++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:30:35 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: ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.ins Phases from ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.phi Native data from ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.hkl Listing output to ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.lst Phases output to ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.phs Poly-Ala trace output to ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 61 Allowed origin shift code: 8 70518 Reflections read from file ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.phi 70518 Reflections read from file ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.hkl 70518 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by 0.000017h^2 +0.000017k^2 -0.000050l^2 +0.000000kl +0.000000hl +0.000017hk 42 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 256 x 256 x 22 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.659 = 0.298, Contrast = 0.322, Connect. = 0.676 for dens.mod. cycle 1 = 0.300, Contrast = 0.403, Connect. = 0.674 for dens.mod. cycle 2 = 0.300, Contrast = 0.518, Connect. = 0.714 for dens.mod. cycle 3 = 0.300, Contrast = 0.585, Connect. = 0.733 for dens.mod. cycle 4 = 0.300, Contrast = 0.628, Connect. = 0.744 for dens.mod. cycle 5 = 0.300, Contrast = 0.656, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.675, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.690, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.701, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.709, Connect. = 0.768 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4989 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 1039 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 23.648 1.892 0.714 0.891 1.000 0.923 CB 1.453 B: 9 12.420 1.903 0.463 0.878 0.875 0.750 CA 1.308 C: 10 21.078 1.960 0.611 0.927 1.000 1.000 CB 1.560 9 residues pruned to eliminate duplicates D: 14 21.882 2.043 0.761 0.839 0.923 0.769 CB 1.365 10 residues pruned to eliminate duplicates E: 17 21.326 1.922 0.766 0.853 0.938 0.812 CB 1.237 F: 13 24.107 2.025 0.688 0.902 1.000 0.833 CB 1.452 G: 13 31.497 1.979 1.300 0.852 1.000 0.417 CB 1.477 13 residues pruned to eliminate duplicates H: 12 19.297 1.807 0.860 0.890 0.909 0.727 CB 1.370 I: 15 20.738 1.880 0.615 0.890 1.000 0.857 CA 1.313 14 residues pruned to eliminate duplicates J: 11 14.667 1.764 0.645 0.818 0.900 0.500 CB 1.348 K: 12 24.515 1.841 0.954 0.906 1.000 0.636 CA 1.462 L: 12 26.053 1.899 1.016 0.906 0.909 0.727 CA 1.605 12 residues pruned to eliminate duplicates M: 21 23.061 1.912 0.933 0.600 0.900 0.550 CB 1.410 11 residues pruned to eliminate duplicates N: 18 24.453 1.920 1.007 0.799 0.941 0.765 CB 1.258 O: 11 13.304 1.859 0.611 0.836 0.900 0.800 CB 1.168 P: 12 21.443 2.047 0.863 0.786 0.909 0.545 CB 1.450 Q: 15 13.909 1.830 0.572 0.813 0.929 0.571 CB 1.060 14 residues pruned to eliminate duplicates R: 12 17.337 1.801 0.744 0.897 1.000 0.909 CA 1.192 12 residues pruned to eliminate duplicates S: 13 17.455 1.848 0.382 0.923 0.917 0.833 CA 1.512 T: 11 21.230 2.019 1.048 0.890 0.900 0.300 CA 1.298 U: 14 24.120 2.014 0.515 0.919 1.000 0.846 CB 1.545 13 residues pruned to eliminate duplicates V: 17 21.120 1.989 1.112 0.485 0.875 0.562 CB 1.459 W: 11 29.778 1.913 1.063 0.904 1.000 0.800 CB 1.699 11 residues pruned to eliminate duplicates X: 9 28.389 2.224 0.751 0.924 1.000 0.875 CA 1.811 9 residues pruned to eliminate duplicates Y: 12 16.874 1.822 1.213 0.542 1.000 0.818 CB 1.211 Z: 20 14.461 1.922 0.545 0.436 0.895 0.579 CB 1.334 Z: 13 20.759 2.061 0.556 0.905 0.917 0.833 CB 1.450 13 residues pruned to eliminate duplicates Z: 11 22.201 2.012 0.741 0.909 1.000 0.900 CA 1.423 11 residues pruned to eliminate duplicates Z: 16 33.249 2.109 1.271 0.900 0.933 0.800 CB 1.372 17 residues pruned to eliminate duplicates Z: 9 8.347 1.900 0.227 0.604 0.875 0.750 CB 1.310 Z: 16 5.702 1.655 0.428 0.261 0.800 0.400 CB 1.023 Z: 12 29.179 2.136 0.714 0.919 1.000 0.909 CB 1.694 15 residues pruned to eliminate duplicates Z: 11 17.927 1.739 0.935 0.840 0.900 0.800 CA 1.397 Z: 8 13.516 2.097 0.327 0.873 1.000 0.857 CB 1.337 8 residues pruned to eliminate duplicates Z: 13 16.535 1.974 0.267 0.809 1.000 0.583 CB 1.458 Z: 10 19.734 1.990 0.628 0.903 1.000 1.000 CB 1.447 11 residues pruned to eliminate duplicates Z: 19 23.104 1.940 0.703 0.845 0.944 0.500 CB 1.298 Z: 13 24.659 1.965 0.870 0.788 1.000 0.500 CB 1.504 12 residues pruned to eliminate duplicates Z: 11 13.644 1.886 0.488 0.821 0.900 0.900 CB 1.293 11 residues pruned to eliminate duplicates Z: 15 27.705 1.947 0.925 0.912 1.000 0.929 CA 1.399 14 residues pruned to eliminate duplicates Z: 11 29.431 2.074 1.048 0.877 1.000 0.700 CB 1.591 12 residues pruned to eliminate duplicates Z: 6 11.670 1.954 0.703 0.683 1.000 0.600 CB 1.326 Z: 9 10.134 1.876 0.329 0.820 0.875 0.750 CB 1.245 Z: 11 13.177 1.900 0.294 0.846 1.000 0.800 CA 1.259 Z: 16 19.817 1.906 0.616 0.934 0.933 0.933 CA 1.241 Z: 19 18.725 1.996 0.598 0.857 0.778 0.667 CA 1.311 19 residues pruned to eliminate duplicates Z: 10 19.202 1.899 0.754 0.853 0.889 0.667 N 1.598 11 residues pruned to eliminate duplicates Z: 10 21.977 1.885 1.174 0.864 0.889 0.667 CA 1.475 10 residues pruned to eliminate duplicates Z: 12 12.585 1.849 0.512 0.507 0.909 0.455 CA 1.483 9 residues pruned to eliminate duplicates Z: 9 9.245 1.907 0.252 0.597 0.875 0.750 CB 1.426 9 residues pruned to eliminate duplicates Z: 13 23.363 2.077 0.851 0.805 0.917 0.750 CB 1.466 13 residues pruned to eliminate duplicates Z: 25 25.973 1.977 0.985 0.559 0.875 0.708 CB 1.458 16 residues pruned to eliminate duplicates Z: 13 28.039 1.970 0.982 0.881 1.000 0.500 CA 1.501 13 residues pruned to eliminate duplicates Z: 23 15.422 2.018 0.272 0.547 0.864 0.682 CA 1.417 12 residues pruned to eliminate duplicates Z: 12 5.173 1.639 0.382 0.304 0.818 0.364 CB 1.047 Z: 13 21.763 1.779 0.996 0.910 0.833 0.833 CA 1.505 11 residues pruned to eliminate duplicates Z: 16 20.493 1.876 0.931 0.897 0.867 0.533 CB 1.206 15 residues pruned to eliminate duplicates Z: 17 22.544 1.969 0.861 0.877 0.938 0.750 CB 1.191 17 residues pruned to eliminate duplicates Z: 23 18.316 2.046 0.639 0.478 0.818 0.545 CB 1.455 24 residues pruned to eliminate duplicates Z: 6 4.982 1.778 0.772 0.509 1.000 0.400 CB 0.701 6 residues pruned to eliminate duplicates Z: 12 26.218 2.017 0.833 0.927 1.000 0.909 CB 1.498 11 residues pruned to eliminate duplicates Z: 20 20.290 1.756 0.676 0.852 1.000 0.789 CA 1.170 Z: 22 15.625 1.820 0.842 0.452 0.762 0.524 CB 1.402 22 residues pruned to eliminate duplicates Z: 9 9.321 1.903 0.574 0.795 0.750 0.750 CA 1.133 9 residues pruned to eliminate duplicates Z: 18 29.375 1.957 1.250 0.891 1.000 0.588 CB 1.163 18 residues pruned to eliminate duplicates Z: 19 27.762 1.892 1.072 0.884 0.833 0.500 CB 1.448 12 residues pruned to eliminate duplicates Z: 8 10.461 1.918 0.210 0.906 1.000 0.571 CB 1.213 8 residues pruned to eliminate duplicates Z: 16 25.457 1.902 0.726 0.915 1.000 1.000 CA 1.415 20 residues pruned to eliminate duplicates Z: 11 18.662 2.045 0.839 0.918 0.800 0.600 CA 1.384 11 residues pruned to eliminate duplicates Z: 11 22.564 2.027 0.817 0.902 1.000 0.900 CA 1.381 9 residues pruned to eliminate duplicates Z: 20 17.649 1.979 0.825 0.521 0.842 0.579 CB 1.304 20 residues pruned to eliminate duplicates Z: 13 21.669 2.005 0.430 0.892 1.000 0.917 CA 1.567 13 residues pruned to eliminate duplicates Z: 17 16.926 1.767 0.597 0.884 0.938 0.875 CA 1.155 17 residues pruned to eliminate duplicates Z: 10 19.974 2.010 0.849 0.904 1.000 0.778 CB 1.276 Z: 12 16.661 1.823 0.921 0.927 1.000 0.455 CA 1.005 Z: 9 8.321 1.652 0.443 0.519 1.000 0.500 CB 1.211 Z: 12 17.683 1.730 0.921 0.866 1.000 0.818 CB 1.175 10 residues pruned to eliminate duplicates Z: 13 19.512 1.873 0.755 0.833 0.917 0.750 CA 1.402 13 residues pruned to eliminate duplicates Z: 11 21.971 1.833 0.822 0.855 1.000 0.900 CB 1.536 11 residues pruned to eliminate duplicates Z: 12 16.414 1.841 0.338 0.890 1.000 0.909 CB 1.446 10 residues pruned to eliminate duplicates Z: 8 6.992 1.746 0.648 0.494 1.000 0.857 CA 0.924 Z: 6 4.994 1.895 0.223 0.545 0.800 0.400 CB 1.153 Z: 11 15.153 1.812 0.492 0.897 1.000 1.000 CB 1.268 11 residues pruned to eliminate duplicates Z: 7 6.327 1.772 0.103 0.725 0.833 0.500 CA 1.295 12 residues pruned to eliminate duplicates Z: 16 27.404 1.908 1.352 0.900 1.000 0.467 CB 1.126 16 residues pruned to eliminate duplicates Z: 12 20.087 1.755 1.406 0.840 0.909 0.727 N 1.178 12 residues pruned to eliminate duplicates Z: 19 24.606 1.937 0.752 0.884 0.944 0.778 CA 1.307 17 residues pruned to eliminate duplicates Z: 13 20.847 1.961 0.698 0.856 1.000 0.917 CA 1.333 13 residues pruned to eliminate duplicates Z: 8 17.714 1.934 0.773 0.883 1.000 0.857 CA 1.411 8 residues pruned to eliminate duplicates Z: 12 23.926 1.906 0.943 0.911 1.000 0.727 CA 1.380 12 residues pruned to eliminate duplicates Z: 10 22.974 2.063 1.139 0.850 1.000 0.778 CB 1.285 10 residues pruned to eliminate duplicates Z: 16 7.269 1.758 0.687 0.313 0.667 0.333 CB 1.168 16 residues pruned to eliminate duplicates Z: 10 23.741 2.047 1.040 0.902 1.000 0.556 CB 1.351 10 residues pruned to eliminate duplicates Z: 9 20.524 1.907 1.102 0.773 0.875 0.750 CB 1.626 9 residues pruned to eliminate duplicates Z: 44 31.099 1.883 0.905 0.607 0.907 0.488 CB 1.317 47 residues pruned to eliminate duplicates Z: 11 12.125 2.006 0.239 0.884 1.000 0.900 CA 1.114 11 residues pruned to eliminate duplicates Z: 7 8.317 1.734 0.762 0.618 0.833 0.667 CB 1.193 7 residues pruned to eliminate duplicates Z: 9 7.267 1.653 0.850 0.524 0.625 0.500 CA 1.312 Z: 62 35.462 1.914 0.857 0.505 0.885 0.557 CA 1.435 46 residues pruned to eliminate duplicates Z: 19 21.784 1.859 0.827 0.839 0.944 0.333 CA 1.196 19 residues pruned to eliminate duplicates Z: 30 29.781 2.011 1.097 0.501 0.931 0.517 CA 1.407 30 residues pruned to eliminate duplicates Z: 35 22.301 1.979 0.900 0.640 0.824 0.500 CB 1.084 31 residues pruned to eliminate duplicates Z: 7 8.864 1.760 0.574 0.763 1.000 0.500 N 1.034 7 residues pruned to eliminate duplicates Z: 18 21.895 2.043 0.701 0.848 0.882 0.765 CB 1.285 18 residues pruned to eliminate duplicates Z: 13 19.611 1.745 0.797 0.856 0.917 0.583 CA 1.453 13 residues pruned to eliminate duplicates Z: 13 24.279 2.022 0.832 0.920 1.000 1.000 CA 1.333 13 residues pruned to eliminate duplicates Z: 9 11.645 1.962 0.431 0.760 0.875 0.875 CA 1.330 9 residues pruned to eliminate duplicates Z: 8 7.321 1.866 0.788 0.288 0.857 0.714 CB 1.228 8 residues pruned to eliminate duplicates Z: 9 9.488 2.048 0.461 0.700 0.875 0.625 CB 1.068 9 residues pruned to eliminate duplicates Z: 20 23.129 1.842 0.918 0.764 0.895 0.737 CB 1.328 20 residues pruned to eliminate duplicates Z: 7 7.197 1.688 0.671 0.640 0.833 0.667 CA 1.097 7 residues pruned to eliminate duplicates Z: 10 13.382 1.943 0.135 0.864 1.000 0.889 CA 1.482 11 residues pruned to eliminate duplicates Z: 12 14.069 1.732 0.743 0.885 1.000 0.636 CB 1.014 Z: 11 21.595 2.058 0.998 0.930 1.000 0.500 CB 1.161 5 residues pruned to eliminate duplicates Z: 19 21.695 1.927 0.819 0.832 0.889 0.667 CB 1.232 19 residues pruned to eliminate duplicates Z: 11 12.124 1.804 0.400 0.812 1.000 0.600 CB 1.157 11 residues pruned to eliminate duplicates Z: 15 15.159 1.955 0.780 0.741 0.857 0.786 CB 1.094 15 residues pruned to eliminate duplicates Z: 12 20.225 1.895 0.898 0.860 0.909 0.727 CA 1.372 13 residues pruned to eliminate duplicates Z: 11 15.289 1.649 0.781 0.889 1.000 0.800 CA 1.185 Z: 16 17.122 1.999 0.808 0.383 0.933 0.400 CB 1.484 16 residues pruned to eliminate duplicates Z: 12 6.698 1.626 0.712 0.258 0.909 0.727 CB 1.054 12 residues pruned to eliminate duplicates Z: 7 7.757 1.878 0.516 0.414 0.833 0.667 CA 1.461 7 residues pruned to eliminate duplicates Z: 16 6.045 1.609 0.469 0.306 0.733 0.467 CB 1.117 Z: 18 28.440 1.956 1.224 0.814 1.000 0.647 CA 1.207 18 residues pruned to eliminate duplicates Z: 19 17.491 1.926 0.804 0.626 0.833 0.500 CA 1.265 14 residues pruned to eliminate duplicates Z: 12 15.637 1.853 0.944 0.895 1.000 0.818 CB 0.938 12 residues pruned to eliminate duplicates Z: 14 14.689 1.929 0.323 0.865 0.923 0.923 CB 1.267 14 residues pruned to eliminate duplicates Z: 11 18.172 1.886 0.699 0.899 1.000 0.800 CA 1.282 11 residues pruned to eliminate duplicates Z: 18 31.427 1.900 1.028 0.859 0.941 0.353 CA 1.547 18 residues pruned to eliminate duplicates Z: 8 7.755 1.810 1.006 0.482 0.714 0.571 CB 1.151 6 residues pruned to eliminate duplicates Z: 46 29.067 1.955 0.889 0.619 0.933 0.556 CB 1.123 42 residues pruned to eliminate duplicates Z: 14 15.670 1.901 0.916 0.729 0.923 0.538 CB 1.052 14 residues pruned to eliminate duplicates Z: 15 23.195 1.918 1.015 0.916 0.857 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 6 9.531 1.787 0.241 0.862 1.000 1.000 CB 1.411 13 residues pruned to eliminate duplicates Z: 16 12.600 1.966 0.721 0.453 0.867 0.533 CB 1.165 16 residues pruned to eliminate duplicates Z: 19 17.220 1.963 0.771 0.466 0.833 0.667 CB 1.450 19 residues pruned to eliminate duplicates Z: 16 27.036 2.035 0.972 0.891 0.933 0.733 CB 1.340 16 residues pruned to eliminate duplicates Z: 12 12.039 1.901 0.297 0.859 0.909 0.636 CB 1.192 13 residues pruned to eliminate duplicates Z: 28 16.767 1.806 0.714 0.511 0.852 0.370 CB 1.210 11 residues pruned to eliminate duplicates Z: 18 22.949 1.869 0.858 0.838 0.941 0.706 CB 1.273 16 residues pruned to eliminate duplicates Z: 7 5.537 1.681 0.122 0.856 0.833 0.333 CB 1.061 Z: 19 5.745 1.702 0.733 0.227 0.667 0.389 CB 0.947 16 residues pruned to eliminate duplicates Z: 10 12.710 1.750 0.823 0.560 1.000 0.889 CA 1.252 10 residues pruned to eliminate duplicates Z: 12 8.991 1.629 0.617 0.838 0.818 0.545 CA 0.940 7 residues pruned to eliminate duplicates Z: 15 19.585 1.898 0.615 0.889 1.000 0.857 CA 1.230 15 residues pruned to eliminate duplicates Z: 13 17.933 1.782 0.584 0.880 1.000 0.833 CB 1.329 12 residues pruned to eliminate duplicates Z: 11 20.156 2.133 0.586 0.860 0.900 0.700 CB 1.540 11 residues pruned to eliminate duplicates Z: 6 4.794 1.596 0.754 0.493 0.800 0.400 CB 0.963 6 residues pruned to eliminate duplicates Z: 21 32.020 2.049 0.844 0.668 0.950 0.700 CA 1.707 21 residues pruned to eliminate duplicates Z: 12 14.668 1.652 0.881 0.754 1.000 0.636 CA 1.134 12 residues pruned to eliminate duplicates Z: 14 5.952 1.592 0.859 0.393 0.769 0.308 CB 0.812 Z: 12 22.274 1.921 1.230 0.895 0.909 0.818 CB 1.236 11 residues pruned to eliminate duplicates Z: 11 21.288 1.864 0.634 0.938 1.000 0.800 CA 1.538 Z: 10 8.988 1.373 1.209 0.809 1.000 0.778 CB 0.754 10 residues pruned to eliminate duplicates Z: 19 19.572 1.793 0.849 0.668 0.944 0.667 N 1.262 19 residues pruned to eliminate duplicates Z: 12 12.244 1.851 0.661 0.828 0.818 0.455 CA 1.105 12 residues pruned to eliminate duplicates Z: 20 23.064 1.948 0.847 0.810 0.947 0.737 CA 1.186 20 residues pruned to eliminate duplicates Z: 11 14.237 1.813 0.703 0.900 0.900 0.800 CA 1.157 11 residues pruned to eliminate duplicates Z: 12 23.936 1.814 0.966 0.908 1.000 0.818 CA 1.438 12 residues pruned to eliminate duplicates Z: 7 8.474 1.713 0.617 0.565 1.000 0.833 CA 1.173 7 residues pruned to eliminate duplicates Z: 13 15.654 1.959 0.612 0.717 0.833 0.500 CB 1.411 13 residues pruned to eliminate duplicates Z: 12 25.808 2.033 0.718 0.870 1.000 0.636 CA 1.626 13 residues pruned to eliminate duplicates Z: 6 2.261 1.736 0.250 0.259 0.600 0.200 CB 1.022 Z: 18 26.075 1.926 0.872 0.876 0.941 0.588 CA 1.354 18 residues pruned to eliminate duplicates Z: 27 26.966 2.034 0.878 0.687 0.962 0.538 CB 1.213 27 residues pruned to eliminate duplicates Z: 9 10.259 1.673 0.651 0.501 0.875 0.625 CA 1.500 10 residues pruned to eliminate duplicates Z: 19 14.564 1.925 1.157 0.743 0.833 0.444 CB 0.798 12 residues pruned to eliminate duplicates Z: 12 17.898 1.842 0.810 0.903 0.909 0.545 CB 1.269 12 residues pruned to eliminate duplicates Z: 11 9.993 1.813 0.698 0.415 0.800 0.600 CB 1.401 19 residues pruned to eliminate duplicates Z: 9 5.657 1.616 0.671 0.404 0.750 0.375 CB 1.092 Z: 7 5.226 1.900 0.008 0.563 1.000 0.833 CB 1.048 6 residues pruned to eliminate duplicates Z: 9 4.291 1.616 0.331 0.286 0.875 0.625 CA 1.026 Z: 9 8.732 1.744 0.746 0.533 0.875 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 11 20.427 1.948 0.689 0.868 1.000 0.800 CA 1.435 11 residues pruned to eliminate duplicates Z: 12 25.065 1.910 0.989 0.920 1.000 0.909 CB 1.401 11 residues pruned to eliminate duplicates Z: 11 15.345 1.819 0.884 0.862 1.000 1.000 CB 1.040 9 residues pruned to eliminate duplicates Z: 11 16.938 1.920 0.667 0.849 0.900 0.500 CB 1.378 11 residues pruned to eliminate duplicates Z: 12 16.677 1.739 0.514 0.878 1.000 0.727 CA 1.386 12 residues pruned to eliminate duplicates Z: 13 15.151 1.633 0.937 0.739 0.917 0.583 O 1.218 13 residues pruned to eliminate duplicates Z: 7 3.682 1.486 0.603 0.485 0.833 0.500 N 0.769 Z: 15 17.013 1.859 0.380 0.918 0.929 0.786 CA 1.346 15 residues pruned to eliminate duplicates Z: 12 16.219 2.007 0.651 0.865 0.909 0.545 CB 1.189 11 residues pruned to eliminate duplicates Z: 6 8.724 1.817 1.180 0.624 0.800 0.600 CB 1.096 6 residues pruned to eliminate duplicates Z: 17 24.854 2.037 0.994 0.870 0.938 0.750 CB 1.192 17 residues pruned to eliminate duplicates Z: 12 6.711 1.827 0.349 0.591 0.636 0.364 CB 1.183 12 residues pruned to eliminate duplicates Z: 14 18.659 1.863 0.932 0.825 1.000 0.462 CB 1.085 14 residues pruned to eliminate duplicates Z: 14 11.143 1.699 0.260 0.824 0.923 0.769 CA 1.182 14 residues pruned to eliminate duplicates Z: 6 4.991 1.533 -0.152 0.849 1.000 0.800 CB 1.272 Z: 50 34.353 1.965 0.719 0.528 0.980 0.653 CB 1.443 52 residues pruned to eliminate duplicates Z: 10 16.272 1.940 0.472 0.850 1.000 0.667 CB 1.407 10 residues pruned to eliminate duplicates Z: 7 5.839 1.640 0.715 0.472 0.833 0.667 CB 1.046 Z: 13 31.235 2.091 1.219 0.870 0.917 0.667 CB 1.547 13 residues pruned to eliminate duplicates Z: 9 3.699 1.598 0.321 0.292 0.625 0.375 CA 1.252 9 residues pruned to eliminate duplicates Z: 7 10.468 1.828 0.686 0.618 1.000 0.500 CB 1.240 Z: 9 9.757 1.657 0.494 0.758 1.000 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 11 27.253 2.007 1.417 0.897 0.800 0.600 CB 1.590 11 residues pruned to eliminate duplicates Z: 14 15.197 1.797 0.748 0.900 0.923 0.615 CB 1.038 Z: 12 8.269 1.523 0.713 0.870 0.909 0.818 CB 0.767 Z: 12 18.271 1.895 0.606 0.801 1.000 0.273 CB 1.391 15 residues pruned to eliminate duplicates Z: 12 13.386 1.837 0.468 0.894 1.000 0.909 CB 1.074 12 residues pruned to eliminate duplicates Z: 13 20.141 2.067 0.946 0.831 0.833 0.500 CB 1.304 13 residues pruned to eliminate duplicates Z: 13 24.916 1.995 0.648 0.922 1.000 1.000 CA 1.539 13 residues pruned to eliminate duplicates Z: 9 8.553 1.666 0.569 0.834 1.000 0.625 CB 0.868 9 residues pruned to eliminate duplicates Z: 12 18.006 1.695 0.638 0.906 1.000 0.545 CA 1.391 12 residues pruned to eliminate duplicates Z: 8 7.603 1.747 0.822 0.489 1.000 0.714 CB 0.913 Z: 14 27.382 1.938 1.109 0.884 1.000 0.846 CA 1.343 14 residues pruned to eliminate duplicates Z: 6 3.089 1.455 0.021 0.599 0.800 0.600 N 1.058 Z: 12 14.028 1.843 0.298 0.885 1.000 0.818 CB 1.276 13 residues pruned to eliminate duplicates Z: 24 15.089 1.950 0.715 0.584 0.826 0.261 CB 1.050 24 residues pruned to eliminate duplicates Z: 6 13.445 1.808 1.159 0.681 1.000 1.000 CA 1.305 6 residues pruned to eliminate duplicates Z: 8 6.104 1.895 0.073 0.645 0.857 0.571 CB 1.156 8 residues pruned to eliminate duplicates Z: 11 16.325 1.841 0.418 0.915 1.000 0.500 CA 1.397 11 residues pruned to eliminate duplicates Z: 15 15.087 1.832 0.606 0.808 0.929 0.643 CB 1.128 15 residues pruned to eliminate duplicates Z: 8 5.402 1.680 0.504 0.543 0.714 0.286 CB 1.084 Z: 16 20.119 2.028 0.907 0.876 0.867 0.267 CB 1.126 16 residues pruned to eliminate duplicates Z: 16 29.974 1.895 1.112 0.927 1.000 0.600 CA 1.355 16 residues pruned to eliminate duplicates Z: 12 28.964 2.060 1.022 0.933 1.000 0.909 CA 1.463 12 residues pruned to eliminate duplicates 6 0.856 1.385 0.420 0.488 0.400 0.400 CB 0.492 ? Z: 16 31.262 1.940 1.178 0.848 0.933 0.467 CB 1.518 16 residues pruned to eliminate duplicates Z: 10 11.882 1.575 0.733 0.839 0.889 0.667 CB 1.220 10 residues pruned to eliminate duplicates Z: 17 27.345 1.925 1.019 0.840 1.000 0.750 CA 1.312 17 residues pruned to eliminate duplicates Z: 7 4.835 1.399 0.777 0.584 1.000 0.333 CB 0.732 Z: 12 15.248 1.725 0.408 0.909 1.000 0.818 CA 1.344 12 residues pruned to eliminate duplicates Z: 6 7.463 1.677 0.847 0.691 0.800 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 11 18.585 1.869 0.982 0.893 0.900 0.600 CB 1.265 12 residues pruned to eliminate duplicates Z: 15 4.276 1.612 0.292 0.228 0.714 0.429 CB 1.054 15 residues pruned to eliminate duplicates Z: 13 12.531 1.700 0.530 0.903 0.917 0.833 CB 1.082 13 residues pruned to eliminate duplicates Z: 11 7.351 1.731 0.453 0.890 1.000 0.800 CB 0.664 11 residues pruned to eliminate duplicates Z: 7 8.842 1.476 1.260 0.658 0.833 0.833 O 1.121 7 residues pruned to eliminate duplicates Z: 19 21.176 1.895 0.597 0.854 0.944 0.833 CA 1.289 19 residues pruned to eliminate duplicates Z: 9 7.118 1.684 0.643 0.628 0.750 0.500 CB 1.076 9 residues pruned to eliminate duplicates Z: 11 13.527 1.712 0.445 0.857 1.000 0.600 CA 1.274 11 residues pruned to eliminate duplicates Z: 7 6.105 1.780 0.704 0.724 0.667 0.333 CA 1.007 7 residues pruned to eliminate duplicates Z: 12 10.371 1.857 0.744 0.844 0.818 0.455 CB 0.879 12 residues pruned to eliminate duplicates Z: 12 9.989 1.605 0.426 0.874 1.000 0.818 CB 0.958 12 residues pruned to eliminate duplicates Z: 12 12.156 1.657 0.669 0.878 0.909 0.545 CB 1.058 12 residues pruned to eliminate duplicates Z: 24 29.700 1.977 1.126 0.566 0.913 0.522 CB 1.513 24 residues pruned to eliminate duplicates Z: 14 11.228 1.707 0.834 0.569 0.846 0.538 CB 1.100 16 residues pruned to eliminate duplicates Z: 13 22.153 1.925 0.898 0.870 1.000 0.667 CB 1.278 18 residues pruned to eliminate duplicates Z: 10 13.067 1.619 0.713 0.872 1.000 0.667 CB 1.144 10 residues pruned to eliminate duplicates 7 1.356 1.609 0.018 0.364 0.667 0.500 CB 0.587 ? Z: 10 25.737 1.942 0.956 0.885 1.000 0.667 CA 1.631 11 residues pruned to eliminate duplicates Z: 11 17.231 2.202 0.523 0.863 0.900 0.800 CB 1.324 11 residues pruned to eliminate duplicates Z: 10 18.791 2.075 0.713 0.897 1.000 0.889 CA 1.261 10 residues pruned to eliminate duplicates Z: 15 28.237 1.839 0.981 0.915 1.000 0.786 CA 1.464 15 residues pruned to eliminate duplicates Z: 16 20.084 1.715 0.938 0.863 1.000 0.800 CB 1.145 14 residues pruned to eliminate duplicates Z: 10 10.159 1.662 0.585 0.914 1.000 0.889 CB 0.909 Z: 11 15.627 1.757 0.793 0.811 0.900 0.600 CA 1.330 9 residues pruned to eliminate duplicates Z: 19 20.664 1.870 0.795 0.836 0.889 0.556 CA 1.221 14 residues pruned to eliminate duplicates Z: 9 9.191 1.803 0.809 0.392 0.750 0.375 CA 1.489 9 residues pruned to eliminate duplicates Z: 13 14.840 1.722 0.635 0.852 1.000 0.583 CB 1.126 13 residues pruned to eliminate duplicates Z: 12 15.976 1.833 0.477 0.874 1.000 0.909 CB 1.295 12 residues pruned to eliminate duplicates Z: 18 20.364 1.942 0.706 0.883 0.882 0.588 CB 1.222 18 residues pruned to eliminate duplicates Z: 25 24.292 2.078 0.876 0.684 0.875 0.500 CB 1.228 21 residues pruned to eliminate duplicates Z: 24 15.720 1.864 0.895 0.494 0.870 0.391 CB 1.073 20 residues pruned to eliminate duplicates Z: 13 19.033 1.942 0.893 0.929 1.000 0.750 CB 1.046 13 residues pruned to eliminate duplicates Z: 12 11.793 1.697 0.443 0.846 1.000 0.636 CB 1.079 12 residues pruned to eliminate duplicates Z: 28 13.271 1.793 0.593 0.434 0.852 0.556 CB 1.124 28 residues pruned to eliminate duplicates Z: 22 17.765 1.925 0.565 0.685 0.952 0.667 CB 1.140 20 residues pruned to eliminate duplicates Z: 19 17.521 1.807 0.469 0.818 0.944 0.833 CA 1.250 19 residues pruned to eliminate duplicates Z: 12 16.738 1.871 0.509 0.867 1.000 0.909 CB 1.307 14 residues pruned to eliminate duplicates Z: 13 7.597 1.679 0.355 0.435 0.833 0.583 CB 1.237 13 residues pruned to eliminate duplicates Z: 6 7.491 1.544 0.930 0.760 1.000 0.800 CB 0.892 6 residues pruned to eliminate duplicates Z: 6 5.496 1.664 0.445 0.679 0.800 0.800 O 1.083 Z: 14 6.119 1.386 0.395 0.522 0.923 0.462 N 0.931 Z: 14 19.805 1.896 0.796 0.929 0.923 0.615 CB 1.222 14 residues pruned to eliminate duplicates Z: 31 17.803 1.883 0.659 0.485 0.867 0.567 CB 1.219 34 residues pruned to eliminate duplicates Z: 12 17.871 1.955 0.559 0.865 1.000 0.727 CB 1.296 12 residues pruned to eliminate duplicates Z: 14 16.914 1.951 0.401 0.813 1.000 0.615 CA 1.307 14 residues pruned to eliminate duplicates Z: 7 6.044 1.271 0.580 0.789 1.000 0.500 N 0.953 Z: 10 11.149 1.729 0.833 0.773 1.000 0.667 CB 0.921 10 residues pruned to eliminate duplicates Z: 16 15.347 2.000 0.549 0.622 0.867 0.400 CA 1.315 15 residues pruned to eliminate duplicates Z: 13 22.221 2.011 0.831 0.770 0.917 0.833 CB 1.497 13 residues pruned to eliminate duplicates Z: 15 11.964 1.981 0.387 0.404 1.000 0.571 CB 1.287 16 residues pruned to eliminate duplicates Z: 14 16.455 1.693 0.504 0.835 1.000 0.692 CA 1.342 14 residues pruned to eliminate duplicates Z: 16 10.267 1.898 0.784 0.393 0.733 0.533 CB 1.196 16 residues pruned to eliminate duplicates Z: 7 5.374 1.213 0.710 0.761 1.000 0.667 C 0.839 Z: 12 17.785 1.875 1.003 0.829 1.000 0.455 CB 1.074 12 residues pruned to eliminate duplicates Z: 12 20.574 1.923 1.094 0.859 0.909 0.636 CB 1.248 12 residues pruned to eliminate duplicates Z: 13 24.512 1.913 1.024 0.902 1.000 0.583 CA 1.304 13 residues pruned to eliminate duplicates Z: 12 8.487 1.997 -0.026 0.848 0.727 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 19 16.112 1.924 0.567 0.820 0.833 0.778 CA 1.146 19 residues pruned to eliminate duplicates Z: 22 28.074 1.939 0.859 0.736 1.000 0.667 CA 1.375 16 residues pruned to eliminate duplicates Z: 9 2.653 1.478 0.355 0.407 0.750 0.375 CB 0.688 9 residues pruned to eliminate duplicates Z: 9 8.367 1.720 0.220 0.861 0.875 0.750 CB 1.184 Z: 6 7.675 1.707 0.311 0.702 1.000 0.600 N 1.276 6 residues pruned to eliminate duplicates Z: 6 19.936 1.859 1.254 0.845 1.000 1.000 N 1.582 6 residues pruned to eliminate duplicates Z: 7 6.607 1.443 0.537 0.807 1.000 0.667 CA 0.930 7 residues pruned to eliminate duplicates Z: 10 8.507 1.672 0.497 0.824 0.778 0.556 CB 1.100 9 residues pruned to eliminate duplicates Z: 9 6.419 1.778 0.437 0.356 0.750 0.375 CA 1.383 9 residues pruned to eliminate duplicates Z: 18 20.881 1.822 0.808 0.872 0.882 0.529 CA 1.269 18 residues pruned to eliminate duplicates Z: 11 13.697 1.737 0.703 0.906 1.000 0.800 CB 1.041 11 residues pruned to eliminate duplicates Z: 7 6.404 1.622 0.561 0.593 0.833 0.833 N 1.134 8 residues pruned to eliminate duplicates Z: 8 13.029 1.629 1.007 0.883 1.000 1.000 CB 1.089 8 residues pruned to eliminate duplicates Z: 13 18.939 1.884 0.928 0.845 0.917 0.500 CB 1.220 13 residues pruned to eliminate duplicates Z: 28 25.170 1.828 0.853 0.673 0.852 0.593 CB 1.431 23 residues pruned to eliminate duplicates Z: 10 10.691 1.805 0.556 0.842 0.778 0.333 CB 1.216 10 residues pruned to eliminate duplicates Z: 10 4.695 1.696 0.685 0.254 0.667 0.556 CB 1.089 10 residues pruned to eliminate duplicates Z: 11 11.964 1.764 0.409 0.862 1.000 0.600 CA 1.118 11 residues pruned to eliminate duplicates Z: 6 3.467 1.585 0.283 0.353 0.800 0.600 CA 1.117 Z: 11 30.686 1.948 1.080 0.876 1.000 0.700 O 1.740 11 residues pruned to eliminate duplicates Z: 16 14.259 1.645 0.469 0.903 0.933 0.733 CA 1.164 16 residues pruned to eliminate duplicates Z: 12 24.191 1.942 0.788 0.890 0.909 0.727 CA 1.662 12 residues pruned to eliminate duplicates Z: 14 25.507 1.858 0.913 0.883 1.000 0.538 CB 1.439 14 residues pruned to eliminate duplicates Z: 11 14.391 1.877 0.303 0.900 1.000 0.800 CA 1.329 11 residues pruned to eliminate duplicates Z: 11 28.053 1.953 0.906 0.907 1.000 0.800 CB 1.695 11 residues pruned to eliminate duplicates Z: 7 5.484 1.662 0.161 0.722 1.000 0.667 CB 0.950 Z: 13 27.507 2.023 1.045 0.916 1.000 0.750 CB 1.356 13 residues pruned to eliminate duplicates Z: 7 3.995 1.824 0.411 0.510 0.667 0.500 CB 0.941 7 residues pruned to eliminate duplicates Z: 9 15.367 1.854 0.464 0.879 1.000 0.625 CB 1.451 9 residues pruned to eliminate duplicates Z: 16 16.657 1.698 0.627 0.937 0.933 0.667 CB 1.161 16 residues pruned to eliminate duplicates Z: 13 16.390 1.907 0.879 0.871 0.917 0.667 CB 1.051 13 residues pruned to eliminate duplicates Z: 8 4.233 1.435 0.499 0.466 0.714 0.571 CA 1.078 Z: 18 22.815 1.797 0.826 0.888 0.941 0.824 CA 1.291 18 residues pruned to eliminate duplicates Z: 12 15.845 1.904 0.342 0.888 0.909 0.727 CB 1.482 12 residues pruned to eliminate duplicates Z: 10 15.143 1.969 0.750 0.893 0.889 0.778 CB 1.183 10 residues pruned to eliminate duplicates Z: 16 16.074 1.727 0.570 0.910 0.933 0.667 CB 1.164 16 residues pruned to eliminate duplicates Z: 7 3.068 1.556 0.191 0.430 0.833 0.667 CB 0.872 Z: 7 5.620 1.720 0.806 0.308 0.833 0.667 CB 1.097 Z: 39 20.722 1.876 0.867 0.391 0.868 0.553 CB 1.240 19 residues pruned to eliminate duplicates Z: 11 10.151 1.720 0.807 0.841 0.900 0.800 CB 0.855 11 residues pruned to eliminate duplicates Z: 14 19.410 1.809 0.848 0.846 1.000 0.462 CB 1.196 14 residues pruned to eliminate duplicates Z: 12 6.334 1.635 0.654 0.326 0.818 0.273 CB 1.044 Z: 14 4.909 1.356 0.525 0.370 0.769 0.538 CA 0.984 Z: 14 25.653 1.827 0.984 0.878 1.000 0.692 CB 1.425 14 residues pruned to eliminate duplicates Z: 16 14.236 1.729 0.407 0.900 0.933 0.800 CB 1.156 16 residues pruned to eliminate duplicates Z: 9 4.300 1.696 0.620 0.309 0.625 0.500 CB 1.095 Z: 12 23.298 1.790 1.427 0.932 1.000 0.545 CB 1.128 12 residues pruned to eliminate duplicates Z: 16 26.767 1.910 1.015 0.894 0.933 0.867 CA 1.380 16 residues pruned to eliminate duplicates Z: 11 6.566 1.598 0.478 0.416 0.800 0.500 CB 1.200 9 residues pruned to eliminate duplicates Z: 6 3.109 1.878 0.035 0.474 1.000 0.600 CB 0.734 Z: 10 8.839 1.564 0.393 0.841 1.000 0.889 CA 1.009 10 residues pruned to eliminate duplicates Z: 7 11.192 1.655 1.071 0.899 1.000 0.833 CB 0.953 7 residues pruned to eliminate duplicates Z: 11 3.674 1.494 0.164 0.263 0.700 0.200 O 1.251 7 1.851 1.370 -0.081 0.536 0.833 0.667 CB 0.696 ? Z: 8 6.902 1.621 0.570 0.471 0.857 0.571 CA 1.232 8 residues pruned to eliminate duplicates Z: 17 24.299 2.006 0.909 0.905 0.938 0.688 CB 1.204 17 residues pruned to eliminate duplicates Z: 16 13.811 1.666 0.486 0.862 0.867 0.733 CB 1.220 16 residues pruned to eliminate duplicates Z: 10 15.832 1.791 0.673 0.920 1.000 0.556 CB 1.240 13 residues pruned to eliminate duplicates Z: 11 8.333 1.756 0.275 0.898 1.000 0.800 CB 0.842 11 residues pruned to eliminate duplicates Z: 11 11.183 1.970 0.076 0.854 0.900 0.800 CB 1.370 11 residues pruned to eliminate duplicates Z: 17 17.861 1.684 0.813 0.912 0.938 0.562 CA 1.105 17 residues pruned to eliminate duplicates Z: 11 27.713 2.028 1.054 0.915 1.000 0.900 CA 1.487 11 residues pruned to eliminate duplicates Z: 6 3.413 1.486 -0.060 0.839 1.000 0.800 CB 0.816 6 residues pruned to eliminate duplicates Z: 10 15.129 1.859 0.408 0.871 1.000 0.667 N 1.405 10 residues pruned to eliminate duplicates Z: 13 9.727 1.863 0.338 0.374 1.000 0.917 CB 1.288 13 residues pruned to eliminate duplicates Z: 6 4.309 1.327 1.147 0.590 0.600 0.600 CB 1.034 Z: 6 4.219 1.844 0.800 0.362 0.800 0.600 CA 0.824 Z: 6 3.524 1.319 0.258 0.547 0.800 0.600 CA 1.133 Z: 11 19.720 2.054 0.492 0.898 1.000 1.000 CA 1.456 11 residues pruned to eliminate duplicates Z: 16 11.357 1.849 0.562 0.498 0.733 0.333 CB 1.387 16 residues pruned to eliminate duplicates Z: 6 2.493 1.507 0.728 0.402 0.600 0.400 CB 0.791 Z: 34 23.493 1.939 0.734 0.496 0.909 0.636 CB 1.343 35 residues pruned to eliminate duplicates Z: 7 3.421 1.578 -0.028 0.365 0.833 0.667 CA 1.263 4 residues pruned to eliminate duplicates Z: 14 15.364 1.785 0.990 0.872 0.923 0.538 CA 0.947 14 residues pruned to eliminate duplicates Z: 16 11.035 1.901 0.795 0.420 0.800 0.600 CB 1.135 16 residues pruned to eliminate duplicates Z: 6 3.926 1.518 0.638 0.298 0.800 0.400 CA 1.106 Z: 16 25.628 2.003 1.146 0.891 0.933 0.400 CB 1.186 16 residues pruned to eliminate duplicates Z: 6 5.324 1.626 -0.027 0.786 1.000 0.600 CA 1.170 Z: 6 4.320 1.615 0.436 0.456 0.800 0.800 N 1.089 Z: 6 12.349 1.966 0.572 0.886 1.000 1.000 CA 1.289 6 residues pruned to eliminate duplicates Z: 58 38.479 1.975 0.824 0.640 0.877 0.526 CB 1.415 58 residues pruned to eliminate duplicates Z: 9 8.220 1.767 0.903 0.412 0.875 0.750 CB 1.084 9 residues pruned to eliminate duplicates Z: 26 27.532 1.921 0.943 0.611 1.000 0.480 CA 1.328 27 residues pruned to eliminate duplicates Z: 8 5.468 1.654 0.395 0.523 0.857 0.571 CB 1.021 8 residues pruned to eliminate duplicates Z: 8 9.845 1.844 0.502 0.887 0.857 0.286 CB 1.130 8 residues pruned to eliminate duplicates Z: 16 14.831 1.797 0.616 0.759 1.000 0.733 CB 1.048 16 residues pruned to eliminate duplicates Z: 7 3.724 1.632 0.263 0.831 1.000 0.833 CB 0.554 6 residues pruned to eliminate duplicates Z: 8 5.265 1.476 0.256 0.812 0.714 0.429 CA 1.146 Z: 8 16.111 1.815 0.950 0.854 1.000 0.857 CA 1.270 8 residues pruned to eliminate duplicates Z: 6 4.602 1.249 0.787 0.671 1.000 0.400 N 0.788 Z: 12 22.454 1.982 0.943 0.823 0.909 0.727 CB 1.462 12 residues pruned to eliminate duplicates Z: 18 14.553 1.850 0.796 0.490 0.765 0.412 CB 1.403 18 residues pruned to eliminate duplicates Z: 22 18.608 1.950 0.775 0.524 0.857 0.571 CB 1.337 21 residues pruned to eliminate duplicates Z: 7 5.186 1.920 0.187 0.424 0.833 0.667 CB 1.206 7 residues pruned to eliminate duplicates Z: 11 6.253 1.654 0.350 0.817 0.800 0.500 CB 0.841 11 residues pruned to eliminate duplicates Z: 9 10.179 1.533 0.666 0.750 1.000 0.375 CB 1.128 8 residues pruned to eliminate duplicates Z: 12 20.611 1.739 0.911 0.841 1.000 0.818 CB 1.395 11 residues pruned to eliminate duplicates Z: 10 11.477 1.933 0.686 0.869 0.778 0.556 CB 1.103 10 residues pruned to eliminate duplicates Z: 14 14.595 1.679 0.492 0.883 1.000 1.000 CB 1.169 13 residues pruned to eliminate duplicates Z: 10 25.037 1.928 1.095 0.881 1.000 0.778 CA 1.496 10 residues pruned to eliminate duplicates Z: 15 26.769 1.967 1.011 0.905 0.929 0.500 CB 1.386 15 residues pruned to eliminate duplicates Z: 8 4.035 1.527 0.380 0.838 0.714 0.286 CB 0.757 Z: 28 22.987 1.890 0.834 0.502 0.963 0.593 CB 1.322 25 residues pruned to eliminate duplicates 8 1.960 1.397 0.333 0.261 0.571 0.286 O 0.915 ? Z: 21 5.586 1.550 0.371 0.348 0.850 0.300 CB 0.815 8 residues pruned to eliminate duplicates Z: 9 11.833 1.942 0.647 0.900 1.000 0.750 CB 0.934 9 residues pruned to eliminate duplicates Z: 12 11.830 1.593 0.782 0.887 0.909 0.727 CA 0.997 12 residues pruned to eliminate duplicates Z: 7 2.325 1.378 0.413 0.405 0.667 0.333 N 0.807 7 residues pruned to eliminate duplicates Z: 8 4.171 1.364 0.825 0.487 0.571 0.571 O 1.122 6 residues pruned to eliminate duplicates Z: 20 19.388 1.876 0.606 0.633 0.947 0.474 CB 1.376 20 residues pruned to eliminate duplicates Z: 27 27.027 1.873 1.021 0.738 0.846 0.538 CB 1.337 28 residues pruned to eliminate duplicates Z: 31 20.730 1.963 0.918 0.433 0.900 0.500 CB 1.196 31 residues pruned to eliminate duplicates Z: 6 6.105 1.436 0.979 0.685 1.000 0.600 CB 0.811 6 residues pruned to eliminate duplicates Z: 6 3.437 1.509 0.462 0.296 0.800 0.800 CB 1.094 Z: 12 12.676 1.681 0.487 0.907 1.000 0.818 CA 1.086 12 residues pruned to eliminate duplicates Z: 38 18.282 1.821 0.719 0.474 0.838 0.541 CB 1.177 38 residues pruned to eliminate duplicates Z: 7 2.100 1.386 0.282 0.185 0.833 0.333 CB 0.845 Z: 18 20.286 1.874 0.431 0.842 1.000 0.706 CA 1.367 18 residues pruned to eliminate duplicates Z: 10 3.789 1.461 0.432 0.378 0.889 0.333 CB 0.774 Z: 16 19.078 2.132 0.462 0.683 1.000 0.800 CA 1.336 26 residues pruned to eliminate duplicates Z: 7 4.538 1.552 0.869 0.338 0.667 0.500 N 1.143 7 residues pruned to eliminate duplicates Z: 13 18.423 1.968 0.828 0.665 0.917 0.750 CA 1.384 13 residues pruned to eliminate duplicates Z: 8 2.617 1.412 0.257 0.266 0.714 0.429 CB 1.018 Z: 9 3.486 1.455 0.348 0.831 1.000 0.750 CB 0.472 Z: 8 4.810 1.605 0.302 0.430 0.857 0.429 N 1.091 Z: 11 9.183 1.651 0.385 0.831 0.800 0.700 CA 1.193 11 residues pruned to eliminate duplicates Z: 38 17.175 1.817 0.617 0.426 0.838 0.514 CB 1.238 38 residues pruned to eliminate duplicates Z: 13 12.146 1.624 0.539 0.817 1.000 0.833 CA 1.065 13 residues pruned to eliminate duplicates Z: 20 21.841 1.915 0.823 0.715 0.947 0.632 CB 1.247 20 residues pruned to eliminate duplicates Z: 18 7.265 1.597 0.294 0.352 0.882 0.588 CB 1.134 18 residues pruned to eliminate duplicates Z: 11 16.158 1.729 0.492 0.909 1.000 0.800 CA 1.406 11 residues pruned to eliminate duplicates Z: 12 21.756 1.930 0.940 0.888 1.000 0.636 CA 1.262 12 residues pruned to eliminate duplicates Z: 13 12.849 1.674 0.460 0.882 1.000 0.750 CB 1.098 13 residues pruned to eliminate duplicates Z: 18 9.385 1.523 0.541 0.566 0.824 0.706 CB 1.105 17 residues pruned to eliminate duplicates Z: 18 8.483 1.583 0.398 0.278 0.941 0.471 CB 1.270 6 residues pruned to eliminate duplicates Z: 12 3.163 1.397 0.594 0.217 0.636 0.364 CB 0.939 9 residues pruned to eliminate duplicates Z: 6 5.648 1.511 0.668 0.449 0.800 0.600 O 1.320 Z: 6 6.410 1.428 0.334 0.757 1.000 0.600 O 1.197 Z: 11 11.511 1.714 0.763 0.801 0.900 0.600 CB 1.029 12 residues pruned to eliminate duplicates Z: 19 5.698 1.525 0.292 0.304 0.833 0.389 CB 1.017 Z: 13 12.680 1.855 0.671 0.794 0.833 0.500 CB 1.095 13 residues pruned to eliminate duplicates Z: 22 12.371 1.736 0.858 0.375 0.762 0.381 CA 1.255 26 residues pruned to eliminate duplicates Z: 18 15.047 1.829 0.797 0.439 0.941 0.647 CA 1.257 18 residues pruned to eliminate duplicates Z: 6 5.500 1.469 0.626 0.873 0.800 0.800 CB 0.938 6 residues pruned to eliminate duplicates Z: 18 14.615 1.828 0.619 0.788 0.882 0.529 CA 1.054 18 residues pruned to eliminate duplicates Z: 11 17.147 1.822 0.753 0.881 1.000 1.000 CA 1.229 11 residues pruned to eliminate duplicates Z: 6 5.251 1.670 0.286 0.509 0.800 0.800 CA 1.355 Z: 21 20.653 1.946 0.836 0.663 0.950 0.500 CB 1.170 21 residues pruned to eliminate duplicates Z: 6 4.535 1.898 0.245 0.244 0.800 0.400 CA 1.441 6 residues pruned to eliminate duplicates Z: 7 9.439 1.949 0.545 0.829 0.833 0.833 CA 1.156 7 residues pruned to eliminate duplicates Z: 34 31.707 1.969 0.778 0.697 0.939 0.727 CB 1.402 34 residues pruned to eliminate duplicates Z: 7 3.349 1.441 0.549 0.412 0.833 0.500 N 0.806 Z: 7 6.866 1.621 0.758 0.388 0.833 0.500 O 1.329 8 residues pruned to eliminate duplicates Z: 8 8.429 1.833 0.655 0.538 0.857 0.571 CA 1.181 8 residues pruned to eliminate duplicates Z: 6 4.946 1.630 0.018 0.760 0.800 0.800 N 1.322 6 residues pruned to eliminate duplicates Z: 8 4.230 1.824 0.057 0.327 0.714 0.429 CA 1.404 8 residues pruned to eliminate duplicates Z: 13 27.243 2.015 0.881 0.925 1.000 0.750 CB 1.457 13 residues pruned to eliminate duplicates Z: 6 8.293 1.659 0.453 0.752 1.000 0.600 CB 1.229 6 residues pruned to eliminate duplicates Z: 20 11.951 1.794 0.487 0.435 0.842 0.368 CB 1.305 20 residues pruned to eliminate duplicates Z: 11 9.655 1.542 0.942 0.849 0.900 0.600 CB 0.840 11 residues pruned to eliminate duplicates Z: 7 3.679 1.352 1.220 0.336 0.667 0.333 CB 0.898 Z: 6 2.257 1.477 0.243 0.587 0.800 0.800 CB 0.632 Z: 11 7.993 1.598 0.844 0.420 0.800 0.500 N 1.166 5 residues pruned to eliminate duplicates Z: 16 10.135 1.580 0.385 0.872 0.933 0.867 CB 0.934 26 residues pruned to eliminate duplicates Z: 10 15.615 1.761 0.800 0.895 0.889 0.889 CA 1.324 10 residues pruned to eliminate duplicates Z: 12 15.602 1.827 0.591 0.827 1.000 0.818 CA 1.220 17 residues pruned to eliminate duplicates Z: 8 9.813 1.982 0.546 0.826 0.857 0.571 CB 1.065 8 residues pruned to eliminate duplicates Z: 16 7.189 1.527 0.485 0.377 0.933 0.533 CB 1.001 Z: 6 3.747 1.346 0.641 0.439 0.800 0.400 N 1.010 Z: 9 15.835 1.789 0.891 0.811 0.875 0.500 CA 1.443 9 residues pruned to eliminate duplicates Z: 11 16.350 1.758 0.761 0.926 1.000 0.300 CB 1.171 21 residues pruned to eliminate duplicates Z: 12 13.024 1.574 1.021 0.861 1.000 0.636 CB 0.907 13 residues pruned to eliminate duplicates Z: 15 15.352 1.744 0.802 0.876 0.857 0.571 CB 1.107 15 residues pruned to eliminate duplicates Z: 24 8.574 1.685 0.279 0.514 0.696 0.522 CB 1.176 24 residues pruned to eliminate duplicates Z: 6 4.320 1.418 0.766 0.293 0.800 0.400 N 1.216 Z: 8 8.832 1.710 0.342 0.893 1.000 0.429 CB 1.044 8 residues pruned to eliminate duplicates Z: 12 4.761 1.506 0.085 0.263 0.909 0.545 O 1.267 12 residues pruned to eliminate duplicates Z: 8 4.061 1.605 0.507 0.417 0.857 0.571 CB 0.808 Z: 9 15.178 1.774 1.038 0.870 0.875 0.625 CA 1.238 9 residues pruned to eliminate duplicates Z: 15 11.002 1.738 0.601 0.880 0.786 0.429 CB 0.975 15 residues pruned to eliminate duplicates Z: 8 9.625 1.804 0.226 0.885 1.000 1.000 CB 1.188 8 residues pruned to eliminate duplicates Z: 15 7.791 1.696 0.387 0.366 0.857 0.429 CA 1.193 15 residues pruned to eliminate duplicates Z: 22 25.366 1.994 0.998 0.713 1.000 0.524 CB 1.146 22 residues pruned to eliminate duplicates Z: 7 2.703 1.453 0.639 0.449 0.500 0.500 CB 0.976 Z: 8 7.217 1.564 0.874 0.786 1.000 0.714 CB 0.724 8 residues pruned to eliminate duplicates 7 1.751 1.270 0.105 0.525 0.833 0.667 CB 0.597 ? Z: 39 28.845 1.897 0.881 0.560 0.921 0.632 CB 1.343 39 residues pruned to eliminate duplicates Z: 10 3.604 1.376 0.443 0.305 0.889 0.444 CB 0.846 6 1.321 1.348 0.072 0.395 0.800 0.400 CB 0.570 ? Z: 11 19.475 2.114 0.830 0.841 0.900 0.700 CB 1.319 11 residues pruned to eliminate duplicates Z: 14 14.257 1.788 0.790 0.860 1.000 0.846 CB 0.908 14 residues pruned to eliminate duplicates Z: 9 9.061 1.657 0.699 0.917 1.000 0.625 CB 0.803 8 residues pruned to eliminate duplicates Z: 9 2.961 1.548 0.132 0.472 0.750 0.500 CB 0.820 7 residues pruned to eliminate duplicates Z: 6 3.858 1.477 0.406 0.521 0.800 0.400 N 1.017 5 residues pruned to eliminate duplicates Z: 9 4.709 1.202 0.296 0.661 1.000 0.625 C 0.920 Z: 17 23.518 1.960 1.033 0.880 1.000 0.938 CB 1.069 17 residues pruned to eliminate duplicates Z: 11 16.795 1.747 1.145 0.861 1.000 0.600 CB 1.042 11 residues pruned to eliminate duplicates Z: 7 3.314 1.712 0.584 0.293 0.833 0.333 CB 0.755 Z: 24 14.494 1.711 0.566 0.587 0.913 0.478 CB 1.137 24 residues pruned to eliminate duplicates 6 1.804 0.955 0.645 0.720 0.800 0.400 N 0.526 ? Z: 6 3.510 1.450 0.216 0.453 0.800 0.600 N 1.168 Z: 21 7.863 1.650 0.428 0.380 0.800 0.650 CB 1.060 30 residues pruned to eliminate duplicates Z: 12 18.445 1.761 0.715 0.895 1.000 1.000 CB 1.320 12 residues pruned to eliminate duplicates Z: 7 2.979 1.491 0.521 0.198 0.833 0.167 CB 0.922 Z: 11 15.657 1.808 0.680 0.915 0.900 0.900 CB 1.281 11 residues pruned to eliminate duplicates Z: 16 28.448 1.934 0.921 0.921 1.000 0.933 CA 1.392 16 residues pruned to eliminate duplicates Z: 6 8.902 1.623 0.540 0.869 1.000 0.800 CA 1.164 6 residues pruned to eliminate duplicates 7 1.598 1.231 0.490 0.477 0.667 0.500 CB 0.546 ? Z: 8 7.664 1.527 0.483 0.867 1.000 0.571 CA 0.936 8 residues pruned to eliminate duplicates Z: 34 28.727 1.855 0.950 0.594 0.909 0.576 CB 1.390 34 residues pruned to eliminate duplicates Z: 10 10.817 1.922 0.580 0.750 0.889 0.778 CB 1.068 10 residues pruned to eliminate duplicates Z: 11 16.255 1.816 0.644 0.882 1.000 1.000 CA 1.246 11 residues pruned to eliminate duplicates Z: 26 30.218 1.983 0.659 0.773 1.000 0.720 CA 1.443 26 residues pruned to eliminate duplicates Z: 10 4.522 1.578 0.839 0.667 0.778 0.556 CB 0.572 10 residues pruned to eliminate duplicates Z: 6 3.823 1.486 0.276 0.634 0.800 0.800 CA 0.993 Z: 7 3.202 1.435 0.196 0.723 1.000 0.500 CB 0.623 Z: 6 3.203 1.284 0.376 0.600 1.000 0.800 CB 0.737 Z: 13 14.915 1.788 0.546 0.881 1.000 0.833 CA 1.128 13 residues pruned to eliminate duplicates Z: 11 6.464 1.584 0.731 0.412 0.800 0.500 CB 1.022 11 residues pruned to eliminate duplicates 7 1.976 1.387 0.246 0.270 0.667 0.667 N 0.909 ? Z: 11 14.182 1.876 0.712 0.844 0.900 0.800 CA 1.154 11 residues pruned to eliminate duplicates Z: 8 7.631 1.744 0.703 0.483 0.714 0.714 O 1.383 8 residues pruned to eliminate duplicates Z: 19 10.392 1.704 0.257 0.555 0.889 0.500 CB 1.219 19 residues pruned to eliminate duplicates Z: 19 22.698 1.873 0.866 0.670 1.000 0.611 CB 1.308 19 residues pruned to eliminate duplicates Z: 17 9.798 1.766 0.663 0.341 0.812 0.562 CA 1.220 17 residues pruned to eliminate duplicates Z: 12 24.475 2.003 0.936 0.917 1.000 0.909 CB 1.343 12 residues pruned to eliminate duplicates Z: 17 9.488 1.593 0.510 0.596 0.812 0.625 CA 1.107 17 residues pruned to eliminate duplicates Z: 7 6.847 1.512 0.209 0.741 1.000 0.667 CA 1.232 Z: 7 3.465 1.281 0.520 0.718 0.833 0.500 CB 0.716 6 1.669 1.089 0.249 0.301 0.800 0.600 C 0.856 ? Z: 8 2.029 1.261 0.481 0.213 0.571 0.429 CB 1.007 Z: 11 16.945 1.829 0.681 0.903 0.900 0.900 CA 1.381 11 residues pruned to eliminate duplicates Z: 15 22.358 2.020 0.881 0.736 0.857 0.571 CA 1.485 14 residues pruned to eliminate duplicates Z: 17 9.794 1.787 0.519 0.400 0.812 0.625 CA 1.233 24 residues pruned to eliminate duplicates Z: 6 2.887 1.472 0.805 0.298 0.600 0.600 N 1.015 Z: 11 20.605 1.943 0.843 0.895 1.000 0.800 CA 1.304 11 residues pruned to eliminate duplicates Z: 7 3.678 1.653 0.628 0.740 0.833 0.667 CB 0.540 5 residues pruned to eliminate duplicates Z: 15 8.947 1.622 0.626 0.375 0.929 0.571 CB 1.116 15 residues pruned to eliminate duplicates Z: 43 22.275 1.900 0.550 0.575 0.833 0.595 CB 1.303 47 residues pruned to eliminate duplicates Z: 9 2.225 1.442 -0.051 0.377 0.875 0.625 CB 0.749 Z: 10 12.486 1.706 0.540 0.893 0.889 0.444 CB 1.279 10 residues pruned to eliminate duplicates Z: 15 8.773 1.722 0.179 0.837 0.857 0.643 CB 1.008 15 residues pruned to eliminate duplicates Z: 8 10.171 1.701 0.673 0.623 1.000 0.714 CB 1.203 8 residues pruned to eliminate duplicates Z: 7 3.450 1.556 0.565 0.545 0.667 0.500 CA 0.830 7 residues pruned to eliminate duplicates Z: 9 4.215 1.408 0.616 0.446 0.625 0.500 CB 1.108 9 residues pruned to eliminate duplicates Z: 11 18.394 1.885 0.964 0.872 1.000 0.800 CA 1.145 11 residues pruned to eliminate duplicates Z: 16 17.957 1.841 0.625 0.906 1.000 0.667 CB 1.102 16 residues pruned to eliminate duplicates Z: 15 18.227 1.935 0.941 0.832 0.857 0.643 CB 1.137 15 residues pruned to eliminate duplicates Z: 20 10.208 1.419 0.552 0.867 0.895 0.632 CB 0.869 20 residues pruned to eliminate duplicates Z: 7 2.962 1.285 0.630 0.467 0.833 0.833 CB 0.717 Z: 16 11.221 1.803 0.771 0.412 0.800 0.333 CA 1.244 16 residues pruned to eliminate duplicates 703 residues left after pruning, divided into chains as follows: A: 11 B: 14 C: 6 D: 36 E: 36 F: 34 G: 89 H: 9 I: 37 J: 9 K: 8 L: 17 M: 63 N: 6 O: 16 P: 63 Q: 16 R: 10 S: 19 T: 22 U: 8 V: 62 W: 21 X: 91 CC for partial structure against native data = 35.86 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.553, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.646, Connect. = 0.744 for dens.mod. cycle 2 = 0.300, Contrast = 0.782, Connect. = 0.777 for dens.mod. cycle 3 = 0.300, Contrast = 0.800, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.817, Connect. = 0.782 for dens.mod. cycle 5 = 0.300, Contrast = 0.822, Connect. = 0.783 for dens.mod. cycle 6 = 0.300, Contrast = 0.828, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.829, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.831, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.830, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4235 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 948 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 37.198 2.395 1.155 0.910 1.000 0.818 CB 1.541 B: 14 33.573 2.291 0.757 0.896 1.000 0.846 CA 1.657 C: 14 36.115 2.305 0.989 0.881 1.000 0.923 CA 1.582 D: 14 41.384 2.294 1.217 0.911 1.000 0.846 CA 1.600 14 residues pruned to eliminate duplicates E: 12 29.492 2.337 0.771 0.898 1.000 0.909 CB 1.536 12 residues pruned to eliminate duplicates F: 26 25.723 2.255 0.648 0.496 0.920 0.480 CA 1.510 G: 14 27.878 2.279 0.521 0.930 1.000 0.923 CA 1.560 14 residues pruned to eliminate duplicates H: 11 29.316 2.256 1.054 0.887 1.000 0.700 CB 1.443 I: 22 33.364 2.217 0.751 0.853 0.905 0.619 CA 1.531 J: 13 34.230 2.144 1.031 0.917 0.917 0.833 CA 1.747 K: 14 34.491 2.287 0.892 0.902 1.000 0.923 CA 1.576 14 residues pruned to eliminate duplicates L: 14 29.362 2.320 1.000 0.817 0.846 0.615 CA 1.575 14 residues pruned to eliminate duplicates M: 13 31.315 2.384 1.011 0.768 0.917 0.750 CB 1.621 N: 15 31.310 2.161 0.898 0.887 1.000 0.929 CA 1.471 15 residues pruned to eliminate duplicates O: 14 22.743 2.188 0.514 0.846 0.923 0.846 CA 1.532 P: 22 33.959 2.167 0.922 0.828 0.857 0.571 CA 1.562 Q: 21 36.533 2.175 0.853 0.874 0.950 0.750 CA 1.552 21 residues pruned to eliminate duplicates R: 13 33.163 2.426 0.869 0.857 1.000 0.667 CA 1.555 13 residues pruned to eliminate duplicates S: 15 25.075 2.102 0.906 0.812 0.929 0.571 CB 1.373 15 residues pruned to eliminate duplicates T: 13 38.591 2.140 1.054 0.918 1.000 0.833 CA 1.788 13 residues pruned to eliminate duplicates U: 17 29.088 2.272 0.715 0.884 0.938 0.812 CB 1.438 V: 14 37.717 2.298 0.986 0.912 1.000 0.692 CB 1.624 14 residues pruned to eliminate duplicates W: 12 28.027 2.067 0.981 0.882 1.000 0.636 CB 1.493 11 residues pruned to eliminate duplicates X: 14 32.947 2.267 0.971 0.893 1.000 1.000 CA 1.468 14 residues pruned to eliminate duplicates Y: 13 35.052 2.377 0.970 0.935 1.000 0.917 CB 1.505 12 residues pruned to eliminate duplicates Z: 21 38.371 2.238 0.907 0.863 0.900 0.650 CA 1.638 21 residues pruned to eliminate duplicates Z: 22 33.772 2.074 0.833 0.815 0.952 0.524 CA 1.548 22 residues pruned to eliminate duplicates Z: 20 25.768 2.268 0.756 0.492 0.895 0.526 CB 1.671 Z: 12 33.960 2.404 1.004 0.849 1.000 0.727 CA 1.575 12 residues pruned to eliminate duplicates Z: 11 23.873 2.347 0.637 0.875 0.900 0.800 CA 1.587 Z: 12 46.709 2.252 1.316 0.931 1.000 0.727 CA 1.887 13 residues pruned to eliminate duplicates Z: 13 32.825 2.483 0.980 0.820 0.917 0.750 CA 1.593 13 residues pruned to eliminate duplicates Z: 13 29.727 2.364 0.913 0.807 0.917 0.750 CB 1.583 13 residues pruned to eliminate duplicates Z: 15 30.139 2.223 1.215 0.790 0.857 0.571 CB 1.480 15 residues pruned to eliminate duplicates Z: 15 27.002 2.189 0.714 0.905 1.000 0.857 CA 1.370 15 residues pruned to eliminate duplicates Z: 13 28.775 2.098 0.733 0.900 0.917 0.667 CB 1.780 13 residues pruned to eliminate duplicates Z: 11 22.093 2.285 0.606 0.859 0.900 0.800 CB 1.556 11 residues pruned to eliminate duplicates Z: 14 23.615 2.206 0.659 0.788 0.923 0.769 CB 1.506 14 residues pruned to eliminate duplicates Z: 14 31.451 2.237 0.782 0.914 1.000 0.846 CB 1.547 14 residues pruned to eliminate duplicates Z: 11 24.319 2.309 0.603 0.853 0.900 0.700 CA 1.706 11 residues pruned to eliminate duplicates Z: 19 23.390 2.040 0.439 0.863 1.000 0.944 CA 1.378 Z: 14 33.223 2.288 0.961 0.823 0.923 0.615 CA 1.682 14 residues pruned to eliminate duplicates Z: 13 35.967 2.115 1.135 0.919 0.917 0.833 CB 1.768 13 residues pruned to eliminate duplicates Z: 13 36.400 2.350 1.202 0.861 1.000 0.583 CA 1.493 14 residues pruned to eliminate duplicates Z: 68 47.442 2.183 0.739 0.509 0.925 0.582 CB 1.636 11 residues pruned to eliminate duplicates Z: 11 13.588 1.911 0.297 0.812 1.000 0.800 CB 1.321 11 residues pruned to eliminate duplicates Z: 18 37.013 2.332 1.015 0.869 0.941 0.882 CB 1.483 17 residues pruned to eliminate duplicates Z: 10 27.732 2.266 1.004 0.845 0.889 0.667 CB 1.703 Z: 138 75.077 2.181 0.934 0.617 0.905 0.613 CB 1.504 70 residues pruned to eliminate duplicates Z: 18 40.829 2.334 0.912 0.873 1.000 0.824 CA 1.616 18 residues pruned to eliminate duplicates Z: 15 25.333 2.219 1.048 0.733 0.786 0.500 CA 1.538 15 residues pruned to eliminate duplicates Z: 21 37.556 2.214 0.734 0.879 0.950 0.700 CA 1.669 22 residues pruned to eliminate duplicates Z: 48 36.005 2.145 0.566 0.552 0.957 0.702 CB 1.552 13 residues pruned to eliminate duplicates Z: 21 29.536 2.176 0.559 0.876 0.950 0.750 CA 1.489 21 residues pruned to eliminate duplicates Z: 18 43.566 2.356 1.128 0.864 0.941 0.765 CA 1.641 18 residues pruned to eliminate duplicates Z: 19 32.293 2.261 0.856 0.812 0.889 0.778 CA 1.556 19 residues pruned to eliminate duplicates Z: 20 35.644 2.125 1.097 0.831 0.895 0.737 CB 1.541 20 residues pruned to eliminate duplicates Z: 11 43.046 2.344 1.123 0.894 1.000 0.700 CB 1.963 11 residues pruned to eliminate duplicates Z: 125 79.804 2.185 0.950 0.673 0.935 0.637 CB 1.534 122 residues pruned to eliminate duplicates Z: 13 27.474 2.114 0.829 0.876 1.000 0.667 CA 1.490 Z: 28 26.715 2.189 0.768 0.481 0.815 0.556 CB 1.663 28 residues pruned to eliminate duplicates Z: 21 36.562 2.219 0.715 0.877 0.950 0.600 CA 1.642 21 residues pruned to eliminate duplicates Z: 13 25.765 2.033 1.117 0.841 0.917 0.667 CA 1.406 11 residues pruned to eliminate duplicates Z: 6 12.802 1.997 1.087 0.721 0.800 0.800 CB 1.406 Z: 13 29.963 2.217 0.909 0.800 1.000 0.750 CA 1.572 17 residues pruned to eliminate duplicates Z: 22 32.409 2.185 0.749 0.866 0.905 0.524 CA 1.497 22 residues pruned to eliminate duplicates Z: 12 11.286 1.812 0.560 0.855 1.000 0.909 CB 0.888 Z: 19 34.601 2.268 0.844 0.848 0.944 0.778 CB 1.531 19 residues pruned to eliminate duplicates Z: 12 24.796 2.135 0.853 0.832 0.909 0.636 CB 1.561 Z: 14 27.117 2.282 0.576 0.876 1.000 1.000 CA 1.520 14 residues pruned to eliminate duplicates Z: 12 24.228 2.213 0.633 0.880 0.909 0.727 CA 1.612 12 residues pruned to eliminate duplicates Z: 20 36.053 2.259 0.795 0.866 1.000 0.632 CA 1.493 20 residues pruned to eliminate duplicates Z: 40 33.601 2.167 0.925 0.533 0.821 0.333 CB 1.523 12 residues pruned to eliminate duplicates Z: 21 24.260 2.158 0.254 0.847 0.950 0.700 CA 1.566 21 residues pruned to eliminate duplicates Z: 10 11.884 1.949 0.754 0.759 0.667 0.667 CB 1.381 Z: 19 39.394 2.274 1.147 0.827 0.889 0.667 CB 1.612 19 residues pruned to eliminate duplicates Z: 11 18.755 1.874 0.983 0.778 0.900 0.600 CB 1.388 Z: 18 32.924 2.127 0.845 0.873 0.941 0.529 CA 1.574 18 residues pruned to eliminate duplicates Z: 14 33.308 2.317 1.040 0.785 0.923 0.385 CB 1.647 13 residues pruned to eliminate duplicates Z: 128 84.893 2.252 0.933 0.664 0.913 0.638 CB 1.628 136 residues pruned to eliminate duplicates Z: 11 30.633 2.601 0.783 0.869 0.900 0.900 CA 1.696 11 residues pruned to eliminate duplicates Z: 7 8.294 1.767 0.431 0.639 1.000 0.500 CA 1.176 7 residues pruned to eliminate duplicates Z: 11 27.717 2.185 0.926 0.883 1.000 0.700 CB 1.507 11 residues pruned to eliminate duplicates Z: 13 17.649 1.913 0.449 0.873 1.000 0.833 CB 1.339 Z: 15 32.512 2.192 1.038 0.803 0.929 0.786 CB 1.608 15 residues pruned to eliminate duplicates Z: 13 30.605 2.197 0.998 0.881 1.000 1.000 CA 1.457 13 residues pruned to eliminate duplicates Z: 20 36.034 2.192 0.885 0.848 1.000 0.316 CA 1.484 20 residues pruned to eliminate duplicates Z: 20 23.618 2.130 0.471 0.869 0.895 0.789 CA 1.411 20 residues pruned to eliminate duplicates Z: 13 18.653 2.135 0.413 0.828 1.000 0.750 CA 1.344 13 residues pruned to eliminate duplicates Z: 21 42.153 2.231 0.905 0.882 1.000 0.750 CA 1.605 21 residues pruned to eliminate duplicates Z: 131 76.140 2.193 0.894 0.643 0.908 0.623 CB 1.550 131 residues pruned to eliminate duplicates Z: 32 32.424 2.218 0.921 0.572 0.871 0.548 CB 1.464 35 residues pruned to eliminate duplicates Z: 156 86.401 2.242 0.852 0.619 0.910 0.665 CA 1.641 146 residues pruned to eliminate duplicates Z: 12 24.483 2.130 0.928 0.901 0.909 0.818 CA 1.411 12 residues pruned to eliminate duplicates Z: 13 22.905 2.273 0.509 0.824 0.917 0.750 CA 1.587 13 residues pruned to eliminate duplicates Z: 19 45.964 2.317 1.336 0.830 0.944 0.500 CB 1.594 19 residues pruned to eliminate duplicates Z: 13 30.070 2.176 0.991 0.846 1.000 0.750 CA 1.489 Z: 19 23.950 2.099 0.558 0.822 0.889 0.778 CA 1.469 19 residues pruned to eliminate duplicates Z: 103 65.724 2.264 0.823 0.577 0.902 0.559 CA 1.623 116 residues pruned to eliminate duplicates Z: 9 7.236 1.890 0.908 0.408 0.750 0.500 CB 1.042 4 residues pruned to eliminate duplicates Z: 11 27.709 2.288 0.640 0.875 1.000 0.500 CB 1.699 11 residues pruned to eliminate duplicates Z: 11 32.135 2.453 0.803 0.909 1.000 0.800 CA 1.631 11 residues pruned to eliminate duplicates Z: 22 25.119 2.268 0.580 0.469 0.857 0.571 CB 1.842 25 residues pruned to eliminate duplicates Z: 19 41.963 2.260 1.108 0.887 0.944 0.389 CB 1.584 19 residues pruned to eliminate duplicates Z: 17 35.501 2.242 0.782 0.886 1.000 0.750 CA 1.604 17 residues pruned to eliminate duplicates Z: 17 31.543 2.155 1.068 0.856 0.875 0.500 CA 1.491 17 residues pruned to eliminate duplicates Z: 13 22.121 2.173 0.461 0.903 1.000 1.000 CA 1.434 13 residues pruned to eliminate duplicates Z: 23 24.149 2.056 0.512 0.811 0.909 0.818 CA 1.390 23 residues pruned to eliminate duplicates Z: 12 23.230 2.143 0.759 0.911 0.909 0.727 CB 1.448 12 residues pruned to eliminate duplicates Z: 131 78.919 2.263 0.845 0.584 0.931 0.615 CB 1.644 120 residues pruned to eliminate duplicates Z: 14 24.621 2.024 0.791 0.888 1.000 0.846 CA 1.356 14 residues pruned to eliminate duplicates Z: 14 31.545 2.283 0.838 0.863 1.000 0.692 CA 1.530 14 residues pruned to eliminate duplicates Z: 18 35.275 2.309 0.853 0.881 0.941 0.706 CB 1.539 18 residues pruned to eliminate duplicates Z: 11 8.872 1.864 0.090 0.789 0.900 0.800 CB 1.190 Z: 14 21.034 1.960 0.626 0.893 0.923 0.615 CA 1.424 14 residues pruned to eliminate duplicates Z: 21 28.974 2.239 0.639 0.831 0.850 0.750 CA 1.561 21 residues pruned to eliminate duplicates Z: 35 37.892 2.232 1.061 0.714 0.882 0.500 CB 1.318 27 residues pruned to eliminate duplicates Z: 13 22.257 2.094 0.805 0.821 0.917 0.583 CB 1.404 13 residues pruned to eliminate duplicates Z: 13 24.962 2.340 0.455 0.912 1.000 0.917 CA 1.500 13 residues pruned to eliminate duplicates Z: 13 27.544 2.243 0.821 0.886 1.000 0.833 CA 1.404 13 residues pruned to eliminate duplicates Z: 13 29.006 2.312 0.886 0.829 1.000 0.833 CB 1.446 15 residues pruned to eliminate duplicates Z: 14 28.208 2.267 0.734 0.826 0.923 0.846 CA 1.625 14 residues pruned to eliminate duplicates Z: 13 23.758 2.053 0.980 0.901 0.833 0.583 CA 1.445 12 residues pruned to eliminate duplicates Z: 20 28.847 2.041 0.594 0.893 1.000 0.789 CA 1.461 20 residues pruned to eliminate duplicates Z: 19 29.838 2.150 1.043 0.824 0.889 0.667 CA 1.360 19 residues pruned to eliminate duplicates Z: 16 29.416 2.281 0.698 0.863 1.000 0.867 CA 1.439 16 residues pruned to eliminate duplicates Z: 14 23.557 2.328 0.630 0.753 1.000 0.769 CA 1.375 14 residues pruned to eliminate duplicates Z: 9 8.748 1.688 0.232 0.816 0.875 0.250 CB 1.291 Z: 9 7.422 1.545 0.765 0.574 0.875 0.750 CB 1.024 Z: 16 18.554 1.881 0.563 0.711 0.933 0.733 CB 1.441 13 residues pruned to eliminate duplicates Z: 12 31.405 2.555 0.598 0.881 1.000 1.000 CA 1.680 12 residues pruned to eliminate duplicates Z: 16 20.367 2.088 0.514 0.753 0.933 0.533 CB 1.423 16 residues pruned to eliminate duplicates Z: 14 38.300 2.224 1.217 0.877 1.000 0.692 CB 1.564 14 residues pruned to eliminate duplicates Z: 30 34.864 2.282 1.029 0.551 0.897 0.586 CB 1.484 30 residues pruned to eliminate duplicates Z: 12 35.937 2.516 0.884 0.871 1.000 0.818 CA 1.667 12 residues pruned to eliminate duplicates Z: 28 34.843 2.255 0.902 0.519 0.926 0.519 CB 1.657 31 residues pruned to eliminate duplicates Z: 13 17.676 2.250 0.176 0.885 1.000 0.833 CA 1.392 13 residues pruned to eliminate duplicates Z: 13 19.201 2.062 0.893 0.853 0.750 0.583 CA 1.399 13 residues pruned to eliminate duplicates Z: 21 30.405 2.174 0.959 0.819 0.850 0.400 CA 1.423 21 residues pruned to eliminate duplicates Z: 16 35.239 2.275 0.892 0.922 0.933 0.733 CA 1.593 16 residues pruned to eliminate duplicates Z: 17 28.226 1.934 0.978 0.894 1.000 0.812 CB 1.324 17 residues pruned to eliminate duplicates Z: 20 32.304 2.165 1.014 0.852 0.947 0.579 CB 1.328 20 residues pruned to eliminate duplicates Z: 7 10.514 1.801 0.367 0.813 1.000 0.833 CA 1.328 7 residues pruned to eliminate duplicates Z: 11 24.048 2.241 0.599 0.885 1.000 1.000 CA 1.533 11 residues pruned to eliminate duplicates Z: 53 35.166 2.136 0.643 0.516 0.904 0.673 CA 1.514 27 residues pruned to eliminate duplicates Z: 21 32.536 2.213 0.737 0.828 1.000 0.700 CA 1.424 21 residues pruned to eliminate duplicates Z: 12 22.572 2.480 0.529 0.837 0.909 0.909 CA 1.477 12 residues pruned to eliminate duplicates Z: 19 28.303 2.118 0.827 0.822 0.889 0.778 CA 1.467 19 residues pruned to eliminate duplicates Z: 12 31.996 2.150 1.005 0.875 0.909 0.818 CB 1.790 12 residues pruned to eliminate duplicates Z: 21 38.361 2.135 1.150 0.854 0.950 0.600 CA 1.453 21 residues pruned to eliminate duplicates Z: 13 15.368 2.116 0.565 0.800 1.000 0.667 CA 1.031 13 residues pruned to eliminate duplicates Z: 14 24.919 2.237 0.452 0.842 1.000 1.000 CB 1.586 13 residues pruned to eliminate duplicates Z: 19 27.799 2.165 0.689 0.861 0.944 0.778 CB 1.394 19 residues pruned to eliminate duplicates Z: 9 13.676 2.180 0.199 0.882 1.000 0.875 CA 1.339 9 residues pruned to eliminate duplicates Z: 10 21.900 2.257 0.608 0.907 1.000 0.667 CB 1.430 10 residues pruned to eliminate duplicates Z: 8 13.952 2.088 0.415 0.855 1.000 0.714 CB 1.317 10 residues pruned to eliminate duplicates Z: 13 31.266 2.278 0.768 0.880 1.000 0.833 CA 1.623 13 residues pruned to eliminate duplicates Z: 11 14.407 1.993 0.336 0.797 1.000 0.800 CB 1.319 11 residues pruned to eliminate duplicates Z: 18 28.549 2.127 0.677 0.878 1.000 0.824 CA 1.409 18 residues pruned to eliminate duplicates Z: 13 32.417 2.076 1.034 0.894 1.000 0.500 CA 1.590 13 residues pruned to eliminate duplicates Z: 13 28.524 2.092 0.719 0.930 1.000 0.917 CA 1.601 13 residues pruned to eliminate duplicates Z: 14 23.604 2.112 0.688 0.798 0.923 0.846 CA 1.533 14 residues pruned to eliminate duplicates Z: 10 24.945 2.241 0.963 0.802 0.889 0.556 CA 1.633 10 residues pruned to eliminate duplicates Z: 11 9.860 1.708 1.086 0.453 1.000 0.500 CB 0.919 Z: 12 18.903 2.183 0.389 0.886 0.909 0.818 CA 1.492 12 residues pruned to eliminate duplicates Z: 8 12.256 2.236 0.299 0.887 1.000 0.857 CA 1.150 8 residues pruned to eliminate duplicates Z: 13 20.087 2.053 0.838 0.851 0.833 0.667 CA 1.366 13 residues pruned to eliminate duplicates Z: 13 30.101 2.408 0.861 0.865 1.000 0.667 CA 1.420 13 residues pruned to eliminate duplicates Z: 13 28.004 2.080 0.911 0.906 1.000 0.667 CA 1.446 13 residues pruned to eliminate duplicates Z: 19 27.737 2.046 0.826 0.896 0.833 0.444 CA 1.504 19 residues pruned to eliminate duplicates Z: 15 29.072 2.207 0.903 0.815 0.929 0.714 CB 1.516 15 residues pruned to eliminate duplicates Z: 8 5.724 1.740 0.881 0.685 0.714 0.571 CA 0.781 8 residues pruned to eliminate duplicates Z: 19 43.837 2.271 1.192 0.866 1.000 0.833 CB 1.520 19 residues pruned to eliminate duplicates Z: 7 8.942 1.838 0.546 0.778 1.000 0.833 CA 1.006 7 residues pruned to eliminate duplicates Z: 114 59.421 2.200 0.806 0.512 0.876 0.522 CB 1.587 110 residues pruned to eliminate duplicates Z: 31 25.297 2.112 0.772 0.569 0.867 0.567 CB 1.332 27 residues pruned to eliminate duplicates Z: 18 36.438 2.153 0.932 0.845 1.000 0.471 CB 1.580 18 residues pruned to eliminate duplicates Z: 12 19.839 2.222 0.584 0.886 1.000 0.818 CA 1.226 12 residues pruned to eliminate duplicates Z: 15 23.096 2.185 0.587 0.902 1.000 0.857 CB 1.269 15 residues pruned to eliminate duplicates Z: 36 43.301 2.278 1.059 0.657 0.857 0.571 CB 1.573 36 residues pruned to eliminate duplicates Z: 10 31.685 2.429 0.842 0.894 1.000 1.000 CA 1.694 10 residues pruned to eliminate duplicates Z: 7 6.199 1.716 0.170 0.799 0.833 0.500 CB 1.164 7 residues pruned to eliminate duplicates Z: 12 26.450 2.290 0.551 0.879 1.000 0.727 CA 1.627 12 residues pruned to eliminate duplicates Z: 14 28.398 2.239 0.842 0.823 0.923 0.846 CA 1.565 14 residues pruned to eliminate duplicates Z: 8 10.841 1.993 1.047 0.466 0.857 0.857 CB 1.213 8 residues pruned to eliminate duplicates Z: 13 27.846 2.179 0.847 0.874 1.000 0.583 CB 1.453 13 residues pruned to eliminate duplicates Z: 7 2.782 1.784 0.664 0.378 0.667 0.333 N 0.653 Z: 104 64.147 2.241 0.924 0.530 0.922 0.534 CB 1.543 104 residues pruned to eliminate duplicates Z: 13 23.226 2.002 0.860 0.864 0.917 0.667 CA 1.440 13 residues pruned to eliminate duplicates Z: 136 77.535 2.264 0.862 0.563 0.926 0.504 CB 1.609 136 residues pruned to eliminate duplicates Z: 12 26.236 2.291 0.698 0.887 1.000 0.909 CB 1.466 12 residues pruned to eliminate duplicates Z: 13 24.415 2.099 1.006 0.858 0.917 0.500 CA 1.345 13 residues pruned to eliminate duplicates Z: 21 30.622 2.202 0.728 0.858 1.000 0.750 CA 1.325 21 residues pruned to eliminate duplicates Z: 13 21.167 2.087 0.714 0.848 0.917 0.750 CB 1.382 13 residues pruned to eliminate duplicates Z: 11 15.907 1.897 0.542 0.920 0.900 0.900 CB 1.346 Z: 14 20.417 2.013 0.786 0.810 0.923 0.769 CA 1.303 14 residues pruned to eliminate duplicates Z: 6 11.818 1.980 0.828 0.727 1.000 0.800 CB 1.190 6 residues pruned to eliminate duplicates Z: 16 16.458 1.868 0.247 0.907 1.000 0.867 CB 1.296 Z: 12 13.304 2.044 0.044 0.904 1.000 1.000 CA 1.338 12 residues pruned to eliminate duplicates Z: 13 37.233 2.354 1.075 0.906 0.917 0.667 CA 1.707 13 residues pruned to eliminate duplicates Z: 7 4.900 1.919 0.193 0.574 0.667 0.500 CA 1.220 Z: 14 20.809 1.919 0.625 0.830 1.000 0.769 CB 1.392 16 residues pruned to eliminate duplicates Z: 11 10.019 1.850 0.522 0.889 0.900 0.800 CB 0.900 11 residues pruned to eliminate duplicates Z: 15 34.295 2.196 1.092 0.881 1.000 0.429 CB 1.445 15 residues pruned to eliminate duplicates Z: 11 18.279 1.935 0.761 0.909 0.900 0.800 CA 1.338 11 residues pruned to eliminate duplicates Z: 13 21.658 2.136 0.575 0.918 0.917 0.750 CA 1.430 Z: 19 24.996 1.911 0.717 0.883 0.944 0.778 CB 1.375 13 residues pruned to eliminate duplicates Z: 14 19.007 1.727 0.763 0.859 1.000 0.769 CB 1.274 12 residues pruned to eliminate duplicates Z: 17 24.567 1.936 0.819 0.851 0.938 0.625 CB 1.377 19 residues pruned to eliminate duplicates Z: 12 35.534 2.328 1.073 0.869 1.000 0.636 CA 1.622 12 residues pruned to eliminate duplicates Z: 98 67.321 2.194 0.895 0.665 0.887 0.619 CA 1.591 98 residues pruned to eliminate duplicates Z: 9 9.089 1.709 0.349 0.832 0.875 0.750 CA 1.197 9 residues pruned to eliminate duplicates Z: 9 9.084 1.716 0.036 0.841 1.000 0.750 CA 1.347 9 residues pruned to eliminate duplicates Z: 17 39.328 2.183 1.243 0.905 0.938 0.625 CA 1.524 17 residues pruned to eliminate duplicates Z: 11 11.244 1.816 0.809 0.789 0.800 0.500 CB 1.050 11 residues pruned to eliminate duplicates Z: 16 22.432 2.044 0.834 0.721 0.933 0.800 CA 1.356 16 residues pruned to eliminate duplicates Z: 16 23.905 1.963 0.848 0.773 1.000 0.867 CA 1.337 16 residues pruned to eliminate duplicates Z: 14 39.387 2.273 1.076 0.878 1.000 0.538 CA 1.680 14 residues pruned to eliminate duplicates Z: 10 14.120 1.992 0.222 0.873 0.889 0.889 CB 1.585 Z: 13 23.672 1.892 0.689 0.894 1.000 1.000 CA 1.534 14 residues pruned to eliminate duplicates Z: 20 31.848 2.051 0.769 0.864 0.947 0.474 CB 1.558 20 residues pruned to eliminate duplicates Z: 16 29.062 2.195 0.810 0.893 0.933 0.533 CA 1.453 16 residues pruned to eliminate duplicates Z: 7 6.264 1.632 0.236 0.689 0.833 0.333 N 1.280 Z: 15 30.306 2.188 1.111 0.811 0.929 0.500 CA 1.441 15 residues pruned to eliminate duplicates Z: 13 11.561 1.820 0.484 0.861 1.000 0.833 CB 0.908 12 residues pruned to eliminate duplicates Z: 14 37.550 2.284 1.181 0.895 0.923 0.923 CA 1.624 14 residues pruned to eliminate duplicates Z: 17 32.735 2.386 0.532 0.882 1.000 0.812 CB 1.620 17 residues pruned to eliminate duplicates Z: 43 26.687 2.076 0.708 0.462 0.857 0.524 CB 1.409 13 residues pruned to eliminate duplicates Z: 11 22.068 2.113 0.777 0.922 0.900 0.800 CA 1.452 11 residues pruned to eliminate duplicates Z: 11 23.943 2.035 0.884 0.917 1.000 0.700 CA 1.394 11 residues pruned to eliminate duplicates Z: 7 4.923 1.735 0.332 0.618 0.833 0.667 CA 0.934 7 residues pruned to eliminate duplicates Z: 12 16.114 2.069 0.116 0.892 1.000 0.818 CA 1.513 12 residues pruned to eliminate duplicates Z: 21 26.341 2.186 0.432 0.844 1.000 0.800 CA 1.401 21 residues pruned to eliminate duplicates Z: 128 73.664 2.228 0.812 0.645 0.890 0.598 CB 1.589 128 residues pruned to eliminate duplicates Z: 19 32.584 2.115 0.736 0.856 1.000 0.556 CB 1.543 19 residues pruned to eliminate duplicates Z: 14 30.020 2.092 0.885 0.861 1.000 0.692 CA 1.551 14 residues pruned to eliminate duplicates Z: 19 25.324 2.013 0.514 0.889 1.000 0.833 CB 1.410 19 residues pruned to eliminate duplicates Z: 11 13.509 1.978 0.570 0.812 1.000 0.800 CA 1.049 11 residues pruned to eliminate duplicates Z: 12 13.105 1.895 0.269 0.885 0.909 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 22 31.032 2.204 0.766 0.862 0.905 0.619 CA 1.412 22 residues pruned to eliminate duplicates Z: 22 29.339 2.030 0.905 0.834 0.857 0.333 CB 1.448 22 residues pruned to eliminate duplicates Z: 6 2.827 1.554 0.340 0.712 0.600 0.400 CB 0.835 6 residues pruned to eliminate duplicates Z: 12 24.534 2.125 0.863 0.878 1.000 0.636 CA 1.355 12 residues pruned to eliminate duplicates Z: 13 20.283 1.885 0.428 0.918 1.000 0.917 CA 1.533 13 residues pruned to eliminate duplicates Z: 22 26.355 2.136 0.887 0.529 0.905 0.238 CA 1.533 22 residues pruned to eliminate duplicates Z: 15 24.674 1.976 0.623 0.909 1.000 0.786 CA 1.459 15 residues pruned to eliminate duplicates Z: 16 19.611 1.851 0.395 0.894 1.000 0.800 CB 1.407 16 residues pruned to eliminate duplicates Z: 6 6.359 2.046 0.444 0.646 0.800 0.600 CB 1.050 Z: 17 43.363 2.203 1.237 0.939 1.000 0.500 CA 1.529 17 residues pruned to eliminate duplicates Z: 19 28.304 2.144 0.738 0.851 0.944 0.833 CA 1.403 19 residues pruned to eliminate duplicates Z: 41 32.250 2.210 0.657 0.417 0.950 0.650 CA 1.598 41 residues pruned to eliminate duplicates Z: 11 11.333 1.869 0.403 0.768 0.900 0.700 CB 1.197 11 residues pruned to eliminate duplicates Z: 43 40.643 2.179 0.755 0.580 0.952 0.690 CB 1.593 42 residues pruned to eliminate duplicates Z: 16 20.669 2.143 0.606 0.839 0.867 0.800 CA 1.336 16 residues pruned to eliminate duplicates Z: 17 36.532 2.285 0.775 0.872 1.000 0.562 CB 1.641 17 residues pruned to eliminate duplicates Z: 83 62.279 2.268 0.886 0.602 0.890 0.573 CA 1.640 83 residues pruned to eliminate duplicates Z: 12 19.236 2.045 0.482 0.901 1.000 0.636 CB 1.366 12 residues pruned to eliminate duplicates Z: 17 21.547 1.851 0.806 0.868 1.000 0.625 CB 1.178 16 residues pruned to eliminate duplicates Z: 14 20.344 1.784 0.675 0.896 1.000 0.846 CA 1.352 14 residues pruned to eliminate duplicates Z: 19 30.426 2.178 0.816 0.814 0.889 0.611 CA 1.553 19 residues pruned to eliminate duplicates Z: 12 10.763 1.792 0.859 0.365 0.818 0.636 CA 1.377 9 residues pruned to eliminate duplicates Z: 44 26.753 2.073 0.705 0.485 0.814 0.535 CB 1.440 44 residues pruned to eliminate duplicates Z: 7 4.956 1.743 0.507 0.472 0.833 0.667 CB 0.951 7 residues pruned to eliminate duplicates Z: 23 36.772 2.092 0.902 0.845 0.955 0.500 CB 1.535 23 residues pruned to eliminate duplicates Z: 9 3.419 1.641 0.327 0.379 0.875 0.625 CB 0.722 Z: 99 80.663 2.247 0.955 0.652 0.939 0.510 CB 1.715 104 residues pruned to eliminate duplicates Z: 17 24.580 1.940 0.764 0.882 0.938 0.562 CA 1.386 17 residues pruned to eliminate duplicates Z: 14 32.171 2.263 0.838 0.924 0.923 0.846 CA 1.632 14 residues pruned to eliminate duplicates Z: 6 5.330 2.090 -0.066 0.594 1.000 0.400 CB 1.117 Z: 112 82.406 2.281 0.967 0.679 0.892 0.613 CA 1.657 112 residues pruned to eliminate duplicates Z: 17 17.866 1.852 0.549 0.863 1.000 0.750 CB 1.143 17 residues pruned to eliminate duplicates Z: 13 25.767 2.065 0.962 0.897 0.917 0.750 CB 1.434 13 residues pruned to eliminate duplicates Z: 11 31.480 2.242 0.942 0.893 1.000 0.500 CB 1.642 11 residues pruned to eliminate duplicates Z: 10 16.008 2.018 0.364 0.854 1.000 0.778 CB 1.432 10 residues pruned to eliminate duplicates Z: 19 31.554 2.155 0.593 0.898 1.000 0.889 CA 1.550 19 residues pruned to eliminate duplicates Z: 18 43.909 2.241 1.175 0.884 1.000 0.706 CA 1.579 18 residues pruned to eliminate duplicates Z: 38 20.786 1.858 0.590 0.558 0.865 0.514 CB 1.264 12 residues pruned to eliminate duplicates Z: 12 30.302 2.153 1.185 0.899 1.000 0.636 CB 1.388 12 residues pruned to eliminate duplicates Z: 13 24.559 2.027 0.879 0.909 0.917 0.917 CA 1.442 13 residues pruned to eliminate duplicates Z: 13 28.858 2.210 0.828 0.857 1.000 0.583 CA 1.519 13 residues pruned to eliminate duplicates Z: 37 28.940 2.148 0.884 0.437 0.861 0.556 CB 1.477 37 residues pruned to eliminate duplicates Z: 73 73.556 2.234 1.026 0.755 0.972 0.667 CB 1.571 78 residues pruned to eliminate duplicates Z: 14 19.502 1.948 0.689 0.901 1.000 0.846 CA 1.173 14 residues pruned to eliminate duplicates Z: 9 14.052 2.027 0.436 0.835 1.000 0.500 CA 1.278 9 residues pruned to eliminate duplicates Z: 13 28.831 2.117 0.992 0.825 1.000 0.583 CA 1.489 13 residues pruned to eliminate duplicates Z: 8 7.038 1.795 0.828 0.487 0.857 0.857 CB 0.958 8 residues pruned to eliminate duplicates Z: 55 52.699 2.168 0.855 0.728 0.944 0.685 CA 1.538 56 residues pruned to eliminate duplicates Z: 7 9.425 2.000 0.360 0.639 0.833 0.833 CB 1.490 7 residues pruned to eliminate duplicates Z: 10 30.275 2.345 1.073 0.888 1.000 0.333 CB 1.496 10 residues pruned to eliminate duplicates Z: 14 24.732 2.073 0.830 0.858 1.000 1.000 CA 1.332 14 residues pruned to eliminate duplicates Z: 13 8.792 1.763 0.533 0.418 0.833 0.500 CB 1.228 12 residues pruned to eliminate duplicates Z: 18 40.336 2.192 1.111 0.856 1.000 0.471 CB 1.559 18 residues pruned to eliminate duplicates Z: 13 35.853 2.144 1.186 0.926 0.917 0.833 CA 1.689 13 residues pruned to eliminate duplicates Z: 11 13.247 1.924 0.413 0.876 1.000 1.000 CB 1.120 10 residues pruned to eliminate duplicates Z: 13 19.709 1.991 0.680 0.877 0.917 0.667 CA 1.348 13 residues pruned to eliminate duplicates Z: 13 17.752 1.767 0.662 0.928 1.000 1.000 CA 1.223 11 residues pruned to eliminate duplicates Z: 16 24.714 1.933 0.849 0.867 0.933 0.733 CB 1.399 16 residues pruned to eliminate duplicates Z: 18 32.179 2.243 0.649 0.861 1.000 0.765 CA 1.551 18 residues pruned to eliminate duplicates Z: 13 22.424 1.898 0.983 0.906 1.000 0.833 CA 1.223 13 residues pruned to eliminate duplicates Z: 11 21.852 2.062 0.773 0.890 0.900 0.800 CA 1.510 11 residues pruned to eliminate duplicates Z: 28 35.999 2.298 1.126 0.640 0.889 0.556 CB 1.400 28 residues pruned to eliminate duplicates Z: 12 17.858 1.933 0.748 0.888 1.000 0.727 CB 1.148 12 residues pruned to eliminate duplicates Z: 12 21.298 2.113 0.898 0.884 0.818 0.636 CA 1.414 12 residues pruned to eliminate duplicates Z: 16 18.931 1.921 0.531 0.919 0.867 0.733 CA 1.351 16 residues pruned to eliminate duplicates Z: 94 60.534 2.143 0.720 0.708 0.925 0.656 CB 1.525 94 residues pruned to eliminate duplicates Z: 12 23.936 2.184 0.920 0.918 0.909 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 18 32.460 2.268 0.598 0.868 1.000 0.882 CB 1.588 18 residues pruned to eliminate duplicates Z: 86 90.659 2.335 1.020 0.745 0.976 0.635 CA 1.714 87 residues pruned to eliminate duplicates Z: 13 23.099 2.175 0.463 0.854 1.000 1.000 CB 1.547 13 residues pruned to eliminate duplicates Z: 19 22.796 2.074 0.613 0.804 0.944 0.667 CA 1.304 19 residues pruned to eliminate duplicates Z: 134 80.901 2.219 0.964 0.630 0.895 0.586 CB 1.593 134 residues pruned to eliminate duplicates Z: 19 31.066 2.154 0.905 0.846 0.889 0.556 CA 1.492 19 residues pruned to eliminate duplicates Z: 80 58.458 2.234 0.890 0.645 0.886 0.557 CB 1.536 80 residues pruned to eliminate duplicates Z: 10 14.596 2.199 0.465 0.409 1.000 0.667 CA 1.661 10 residues pruned to eliminate duplicates Z: 12 9.550 1.665 0.160 0.817 1.000 0.727 CA 1.133 12 residues pruned to eliminate duplicates Z: 31 21.029 1.891 0.653 0.640 0.900 0.600 CB 1.197 31 residues pruned to eliminate duplicates Z: 34 32.732 2.154 0.850 0.440 0.939 0.606 CA 1.620 34 residues pruned to eliminate duplicates Z: 13 41.161 2.267 1.327 0.915 1.000 0.583 CB 1.592 13 residues pruned to eliminate duplicates Z: 12 17.398 1.781 0.651 0.852 1.000 0.818 CA 1.320 12 residues pruned to eliminate duplicates Z: 13 14.623 1.977 0.295 0.657 0.917 0.417 CA 1.555 9 residues pruned to eliminate duplicates Z: 14 16.899 2.080 0.635 0.742 0.846 0.692 CA 1.311 14 residues pruned to eliminate duplicates Z: 15 29.757 2.320 0.784 0.888 0.857 0.571 CA 1.615 15 residues pruned to eliminate duplicates Z: 18 35.355 2.188 1.013 0.893 1.000 0.882 CA 1.398 18 residues pruned to eliminate duplicates Z: 29 24.012 2.055 0.619 0.653 0.857 0.750 CB 1.381 29 residues pruned to eliminate duplicates Z: 6 12.905 1.755 1.021 0.856 1.000 0.600 CA 1.200 6 residues pruned to eliminate duplicates Z: 46 48.062 2.290 1.046 0.513 0.911 0.511 CA 1.657 46 residues pruned to eliminate duplicates Z: 11 13.132 1.922 0.234 0.835 1.000 0.900 CB 1.311 11 residues pruned to eliminate duplicates Z: 6 2.454 1.564 0.899 0.299 0.600 0.600 N 0.770 Z: 12 14.782 1.727 0.677 0.839 0.818 0.545 CB 1.405 10 residues pruned to eliminate duplicates Z: 21 23.848 2.203 0.668 0.474 0.900 0.650 CB 1.656 21 residues pruned to eliminate duplicates Z: 17 33.506 2.259 0.699 0.931 1.000 0.812 CB 1.526 17 residues pruned to eliminate duplicates Z: 12 20.419 1.845 0.741 0.913 0.909 0.636 CA 1.492 12 residues pruned to eliminate duplicates Z: 24 14.393 1.870 0.752 0.394 0.826 0.478 CB 1.241 55 residues pruned to eliminate duplicates Z: 11 18.114 1.923 0.593 0.906 0.900 0.900 CA 1.477 11 residues pruned to eliminate duplicates Z: 117 83.226 2.258 1.070 0.660 0.897 0.560 CB 1.590 117 residues pruned to eliminate duplicates Z: 9 10.998 1.548 0.786 0.683 0.875 0.500 CB 1.359 9 residues pruned to eliminate duplicates Z: 75 63.822 2.172 0.993 0.675 0.932 0.662 CB 1.563 75 residues pruned to eliminate duplicates Z: 30 19.447 1.889 0.680 0.604 0.828 0.483 CB 1.246 18 residues pruned to eliminate duplicates Z: 101 74.251 2.222 0.925 0.666 0.930 0.610 CB 1.602 101 residues pruned to eliminate duplicates Z: 12 26.971 2.188 0.715 0.847 1.000 0.636 CB 1.608 12 residues pruned to eliminate duplicates Z: 7 4.751 1.661 0.426 0.240 0.833 0.500 CA 1.327 6 residues pruned to eliminate duplicates Z: 12 6.202 1.925 0.455 0.277 0.545 0.545 CB 1.576 12 residues pruned to eliminate duplicates Z: 35 28.594 2.153 0.672 0.498 0.912 0.559 CB 1.497 35 residues pruned to eliminate duplicates Z: 130 76.691 2.263 0.834 0.615 0.891 0.558 CB 1.636 130 residues pruned to eliminate duplicates Z: 6 11.677 2.341 0.246 0.830 0.800 0.800 CA 1.682 6 residues pruned to eliminate duplicates Z: 19 22.897 2.085 0.467 0.823 0.944 0.833 CA 1.412 19 residues pruned to eliminate duplicates Z: 17 40.166 2.225 1.153 0.922 0.938 0.625 CA 1.573 17 residues pruned to eliminate duplicates Z: 11 36.578 2.316 1.186 0.919 1.000 0.700 CB 1.611 11 residues pruned to eliminate duplicates Z: 152 88.848 2.229 0.930 0.604 0.927 0.589 CB 1.642 152 residues pruned to eliminate duplicates Z: 17 25.221 1.988 0.923 0.873 0.938 0.750 CB 1.281 18 residues pruned to eliminate duplicates Z: 10 10.916 1.764 0.283 0.779 1.000 0.556 CB 1.257 9 residues pruned to eliminate duplicates Z: 13 17.463 1.915 0.474 0.808 0.917 0.833 CB 1.489 13 residues pruned to eliminate duplicates Z: 19 22.888 1.995 0.641 0.773 0.944 0.833 CB 1.370 19 residues pruned to eliminate duplicates Z: 18 32.939 2.214 0.643 0.896 0.941 0.706 CA 1.671 18 residues pruned to eliminate duplicates Z: 12 17.967 2.195 0.493 0.904 1.000 0.909 CA 1.177 12 residues pruned to eliminate duplicates Z: 16 21.985 1.921 0.691 0.853 1.000 0.400 CB 1.291 16 residues pruned to eliminate duplicates Z: 12 32.831 2.333 0.911 0.897 1.000 0.909 CA 1.589 12 residues pruned to eliminate duplicates Z: 16 12.732 1.831 0.867 0.542 0.867 0.467 CB 1.065 16 residues pruned to eliminate duplicates Z: 18 28.680 2.185 0.504 0.864 1.000 0.588 CA 1.552 18 residues pruned to eliminate duplicates Z: 13 13.098 1.662 0.451 0.824 1.000 0.583 CB 1.184 Z: 8 4.615 1.712 0.226 0.488 0.571 0.571 N 1.471 8 residues pruned to eliminate duplicates Z: 14 9.380 1.682 0.460 0.915 1.000 0.846 CB 0.749 14 residues pruned to eliminate duplicates Z: 21 38.428 2.232 0.801 0.856 1.000 0.650 CB 1.576 21 residues pruned to eliminate duplicates Z: 14 42.219 2.286 1.209 0.944 1.000 1.000 CA 1.606 14 residues pruned to eliminate duplicates Z: 8 2.550 1.579 -0.097 0.533 0.714 0.429 CB 0.917 Z: 12 31.844 2.147 0.997 0.901 1.000 0.636 CB 1.598 12 residues pruned to eliminate duplicates Z: 13 27.305 2.057 0.914 0.885 0.917 0.250 CA 1.577 13 residues pruned to eliminate duplicates Z: 16 22.193 1.979 0.597 0.915 0.933 0.867 CB 1.372 16 residues pruned to eliminate duplicates Z: 7 5.115 1.542 0.272 0.736 0.833 0.500 CA 1.033 7 residues pruned to eliminate duplicates Z: 22 16.651 1.900 0.815 0.488 0.857 0.524 CB 1.245 Z: 21 29.499 2.168 0.589 0.815 0.900 0.450 CA 1.618 21 residues pruned to eliminate duplicates Z: 14 22.016 1.955 0.697 0.905 1.000 0.615 CA 1.310 14 residues pruned to eliminate duplicates Z: 26 31.103 2.201 0.897 0.528 0.880 0.640 CB 1.646 25 residues pruned to eliminate duplicates Z: 12 19.862 2.066 0.414 0.863 1.000 0.727 CB 1.504 12 residues pruned to eliminate duplicates Z: 12 11.144 2.021 0.559 0.395 0.818 0.455 CA 1.456 12 residues pruned to eliminate duplicates Z: 8 9.815 1.973 0.576 0.539 0.857 0.429 CA 1.339 Z: 11 12.875 1.789 0.324 0.837 1.000 0.800 CA 1.285 13 residues pruned to eliminate duplicates Z: 12 19.944 1.978 0.630 0.865 1.000 0.636 CB 1.367 12 residues pruned to eliminate duplicates Z: 19 28.269 2.182 0.801 0.808 0.833 0.556 CA 1.555 19 residues pruned to eliminate duplicates Z: 11 12.403 1.853 0.373 0.893 1.000 1.000 CB 1.106 11 residues pruned to eliminate duplicates Z: 14 18.755 2.107 1.119 0.445 0.769 0.615 CA 1.603 22 residues pruned to eliminate duplicates Z: 11 20.313 1.884 0.794 0.893 1.000 0.800 CA 1.365 12 residues pruned to eliminate duplicates Z: 12 15.004 2.002 0.195 0.848 1.000 0.909 CA 1.403 12 residues pruned to eliminate duplicates Z: 8 8.006 2.014 0.548 0.337 1.000 0.286 CB 1.159 8 residues pruned to eliminate duplicates Z: 30 32.961 2.105 0.894 0.565 0.931 0.448 CB 1.547 30 residues pruned to eliminate duplicates Z: 27 26.618 2.107 0.808 0.527 0.923 0.500 CA 1.445 27 residues pruned to eliminate duplicates Z: 23 16.337 2.037 0.553 0.484 0.727 0.409 CB 1.539 23 residues pruned to eliminate duplicates Z: 9 23.691 2.285 0.691 0.928 1.000 1.000 CA 1.517 9 residues pruned to eliminate duplicates Z: 37 41.856 2.217 0.960 0.693 0.972 0.639 CB 1.384 37 residues pruned to eliminate duplicates Z: 9 10.964 1.660 1.419 0.438 0.875 0.750 CB 1.176 Z: 13 22.788 2.188 0.639 0.887 0.917 0.833 CB 1.442 13 residues pruned to eliminate duplicates Z: 8 5.213 1.544 0.473 0.378 0.857 0.714 O 1.151 Z: 17 11.386 1.923 0.698 0.361 0.750 0.500 CB 1.351 17 residues pruned to eliminate duplicates Z: 7 4.090 1.520 0.157 0.614 0.833 0.667 O 1.022 Z: 7 7.415 1.629 0.581 0.763 1.000 0.833 CB 0.931 7 residues pruned to eliminate duplicates Z: 16 16.747 1.900 0.568 0.910 0.933 0.533 CB 1.103 16 residues pruned to eliminate duplicates Z: 18 46.461 2.308 1.425 0.856 0.941 0.353 CB 1.578 18 residues pruned to eliminate duplicates Z: 13 16.455 1.791 0.741 0.808 0.833 0.500 CB 1.398 13 residues pruned to eliminate duplicates Z: 19 36.947 2.035 1.091 0.922 1.000 0.500 CB 1.439 19 residues pruned to eliminate duplicates Z: 12 18.605 1.971 0.520 0.890 1.000 0.818 CA 1.347 12 residues pruned to eliminate duplicates Z: 105 58.561 2.226 0.796 0.549 0.865 0.538 CB 1.582 105 residues pruned to eliminate duplicates Z: 25 26.155 1.986 0.812 0.632 0.875 0.542 CB 1.498 25 residues pruned to eliminate duplicates Z: 17 12.719 1.816 0.695 0.838 0.750 0.375 CB 1.030 17 residues pruned to eliminate duplicates Z: 11 23.597 2.092 0.806 0.896 1.000 0.700 CA 1.415 11 residues pruned to eliminate duplicates Z: 26 27.766 2.168 0.860 0.552 0.920 0.720 CA 1.422 26 residues pruned to eliminate duplicates Z: 8 5.408 1.635 0.417 0.287 0.857 0.429 N 1.308 Z: 7 11.645 2.265 0.528 0.540 0.833 0.500 CB 1.585 7 residues pruned to eliminate duplicates Z: 109 73.731 2.263 0.801 0.651 0.917 0.639 CB 1.650 109 residues pruned to eliminate duplicates Z: 12 22.344 2.105 0.705 0.895 0.909 0.909 CB 1.480 12 residues pruned to eliminate duplicates Z: 25 28.202 2.213 0.780 0.545 0.917 0.375 CA 1.525 25 residues pruned to eliminate duplicates Z: 12 22.780 1.868 0.894 0.930 1.000 0.727 CA 1.357 34 residues pruned to eliminate duplicates Z: 10 14.006 1.989 0.331 0.827 0.889 0.667 CA 1.495 10 residues pruned to eliminate duplicates Z: 10 22.940 1.995 0.789 0.889 1.000 0.778 CB 1.543 10 residues pruned to eliminate duplicates Z: 11 16.392 1.935 0.511 0.922 1.000 1.000 CB 1.247 11 residues pruned to eliminate duplicates Z: 14 20.095 1.925 0.937 0.867 0.923 0.615 CB 1.185 14 residues pruned to eliminate duplicates Z: 17 18.636 1.861 0.466 0.832 1.000 0.562 CB 1.283 17 residues pruned to eliminate duplicates Z: 20 32.282 2.277 0.712 0.874 0.947 0.789 CA 1.459 20 residues pruned to eliminate duplicates Z: 10 18.535 1.954 0.538 0.872 1.000 1.000 CA 1.499 10 residues pruned to eliminate duplicates Z: 7 10.351 1.910 0.587 0.598 0.833 0.500 CB 1.523 7 residues pruned to eliminate duplicates Z: 10 7.979 1.749 0.686 0.446 0.778 0.556 CB 1.226 10 residues pruned to eliminate duplicates Z: 12 19.688 1.875 0.450 0.887 1.000 0.818 CA 1.573 12 residues pruned to eliminate duplicates Z: 11 13.302 1.873 0.517 0.896 1.000 0.900 CB 1.061 11 residues pruned to eliminate duplicates Z: 7 3.710 1.462 0.168 0.396 0.833 0.333 C 1.188 Z: 45 18.290 1.822 0.529 0.466 0.864 0.545 CB 1.186 32 residues pruned to eliminate duplicates Z: 50 49.428 2.307 0.905 0.526 0.939 0.612 CA 1.668 50 residues pruned to eliminate duplicates Z: 12 24.499 2.044 0.668 0.904 1.000 0.727 CA 1.544 12 residues pruned to eliminate duplicates Z: 149 79.124 2.228 0.868 0.551 0.919 0.554 CB 1.617 155 residues pruned to eliminate duplicates Z: 13 20.610 1.796 0.889 0.894 0.917 0.833 CB 1.372 13 residues pruned to eliminate duplicates Z: 19 14.723 1.981 0.456 0.579 0.833 0.500 CB 1.338 19 residues pruned to eliminate duplicates Z: 14 21.393 2.138 0.619 0.827 0.923 0.846 CB 1.399 14 residues pruned to eliminate duplicates Z: 11 24.856 2.075 1.176 0.921 0.900 0.700 CB 1.361 11 residues pruned to eliminate duplicates Z: 20 41.910 2.261 1.035 0.867 0.947 0.579 CA 1.613 20 residues pruned to eliminate duplicates Z: 19 35.190 2.287 0.904 0.892 0.889 0.833 CA 1.539 19 residues pruned to eliminate duplicates Z: 11 14.148 1.826 0.524 0.811 0.900 0.500 CB 1.363 11 residues pruned to eliminate duplicates Z: 13 25.460 1.905 0.677 0.921 1.000 0.750 CA 1.619 13 residues pruned to eliminate duplicates Z: 12 12.980 1.858 1.005 0.495 0.909 0.545 CA 1.161 Z: 8 8.095 1.667 0.151 0.647 1.000 0.714 CB 1.391 Z: 64 27.605 1.897 0.564 0.519 0.889 0.556 CB 1.294 73 residues pruned to eliminate duplicates Z: 41 48.650 2.279 0.847 0.713 0.975 0.500 CA 1.545 41 residues pruned to eliminate duplicates Z: 13 23.080 1.890 0.794 0.926 1.000 1.000 CB 1.378 13 residues pruned to eliminate duplicates Z: 20 35.997 2.226 0.779 0.852 0.947 0.684 CB 1.628 20 residues pruned to eliminate duplicates Z: 35 34.702 2.205 0.931 0.453 0.912 0.559 CA 1.608 35 residues pruned to eliminate duplicates Z: 8 4.120 1.854 -0.196 0.530 0.857 0.286 CB 1.183 9 residues pruned to eliminate duplicates Z: 16 28.316 2.016 0.948 0.912 0.933 0.800 CB 1.413 16 residues pruned to eliminate duplicates Z: 7 11.886 1.759 0.747 0.873 1.000 0.667 CB 1.150 7 residues pruned to eliminate duplicates Z: 8 11.867 1.657 0.954 0.749 1.000 0.571 CB 1.110 8 residues pruned to eliminate duplicates Z: 7 5.296 1.806 0.368 0.536 0.667 0.333 N 1.268 Z: 7 8.184 1.719 0.369 0.803 1.000 0.667 CA 1.089 7 residues pruned to eliminate duplicates Z: 50 41.908 2.214 0.774 0.509 0.959 0.551 CA 1.575 50 residues pruned to eliminate duplicates Z: 143 76.131 2.242 0.845 0.568 0.887 0.599 CB 1.630 143 residues pruned to eliminate duplicates Z: 12 15.961 1.905 0.814 0.872 1.000 0.818 CB 1.015 12 residues pruned to eliminate duplicates Z: 75 71.392 2.224 0.977 0.721 0.919 0.635 CB 1.682 75 residues pruned to eliminate duplicates Z: 21 32.458 2.173 0.690 0.857 0.900 0.900 CA 1.618 21 residues pruned to eliminate duplicates Z: 20 32.434 2.159 0.818 0.857 0.895 0.737 CA 1.561 20 residues pruned to eliminate duplicates Z: 14 29.129 2.256 0.658 0.892 1.000 0.769 CA 1.552 14 residues pruned to eliminate duplicates Z: 14 8.254 1.780 0.462 0.325 0.846 0.538 CB 1.260 14 residues pruned to eliminate duplicates Z: 13 30.756 2.250 1.328 0.857 0.917 0.750 CB 1.363 13 residues pruned to eliminate duplicates Z: 26 34.567 2.147 0.941 0.715 0.960 0.640 CA 1.422 24 residues pruned to eliminate duplicates Z: 175 89.476 2.255 0.868 0.608 0.908 0.638 CB 1.600 175 residues pruned to eliminate duplicates Z: 11 15.883 2.157 0.745 0.820 0.800 0.600 CB 1.263 11 residues pruned to eliminate duplicates Z: 7 5.185 1.684 0.633 0.342 0.833 0.167 CB 1.097 7 residues pruned to eliminate duplicates Z: 13 28.245 2.127 0.949 0.881 1.000 0.917 CB 1.424 13 residues pruned to eliminate duplicates Z: 11 15.255 1.909 0.435 0.938 1.000 1.000 CB 1.225 11 residues pruned to eliminate duplicates Z: 11 5.923 1.814 0.573 0.334 0.600 0.300 CA 1.312 11 residues pruned to eliminate duplicates Z: 8 8.944 1.578 0.355 0.700 1.000 0.571 CB 1.318 8 residues pruned to eliminate duplicates Z: 177 98.715 2.267 0.980 0.585 0.903 0.591 CB 1.692 177 residues pruned to eliminate duplicates Z: 12 20.515 2.288 0.487 0.889 1.000 0.818 CA 1.308 12 residues pruned to eliminate duplicates Z: 10 3.957 1.629 0.320 0.259 0.667 0.333 CB 1.212 8 residues pruned to eliminate duplicates Z: 17 26.907 2.105 0.823 0.898 1.000 0.812 CA 1.254 17 residues pruned to eliminate duplicates Z: 36 23.830 1.931 0.694 0.483 0.914 0.514 CB 1.370 36 residues pruned to eliminate duplicates Z: 20 26.910 2.170 0.767 0.847 0.842 0.474 CB 1.419 20 residues pruned to eliminate duplicates Z: 6 4.377 1.654 0.543 0.452 0.800 0.600 CB 1.008 Z: 27 14.435 1.866 0.454 0.438 0.923 0.500 CB 1.205 27 residues pruned to eliminate duplicates Z: 19 16.551 2.051 0.283 0.826 0.889 0.833 CA 1.258 19 residues pruned to eliminate duplicates Z: 13 18.214 1.860 0.865 0.830 1.000 0.333 CB 1.140 13 residues pruned to eliminate duplicates Z: 15 18.133 1.973 1.013 0.568 0.786 0.500 CA 1.455 15 residues pruned to eliminate duplicates Z: 22 32.970 2.182 0.824 0.877 0.952 0.571 CA 1.379 22 residues pruned to eliminate duplicates Z: 13 15.910 1.807 0.674 0.824 0.917 0.583 CB 1.252 13 residues pruned to eliminate duplicates Z: 15 25.008 2.142 0.898 0.849 0.929 0.857 CA 1.313 15 residues pruned to eliminate duplicates Z: 12 17.517 1.770 0.566 0.911 1.000 0.818 CB 1.351 12 residues pruned to eliminate duplicates Z: 32 23.796 2.140 0.754 0.353 0.903 0.387 CB 1.478 32 residues pruned to eliminate duplicates Z: 7 12.804 1.905 0.532 0.724 1.000 0.667 CB 1.464 7 residues pruned to eliminate duplicates Z: 43 38.200 2.180 0.719 0.578 0.952 0.619 CB 1.532 44 residues pruned to eliminate duplicates Z: 13 30.131 2.235 0.908 0.908 1.000 0.833 CA 1.449 13 residues pruned to eliminate duplicates Z: 13 23.353 2.245 0.528 0.845 1.000 0.833 CA 1.461 15 residues pruned to eliminate duplicates Z: 29 18.309 1.869 0.699 0.577 0.929 0.536 CB 1.090 29 residues pruned to eliminate duplicates Z: 18 26.685 2.130 0.721 0.846 0.882 0.588 CA 1.487 18 residues pruned to eliminate duplicates Z: 42 17.212 1.888 0.294 0.449 0.927 0.634 CB 1.251 35 residues pruned to eliminate duplicates Z: 9 8.809 1.529 0.627 0.812 1.000 0.375 N 0.955 Z: 14 18.739 1.715 0.938 0.873 1.000 0.692 CB 1.138 14 residues pruned to eliminate duplicates Z: 21 11.318 1.833 0.620 0.429 0.700 0.550 CB 1.310 19 residues pruned to eliminate duplicates Z: 37 25.874 2.122 0.767 0.488 0.833 0.528 CB 1.397 37 residues pruned to eliminate duplicates Z: 20 28.688 2.252 0.741 0.564 0.947 0.737 CB 1.666 20 residues pruned to eliminate duplicates Z: 25 29.709 2.129 0.802 0.693 0.875 0.750 CB 1.514 25 residues pruned to eliminate duplicates Z: 11 13.461 2.061 0.075 0.896 1.000 0.800 CB 1.376 11 residues pruned to eliminate duplicates Z: 13 17.960 1.838 0.678 0.831 0.917 0.500 CA 1.378 13 residues pruned to eliminate duplicates Z: 6 3.439 1.713 -0.006 0.498 0.800 0.800 CA 1.133 Z: 7 4.374 1.749 0.543 0.433 0.833 0.333 CB 0.851 Z: 40 32.489 2.120 0.696 0.542 0.897 0.538 CA 1.547 40 residues pruned to eliminate duplicates Z: 60 46.316 2.261 0.832 0.465 0.932 0.576 CA 1.618 60 residues pruned to eliminate duplicates Z: 54 46.039 2.206 0.882 0.613 0.868 0.528 CA 1.576 54 residues pruned to eliminate duplicates Z: 57 31.727 2.003 0.916 0.574 0.821 0.571 CB 1.253 60 residues pruned to eliminate duplicates Z: 25 35.510 2.194 0.832 0.697 0.917 0.833 CA 1.644 25 residues pruned to eliminate duplicates Z: 32 28.754 2.204 0.757 0.475 0.903 0.581 CA 1.514 32 residues pruned to eliminate duplicates Z: 6 4.176 1.436 0.461 0.833 0.800 0.400 C 0.835 Z: 7 4.803 1.874 0.155 0.399 0.667 0.333 C 1.512 7 residues pruned to eliminate duplicates Z: 51 52.983 2.267 0.900 0.654 0.920 0.660 CA 1.638 51 residues pruned to eliminate duplicates Z: 102 35.630 1.945 0.638 0.478 0.871 0.554 CB 1.306 103 residues pruned to eliminate duplicates Z: 10 6.499 1.788 0.620 0.265 0.778 0.667 N 1.257 Z: 7 2.480 1.613 0.337 0.693 1.000 0.500 CB 0.394 Z: 17 19.081 2.395 0.398 0.592 0.875 0.625 CA 1.491 17 residues pruned to eliminate duplicates Z: 12 15.797 1.830 0.902 0.858 1.000 0.636 CB 1.008 12 residues pruned to eliminate duplicates Z: 11 15.125 1.901 0.576 0.901 1.000 0.800 CB 1.139 11 residues pruned to eliminate duplicates Z: 37 26.250 2.136 0.765 0.412 0.833 0.444 CB 1.527 37 residues pruned to eliminate duplicates Z: 131 90.471 2.260 0.977 0.666 0.923 0.592 CA 1.651 131 residues pruned to eliminate duplicates Z: 6 4.920 1.880 -0.092 0.597 0.800 0.600 N 1.469 6 residues pruned to eliminate duplicates Z: 14 19.506 1.811 0.858 0.925 1.000 0.769 CA 1.129 14 residues pruned to eliminate duplicates Z: 62 35.119 2.045 0.823 0.539 0.803 0.574 CB 1.445 62 residues pruned to eliminate duplicates Z: 30 30.225 2.206 0.879 0.462 0.931 0.690 CA 1.511 30 residues pruned to eliminate duplicates Z: 11 11.944 1.969 0.478 0.574 0.800 0.400 CA 1.511 11 residues pruned to eliminate duplicates Z: 18 35.125 2.200 0.868 0.820 1.000 0.588 CB 1.571 18 residues pruned to eliminate duplicates Z: 37 35.623 2.127 0.721 0.590 0.917 0.639 CA 1.623 39 residues pruned to eliminate duplicates Z: 61 23.518 2.004 0.464 0.451 0.867 0.467 CB 1.255 68 residues pruned to eliminate duplicates Z: 11 19.981 1.850 0.786 0.878 1.000 0.900 CB 1.388 Z: 12 16.130 2.003 0.604 0.888 0.909 0.818 CB 1.200 12 residues pruned to eliminate duplicates Z: 12 19.445 2.026 0.639 0.863 0.909 0.727 CB 1.425 12 residues pruned to eliminate duplicates Z: 11 26.603 2.277 1.079 0.866 0.800 0.600 CA 1.626 11 residues pruned to eliminate duplicates Z: 35 26.919 1.991 0.595 0.606 0.912 0.676 CA 1.442 35 residues pruned to eliminate duplicates Z: 11 29.039 2.324 0.919 0.891 1.000 0.600 CB 1.480 11 residues pruned to eliminate duplicates Z: 7 8.614 1.644 0.483 0.828 1.000 0.500 CA 1.086 7 residues pruned to eliminate duplicates Z: 81 59.537 2.252 0.856 0.614 0.900 0.613 CB 1.588 81 residues pruned to eliminate duplicates Z: 24 27.190 2.264 0.486 0.582 0.957 0.783 CB 1.628 24 residues pruned to eliminate duplicates Z: 37 27.585 2.250 0.542 0.476 0.861 0.639 CB 1.578 37 residues pruned to eliminate duplicates Z: 11 18.109 1.846 0.847 0.881 0.900 0.700 CA 1.351 10 residues pruned to eliminate duplicates Z: 12 24.410 2.093 0.660 0.913 1.000 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 12 16.874 1.947 0.797 0.876 0.909 0.818 CA 1.163 12 residues pruned to eliminate duplicates Z: 12 4.262 1.572 0.520 0.444 0.636 0.182 CB 0.896 Z: 12 29.235 2.172 0.660 0.893 1.000 0.818 CA 1.754 12 residues pruned to eliminate duplicates Z: 66 61.662 2.291 0.760 0.712 0.923 0.646 CA 1.695 66 residues pruned to eliminate duplicates Z: 12 18.518 1.824 0.619 0.880 1.000 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 19 18.942 1.991 0.733 0.679 0.833 0.333 CA 1.317 19 residues pruned to eliminate duplicates Z: 13 6.110 1.727 0.429 0.415 0.833 0.417 CB 0.938 13 residues pruned to eliminate duplicates Z: 57 45.090 2.234 0.736 0.520 0.911 0.625 CB 1.673 57 residues pruned to eliminate duplicates Z: 7 8.181 2.039 0.396 0.434 1.000 0.500 CB 1.257 6 residues pruned to eliminate duplicates Z: 21 33.170 2.214 0.809 0.895 0.900 0.750 CA 1.475 21 residues pruned to eliminate duplicates Z: 17 32.907 2.210 0.633 0.903 1.000 0.812 CB 1.624 17 residues pruned to eliminate duplicates Z: 10 18.043 1.991 0.734 0.902 1.000 0.778 CB 1.243 10 residues pruned to eliminate duplicates Z: 13 15.212 1.987 0.702 0.602 0.833 0.333 CB 1.414 13 residues pruned to eliminate duplicates Z: 14 10.030 1.797 0.562 0.725 0.846 0.615 CB 0.956 14 residues pruned to eliminate duplicates Z: 7 6.963 1.791 0.499 0.371 0.833 0.500 CB 1.459 7 residues pruned to eliminate duplicates Z: 24 24.469 2.100 0.857 0.580 0.870 0.348 CB 1.394 24 residues pruned to eliminate duplicates Z: 24 12.164 1.603 0.707 0.455 0.783 0.478 CB 1.241 24 residues pruned to eliminate duplicates 6 1.544 1.370 0.078 0.406 0.600 0.400 CB 0.861 ? Z: 17 15.102 1.985 0.578 0.532 0.875 0.562 CB 1.336 17 residues pruned to eliminate duplicates Z: 6 12.845 1.962 0.977 0.620 1.000 0.600 CB 1.322 Z: 14 27.719 2.256 1.000 0.783 0.923 0.846 CA 1.439 14 residues pruned to eliminate duplicates Z: 11 24.754 1.986 0.761 0.921 1.000 0.800 CB 1.575 11 residues pruned to eliminate duplicates Z: 9 6.609 1.699 0.671 0.225 0.875 0.625 CB 1.297 Z: 12 38.413 2.385 1.243 0.826 1.000 0.636 CA 1.632 12 residues pruned to eliminate duplicates Z: 16 23.225 2.312 0.846 0.472 0.800 0.667 CA 1.807 16 residues pruned to eliminate duplicates Z: 9 2.809 1.628 -0.088 0.533 0.750 0.500 CB 0.864 3 residues pruned to eliminate duplicates Z: 6 8.150 1.823 0.797 0.599 0.800 0.400 CA 1.266 6 residues pruned to eliminate duplicates Z: 56 42.930 2.214 0.894 0.511 0.836 0.582 CA 1.632 56 residues pruned to eliminate duplicates Z: 42 27.207 2.116 0.780 0.480 0.829 0.585 CB 1.388 42 residues pruned to eliminate duplicates Z: 14 29.100 2.247 0.694 0.882 1.000 0.923 CB 1.534 14 residues pruned to eliminate duplicates Z: 21 26.618 2.123 1.045 0.789 0.850 0.450 CA 1.251 21 residues pruned to eliminate duplicates Z: 7 4.620 1.573 0.404 0.425 0.833 0.333 CA 1.107 Z: 13 25.542 2.178 0.951 0.788 0.917 0.583 CB 1.470 13 residues pruned to eliminate duplicates Z: 73 62.257 2.194 0.962 0.703 0.903 0.611 CB 1.569 73 residues pruned to eliminate duplicates Z: 19 19.013 1.762 0.669 0.662 0.944 0.500 CB 1.389 19 residues pruned to eliminate duplicates Z: 11 23.681 2.186 0.991 0.830 0.800 0.400 CB 1.617 11 residues pruned to eliminate duplicates Z: 7 2.821 1.698 -0.175 0.368 1.000 0.500 CB 0.947 7 residues pruned to eliminate duplicates Z: 11 5.163 1.751 0.096 0.391 0.900 0.500 CB 1.061 11 residues pruned to eliminate duplicates Z: 43 46.374 2.196 1.121 0.616 0.881 0.310 CB 1.562 43 residues pruned to eliminate duplicates Z: 14 36.703 2.282 1.064 0.896 1.000 0.462 CA 1.548 14 residues pruned to eliminate duplicates Z: 9 10.715 2.098 0.205 0.463 1.000 0.750 CA 1.556 9 residues pruned to eliminate duplicates Z: 60 46.829 2.203 0.936 0.502 0.915 0.610 CB 1.558 60 residues pruned to eliminate duplicates Z: 11 24.630 1.990 0.967 0.929 1.000 1.000 CA 1.393 11 residues pruned to eliminate duplicates Z: 12 13.640 1.965 0.428 0.727 0.818 0.545 CB 1.460 12 residues pruned to eliminate duplicates Z: 6 3.797 1.504 0.387 0.685 1.000 0.200 CB 0.687 Z: 6 13.713 1.908 0.755 0.841 1.000 0.800 CA 1.365 Z: 22 29.538 2.045 0.961 0.843 0.810 0.429 CA 1.478 22 residues pruned to eliminate duplicates Z: 13 29.883 2.040 0.855 0.928 1.000 0.917 CA 1.596 13 residues pruned to eliminate duplicates Z: 67 52.433 2.235 0.877 0.540 0.924 0.652 CB 1.602 66 residues pruned to eliminate duplicates Z: 8 11.328 1.904 0.617 0.694 1.000 0.714 N 1.165 Z: 13 12.703 1.834 0.320 0.881 1.000 0.833 CB 1.096 13 residues pruned to eliminate duplicates Z: 8 4.076 1.406 0.929 0.462 0.714 0.429 CA 0.826 Z: 116 82.309 2.290 0.849 0.672 0.939 0.678 CA 1.648 116 residues pruned to eliminate duplicates Z: 12 16.364 1.848 0.436 0.885 1.000 0.818 CB 1.342 12 residues pruned to eliminate duplicates Z: 13 11.015 1.858 0.338 0.865 0.917 0.833 CB 1.023 13 residues pruned to eliminate duplicates Z: 16 21.544 1.995 0.660 0.873 0.933 0.600 CB 1.311 16 residues pruned to eliminate duplicates Z: 19 32.901 2.109 0.862 0.854 0.944 0.611 CB 1.544 19 residues pruned to eliminate duplicates Z: 40 31.079 2.119 1.116 0.455 0.846 0.410 CB 1.374 38 residues pruned to eliminate duplicates Z: 33 33.646 2.257 0.700 0.506 0.938 0.656 CA 1.643 33 residues pruned to eliminate duplicates Z: 8 7.569 2.066 0.563 0.307 0.714 0.286 CA 1.537 8 residues pruned to eliminate duplicates Z: 17 10.760 1.822 0.572 0.540 0.688 0.188 CB 1.313 17 residues pruned to eliminate duplicates Z: 11 12.014 1.874 0.263 0.853 1.000 0.700 CB 1.187 11 residues pruned to eliminate duplicates Z: 13 18.231 1.808 0.931 0.876 0.833 0.667 CA 1.314 13 residues pruned to eliminate duplicates Z: 8 10.998 1.711 1.053 0.716 0.857 0.714 N 1.136 Z: 41 36.451 2.178 0.604 0.556 0.950 0.700 CA 1.645 42 residues pruned to eliminate duplicates Z: 22 32.164 2.189 0.741 0.811 0.952 0.762 CA 1.475 22 residues pruned to eliminate duplicates Z: 50 48.217 2.250 0.949 0.555 0.939 0.694 CA 1.586 50 residues pruned to eliminate duplicates Z: 6 3.752 1.839 -0.039 0.865 1.000 0.800 CB 0.696 6 residues pruned to eliminate duplicates Z: 12 18.660 1.898 0.818 0.866 0.909 0.545 CA 1.313 12 residues pruned to eliminate duplicates Z: 11 3.046 1.480 0.214 0.300 0.600 0.600 CB 1.117 8 residues pruned to eliminate duplicates Z: 18 27.965 2.178 0.966 0.880 0.882 0.588 CB 1.301 18 residues pruned to eliminate duplicates Z: 27 18.502 2.013 0.651 0.423 0.769 0.538 CA 1.537 27 residues pruned to eliminate duplicates 7 1.946 1.471 0.415 0.248 0.500 0.333 N 1.020 ? Z: 17 5.600 1.747 0.047 0.338 0.812 0.625 CB 1.125 17 residues pruned to eliminate duplicates Z: 14 18.254 1.895 0.731 0.745 0.923 0.846 CB 1.343 14 residues pruned to eliminate duplicates Z: 20 24.112 2.087 0.776 0.429 0.947 0.632 CB 1.696 20 residues pruned to eliminate duplicates Z: 36 27.422 2.012 0.825 0.502 0.829 0.571 CA 1.521 36 residues pruned to eliminate duplicates Z: 11 2.767 1.401 0.507 0.250 0.600 0.300 CA 0.921 Z: 20 24.559 2.153 0.707 0.779 0.842 0.421 CB 1.424 20 residues pruned to eliminate duplicates Z: 21 7.720 1.744 0.279 0.367 0.800 0.400 CB 1.116 20 residues pruned to eliminate duplicates Z: 129 82.565 2.243 0.979 0.645 0.891 0.531 CB 1.612 129 residues pruned to eliminate duplicates Z: 84 59.267 2.233 0.924 0.611 0.855 0.506 CB 1.593 84 residues pruned to eliminate duplicates Z: 19 31.294 2.107 0.950 0.837 0.944 0.778 CA 1.422 19 residues pruned to eliminate duplicates Z: 7 3.178 1.304 0.896 0.250 0.667 0.500 N 1.050 Z: 10 15.607 1.961 0.662 0.853 1.000 0.889 CB 1.180 10 residues pruned to eliminate duplicates Z: 48 28.630 2.033 0.782 0.487 0.894 0.468 CB 1.307 48 residues pruned to eliminate duplicates Z: 12 5.697 1.475 0.653 0.356 0.818 0.364 CB 1.006 12 residues pruned to eliminate duplicates Z: 15 19.278 1.868 0.839 0.694 0.929 0.571 CB 1.353 15 residues pruned to eliminate duplicates Z: 67 59.493 2.176 0.966 0.617 0.894 0.545 CB 1.714 67 residues pruned to eliminate duplicates Z: 6 3.249 1.633 0.317 0.638 0.600 0.600 CB 0.990 6 residues pruned to eliminate duplicates Z: 22 19.401 1.881 0.833 0.598 0.952 0.476 CB 1.174 22 residues pruned to eliminate duplicates Z: 14 8.170 2.050 0.081 0.817 0.692 0.692 CA 1.122 14 residues pruned to eliminate duplicates Z: 12 25.237 2.087 0.613 0.908 1.000 1.000 CA 1.606 12 residues pruned to eliminate duplicates Z: 11 3.755 1.644 0.780 0.458 0.800 0.400 CB 0.529 Z: 8 5.182 1.708 0.409 0.432 0.714 0.429 N 1.221 Z: 12 27.475 1.890 1.260 0.895 1.000 0.818 CB 1.389 12 residues pruned to eliminate duplicates Z: 8 3.258 1.631 0.100 0.393 0.857 0.571 CB 0.897 Z: 11 18.259 1.950 0.397 0.848 1.000 0.800 CB 1.572 11 residues pruned to eliminate duplicates Z: 24 22.629 2.315 0.579 0.497 0.870 0.652 CB 1.488 24 residues pruned to eliminate duplicates Z: 41 29.838 2.058 0.755 0.506 0.850 0.575 CB 1.527 41 residues pruned to eliminate duplicates Z: 16 33.830 2.199 1.289 0.894 0.800 0.333 CB 1.556 16 residues pruned to eliminate duplicates Z: 6 2.054 1.343 0.537 0.300 0.800 0.600 CB 0.695 6 1.048 1.192 0.072 0.387 1.000 0.400 CB 0.413 ? Z: 6 2.016 1.292 0.310 0.318 0.800 0.400 CA 0.814 Z: 6 5.549 1.612 0.227 0.856 1.000 0.600 CB 0.925 Z: 15 17.471 1.919 0.545 0.708 0.929 0.643 CA 1.404 15 residues pruned to eliminate duplicates Z: 15 20.399 1.793 0.772 0.814 1.000 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 9 7.547 1.810 -0.068 0.546 1.000 0.750 CB 1.512 Z: 9 3.211 1.481 0.237 0.433 0.625 0.375 CB 1.062 Z: 19 32.074 2.137 1.127 0.840 0.889 0.722 CA 1.397 19 residues pruned to eliminate duplicates Z: 11 15.767 1.684 0.643 0.851 1.000 0.600 O 1.333 11 residues pruned to eliminate duplicates Z: 41 21.929 2.031 0.720 0.471 0.825 0.500 CB 1.239 41 residues pruned to eliminate duplicates Z: 8 7.407 1.546 0.302 0.763 1.000 0.857 CA 1.101 8 residues pruned to eliminate duplicates Z: 8 8.631 1.968 0.931 0.371 0.714 0.429 CB 1.380 9 residues pruned to eliminate duplicates Z: 7 2.686 1.355 0.701 0.250 0.667 0.333 CB 0.952 6 0.316 1.194 0.830 0.761 1.000 0.600 CB 0.051 ? Z: 10 4.643 1.609 0.399 0.195 0.778 0.333 CB 1.272 Z: 38 22.971 1.962 0.707 0.434 0.919 0.514 CB 1.313 38 residues pruned to eliminate duplicates Z: 12 16.898 1.820 0.633 0.877 1.000 0.727 CA 1.245 12 residues pruned to eliminate duplicates Z: 13 14.869 1.963 0.566 0.870 0.833 0.833 CB 1.223 13 residues pruned to eliminate duplicates Z: 12 7.710 1.788 0.432 0.399 0.818 0.545 CB 1.234 12 residues pruned to eliminate duplicates Z: 6 3.315 1.497 0.431 0.515 0.800 0.400 CB 0.853 Z: 13 16.151 1.775 0.624 0.932 1.000 0.917 CB 1.130 12 residues pruned to eliminate duplicates Z: 8 10.359 1.884 0.237 0.820 1.000 0.714 CA 1.272 8 residues pruned to eliminate duplicates Z: 12 14.180 1.772 0.342 0.811 1.000 0.909 CB 1.371 12 residues pruned to eliminate duplicates Z: 8 9.214 1.867 0.584 0.343 1.000 0.714 CA 1.396 8 residues pruned to eliminate duplicates Z: 95 63.782 2.218 0.866 0.635 0.915 0.628 CA 1.531 95 residues pruned to eliminate duplicates 6 1.070 1.405 0.128 0.157 0.600 0.400 CB 0.767 ? Z: 29 18.852 2.113 0.715 0.274 0.821 0.536 CB 1.545 29 residues pruned to eliminate duplicates Z: 6 4.014 1.423 0.168 0.879 1.000 0.800 CB 0.784 Z: 7 2.307 1.730 -0.343 0.559 0.833 0.500 CB 0.939 Z: 6 2.227 1.693 0.145 0.121 0.800 0.400 CB 1.033 6 residues pruned to eliminate duplicates Z: 8 7.677 1.627 0.617 0.511 0.857 0.714 CB 1.273 Z: 42 21.223 1.853 0.711 0.529 0.829 0.439 CB 1.225 50 residues pruned to eliminate duplicates Z: 12 10.741 1.796 0.178 0.873 1.000 0.909 CB 1.115 12 residues pruned to eliminate duplicates Z: 7 4.011 1.575 0.237 0.609 1.000 0.500 CB 0.758 Z: 9 6.413 2.033 0.203 0.425 0.750 0.625 CB 1.336 9 residues pruned to eliminate duplicates Z: 8 5.715 1.653 0.185 0.513 1.000 0.857 CB 1.089 8 residues pruned to eliminate duplicates Z: 86 52.302 2.158 0.754 0.638 0.894 0.529 CB 1.474 86 residues pruned to eliminate duplicates Z: 11 3.378 1.596 0.187 0.200 0.700 0.300 CA 1.151 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 29 17.527 1.839 0.644 0.455 0.857 0.607 CB 1.338 29 residues pruned to eliminate duplicates Z: 38 19.830 1.795 0.564 0.480 0.865 0.514 CB 1.370 50 residues pruned to eliminate duplicates Z: 12 18.741 1.983 0.646 0.811 0.909 0.727 CB 1.452 12 residues pruned to eliminate duplicates Z: 30 16.881 1.916 0.413 0.544 0.897 0.586 CB 1.236 30 residues pruned to eliminate duplicates Z: 31 17.771 1.796 0.583 0.560 0.867 0.633 CB 1.243 31 residues pruned to eliminate duplicates Z: 30 14.955 1.786 0.570 0.497 0.793 0.517 CB 1.252 30 residues pruned to eliminate duplicates Z: 23 16.291 1.809 0.682 0.556 0.818 0.409 CB 1.322 23 residues pruned to eliminate duplicates Z: 44 20.678 1.850 0.634 0.464 0.860 0.512 CB 1.258 44 residues pruned to eliminate duplicates Z: 18 16.385 1.771 0.726 0.606 0.882 0.706 CB 1.332 18 residues pruned to eliminate duplicates Z: 51 54.383 2.240 0.835 0.766 0.960 0.760 CA 1.539 51 residues pruned to eliminate duplicates Z: 59 55.654 2.185 0.864 0.706 0.948 0.655 CB 1.568 59 residues pruned to eliminate duplicates Z: 55 50.680 2.155 0.813 0.733 0.944 0.778 CA 1.516 55 residues pruned to eliminate duplicates Z: 64 55.544 2.142 0.944 0.706 0.937 0.683 CB 1.488 64 residues pruned to eliminate duplicates Z: 127 68.665 2.145 1.001 0.602 0.897 0.500 CB 1.443 127 residues pruned to eliminate duplicates Z: 91 74.243 2.214 0.955 0.721 0.944 0.667 CB 1.569 96 residues pruned to eliminate duplicates Z: 14 36.218 2.298 1.020 0.918 1.000 0.846 CA 1.526 14 residues pruned to eliminate duplicates Z: 125 71.740 2.198 0.895 0.637 0.895 0.637 CB 1.519 125 residues pruned to eliminate duplicates Z: 89 63.427 2.158 0.879 0.647 0.943 0.591 CB 1.540 89 residues pruned to eliminate duplicates Z: 16 31.352 2.168 0.997 0.751 0.933 0.533 CB 1.602 16 residues pruned to eliminate duplicates Z: 18 32.398 2.133 1.092 0.758 1.000 0.471 CB 1.400 18 residues pruned to eliminate duplicates Z: 109 64.871 2.158 0.903 0.667 0.907 0.593 CB 1.436 109 residues pruned to eliminate duplicates Z: 8 7.703 1.841 0.691 0.545 1.000 0.857 CB 0.895 8 residues pruned to eliminate duplicates Z: 7 8.195 2.070 0.326 0.506 0.833 0.500 CB 1.453 7 residues pruned to eliminate duplicates Z: 13 6.492 1.708 0.670 0.233 0.833 0.583 CB 1.076 13 residues pruned to eliminate duplicates Z: 8 5.780 1.820 0.667 0.405 0.857 0.714 CB 0.928 8 residues pruned to eliminate duplicates Z: 33 35.582 2.288 0.759 0.692 0.938 0.594 CB 1.398 33 residues pruned to eliminate duplicates Z: 35 35.096 2.220 0.858 0.631 0.912 0.647 CB 1.415 35 residues pruned to eliminate duplicates Z: 91 65.457 2.206 0.885 0.699 0.900 0.656 CB 1.538 91 residues pruned to eliminate duplicates Z: 36 41.245 2.288 1.068 0.619 0.914 0.543 CB 1.440 36 residues pruned to eliminate duplicates Z: 126 63.404 2.116 0.934 0.605 0.856 0.624 CB 1.465 126 residues pruned to eliminate duplicates Z: 36 38.938 2.208 1.019 0.633 0.914 0.457 CB 1.425 36 residues pruned to eliminate duplicates Z: 34 44.445 2.272 1.028 0.695 0.909 0.545 CB 1.546 37 residues pruned to eliminate duplicates Z: 18 49.113 2.392 1.217 0.830 1.000 0.706 CA 1.688 18 residues pruned to eliminate duplicates Z: 132 72.167 2.174 0.833 0.651 0.924 0.519 CB 1.489 132 residues pruned to eliminate duplicates Z: 128 74.698 2.211 0.804 0.670 0.945 0.598 CB 1.503 128 residues pruned to eliminate duplicates Z: 124 68.694 2.139 0.787 0.669 0.943 0.545 CB 1.469 124 residues pruned to eliminate duplicates Z: 46 35.351 2.064 0.967 0.551 0.911 0.444 CB 1.356 46 residues pruned to eliminate duplicates Z: 123 74.542 2.198 0.885 0.674 0.934 0.598 CB 1.485 123 residues pruned to eliminate duplicates Z: 47 47.535 2.224 0.898 0.698 0.913 0.609 CB 1.517 47 residues pruned to eliminate duplicates Z: 45 36.771 2.148 1.041 0.593 0.864 0.477 CB 1.339 45 residues pruned to eliminate duplicates Z: 35 43.942 2.232 1.169 0.656 0.971 0.353 CB 1.387 35 residues pruned to eliminate duplicates Z: 89 65.093 2.207 0.827 0.712 0.932 0.648 CB 1.523 89 residues pruned to eliminate duplicates Z: 35 33.755 2.219 1.102 0.613 0.824 0.382 CB 1.354 35 residues pruned to eliminate duplicates Z: 32 40.142 2.288 0.994 0.744 0.903 0.452 CB 1.406 32 residues pruned to eliminate duplicates Z: 48 39.058 2.089 0.990 0.584 0.915 0.489 CB 1.382 48 residues pruned to eliminate duplicates Z: 131 66.807 2.160 0.782 0.649 0.908 0.615 CB 1.460 131 residues pruned to eliminate duplicates Z: 36 35.057 2.218 0.993 0.703 0.857 0.543 CB 1.300 36 residues pruned to eliminate duplicates Z: 76 56.827 2.186 0.814 0.703 0.920 0.627 CB 1.495 76 residues pruned to eliminate duplicates Z: 88 72.480 2.219 0.986 0.725 0.943 0.644 CB 1.527 88 residues pruned to eliminate duplicates Z: 128 72.082 2.171 0.919 0.638 0.921 0.622 CB 1.464 128 residues pruned to eliminate duplicates Z: 117 70.532 2.199 0.917 0.657 0.914 0.578 CB 1.470 117 residues pruned to eliminate duplicates Z: 46 35.139 2.116 1.010 0.576 0.844 0.489 CB 1.356 46 residues pruned to eliminate duplicates Z: 34 44.865 2.285 1.112 0.682 0.970 0.515 CB 1.413 34 residues pruned to eliminate duplicates Z: 45 36.450 2.093 1.032 0.565 0.864 0.455 CB 1.405 45 residues pruned to eliminate duplicates Z: 83 55.831 2.175 0.807 0.672 0.915 0.610 CB 1.463 78 residues pruned to eliminate duplicates Z: 11 18.467 1.970 0.674 0.867 1.000 0.800 CB 1.296 11 residues pruned to eliminate duplicates Z: 39 42.204 2.185 1.059 0.667 0.895 0.579 CB 1.458 39 residues pruned to eliminate duplicates Z: 116 67.406 2.199 0.815 0.662 0.913 0.661 CB 1.485 116 residues pruned to eliminate duplicates Z: 40 37.727 2.188 0.949 0.611 0.872 0.513 CB 1.464 40 residues pruned to eliminate duplicates Z: 54 41.499 2.215 0.907 0.573 0.811 0.547 CB 1.550 54 residues pruned to eliminate duplicates Z: 128 87.004 2.242 0.996 0.655 0.921 0.661 CB 1.621 128 residues pruned to eliminate duplicates Z: 129 79.742 2.237 0.906 0.653 0.891 0.609 CB 1.609 129 residues pruned to eliminate duplicates Z: 98 76.051 2.217 1.002 0.702 0.938 0.660 CA 1.543 98 residues pruned to eliminate duplicates Z: 92 52.250 2.211 0.749 0.483 0.890 0.593 CB 1.619 92 residues pruned to eliminate duplicates Z: 82 57.142 2.238 0.836 0.586 0.877 0.605 CA 1.624 82 residues pruned to eliminate duplicates Z: 36 33.163 2.145 0.803 0.612 0.886 0.486 CA 1.471 36 residues pruned to eliminate duplicates Z: 99 67.361 2.219 0.881 0.621 0.929 0.612 CB 1.566 99 residues pruned to eliminate duplicates Z: 110 70.557 2.201 0.931 0.628 0.917 0.615 CA 1.537 110 residues pruned to eliminate duplicates Z: 94 65.601 2.257 0.844 0.623 0.903 0.581 CB 1.611 94 residues pruned to eliminate duplicates Z: 198 100.717 2.230 0.926 0.649 0.914 0.629 CB 1.592 304 residues pruned to eliminate duplicates Z: 10 28.988 2.340 1.074 0.920 1.000 0.889 CB 1.402 10 residues pruned to eliminate duplicates Z: 31 37.481 2.324 0.921 0.557 0.900 0.567 CB 1.612 31 residues pruned to eliminate duplicates Z: 54 38.976 2.227 0.779 0.536 0.811 0.491 CB 1.607 54 residues pruned to eliminate duplicates Z: 27 23.616 2.258 0.707 0.462 0.731 0.500 CA 1.710 27 residues pruned to eliminate duplicates Z: 125 82.888 2.259 0.935 0.648 0.911 0.613 CB 1.628 125 residues pruned to eliminate duplicates Z: 29 36.230 2.296 0.848 0.529 0.929 0.500 CB 1.688 29 residues pruned to eliminate duplicates Z: 20 26.163 2.366 0.824 0.429 0.842 0.526 CB 1.778 20 residues pruned to eliminate duplicates Z: 20 26.837 2.333 0.920 0.444 0.842 0.579 CA 1.730 20 residues pruned to eliminate duplicates Z: 53 40.138 2.167 0.768 0.524 0.904 0.481 CB 1.570 53 residues pruned to eliminate duplicates Z: 120 80.373 2.209 0.982 0.625 0.924 0.546 CB 1.619 125 residues pruned to eliminate duplicates Z: 9 9.414 1.816 0.561 0.511 1.000 0.750 CA 1.162 9 residues pruned to eliminate duplicates Z: 121 72.242 2.202 0.913 0.627 0.892 0.558 CB 1.558 121 residues pruned to eliminate duplicates Z: 30 24.435 2.187 0.837 0.439 0.759 0.414 CB 1.585 30 residues pruned to eliminate duplicates Z: 19 18.439 2.235 0.647 0.362 0.833 0.556 CB 1.644 19 residues pruned to eliminate duplicates Z: 17 20.914 2.380 0.649 0.416 0.875 0.688 CA 1.661 17 residues pruned to eliminate duplicates Z: 29 26.140 2.253 0.784 0.539 0.750 0.571 CB 1.578 29 residues pruned to eliminate duplicates Z: 128 75.299 2.174 0.998 0.614 0.882 0.528 CB 1.566 128 residues pruned to eliminate duplicates Z: 20 24.232 2.375 0.873 0.475 0.737 0.632 CA 1.739 20 residues pruned to eliminate duplicates Z: 43 35.168 2.217 0.746 0.548 0.881 0.429 CB 1.518 43 residues pruned to eliminate duplicates Z: 21 25.407 2.313 0.757 0.433 0.850 0.500 CA 1.762 21 residues pruned to eliminate duplicates Z: 128 77.294 2.198 0.903 0.636 0.921 0.543 CB 1.567 128 residues pruned to eliminate duplicates Z: 40 34.665 2.323 0.604 0.450 0.897 0.513 CA 1.747 40 residues pruned to eliminate duplicates Z: 20 26.992 2.324 0.859 0.430 0.895 0.474 CB 1.723 20 residues pruned to eliminate duplicates Z: 52 47.578 2.174 0.899 0.627 0.882 0.627 CA 1.623 52 residues pruned to eliminate duplicates Z: 127 87.200 2.301 0.856 0.657 0.937 0.675 CA 1.679 127 residues pruned to eliminate duplicates Z: 88 69.938 2.249 0.865 0.689 0.908 0.632 CA 1.656 88 residues pruned to eliminate duplicates Z: 128 88.375 2.295 0.855 0.668 0.937 0.693 CA 1.682 128 residues pruned to eliminate duplicates Z: 134 88.830 2.291 0.914 0.642 0.910 0.624 CA 1.691 142 residues pruned to eliminate duplicates Z: 78 65.022 2.260 0.801 0.710 0.896 0.701 CA 1.679 78 residues pruned to eliminate duplicates Z: 121 85.352 2.278 0.918 0.648 0.917 0.625 CB 1.694 121 residues pruned to eliminate duplicates Z: 127 90.400 2.308 0.880 0.665 0.921 0.627 CA 1.730 127 residues pruned to eliminate duplicates Z: 125 85.810 2.289 0.852 0.671 0.911 0.597 CA 1.702 125 residues pruned to eliminate duplicates Z: 130 90.925 2.288 0.961 0.647 0.930 0.651 CA 1.671 130 residues pruned to eliminate duplicates Z: 44 57.300 2.240 1.068 0.678 0.930 0.488 CB 1.721 Z: 126 88.996 2.295 0.919 0.664 0.912 0.632 CA 1.702 170 residues pruned to eliminate duplicates Z: 41 58.080 2.201 1.098 0.653 0.975 0.475 CB 1.770 Z: 17 36.516 2.211 1.143 0.898 0.938 0.750 CA 1.470 17 residues pruned to eliminate duplicates Z: 70 67.195 2.273 0.876 0.720 0.913 0.565 CA 1.703 111 residues pruned to eliminate duplicates Z: 82 74.292 2.301 0.866 0.719 0.938 0.593 CA 1.682 82 residues pruned to eliminate duplicates Z: 129 83.441 2.241 0.890 0.639 0.938 0.641 CA 1.631 129 residues pruned to eliminate duplicates Z: 112 85.111 2.292 0.904 0.697 0.937 0.694 CA 1.651 112 residues pruned to eliminate duplicates Z: 92 77.295 2.316 0.829 0.722 0.945 0.736 CA 1.656 92 residues pruned to eliminate duplicates Z: 117 83.704 2.264 0.909 0.681 0.922 0.629 CA 1.651 117 residues pruned to eliminate duplicates Z: 169 88.040 2.236 0.807 0.605 0.911 0.631 CB 1.671 169 residues pruned to eliminate duplicates Z: 168 93.661 2.241 0.885 0.611 0.928 0.641 CA 1.664 168 residues pruned to eliminate duplicates Z: 130 87.617 2.273 0.877 0.661 0.938 0.566 CA 1.661 130 residues pruned to eliminate duplicates Z: 128 85.267 2.300 0.837 0.652 0.921 0.646 CA 1.686 128 residues pruned to eliminate duplicates Z: 130 86.230 2.285 0.900 0.646 0.922 0.682 CA 1.654 130 residues pruned to eliminate duplicates Z: 92 73.450 2.259 0.898 0.698 0.923 0.692 CA 1.624 92 residues pruned to eliminate duplicates Z: 65 65.090 2.262 0.848 0.734 0.938 0.594 CA 1.682 65 residues pruned to eliminate duplicates Z: 48 49.222 2.210 0.952 0.647 0.894 0.723 CA 1.623 48 residues pruned to eliminate duplicates Z: 97 68.389 2.202 0.812 0.671 0.917 0.635 CA 1.629 97 residues pruned to eliminate duplicates Z: 66 61.979 2.260 0.823 0.723 0.938 0.738 CA 1.626 66 residues pruned to eliminate duplicates Z: 51 47.416 2.202 0.847 0.608 0.900 0.700 CA 1.653 51 residues pruned to eliminate duplicates Z: 127 85.476 2.289 0.874 0.659 0.913 0.643 CA 1.678 127 residues pruned to eliminate duplicates Z: 44 57.690 2.263 1.010 0.718 0.953 0.767 CA 1.665 44 residues pruned to eliminate duplicates Z: 132 86.658 2.269 0.949 0.648 0.916 0.672 CA 1.627 132 residues pruned to eliminate duplicates Z: 49 62.274 2.293 0.958 0.743 0.938 0.729 CA 1.718 49 residues pruned to eliminate duplicates Z: 109 81.691 2.295 0.847 0.695 0.926 0.657 CA 1.675 109 residues pruned to eliminate duplicates Z: 104 78.261 2.273 0.898 0.676 0.922 0.621 CA 1.647 104 residues pruned to eliminate duplicates Z: 120 82.607 2.287 0.940 0.650 0.908 0.538 CB 1.636 120 residues pruned to eliminate duplicates Z: 124 81.614 2.271 0.892 0.635 0.902 0.537 CB 1.672 124 residues pruned to eliminate duplicates Z: 142 81.428 2.237 0.850 0.586 0.915 0.638 CB 1.668 142 residues pruned to eliminate duplicates Z: 71 63.698 2.232 0.901 0.662 0.900 0.586 CB 1.716 71 residues pruned to eliminate duplicates Z: 66 59.028 2.212 0.930 0.624 0.892 0.631 CA 1.710 66 residues pruned to eliminate duplicates Z: 125 68.887 2.215 0.843 0.606 0.871 0.548 CB 1.573 125 residues pruned to eliminate duplicates Z: 82 64.614 2.298 0.948 0.628 0.877 0.617 CB 1.622 82 residues pruned to eliminate duplicates Z: 69 68.339 2.273 0.968 0.702 0.897 0.647 CA 1.718 69 residues pruned to eliminate duplicates Z: 95 81.601 2.242 1.031 0.699 0.926 0.628 CA 1.666 95 residues pruned to eliminate duplicates Z: 121 85.457 2.290 0.942 0.648 0.892 0.575 CB 1.714 121 residues pruned to eliminate duplicates Z: 88 86.202 2.286 1.049 0.712 0.954 0.632 CA 1.707 88 residues pruned to eliminate duplicates Z: 70 51.352 2.201 0.903 0.598 0.899 0.623 CB 1.495 70 residues pruned to eliminate duplicates Z: 85 61.292 2.225 0.782 0.568 0.952 0.571 CA 1.659 85 residues pruned to eliminate duplicates Z: 84 60.604 2.281 0.837 0.595 0.904 0.627 CB 1.605 84 residues pruned to eliminate duplicates Z: 81 61.563 2.290 0.820 0.605 0.913 0.625 CA 1.638 81 residues pruned to eliminate duplicates Z: 47 64.099 2.299 1.025 0.769 0.935 0.609 CB 1.711 47 residues pruned to eliminate duplicates Z: 83 59.809 2.244 0.774 0.602 0.939 0.573 CB 1.603 83 residues pruned to eliminate duplicates Z: 130 86.458 2.265 0.934 0.653 0.884 0.620 CA 1.705 130 residues pruned to eliminate duplicates Z: 52 59.536 2.304 0.954 0.681 0.961 0.627 CA 1.632 52 residues pruned to eliminate duplicates Z: 129 88.371 2.274 1.004 0.636 0.906 0.633 CB 1.665 129 residues pruned to eliminate duplicates Z: 84 58.340 2.228 0.870 0.589 0.892 0.518 CB 1.583 84 residues pruned to eliminate duplicates Z: 123 89.707 2.270 1.043 0.653 0.918 0.648 CB 1.654 123 residues pruned to eliminate duplicates Z: 128 96.662 2.301 0.966 0.677 0.961 0.724 CA 1.677 128 residues pruned to eliminate duplicates Z: 82 62.240 2.287 0.819 0.605 0.926 0.605 CA 1.626 82 residues pruned to eliminate duplicates Z: 132 89.304 2.270 0.968 0.659 0.908 0.557 CB 1.659 132 residues pruned to eliminate duplicates Z: 127 87.585 2.295 0.940 0.652 0.905 0.556 CA 1.682 127 residues pruned to eliminate duplicates Z: 170 95.499 2.255 0.884 0.601 0.935 0.621 CB 1.680 169 residues pruned to eliminate duplicates Z: 15 28.146 2.256 0.833 0.770 0.929 0.571 CA 1.542 15 residues pruned to eliminate duplicates Z: 124 81.475 2.267 0.873 0.634 0.894 0.667 CA 1.706 124 residues pruned to eliminate duplicates Z: 118 85.114 2.259 1.002 0.683 0.906 0.658 CB 1.625 118 residues pruned to eliminate duplicates Z: 124 88.898 2.283 0.940 0.653 0.927 0.593 CB 1.694 124 residues pruned to eliminate duplicates Z: 126 86.740 2.272 1.006 0.638 0.904 0.608 CB 1.655 126 residues pruned to eliminate duplicates Z: 63 61.240 2.306 0.979 0.673 0.871 0.677 CB 1.668 63 residues pruned to eliminate duplicates Z: 83 61.598 2.277 0.888 0.600 0.890 0.598 CA 1.616 83 residues pruned to eliminate duplicates Z: 81 65.848 2.273 0.895 0.656 0.925 0.600 CB 1.598 81 residues pruned to eliminate duplicates Z: 57 60.815 2.333 1.017 0.659 0.911 0.536 CB 1.636 57 residues pruned to eliminate duplicates Z: 83 59.611 2.283 0.773 0.596 0.902 0.585 CA 1.644 83 residues pruned to eliminate duplicates Z: 106 76.657 2.263 0.889 0.665 0.905 0.638 CA 1.661 106 residues pruned to eliminate duplicates Z: 131 83.923 2.254 0.903 0.630 0.908 0.538 CB 1.674 131 residues pruned to eliminate duplicates Z: 105 84.020 2.285 0.908 0.689 0.952 0.635 CA 1.670 105 residues pruned to eliminate duplicates Z: 25 32.133 2.312 0.861 0.551 0.958 0.458 CA 1.513 25 residues pruned to eliminate duplicates Z: 112 86.481 2.247 1.009 0.654 0.946 0.541 CB 1.666 112 residues pruned to eliminate duplicates Z: 83 59.569 2.234 0.873 0.585 0.915 0.573 CA 1.585 83 residues pruned to eliminate duplicates Z: 83 57.919 2.252 0.877 0.588 0.902 0.561 CA 1.541 83 residues pruned to eliminate duplicates Z: 69 55.053 2.226 0.876 0.624 0.882 0.588 CB 1.612 69 residues pruned to eliminate duplicates Z: 61 43.685 2.157 0.824 0.471 0.933 0.533 CB 1.582 61 residues pruned to eliminate duplicates Z: 50 49.318 2.235 1.039 0.561 0.898 0.490 CB 1.623 50 residues pruned to eliminate duplicates Z: 23 21.846 2.160 0.756 0.534 0.773 0.455 CA 1.536 23 residues pruned to eliminate duplicates Z: 88 69.468 2.315 0.894 0.596 0.920 0.575 CA 1.685 88 residues pruned to eliminate duplicates Z: 59 46.042 2.206 0.894 0.563 0.862 0.603 CB 1.579 59 residues pruned to eliminate duplicates Z: 23 22.942 2.193 0.712 0.571 0.864 0.500 CB 1.408 23 residues pruned to eliminate duplicates Z: 89 51.633 2.174 0.821 0.520 0.864 0.557 CB 1.577 89 residues pruned to eliminate duplicates Z: 86 66.775 2.285 0.952 0.611 0.906 0.471 CB 1.613 86 residues pruned to eliminate duplicates Z: 124 89.628 2.301 0.992 0.648 0.911 0.602 CA 1.688 124 residues pruned to eliminate duplicates Z: 36 37.023 2.235 1.027 0.548 0.829 0.571 CB 1.590 36 residues pruned to eliminate duplicates Z: 92 65.394 2.243 0.948 0.597 0.890 0.571 CB 1.607 92 residues pruned to eliminate duplicates Z: 130 88.516 2.285 0.907 0.648 0.930 0.566 CB 1.674 130 residues pruned to eliminate duplicates Z: 31 35.523 2.306 0.891 0.516 0.900 0.533 CB 1.627 31 residues pruned to eliminate duplicates Z: 20 21.262 2.213 0.697 0.568 0.842 0.526 CB 1.444 20 residues pruned to eliminate duplicates Z: 129 95.118 2.284 1.006 0.666 0.930 0.586 CB 1.692 129 residues pruned to eliminate duplicates Z: 104 82.982 2.279 0.982 0.635 0.942 0.621 CA 1.693 104 residues pruned to eliminate duplicates Z: 128 88.841 2.230 1.042 0.638 0.945 0.528 CB 1.610 128 residues pruned to eliminate duplicates Z: 41 31.171 2.149 0.895 0.472 0.900 0.450 CB 1.384 41 residues pruned to eliminate duplicates Z: 84 60.277 2.262 0.935 0.584 0.867 0.530 CB 1.608 84 residues pruned to eliminate duplicates Z: 130 95.212 2.292 0.986 0.663 0.930 0.589 CA 1.702 130 residues pruned to eliminate duplicates Z: 130 90.652 2.243 1.056 0.627 0.930 0.543 CB 1.651 130 residues pruned to eliminate duplicates Z: 84 66.908 2.276 0.928 0.624 0.904 0.542 CA 1.648 84 residues pruned to eliminate duplicates Z: 32 35.095 2.258 0.957 0.561 0.903 0.484 CB 1.488 32 residues pruned to eliminate duplicates Z: 76 57.560 2.233 0.920 0.608 0.867 0.547 CA 1.615 76 residues pruned to eliminate duplicates Z: 24 38.199 2.271 0.980 0.587 0.957 0.348 CB 1.704 24 residues pruned to eliminate duplicates Z: 89 54.154 2.208 0.897 0.518 0.886 0.477 CB 1.528 89 residues pruned to eliminate duplicates Z: 53 52.241 2.305 1.030 0.610 0.885 0.654 CB 1.576 53 residues pruned to eliminate duplicates Z: 19 24.819 2.220 0.797 0.440 0.944 0.500 CA 1.652 19 residues pruned to eliminate duplicates Z: 59 41.935 2.130 0.714 0.504 0.931 0.569 CB 1.613 59 residues pruned to eliminate duplicates Z: 9 6.959 1.728 0.910 0.546 0.875 0.625 CB 0.814 9 residues pruned to eliminate duplicates Z: 86 64.451 2.261 0.974 0.608 0.906 0.541 CB 1.560 86 residues pruned to eliminate duplicates Z: 42 34.415 2.190 0.808 0.519 0.854 0.585 CB 1.561 42 residues pruned to eliminate duplicates Z: 83 65.110 2.282 0.963 0.627 0.878 0.622 CA 1.622 83 residues pruned to eliminate duplicates Z: 32 34.578 2.249 0.807 0.549 0.903 0.419 CB 1.612 32 residues pruned to eliminate duplicates Z: 12 8.205 1.935 0.487 0.402 0.727 0.636 CB 1.311 12 residues pruned to eliminate duplicates Z: 31 17.852 1.889 0.598 0.577 0.800 0.600 CB 1.253 31 residues pruned to eliminate duplicates Z: 27 12.683 1.822 0.691 0.379 0.769 0.423 CB 1.195 27 residues pruned to eliminate duplicates Z: 38 15.032 1.786 0.716 0.462 0.784 0.486 CB 1.069 38 residues pruned to eliminate duplicates Z: 46 23.414 1.905 0.518 0.455 0.956 0.489 CB 1.323 46 residues pruned to eliminate duplicates Z: 18 6.667 1.617 0.411 0.244 0.824 0.353 CB 1.156 18 residues pruned to eliminate duplicates Z: 20 16.553 1.827 0.667 0.631 0.842 0.421 CB 1.310 20 residues pruned to eliminate duplicates Z: 31 30.134 2.060 0.811 0.480 0.967 0.633 CA 1.557 Z: 13 24.421 2.088 0.869 0.865 1.000 0.750 CA 1.323 13 residues pruned to eliminate duplicates Z: 39 26.701 2.123 0.766 0.380 0.895 0.421 CA 1.468 28 residues pruned to eliminate duplicates Z: 12 22.419 2.316 0.522 0.917 1.000 1.000 CA 1.353 18 residues pruned to eliminate duplicates Z: 12 30.170 2.302 0.933 0.912 1.000 0.636 CA 1.448 12 residues pruned to eliminate duplicates Z: 36 32.164 2.221 0.824 0.431 0.886 0.543 CB 1.628 36 residues pruned to eliminate duplicates Z: 12 27.336 2.314 0.806 0.889 0.909 0.545 CA 1.562 12 residues pruned to eliminate duplicates Z: 90 51.362 2.234 0.824 0.480 0.910 0.506 CB 1.498 126 residues pruned to eliminate duplicates Z: 63 39.794 2.254 0.680 0.448 0.887 0.435 CB 1.587 Z: 13 26.313 2.188 1.194 0.792 0.917 0.667 CA 1.336 13 residues pruned to eliminate duplicates Z: 79 47.323 2.275 0.723 0.444 0.872 0.564 CB 1.660 142 residues pruned to eliminate duplicates Z: 61 40.402 2.234 0.717 0.444 0.933 0.633 CA 1.543 Z: 6 2.695 1.503 0.559 0.302 0.800 0.200 CA 0.802 6 residues pruned to eliminate duplicates Z: 37 28.026 2.175 0.850 0.388 0.833 0.528 CB 1.568 37 residues pruned to eliminate duplicates Z: 42 27.003 2.083 0.719 0.416 0.854 0.463 CB 1.506 37 residues pruned to eliminate duplicates Z: 6 7.241 1.781 0.471 0.403 1.000 0.800 O 1.368 6 residues pruned to eliminate duplicates Z: 43 24.667 2.002 0.756 0.416 0.833 0.500 CB 1.419 43 residues pruned to eliminate duplicates Z: 13 9.342 1.882 0.798 0.242 0.833 0.667 CB 1.288 13 residues pruned to eliminate duplicates Z: 35 31.583 2.231 0.871 0.393 0.912 0.559 CA 1.594 42 residues pruned to eliminate duplicates Z: 7 7.763 1.658 0.883 0.409 1.000 0.500 CA 1.116 7 residues pruned to eliminate duplicates Z: 40 28.504 2.125 0.817 0.438 0.846 0.538 CB 1.489 35 residues pruned to eliminate duplicates 6 1.530 1.798 0.871 0.334 0.600 0.600 CB 0.406 ? Z: 6 4.373 1.674 0.296 0.374 1.000 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 38 27.060 2.151 0.820 0.428 0.838 0.595 CB 1.462 38 residues pruned to eliminate duplicates Z: 40 30.759 2.112 0.975 0.452 0.846 0.538 CB 1.466 40 residues pruned to eliminate duplicates Z: 9 2.992 1.706 0.115 0.396 0.875 0.500 CB 0.709 9 residues pruned to eliminate duplicates Z: 36 30.912 2.184 0.898 0.445 0.857 0.600 CB 1.556 36 residues pruned to eliminate duplicates Z: 62 39.526 2.231 0.756 0.463 0.852 0.623 CB 1.573 62 residues pruned to eliminate duplicates Z: 57 30.181 2.089 0.828 0.436 0.839 0.571 CB 1.344 121 residues pruned to eliminate duplicates Z: 13 9.021 1.879 0.753 0.376 0.833 0.750 CB 1.082 Z: 6 7.767 1.697 0.818 0.578 1.000 0.600 CB 1.045 6 residues pruned to eliminate duplicates Z: 11 15.485 1.920 0.671 0.732 1.000 0.600 CA 1.239 Z: 9 14.490 2.001 0.666 0.820 1.000 0.750 CA 1.164 9 residues pruned to eliminate duplicates Z: 10 9.567 1.804 0.660 0.560 0.778 0.444 CA 1.291 10 residues pruned to eliminate duplicates Z: 15 16.011 1.972 0.801 0.580 0.857 0.500 CA 1.302 26 residues pruned to eliminate duplicates Z: 25 19.371 1.902 0.974 0.531 0.833 0.583 CA 1.226 25 residues pruned to eliminate duplicates Z: 28 24.479 1.895 0.898 0.572 1.000 0.630 CB 1.222 28 residues pruned to eliminate duplicates Z: 40 19.033 1.863 0.656 0.442 0.897 0.436 CB 1.168 40 residues pruned to eliminate duplicates Z: 9 12.050 1.847 0.592 0.534 1.000 0.500 CA 1.402 8 residues pruned to eliminate duplicates Z: 13 10.130 1.783 0.171 0.900 1.000 0.833 CB 1.000 13 residues pruned to eliminate duplicates Z: 8 5.354 1.847 0.432 0.466 0.857 0.571 CB 0.924 8 residues pruned to eliminate duplicates Z: 8 9.188 1.955 0.248 0.705 0.857 0.429 CB 1.379 8 residues pruned to eliminate duplicates Z: 6 11.830 2.117 0.435 0.798 1.000 0.600 CB 1.341 6 residues pruned to eliminate duplicates Z: 33 23.910 1.925 0.533 0.730 0.906 0.688 CB 1.285 38 residues pruned to eliminate duplicates Z: 6 4.107 1.538 0.587 0.361 0.800 0.400 N 1.092 6 residues pruned to eliminate duplicates Z: 26 14.161 1.904 0.477 0.387 0.840 0.400 CB 1.352 26 residues pruned to eliminate duplicates Z: 26 14.804 1.976 0.442 0.416 0.840 0.600 CB 1.351 26 residues pruned to eliminate duplicates Z: 24 13.230 1.925 0.496 0.372 0.870 0.391 CB 1.263 24 residues pruned to eliminate duplicates Z: 30 14.668 1.904 0.475 0.410 0.862 0.586 CB 1.236 30 residues pruned to eliminate duplicates Z: 22 13.396 1.928 0.532 0.335 0.857 0.619 CB 1.384 22 residues pruned to eliminate duplicates Z: 24 13.138 1.904 0.332 0.453 0.913 0.652 CB 1.241 24 residues pruned to eliminate duplicates Z: 27 14.844 1.867 0.578 0.291 0.885 0.500 CB 1.412 27 residues pruned to eliminate duplicates Z: 6 6.211 2.029 1.108 0.431 0.600 0.400 CB 1.162 6 residues pruned to eliminate duplicates Z: 93 48.541 2.069 0.726 0.605 0.902 0.533 CB 1.421 93 residues pruned to eliminate duplicates Z: 33 21.238 2.089 0.562 0.536 0.875 0.469 CB 1.268 33 residues pruned to eliminate duplicates Z: 35 23.752 2.117 0.656 0.480 0.882 0.500 CB 1.344 35 residues pruned to eliminate duplicates Z: 40 32.341 2.143 0.885 0.540 0.846 0.590 CB 1.457 40 residues pruned to eliminate duplicates Z: 15 15.997 2.045 0.769 0.397 0.857 0.500 CB 1.537 15 residues pruned to eliminate duplicates Z: 24 15.317 1.862 0.909 0.409 0.783 0.391 CB 1.263 24 residues pruned to eliminate duplicates Z: 44 32.540 2.102 0.813 0.535 0.884 0.535 CB 1.424 44 residues pruned to eliminate duplicates Z: 40 27.167 2.058 0.886 0.605 0.846 0.462 CB 1.199 40 residues pruned to eliminate duplicates Z: 53 34.973 2.067 0.735 0.604 0.942 0.635 CB 1.300 53 residues pruned to eliminate duplicates Z: 57 34.608 2.060 0.856 0.554 0.875 0.482 CB 1.311 57 residues pruned to eliminate duplicates Z: 43 26.591 2.060 0.661 0.507 0.857 0.429 CB 1.389 43 residues pruned to eliminate duplicates Z: 40 26.263 2.137 0.682 0.495 0.821 0.513 CB 1.433 40 residues pruned to eliminate duplicates Z: 43 28.509 2.096 0.793 0.601 0.881 0.476 CB 1.207 43 residues pruned to eliminate duplicates Z: 131 65.277 2.161 0.853 0.619 0.869 0.538 CB 1.471 131 residues pruned to eliminate duplicates Z: 28 22.354 2.137 0.751 0.564 0.815 0.370 CB 1.327 28 residues pruned to eliminate duplicates Z: 43 25.219 2.020 0.730 0.455 0.881 0.524 CB 1.325 43 residues pruned to eliminate duplicates Z: 41 23.119 2.040 0.717 0.507 0.775 0.525 CB 1.337 41 residues pruned to eliminate duplicates Z: 56 29.583 2.053 0.773 0.538 0.800 0.455 CB 1.319 56 residues pruned to eliminate duplicates Z: 36 32.483 2.130 0.940 0.510 0.943 0.543 CB 1.394 36 residues pruned to eliminate duplicates Z: 14 19.858 2.316 1.006 0.698 0.846 0.538 CB 1.169 14 residues pruned to eliminate duplicates Z: 38 29.281 2.109 0.819 0.527 0.919 0.514 CB 1.330 38 residues pruned to eliminate duplicates Z: 25 30.401 2.244 0.926 0.562 0.917 0.542 CB 1.474 25 residues pruned to eliminate duplicates Z: 46 36.700 2.090 0.819 0.592 0.933 0.622 CB 1.412 46 residues pruned to eliminate duplicates Z: 51 29.194 2.057 0.838 0.546 0.840 0.480 CB 1.243 51 residues pruned to eliminate duplicates Z: 41 28.016 2.126 0.771 0.513 0.850 0.425 CB 1.366 41 residues pruned to eliminate duplicates Z: 51 25.554 2.026 0.804 0.460 0.800 0.560 CB 1.287 51 residues pruned to eliminate duplicates Z: 10 11.694 1.982 0.728 0.289 1.000 0.667 CB 1.442 10 residues pruned to eliminate duplicates Z: 78 38.772 2.091 0.787 0.547 0.870 0.545 CB 1.298 78 residues pruned to eliminate duplicates Z: 43 27.922 2.079 0.816 0.528 0.905 0.619 CB 1.226 43 residues pruned to eliminate duplicates Z: 28 22.074 2.077 0.833 0.449 0.852 0.630 CB 1.380 28 residues pruned to eliminate duplicates Z: 41 28.276 2.138 0.884 0.463 0.875 0.600 CB 1.318 41 residues pruned to eliminate duplicates Z: 40 29.270 2.117 0.859 0.510 0.872 0.487 CB 1.353 40 residues pruned to eliminate duplicates Z: 41 28.426 2.146 0.835 0.508 0.825 0.500 CB 1.373 41 residues pruned to eliminate duplicates Z: 40 26.674 2.148 0.819 0.459 0.846 0.538 CB 1.346 40 residues pruned to eliminate duplicates Z: 42 25.177 2.061 0.777 0.466 0.829 0.512 CB 1.340 42 residues pruned to eliminate duplicates Z: 15 14.282 2.014 0.890 0.338 0.786 0.429 CB 1.523 15 residues pruned to eliminate duplicates Z: 41 30.058 2.113 0.882 0.532 0.875 0.500 CB 1.324 41 residues pruned to eliminate duplicates Z: 42 29.434 2.097 0.879 0.459 0.927 0.439 CB 1.312 42 residues pruned to eliminate duplicates Z: 23 12.118 1.948 0.515 0.376 0.773 0.273 CB 1.294 23 residues pruned to eliminate duplicates Z: 52 32.506 2.104 0.841 0.594 0.863 0.510 CB 1.244 52 residues pruned to eliminate duplicates Z: 54 28.217 2.016 0.782 0.542 0.830 0.528 CB 1.248 54 residues pruned to eliminate duplicates Z: 19 13.300 1.968 0.553 0.412 0.833 0.389 CB 1.350 19 residues pruned to eliminate duplicates Z: 30 17.304 1.901 0.533 0.409 1.000 0.552 CB 1.213 30 residues pruned to eliminate duplicates Z: 15 12.171 1.759 0.615 0.399 1.000 0.643 CB 1.274 15 residues pruned to eliminate duplicates Z: 8 5.919 1.628 1.140 0.304 0.714 0.571 CA 1.117 8 residues pruned to eliminate duplicates Z: 27 14.437 1.916 0.392 0.435 0.923 0.500 CB 1.231 27 residues pruned to eliminate duplicates Z: 40 19.228 1.897 0.561 0.426 0.846 0.436 CB 1.328 40 residues pruned to eliminate duplicates Z: 16 10.021 1.683 0.433 0.375 1.000 0.400 CB 1.226 16 residues pruned to eliminate duplicates Z: 13 6.270 1.718 0.832 0.291 0.667 0.333 CA 1.090 21 residues pruned to eliminate duplicates Z: 7 4.721 1.723 0.843 0.232 0.667 0.333 CB 1.244 7 residues pruned to eliminate duplicates Z: 7 2.720 1.617 0.321 0.195 0.667 0.167 CA 1.122 7 residues pruned to eliminate duplicates Z: 6 2.183 1.313 1.062 0.372 0.600 0.600 CB 0.689 Z: 7 2.871 1.644 0.951 0.297 0.667 0.500 CB 0.688 7 residues pruned to eliminate duplicates Z: 8 9.160 1.918 0.662 0.537 0.714 0.714 CB 1.466 8 residues pruned to eliminate duplicates Z: 7 9.930 1.950 0.936 0.608 0.667 0.500 CB 1.454 7 residues pruned to eliminate duplicates Z: 36 12.572 1.671 0.290 0.594 0.857 0.486 CB 1.051 38 residues pruned to eliminate duplicates Z: 15 11.314 1.828 -0.003 0.905 0.929 0.929 CB 1.272 15 residues pruned to eliminate duplicates Z: 16 7.939 1.487 0.417 0.488 0.867 0.467 CB 1.135 16 residues pruned to eliminate duplicates Z: 17 9.968 1.626 0.275 0.545 0.938 0.688 CB 1.228 17 residues pruned to eliminate duplicates Z: 29 10.587 1.664 0.144 0.581 0.893 0.536 CB 1.090 29 residues pruned to eliminate duplicates Z: 27 10.576 1.687 0.108 0.617 0.923 0.615 CB 1.076 27 residues pruned to eliminate duplicates Z: 25 15.706 1.724 0.329 0.672 0.958 0.708 CB 1.246 25 residues pruned to eliminate duplicates Z: 44 15.186 1.721 0.441 0.495 0.814 0.512 CB 1.153 34 residues pruned to eliminate duplicates Z: 17 13.776 1.823 0.375 0.824 0.875 0.375 CB 1.186 17 residues pruned to eliminate duplicates Z: 26 18.225 1.766 0.673 0.679 0.920 0.520 CB 1.137 30 residues pruned to eliminate duplicates Z: 16 16.002 1.920 0.616 0.878 0.800 0.600 CB 1.208 16 residues pruned to eliminate duplicates Z: 27 19.117 1.774 0.625 0.644 0.962 0.769 CB 1.182 27 residues pruned to eliminate duplicates Z: 17 19.940 1.853 0.823 0.872 1.000 0.688 CB 1.076 17 residues pruned to eliminate duplicates Z: 31 14.455 1.686 0.566 0.580 0.833 0.467 CB 1.110 31 residues pruned to eliminate duplicates Z: 53 46.444 2.281 0.691 0.527 0.942 0.712 CB 1.726 53 residues pruned to eliminate duplicates Z: 174 99.362 2.274 0.931 0.595 0.919 0.572 CB 1.711 174 residues pruned to eliminate duplicates Z: 65 52.209 2.268 0.754 0.542 0.938 0.656 CB 1.679 66 residues pruned to eliminate duplicates Z: 14 26.442 2.229 0.693 0.802 0.923 0.769 CA 1.618 14 residues pruned to eliminate duplicates Z: 173 101.492 2.293 0.866 0.615 0.936 0.552 CB 1.733 173 residues pruned to eliminate duplicates Z: 77 54.447 2.236 0.737 0.527 0.921 0.566 CA 1.700 77 residues pruned to eliminate duplicates Z: 50 52.464 2.338 0.832 0.548 0.959 0.694 CA 1.741 50 residues pruned to eliminate duplicates Z: 52 45.595 2.270 0.715 0.522 0.941 0.667 CB 1.706 52 residues pruned to eliminate duplicates Z: 54 44.959 2.257 0.746 0.515 0.925 0.660 CA 1.670 54 residues pruned to eliminate duplicates Z: 62 49.658 2.251 0.679 0.570 0.951 0.689 CB 1.654 62 residues pruned to eliminate duplicates Z: 53 46.771 2.256 0.815 0.521 0.942 0.692 CB 1.647 53 residues pruned to eliminate duplicates Z: 50 51.795 2.273 0.875 0.545 0.980 0.592 CB 1.696 50 residues pruned to eliminate duplicates Z: 134 85.369 2.270 0.916 0.585 0.932 0.586 CA 1.683 134 residues pruned to eliminate duplicates Z: 66 51.089 2.249 0.742 0.537 0.923 0.631 CB 1.690 66 residues pruned to eliminate duplicates Z: 50 43.768 2.259 0.685 0.516 0.959 0.633 CA 1.685 50 residues pruned to eliminate duplicates Z: 63 51.082 2.241 0.811 0.537 0.935 0.661 CB 1.647 63 residues pruned to eliminate duplicates Z: 62 52.096 2.236 0.812 0.553 0.934 0.623 CB 1.673 62 residues pruned to eliminate duplicates Z: 103 62.445 2.274 0.784 0.531 0.902 0.667 CA 1.639 103 residues pruned to eliminate duplicates Z: 68 46.945 2.222 0.690 0.520 0.940 0.597 CA 1.592 68 residues pruned to eliminate duplicates Z: 85 53.995 2.238 0.807 0.503 0.881 0.583 CB 1.648 85 residues pruned to eliminate duplicates Z: 40 47.126 2.332 0.789 0.606 0.974 0.769 CA 1.679 40 residues pruned to eliminate duplicates Z: 66 51.199 2.248 0.730 0.528 0.954 0.615 CB 1.664 66 residues pruned to eliminate duplicates Z: 47 46.938 2.310 0.685 0.557 0.978 0.717 CB 1.720 47 residues pruned to eliminate duplicates Z: 66 52.736 2.256 0.775 0.515 0.969 0.615 CA 1.661 66 residues pruned to eliminate duplicates Z: 49 50.232 2.286 0.890 0.537 0.979 0.688 CA 1.653 49 residues pruned to eliminate duplicates Z: 46 53.629 2.323 0.985 0.566 1.000 0.689 CA 1.626 46 residues pruned to eliminate duplicates Z: 70 47.131 2.241 0.747 0.471 0.913 0.594 CA 1.636 70 residues pruned to eliminate duplicates Z: 51 47.023 2.303 0.770 0.514 0.940 0.640 CB 1.711 51 residues pruned to eliminate duplicates Z: 66 47.868 2.232 0.723 0.522 0.923 0.585 CB 1.636 66 residues pruned to eliminate duplicates Z: 66 46.612 2.247 0.636 0.541 0.923 0.738 CA 1.637 66 residues pruned to eliminate duplicates Z: 67 47.623 2.184 0.754 0.537 0.924 0.576 CA 1.597 67 residues pruned to eliminate duplicates Z: 50 45.688 2.292 0.754 0.535 0.959 0.612 CA 1.634 50 residues pruned to eliminate duplicates Z: 66 52.677 2.242 0.720 0.551 0.954 0.662 CB 1.689 66 residues pruned to eliminate duplicates Z: 86 57.591 2.246 0.880 0.492 0.906 0.612 CB 1.645 86 residues pruned to eliminate duplicates Z: 54 48.978 2.221 0.906 0.508 0.981 0.585 CA 1.608 54 residues pruned to eliminate duplicates Z: 47 52.803 2.301 1.042 0.557 0.957 0.717 CA 1.638 47 residues pruned to eliminate duplicates Z: 54 45.024 2.256 0.729 0.507 0.925 0.717 CB 1.701 54 residues pruned to eliminate duplicates Z: 52 35.890 2.214 0.701 0.486 0.824 0.451 CB 1.643 52 residues pruned to eliminate duplicates Z: 52 47.981 2.270 0.907 0.496 0.961 0.706 CA 1.621 52 residues pruned to eliminate duplicates Z: 10 11.473 2.099 0.372 0.233 1.000 0.667 CB 1.812 10 residues pruned to eliminate duplicates Z: 80 55.544 2.229 0.911 0.500 0.873 0.506 CB 1.679 80 residues pruned to eliminate duplicates Z: 54 45.253 2.238 0.940 0.482 0.887 0.509 CB 1.643 54 residues pruned to eliminate duplicates Z: 66 45.364 2.212 0.747 0.523 0.908 0.585 CB 1.568 66 residues pruned to eliminate duplicates Z: 8 6.618 1.832 0.711 0.176 0.857 0.286 CB 1.377 8 residues pruned to eliminate duplicates Z: 50 43.244 2.244 0.831 0.495 0.918 0.633 CA 1.645 50 residues pruned to eliminate duplicates Z: 145 80.034 2.263 0.827 0.566 0.924 0.660 CB 1.638 145 residues pruned to eliminate duplicates Z: 93 57.892 2.224 0.903 0.502 0.859 0.565 CB 1.658 93 residues pruned to eliminate duplicates Z: 117 65.970 2.240 0.823 0.527 0.897 0.595 CA 1.629 117 residues pruned to eliminate duplicates Z: 67 42.533 2.196 0.786 0.496 0.894 0.636 CB 1.499 67 residues pruned to eliminate duplicates Z: 24 19.325 1.991 0.755 0.423 0.913 0.522 CB 1.369 24 residues pruned to eliminate duplicates Z: 67 54.407 2.255 0.853 0.539 0.955 0.591 CB 1.615 66 residues pruned to eliminate duplicates Z: 11 14.780 2.134 0.159 0.703 1.000 0.600 CB 1.571 11 residues pruned to eliminate duplicates Z: 69 49.007 2.195 0.919 0.521 0.912 0.603 CB 1.515 69 residues pruned to eliminate duplicates Z: 67 53.103 2.245 0.956 0.518 0.924 0.621 CB 1.583 67 residues pruned to eliminate duplicates Z: 26 24.044 2.082 0.717 0.461 0.960 0.760 CB 1.459 26 residues pruned to eliminate duplicates Z: 10 15.071 1.963 0.555 0.836 1.000 0.667 CB 1.231 10 residues pruned to eliminate duplicates Z: 77 40.814 2.158 0.693 0.459 0.882 0.566 CB 1.516 77 residues pruned to eliminate duplicates Z: 195 96.471 2.247 0.930 0.594 0.881 0.546 CB 1.656 195 residues pruned to eliminate duplicates Z: 25 17.523 1.847 0.741 0.451 0.917 0.583 CB 1.276 25 residues pruned to eliminate duplicates Z: 87 56.165 2.179 0.886 0.504 0.907 0.581 CB 1.619 87 residues pruned to eliminate duplicates Z: 66 56.125 2.269 0.919 0.525 0.954 0.631 CB 1.635 66 residues pruned to eliminate duplicates Z: 11 18.782 1.955 0.691 0.904 1.000 0.800 CB 1.279 11 residues pruned to eliminate duplicates Z: 15 15.110 1.869 0.611 0.722 0.857 0.714 CB 1.280 15 residues pruned to eliminate duplicates Z: 18 21.171 1.980 0.806 0.740 0.882 0.765 CB 1.312 18 residues pruned to eliminate duplicates Z: 18 17.714 1.944 0.562 0.739 0.941 0.882 CB 1.214 18 residues pruned to eliminate duplicates Z: 23 15.294 1.794 0.757 0.639 0.864 0.591 CB 1.052 17 residues pruned to eliminate duplicates Z: 10 15.547 1.898 0.888 0.862 0.889 0.333 CB 1.194 10 residues pruned to eliminate duplicates Z: 12 10.126 1.791 0.705 0.648 0.909 0.364 CB 0.958 14 residues pruned to eliminate duplicates Z: 10 13.628 1.869 1.007 0.809 0.889 0.556 CB 1.040 12 residues pruned to eliminate duplicates Z: 10 15.583 1.931 1.018 0.806 0.889 0.778 CB 1.147 10 residues pruned to eliminate duplicates Z: 19 16.593 1.936 0.717 0.644 0.833 0.444 CB 1.234 19 residues pruned to eliminate duplicates Z: 18 7.114 1.447 0.464 0.556 0.882 0.588 CB 0.874 16 residues pruned to eliminate duplicates Z: 6 3.908 1.322 0.788 0.408 0.800 0.400 N 1.019 6 residues pruned to eliminate duplicates Z: 18 17.503 1.894 0.853 0.514 0.941 0.471 CB 1.267 18 residues pruned to eliminate duplicates Z: 16 10.078 1.822 0.317 0.612 0.800 0.733 CB 1.219 16 residues pruned to eliminate duplicates Z: 17 9.302 1.790 0.351 0.541 0.812 0.625 CB 1.136 17 residues pruned to eliminate duplicates Z: 52 24.636 1.996 0.687 0.463 0.824 0.490 CB 1.292 64 residues pruned to eliminate duplicates Z: 13 11.314 1.826 0.444 0.664 0.833 0.667 CA 1.277 Z: 10 13.096 1.833 0.587 0.847 0.889 0.778 CB 1.253 13 residues pruned to eliminate duplicates Z: 11 12.629 1.882 0.661 0.858 0.800 0.400 CB 1.176 11 residues pruned to eliminate duplicates Z: 14 11.455 1.808 0.598 0.657 0.846 0.538 CB 1.123 11 residues pruned to eliminate duplicates Z: 10 15.541 1.824 0.615 0.896 1.000 0.889 CB 1.260 10 residues pruned to eliminate duplicates Z: 20 22.942 1.988 0.669 0.717 0.947 0.737 CA 1.376 20 residues pruned to eliminate duplicates Z: 28 20.196 1.836 0.545 0.637 0.926 0.741 CB 1.302 28 residues pruned to eliminate duplicates Z: 31 29.707 1.966 0.720 0.758 0.933 0.633 CB 1.366 31 residues pruned to eliminate duplicates Z: 18 23.054 1.934 0.665 0.792 1.000 0.706 CA 1.344 17 residues pruned to eliminate duplicates Z: 17 22.470 1.889 0.607 0.852 1.000 0.688 CB 1.369 17 residues pruned to eliminate duplicates Z: 29 22.143 1.803 0.679 0.641 0.964 0.464 CB 1.256 22 residues pruned to eliminate duplicates Z: 17 24.480 2.018 0.855 0.859 0.938 0.625 CB 1.283 17 residues pruned to eliminate duplicates Z: 19 22.539 2.026 0.577 0.771 0.944 0.722 CB 1.386 19 residues pruned to eliminate duplicates Z: 37 21.705 1.821 0.549 0.636 0.917 0.472 CB 1.231 37 residues pruned to eliminate duplicates Z: 39 24.853 1.858 0.522 0.707 0.947 0.763 CB 1.247 39 residues pruned to eliminate duplicates Z: 16 23.645 2.019 0.845 0.863 0.933 0.733 CB 1.288 16 residues pruned to eliminate duplicates Z: 30 18.186 1.819 0.616 0.610 0.862 0.483 CB 1.201 30 residues pruned to eliminate duplicates Z: 36 22.836 1.848 0.682 0.653 0.914 0.514 CB 1.177 36 residues pruned to eliminate duplicates Z: 17 23.707 1.929 0.656 0.876 1.000 0.688 CA 1.348 17 residues pruned to eliminate duplicates Z: 19 22.983 2.023 0.745 0.738 0.944 0.667 CA 1.312 19 residues pruned to eliminate duplicates Z: 26 22.589 1.867 0.674 0.703 0.960 0.600 CB 1.252 26 residues pruned to eliminate duplicates Z: 27 22.129 1.858 0.669 0.649 0.923 0.654 CB 1.320 27 residues pruned to eliminate duplicates Z: 59 41.840 2.223 0.703 0.487 0.914 0.534 CB 1.608 13 residues pruned to eliminate duplicates Z: 15 26.602 2.230 0.917 0.831 0.857 0.643 CB 1.458 12 residues pruned to eliminate duplicates Z: 12 33.839 2.560 0.928 0.822 0.909 0.455 CA 1.720 12 residues pruned to eliminate duplicates Z: 27 31.635 2.372 0.671 0.575 0.846 0.538 CA 1.722 24 residues pruned to eliminate duplicates Z: 11 38.164 2.606 1.235 0.859 0.900 0.600 CA 1.694 11 residues pruned to eliminate duplicates Z: 23 29.771 2.358 0.666 0.566 0.955 0.591 CB 1.588 23 residues pruned to eliminate duplicates Z: 29 26.199 2.297 0.539 0.483 0.857 0.643 CB 1.662 29 residues pruned to eliminate duplicates Z: 45 35.954 2.269 0.618 0.556 0.955 0.727 CA 1.465 45 residues pruned to eliminate duplicates Z: 56 39.215 2.244 0.680 0.475 0.945 0.655 CA 1.521 56 residues pruned to eliminate duplicates Z: 59 41.975 2.277 0.620 0.496 0.931 0.724 CA 1.612 59 residues pruned to eliminate duplicates Z: 21 24.986 2.423 0.613 0.532 0.900 0.800 CA 1.539 21 residues pruned to eliminate duplicates Z: 15 16.239 2.234 0.668 0.390 0.786 0.500 CB 1.665 15 residues pruned to eliminate duplicates Z: 22 27.668 2.475 0.589 0.515 0.905 0.667 CB 1.672 22 residues pruned to eliminate duplicates Z: 60 39.471 2.270 0.671 0.426 0.915 0.593 CA 1.598 60 residues pruned to eliminate duplicates Z: 57 26.894 2.178 0.666 0.383 0.768 0.518 CB 1.461 122 residues pruned to eliminate duplicates Z: 23 24.984 2.413 0.576 0.494 0.864 0.773 CB 1.632 Z: 7 8.067 1.983 0.897 0.398 0.833 0.167 CA 1.170 7 residues pruned to eliminate duplicates Z: 143 73.436 2.260 0.828 0.548 0.880 0.535 CB 1.617 166 residues pruned to eliminate duplicates Z: 41 30.930 2.352 0.707 0.458 0.800 0.550 CB 1.589 41 residues pruned to eliminate duplicates Z: 10 13.895 2.162 0.528 0.409 0.889 0.556 CA 1.735 Z: 7 6.828 1.613 0.647 0.660 1.000 0.833 CA 0.905 Z: 6 5.653 1.561 0.725 0.729 1.000 0.600 CB 0.764 5 residues pruned to eliminate duplicates 6 1.690 1.478 0.816 0.228 0.600 0.400 CA 0.644 ? Z: 9 7.409 1.592 0.930 0.496 1.000 0.500 CA 0.856 8 residues pruned to eliminate duplicates Z: 15 22.911 2.323 0.550 0.652 0.929 0.714 CB 1.589 15 residues pruned to eliminate duplicates Z: 57 32.354 2.080 0.571 0.468 0.964 0.607 CB 1.417 57 residues pruned to eliminate duplicates Z: 57 30.162 2.087 0.516 0.471 0.946 0.643 CB 1.386 57 residues pruned to eliminate duplicates Z: 48 31.495 2.117 0.570 0.526 0.915 0.574 CB 1.474 48 residues pruned to eliminate duplicates Z: 45 32.013 2.138 0.543 0.540 0.932 0.659 CB 1.509 45 residues pruned to eliminate duplicates Z: 26 23.116 2.234 0.790 0.517 0.760 0.640 CB 1.496 26 residues pruned to eliminate duplicates Z: 23 37.547 2.319 0.889 0.568 0.955 0.636 CA 1.793 23 residues pruned to eliminate duplicates Z: 55 27.554 2.063 0.532 0.444 0.907 0.648 CB 1.385 55 residues pruned to eliminate duplicates Z: 22 29.057 2.341 0.584 0.572 0.905 0.619 CA 1.763 22 residues pruned to eliminate duplicates Z: 57 31.047 2.074 0.542 0.456 0.964 0.607 CB 1.408 62 residues pruned to eliminate duplicates Z: 13 27.655 2.354 0.669 0.770 1.000 0.667 CA 1.599 13 residues pruned to eliminate duplicates Z: 49 29.430 2.083 0.459 0.506 0.958 0.521 CB 1.451 49 residues pruned to eliminate duplicates Z: 55 31.807 2.095 0.563 0.470 0.963 0.667 CB 1.414 55 residues pruned to eliminate duplicates Z: 27 28.127 2.213 0.664 0.496 0.885 0.731 CB 1.700 27 residues pruned to eliminate duplicates Z: 43 32.019 2.071 0.697 0.468 0.905 0.714 CA 1.604 43 residues pruned to eliminate duplicates Z: 61 31.308 2.071 0.521 0.500 0.883 0.750 CB 1.453 61 residues pruned to eliminate duplicates Z: 25 27.539 2.256 0.589 0.569 0.917 0.583 CB 1.599 25 residues pruned to eliminate duplicates Z: 26 29.211 2.198 0.781 0.558 0.920 0.720 CA 1.532 26 residues pruned to eliminate duplicates Z: 30 27.540 2.154 0.897 0.472 0.828 0.655 CA 1.556 30 residues pruned to eliminate duplicates Z: 22 49.027 2.388 1.257 0.626 1.000 0.667 CB 1.763 22 residues pruned to eliminate duplicates Z: 56 32.592 2.080 0.518 0.514 0.982 0.636 CB 1.398 56 residues pruned to eliminate duplicates Z: 25 25.603 2.257 0.801 0.515 0.792 0.708 CB 1.600 25 residues pruned to eliminate duplicates Z: 57 31.290 2.073 0.625 0.457 0.893 0.625 CB 1.453 57 residues pruned to eliminate duplicates Z: 55 33.601 2.103 0.680 0.489 0.926 0.667 CB 1.413 55 residues pruned to eliminate duplicates Z: 58 27.214 2.043 0.555 0.418 0.877 0.579 CB 1.409 58 residues pruned to eliminate duplicates Z: 42 30.554 2.175 0.549 0.536 0.902 0.659 CB 1.514 42 residues pruned to eliminate duplicates Z: 40 17.415 1.890 0.371 0.449 0.949 0.641 CB 1.195 33 residues pruned to eliminate duplicates Z: 12 16.499 2.032 0.223 0.900 1.000 0.636 CA 1.430 12 residues pruned to eliminate duplicates Z: 59 30.680 2.078 0.615 0.480 0.914 0.483 CB 1.340 59 residues pruned to eliminate duplicates Z: 43 33.532 2.190 0.553 0.615 0.929 0.786 CB 1.470 43 residues pruned to eliminate duplicates Z: 18 16.626 2.055 0.419 0.622 0.941 0.588 CB 1.310 18 residues pruned to eliminate duplicates Z: 55 33.500 2.104 0.655 0.496 0.907 0.574 CB 1.449 55 residues pruned to eliminate duplicates Z: 44 28.751 2.147 0.534 0.550 0.907 0.581 CB 1.398 44 residues pruned to eliminate duplicates Z: 38 15.827 1.890 0.504 0.439 0.838 0.486 CB 1.164 38 residues pruned to eliminate duplicates Z: 49 35.833 2.104 0.700 0.564 0.979 0.646 CB 1.387 49 residues pruned to eliminate duplicates Z: 55 30.031 2.109 0.549 0.495 0.889 0.630 CB 1.414 55 residues pruned to eliminate duplicates Z: 33 16.561 1.914 0.463 0.417 0.938 0.562 CB 1.216 33 residues pruned to eliminate duplicates Z: 58 23.118 2.011 0.436 0.411 0.877 0.544 CB 1.327 58 residues pruned to eliminate duplicates Z: 59 32.228 2.081 0.723 0.461 0.914 0.672 CB 1.344 59 residues pruned to eliminate duplicates Z: 49 39.722 2.162 0.790 0.536 0.958 0.667 CB 1.493 49 residues pruned to eliminate duplicates Z: 63 26.107 1.992 0.497 0.467 0.903 0.435 CB 1.273 63 residues pruned to eliminate duplicates Z: 36 15.959 1.913 0.401 0.452 0.943 0.429 CB 1.121 36 residues pruned to eliminate duplicates Z: 55 30.662 2.094 0.581 0.494 0.907 0.667 CB 1.398 55 residues pruned to eliminate duplicates Z: 17 6.413 1.768 0.217 0.300 0.812 0.375 CB 1.146 17 residues pruned to eliminate duplicates Z: 66 28.735 2.001 0.601 0.460 0.923 0.585 CB 1.255 66 residues pruned to eliminate duplicates Z: 18 6.585 1.784 0.285 0.265 0.824 0.588 CB 1.106 18 residues pruned to eliminate duplicates Z: 16 7.452 1.797 0.400 0.216 1.000 0.467 CB 1.068 16 residues pruned to eliminate duplicates Z: 15 7.468 1.802 0.497 0.250 0.929 0.500 CB 1.062 15 residues pruned to eliminate duplicates Z: 37 17.104 1.870 0.519 0.423 0.917 0.528 CB 1.187 37 residues pruned to eliminate duplicates Z: 22 7.714 1.695 0.319 0.343 0.905 0.619 CB 0.987 22 residues pruned to eliminate duplicates Z: 17 5.945 1.676 0.362 0.270 0.812 0.375 CB 1.041 17 residues pruned to eliminate duplicates Z: 18 9.684 1.738 0.533 0.341 0.824 0.588 CB 1.273 18 residues pruned to eliminate duplicates Z: 58 36.279 2.061 0.785 0.489 0.930 0.596 CB 1.420 65 residues pruned to eliminate duplicates Z: 6 3.166 1.601 0.104 0.682 1.000 0.400 CB 0.677 Z: 8 3.668 1.605 0.187 0.763 0.857 0.714 CB 0.672 6 residues pruned to eliminate duplicates Z: 8 5.156 1.718 0.310 0.762 1.000 0.857 CB 0.686 7 residues pruned to eliminate duplicates Z: 18 22.403 2.080 0.801 0.863 0.941 0.765 CA 1.131 18 residues pruned to eliminate duplicates Z: 57 40.857 2.060 0.687 0.673 0.929 0.625 CB 1.442 57 residues pruned to eliminate duplicates Z: 84 49.719 2.158 0.688 0.597 0.892 0.651 CB 1.531 84 residues pruned to eliminate duplicates Z: 54 45.827 2.162 0.677 0.717 0.962 0.679 CA 1.483 54 residues pruned to eliminate duplicates Z: 76 56.272 2.215 0.942 0.635 0.893 0.493 CB 1.490 76 residues pruned to eliminate duplicates Z: 93 56.766 2.167 0.765 0.637 0.924 0.565 CB 1.473 93 residues pruned to eliminate duplicates Z: 77 48.775 2.141 0.725 0.660 0.934 0.526 CB 1.398 77 residues pruned to eliminate duplicates Z: 51 39.860 2.115 0.765 0.646 0.920 0.500 CB 1.432 51 residues pruned to eliminate duplicates Z: 63 48.967 2.159 0.799 0.694 0.887 0.565 CB 1.512 63 residues pruned to eliminate duplicates Z: 98 63.357 2.175 0.855 0.672 0.918 0.495 CB 1.483 98 residues pruned to eliminate duplicates Z: 81 64.591 2.208 0.981 0.684 0.900 0.538 CA 1.550 81 residues pruned to eliminate duplicates Z: 47 47.743 2.242 0.881 0.681 0.913 0.652 CA 1.547 47 residues pruned to eliminate duplicates Z: 87 58.981 2.158 0.901 0.660 0.930 0.581 CB 1.437 87 residues pruned to eliminate duplicates Z: 39 46.056 2.150 0.829 0.745 1.000 0.605 CB 1.526 39 residues pruned to eliminate duplicates Z: 133 73.991 2.182 0.927 0.643 0.924 0.530 CB 1.450 133 residues pruned to eliminate duplicates Z: 126 61.411 2.149 0.889 0.612 0.872 0.520 CB 1.396 126 residues pruned to eliminate duplicates Z: 89 56.280 2.173 0.702 0.629 0.932 0.580 CB 1.541 89 residues pruned to eliminate duplicates Z: 129 67.835 2.178 0.919 0.622 0.875 0.578 CB 1.460 129 residues pruned to eliminate duplicates Z: 73 68.912 2.244 0.988 0.691 0.958 0.667 CB 1.595 73 residues pruned to eliminate duplicates Z: 42 28.170 2.111 0.760 0.350 0.878 0.512 CB 1.586 7 residues pruned to eliminate duplicates Z: 8 6.039 1.670 0.352 0.739 0.857 0.429 CB 0.952 8 residues pruned to eliminate duplicates Z: 34 30.111 2.057 0.869 0.567 0.879 0.636 CB 1.454 34 residues pruned to eliminate duplicates Z: 48 36.423 1.997 0.897 0.581 0.894 0.532 CB 1.451 48 residues pruned to eliminate duplicates Z: 132 73.336 2.239 0.758 0.633 0.901 0.634 CB 1.595 132 residues pruned to eliminate duplicates Z: 133 77.616 2.219 0.944 0.631 0.871 0.652 CB 1.589 133 residues pruned to eliminate duplicates Z: 36 38.782 2.153 0.833 0.704 0.914 0.743 CA 1.508 36 residues pruned to eliminate duplicates Z: 44 30.331 2.021 0.742 0.572 0.860 0.605 CB 1.424 44 residues pruned to eliminate duplicates Z: 131 80.752 2.228 0.923 0.653 0.892 0.662 CA 1.606 131 residues pruned to eliminate duplicates Z: 122 78.396 2.205 0.929 0.667 0.926 0.653 CB 1.551 122 residues pruned to eliminate duplicates Z: 35 42.511 2.174 0.847 0.746 0.941 0.706 CB 1.548 35 residues pruned to eliminate duplicates Z: 60 48.422 2.110 0.958 0.649 0.864 0.610 CB 1.537 60 residues pruned to eliminate duplicates Z: 30 30.127 2.043 1.102 0.570 0.828 0.552 CA 1.471 30 residues pruned to eliminate duplicates Z: 133 81.796 2.217 0.917 0.644 0.894 0.644 CA 1.638 133 residues pruned to eliminate duplicates Z: 129 83.483 2.243 0.921 0.656 0.914 0.664 CB 1.621 127 residues pruned to eliminate duplicates Z: 19 34.039 2.123 0.825 0.878 1.000 0.556 CA 1.504 19 residues pruned to eliminate duplicates Z: 74 63.164 2.229 0.864 0.730 0.959 0.685 CA 1.508 74 residues pruned to eliminate duplicates Z: 114 76.181 2.218 0.853 0.675 0.938 0.637 CB 1.582 114 residues pruned to eliminate duplicates Z: 48 43.831 2.159 0.803 0.718 0.894 0.596 CA 1.509 48 residues pruned to eliminate duplicates Z: 115 73.098 2.226 0.852 0.679 0.895 0.693 CB 1.574 115 residues pruned to eliminate duplicates Z: 116 68.419 2.182 0.926 0.640 0.896 0.643 CB 1.487 116 residues pruned to eliminate duplicates Z: 63 49.040 2.202 0.822 0.647 0.887 0.694 CB 1.526 63 residues pruned to eliminate duplicates Z: 33 31.703 2.121 0.775 0.576 0.906 0.594 CA 1.526 33 residues pruned to eliminate duplicates Z: 99 78.963 2.227 0.957 0.700 0.929 0.622 CA 1.643 99 residues pruned to eliminate duplicates Z: 15 19.389 1.876 0.867 0.735 0.929 0.643 CA 1.290 15 residues pruned to eliminate duplicates Z: 67 51.764 2.167 0.848 0.643 0.894 0.561 CA 1.558 67 residues pruned to eliminate duplicates Z: 106 58.916 2.139 0.866 0.616 0.848 0.571 CA 1.524 143 residues pruned to eliminate duplicates Z: 12 18.097 1.941 1.150 0.887 0.818 0.364 CB 1.152 12 residues pruned to eliminate duplicates Z: 61 55.378 2.159 0.916 0.711 0.933 0.583 CA 1.528 61 residues pruned to eliminate duplicates Z: 125 68.345 2.189 0.879 0.619 0.863 0.621 CB 1.546 125 residues pruned to eliminate duplicates Z: 51 54.151 2.186 1.023 0.704 0.900 0.520 CA 1.598 51 residues pruned to eliminate duplicates Z: 168 77.218 2.187 0.818 0.588 0.892 0.605 CB 1.549 168 residues pruned to eliminate duplicates Z: 75 59.808 2.204 0.909 0.713 0.919 0.784 CA 1.483 75 residues pruned to eliminate duplicates Z: 114 77.512 2.219 0.955 0.676 0.929 0.699 CB 1.538 114 residues pruned to eliminate duplicates Z: 66 52.620 2.195 0.714 0.749 0.954 0.800 CA 1.455 66 residues pruned to eliminate duplicates Z: 133 71.603 2.219 0.902 0.618 0.864 0.561 CB 1.530 133 residues pruned to eliminate duplicates Z: 71 63.493 2.226 0.862 0.720 0.929 0.671 CA 1.617 71 residues pruned to eliminate duplicates Z: 79 57.729 2.133 0.939 0.655 0.936 0.679 CB 1.462 79 residues pruned to eliminate duplicates Z: 58 49.451 2.128 0.933 0.645 0.912 0.544 CB 1.524 58 residues pruned to eliminate duplicates Z: 131 79.728 2.207 0.946 0.642 0.908 0.592 CB 1.570 131 residues pruned to eliminate duplicates Z: 94 72.968 2.197 0.926 0.677 0.946 0.710 CA 1.606 94 residues pruned to eliminate duplicates Z: 120 70.873 2.223 0.841 0.621 0.916 0.672 CA 1.546 109 residues pruned to eliminate duplicates Z: 16 29.655 1.991 1.047 0.791 1.000 0.667 CB 1.455 16 residues pruned to eliminate duplicates Z: 103 74.562 2.270 0.883 0.652 0.922 0.637 CB 1.627 103 residues pruned to eliminate duplicates Z: 134 78.113 2.229 0.869 0.621 0.910 0.609 CB 1.594 134 residues pruned to eliminate duplicates Z: 122 78.406 2.230 0.920 0.645 0.909 0.595 CB 1.600 122 residues pruned to eliminate duplicates Z: 48 48.923 2.187 0.922 0.719 0.915 0.681 CA 1.522 48 residues pruned to eliminate duplicates Z: 130 80.867 2.214 0.949 0.640 0.899 0.651 CB 1.610 130 residues pruned to eliminate duplicates Z: 110 66.082 2.215 0.821 0.607 0.890 0.569 CB 1.592 110 residues pruned to eliminate duplicates Z: 105 71.597 2.257 0.844 0.640 0.904 0.654 CB 1.638 105 residues pruned to eliminate duplicates Z: 134 76.766 2.221 0.854 0.619 0.925 0.624 CA 1.562 134 residues pruned to eliminate duplicates Z: 78 59.006 2.248 0.835 0.682 0.883 0.623 CB 1.562 78 residues pruned to eliminate duplicates Z: 127 82.791 2.253 0.973 0.642 0.905 0.603 CB 1.606 127 residues pruned to eliminate duplicates Z: 130 86.462 2.242 1.031 0.639 0.907 0.643 CB 1.618 130 residues pruned to eliminate duplicates Z: 75 67.405 2.228 0.887 0.694 0.946 0.676 CB 1.651 75 residues pruned to eliminate duplicates Z: 126 80.960 2.251 0.838 0.656 0.952 0.656 CB 1.590 126 residues pruned to eliminate duplicates Z: 74 67.580 2.277 0.954 0.705 0.918 0.644 CA 1.607 74 residues pruned to eliminate duplicates Z: 94 76.673 2.229 0.890 0.715 0.968 0.720 CA 1.604 94 residues pruned to eliminate duplicates Z: 128 79.437 2.244 0.877 0.641 0.906 0.638 CB 1.620 128 residues pruned to eliminate duplicates Z: 128 86.638 2.248 0.954 0.657 0.937 0.638 CB 1.615 128 residues pruned to eliminate duplicates Z: 92 74.159 2.195 1.058 0.693 0.912 0.670 CB 1.581 92 residues pruned to eliminate duplicates Z: 136 81.578 2.222 0.996 0.628 0.911 0.630 CB 1.540 136 residues pruned to eliminate duplicates Z: 135 85.149 2.238 0.932 0.651 0.918 0.627 CB 1.609 135 residues pruned to eliminate duplicates Z: 135 78.465 2.201 0.955 0.636 0.881 0.575 CB 1.575 135 residues pruned to eliminate duplicates Z: 86 74.944 2.224 1.012 0.731 0.941 0.553 CB 1.568 86 residues pruned to eliminate duplicates Z: 131 86.649 2.247 1.071 0.650 0.915 0.608 CB 1.552 131 residues pruned to eliminate duplicates Z: 144 81.897 2.232 0.926 0.638 0.895 0.559 CB 1.565 144 residues pruned to eliminate duplicates Z: 103 75.298 2.257 0.911 0.663 0.941 0.667 CB 1.579 103 residues pruned to eliminate duplicates Z: 119 78.715 2.225 0.959 0.669 0.915 0.619 CB 1.554 119 residues pruned to eliminate duplicates Z: 143 82.389 2.215 0.926 0.623 0.915 0.592 CB 1.576 143 residues pruned to eliminate duplicates Z: 78 62.586 2.170 0.901 0.691 0.948 0.597 CA 1.531 78 residues pruned to eliminate duplicates Z: 125 78.553 2.220 0.972 0.652 0.871 0.621 CB 1.606 125 residues pruned to eliminate duplicates Z: 133 84.213 2.246 0.954 0.633 0.917 0.598 CB 1.607 133 residues pruned to eliminate duplicates Z: 129 84.967 2.243 0.951 0.647 0.922 0.570 CB 1.623 129 residues pruned to eliminate duplicates Z: 94 67.934 2.261 0.952 0.619 0.903 0.613 CB 1.579 94 residues pruned to eliminate duplicates Z: 64 64.721 2.235 0.976 0.755 0.968 0.730 CA 1.520 64 residues pruned to eliminate duplicates Z: 93 68.159 2.216 0.905 0.671 0.935 0.685 CA 1.538 93 residues pruned to eliminate duplicates Z: 107 65.547 2.144 0.919 0.628 0.887 0.547 CB 1.546 107 residues pruned to eliminate duplicates Z: 74 61.903 2.220 0.850 0.695 0.918 0.658 CA 1.609 74 residues pruned to eliminate duplicates Z: 167 82.559 2.201 0.900 0.591 0.892 0.602 CA 1.576 167 residues pruned to eliminate duplicates Z: 92 70.406 2.189 0.948 0.702 0.912 0.593 CA 1.578 92 residues pruned to eliminate duplicates Z: 22 28.000 2.188 0.807 0.695 0.905 0.714 CA 1.429 22 residues pruned to eliminate duplicates Z: 127 81.822 2.246 0.947 0.650 0.897 0.659 CB 1.617 127 residues pruned to eliminate duplicates Z: 105 74.952 2.268 0.890 0.659 0.904 0.692 CB 1.636 105 residues pruned to eliminate duplicates Z: 132 80.572 2.217 0.948 0.637 0.908 0.641 CB 1.578 132 residues pruned to eliminate duplicates Z: 133 77.527 2.218 0.961 0.619 0.871 0.576 CA 1.592 133 residues pruned to eliminate duplicates Z: 55 36.610 2.208 0.807 0.516 0.833 0.519 CB 1.475 55 residues pruned to eliminate duplicates 696 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 168 D: 32 E: 11 F: 9 G: 109 H: 7 I: 305 J: 42 CC for partial structure against native data = 35.85 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.571, Connect. = 0.718 for dens.mod. cycle 1 = 0.300, Contrast = 0.655, Connect. = 0.747 for dens.mod. cycle 2 = 0.300, Contrast = 0.785, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.803, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.819, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.825, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.830, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.831, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.832, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.831, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4208 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 956 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 32.038 2.340 0.582 0.810 0.941 0.882 CB 1.703 B: 15 31.315 2.200 0.948 0.846 1.000 0.786 CB 1.451 C: 13 29.984 2.362 0.652 0.901 1.000 0.833 CA 1.584 D: 17 39.197 2.366 0.748 0.903 1.000 0.875 CB 1.689 18 residues pruned to eliminate duplicates E: 21 29.975 2.200 0.764 0.796 0.850 0.450 CA 1.569 F: 12 34.957 2.598 0.624 0.824 1.000 0.818 CB 1.888 G: 14 38.251 2.309 0.925 0.915 1.000 0.615 CA 1.688 13 residues pruned to eliminate duplicates H: 13 28.084 2.426 0.707 0.814 0.917 0.833 CB 1.625 13 residues pruned to eliminate duplicates I: 14 27.093 2.297 0.430 0.919 1.000 0.923 CA 1.612 15 residues pruned to eliminate duplicates J: 96 58.823 2.244 0.735 0.531 0.947 0.632 CA 1.587 K: 13 33.242 2.395 0.917 0.807 1.000 0.917 CB 1.600 L: 20 33.608 2.249 0.702 0.893 0.947 0.737 CA 1.526 20 residues pruned to eliminate duplicates M: 17 48.152 2.503 1.052 0.864 1.000 0.812 CB 1.717 17 residues pruned to eliminate duplicates N: 13 32.432 2.413 0.709 0.921 1.000 1.000 CA 1.598 13 residues pruned to eliminate duplicates O: 14 32.036 2.248 0.969 0.912 0.923 0.692 CB 1.540 14 residues pruned to eliminate duplicates P: 12 41.702 2.442 1.132 0.874 1.000 0.818 CA 1.758 Q: 11 27.538 2.357 0.774 0.906 1.000 0.900 CB 1.482 R: 14 23.885 2.209 0.713 0.893 0.923 0.923 CA 1.362 13 residues pruned to eliminate duplicates S: 14 31.736 2.290 0.833 0.891 1.000 0.846 CA 1.507 14 residues pruned to eliminate duplicates T: 14 26.899 2.320 0.853 0.786 0.846 0.615 CA 1.595 14 residues pruned to eliminate duplicates U: 11 38.116 2.629 0.995 0.843 0.900 0.600 CA 1.902 12 residues pruned to eliminate duplicates V: 12 35.966 2.388 1.184 0.855 0.909 0.636 CA 1.687 12 residues pruned to eliminate duplicates W: 13 32.598 2.376 0.804 0.840 0.917 0.917 CB 1.788 13 residues pruned to eliminate duplicates X: 13 25.873 2.489 0.510 0.830 0.917 0.750 CB 1.630 13 residues pruned to eliminate duplicates Y: 14 34.010 2.243 1.144 0.848 0.923 0.692 CB 1.576 14 residues pruned to eliminate duplicates Z: 12 27.529 2.406 0.712 0.841 1.000 0.636 CA 1.502 12 residues pruned to eliminate duplicates Z: 17 48.407 2.482 1.131 0.896 1.000 0.750 CB 1.639 17 residues pruned to eliminate duplicates Z: 13 23.688 2.498 0.250 0.832 1.000 0.750 CA 1.644 13 residues pruned to eliminate duplicates Z: 13 31.196 2.322 0.791 0.894 1.000 0.917 CA 1.553 Z: 16 32.898 2.227 0.994 0.913 0.933 0.533 CA 1.451 16 residues pruned to eliminate duplicates Z: 14 31.273 2.207 0.949 0.869 0.923 0.769 CB 1.596 15 residues pruned to eliminate duplicates Z: 12 18.510 2.396 0.203 0.864 0.909 0.727 CA 1.562 12 residues pruned to eliminate duplicates Z: 18 14.014 2.022 0.776 0.451 0.824 0.471 CA 1.208 18 residues pruned to eliminate duplicates Z: 12 35.050 2.512 0.906 0.817 0.909 0.636 CB 1.843 12 residues pruned to eliminate duplicates Z: 13 26.029 2.086 0.504 0.913 1.000 0.917 CB 1.695 Z: 69 48.640 2.304 0.651 0.501 0.926 0.574 CB 1.672 69 residues pruned to eliminate duplicates Z: 15 29.411 2.156 0.904 0.896 1.000 0.714 CB 1.371 14 residues pruned to eliminate duplicates Z: 16 48.765 2.460 1.205 0.917 0.933 0.667 CB 1.756 16 residues pruned to eliminate duplicates Z: 18 37.399 2.391 0.767 0.835 1.000 0.824 CA 1.609 18 residues pruned to eliminate duplicates Z: 14 26.202 2.320 0.646 0.800 1.000 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 22 35.719 2.234 0.679 0.823 0.952 0.762 CA 1.649 Z: 14 22.895 2.380 0.422 0.858 0.923 0.769 CA 1.497 14 residues pruned to eliminate duplicates Z: 21 30.644 2.211 0.528 0.903 0.900 0.750 CA 1.606 21 residues pruned to eliminate duplicates Z: 14 36.403 2.252 0.931 0.877 1.000 0.769 CA 1.685 12 residues pruned to eliminate duplicates Z: 22 29.391 2.179 0.532 0.818 0.952 0.714 CA 1.530 21 residues pruned to eliminate duplicates Z: 25 30.408 2.252 0.974 0.526 0.833 0.625 CB 1.633 14 residues pruned to eliminate duplicates Z: 7 5.325 1.588 0.118 0.699 0.833 0.833 CB 1.226 Z: 15 29.365 2.225 0.791 0.831 0.929 0.714 CA 1.594 15 residues pruned to eliminate duplicates Z: 15 29.944 2.250 0.930 0.804 0.929 0.714 CB 1.522 15 residues pruned to eliminate duplicates Z: 23 31.930 2.083 0.862 0.864 0.864 0.545 CA 1.490 24 residues pruned to eliminate duplicates Z: 12 19.330 2.025 0.343 0.922 1.000 0.909 CB 1.506 Z: 12 22.477 2.220 0.600 0.888 0.909 0.818 CB 1.512 Z: 8 10.667 1.767 0.484 0.693 1.000 0.714 CA 1.289 Z: 14 32.453 2.221 1.216 0.875 1.000 0.769 CB 1.330 12 residues pruned to eliminate duplicates Z: 13 26.401 2.123 0.572 0.887 1.000 0.833 CA 1.646 13 residues pruned to eliminate duplicates Z: 23 32.982 2.101 0.782 0.829 0.909 0.682 CA 1.554 22 residues pruned to eliminate duplicates Z: 11 24.199 2.420 0.436 0.890 0.900 0.800 CA 1.761 11 residues pruned to eliminate duplicates Z: 22 41.352 2.226 1.025 0.830 0.952 0.571 CA 1.581 21 residues pruned to eliminate duplicates Z: 178 90.684 2.258 0.836 0.612 0.898 0.638 CA 1.646 138 residues pruned to eliminate duplicates Z: 12 35.673 2.407 0.742 0.915 1.000 0.727 CA 1.812 12 residues pruned to eliminate duplicates Z: 18 23.585 2.128 0.488 0.883 0.941 0.824 CA 1.387 18 residues pruned to eliminate duplicates Z: 13 29.942 2.237 0.787 0.817 1.000 0.583 CA 1.642 13 residues pruned to eliminate duplicates Z: 8 12.952 1.904 0.360 0.838 1.000 0.714 CA 1.413 Z: 13 20.171 2.037 0.442 0.885 1.000 0.667 CB 1.431 13 residues pruned to eliminate duplicates Z: 20 21.554 2.108 0.346 0.839 0.895 0.789 CA 1.456 Z: 22 37.694 2.132 1.034 0.863 1.000 0.476 CA 1.393 21 residues pruned to eliminate duplicates Z: 12 21.148 2.083 0.495 0.892 1.000 1.000 CA 1.471 12 residues pruned to eliminate duplicates Z: 20 35.862 2.218 1.098 0.814 0.895 0.368 CB 1.503 20 residues pruned to eliminate duplicates Z: 13 40.522 2.306 1.453 0.905 1.000 0.833 CB 1.471 13 residues pruned to eliminate duplicates Z: 13 25.809 2.047 0.687 0.892 1.000 0.833 CA 1.550 13 residues pruned to eliminate duplicates Z: 20 22.385 2.256 0.299 0.864 0.842 0.737 CA 1.527 20 residues pruned to eliminate duplicates Z: 12 21.293 2.191 0.741 0.834 0.818 0.727 CB 1.542 12 residues pruned to eliminate duplicates Z: 12 31.734 2.310 1.027 0.851 1.000 0.818 CA 1.512 12 residues pruned to eliminate duplicates Z: 21 36.741 2.249 0.818 0.843 0.900 0.500 CA 1.662 21 residues pruned to eliminate duplicates Z: 13 26.308 2.141 0.886 0.833 1.000 0.750 CA 1.411 Z: 22 19.606 2.053 0.238 0.879 0.952 0.810 CA 1.282 22 residues pruned to eliminate duplicates Z: 12 16.068 1.953 0.344 0.883 1.000 0.636 CB 1.335 12 residues pruned to eliminate duplicates Z: 12 24.092 2.337 0.632 0.865 0.909 0.818 CA 1.535 12 residues pruned to eliminate duplicates Z: 14 22.833 2.147 0.990 0.805 0.923 0.692 CA 1.231 14 residues pruned to eliminate duplicates Z: 14 24.800 2.114 0.763 0.832 0.923 0.462 CA 1.501 14 residues pruned to eliminate duplicates Z: 14 25.550 2.147 0.794 0.852 1.000 0.846 CA 1.360 14 residues pruned to eliminate duplicates Z: 13 35.283 2.332 0.999 0.826 1.000 1.000 CB 1.647 13 residues pruned to eliminate duplicates Z: 14 29.726 2.233 0.856 0.818 1.000 0.692 CB 1.509 13 residues pruned to eliminate duplicates Z: 20 42.338 2.236 1.180 0.806 1.000 0.579 CB 1.526 18 residues pruned to eliminate duplicates Z: 14 20.716 2.162 0.758 0.763 0.846 0.692 CB 1.415 14 residues pruned to eliminate duplicates Z: 13 35.117 2.312 0.922 0.881 1.000 1.000 CA 1.652 13 residues pruned to eliminate duplicates Z: 12 25.157 2.220 0.796 0.871 0.909 0.364 CB 1.527 12 residues pruned to eliminate duplicates Z: 106 80.130 2.267 0.948 0.663 0.943 0.657 CA 1.615 47 residues pruned to eliminate duplicates Z: 20 35.285 2.326 0.791 0.866 0.947 0.421 CA 1.502 20 residues pruned to eliminate duplicates Z: 20 40.544 2.287 0.736 0.875 1.000 0.526 CA 1.705 20 residues pruned to eliminate duplicates Z: 12 18.190 1.981 0.468 0.807 0.909 0.636 CA 1.588 12 residues pruned to eliminate duplicates Z: 131 78.657 2.253 0.879 0.640 0.900 0.600 CB 1.588 126 residues pruned to eliminate duplicates Z: 22 32.956 2.282 0.645 0.698 1.000 0.714 CA 1.600 22 residues pruned to eliminate duplicates Z: 15 20.544 2.153 0.667 0.841 0.929 0.786 CA 1.229 15 residues pruned to eliminate duplicates Z: 14 27.789 2.125 0.883 0.871 0.923 0.769 CA 1.522 14 residues pruned to eliminate duplicates Z: 20 35.714 2.239 1.022 0.810 0.947 0.474 CB 1.458 20 residues pruned to eliminate duplicates Z: 17 34.547 2.179 0.963 0.900 0.938 0.750 CA 1.537 17 residues pruned to eliminate duplicates Z: 12 8.017 1.774 0.666 0.382 0.818 0.364 N 1.134 Z: 12 31.648 2.311 1.085 0.833 0.909 0.909 CA 1.634 12 residues pruned to eliminate duplicates Z: 17 18.626 2.176 0.335 0.813 0.875 0.812 CA 1.395 17 residues pruned to eliminate duplicates Z: 40 37.766 2.246 0.835 0.494 0.872 0.538 CA 1.693 40 residues pruned to eliminate duplicates Z: 13 22.551 1.946 0.533 0.905 1.000 0.750 CA 1.554 13 residues pruned to eliminate duplicates Z: 14 25.384 2.302 0.427 0.893 1.000 0.846 CA 1.539 14 residues pruned to eliminate duplicates Z: 56 55.286 2.279 0.718 0.732 0.945 0.727 CA 1.634 55 residues pruned to eliminate duplicates Z: 13 33.527 2.367 1.074 0.838 1.000 0.583 CB 1.474 13 residues pruned to eliminate duplicates Z: 11 20.079 2.021 0.639 0.872 1.000 0.900 CA 1.397 Z: 13 22.444 2.074 0.779 0.804 0.917 0.750 CA 1.468 13 residues pruned to eliminate duplicates Z: 14 30.199 2.137 1.016 0.881 1.000 0.538 CB 1.408 14 residues pruned to eliminate duplicates Z: 79 53.598 2.300 0.785 0.527 0.859 0.615 CB 1.675 79 residues pruned to eliminate duplicates Z: 14 30.986 2.223 0.867 0.840 1.000 0.923 CA 1.545 14 residues pruned to eliminate duplicates Z: 15 34.782 2.233 1.149 0.803 0.929 0.643 CA 1.602 15 residues pruned to eliminate duplicates Z: 20 37.758 2.184 0.912 0.873 0.947 0.579 CA 1.595 20 residues pruned to eliminate duplicates Z: 10 13.932 1.985 0.307 0.835 1.000 0.556 CB 1.341 10 residues pruned to eliminate duplicates Z: 14 26.184 2.181 0.698 0.915 0.923 0.769 CA 1.501 14 residues pruned to eliminate duplicates Z: 14 36.063 2.314 0.957 0.838 1.000 0.692 CB 1.651 14 residues pruned to eliminate duplicates Z: 11 27.076 2.043 1.089 0.842 1.000 0.900 CA 1.495 11 residues pruned to eliminate duplicates Z: 12 26.705 2.043 0.648 0.922 1.000 0.909 CA 1.682 12 residues pruned to eliminate duplicates Z: 13 40.970 2.318 1.047 0.915 1.000 0.833 CB 1.762 13 residues pruned to eliminate duplicates Z: 17 31.173 2.220 0.808 0.850 0.875 0.562 CB 1.644 17 residues pruned to eliminate duplicates Z: 12 24.369 1.991 0.731 0.893 1.000 0.727 CB 1.531 12 residues pruned to eliminate duplicates Z: 19 33.594 2.141 0.764 0.882 1.000 0.667 CA 1.517 19 residues pruned to eliminate duplicates Z: 10 27.457 2.238 1.078 0.886 0.889 0.667 CA 1.597 10 residues pruned to eliminate duplicates Z: 20 31.861 2.214 0.767 0.841 0.842 0.684 CA 1.655 20 residues pruned to eliminate duplicates Z: 6 8.927 2.102 0.701 0.527 0.800 0.400 CB 1.359 6 residues pruned to eliminate duplicates Z: 22 25.052 2.061 0.757 0.739 0.810 0.619 CA 1.505 22 residues pruned to eliminate duplicates Z: 12 20.298 2.056 0.792 0.855 0.909 0.727 CA 1.349 11 residues pruned to eliminate duplicates Z: 13 30.921 1.959 0.972 0.929 1.000 0.833 CA 1.617 13 residues pruned to eliminate duplicates Z: 13 24.047 2.211 0.768 0.817 0.917 0.667 CA 1.470 13 residues pruned to eliminate duplicates Z: 46 32.411 2.189 0.693 0.463 0.867 0.467 CB 1.562 46 residues pruned to eliminate duplicates Z: 24 16.684 2.047 0.715 0.397 0.826 0.478 CA 1.337 24 residues pruned to eliminate duplicates Z: 14 19.571 2.077 0.380 0.786 0.923 0.846 CB 1.596 14 residues pruned to eliminate duplicates Z: 6 3.618 1.837 0.506 0.447 0.600 0.400 CB 1.030 Z: 20 36.837 2.200 0.895 0.887 0.895 0.632 CA 1.633 20 residues pruned to eliminate duplicates Z: 14 36.429 2.263 1.006 0.904 1.000 0.846 CB 1.585 14 residues pruned to eliminate duplicates Z: 19 33.798 2.161 0.820 0.867 1.000 0.778 CA 1.482 19 residues pruned to eliminate duplicates Z: 8 9.719 1.763 0.553 0.724 0.857 0.571 CA 1.279 8 residues pruned to eliminate duplicates Z: 12 34.191 2.057 1.058 0.917 1.000 0.909 CB 1.719 12 residues pruned to eliminate duplicates Z: 16 32.769 2.248 0.877 0.901 0.933 0.800 CB 1.533 16 residues pruned to eliminate duplicates Z: 18 52.377 2.416 1.298 0.882 0.941 0.706 CB 1.759 19 residues pruned to eliminate duplicates Z: 7 3.959 1.873 0.265 0.355 0.667 0.667 CB 1.197 Z: 13 30.831 2.513 0.750 0.809 0.917 0.750 CA 1.687 13 residues pruned to eliminate duplicates Z: 12 21.446 2.379 0.228 0.893 1.000 0.818 CA 1.589 12 residues pruned to eliminate duplicates Z: 157 76.276 2.239 0.814 0.604 0.885 0.609 CA 1.539 131 residues pruned to eliminate duplicates Z: 13 32.420 1.929 1.252 0.892 1.000 0.667 CB 1.547 13 residues pruned to eliminate duplicates Z: 15 18.755 2.019 0.551 0.770 0.929 0.786 CA 1.357 15 residues pruned to eliminate duplicates Z: 127 82.421 2.247 0.950 0.641 0.913 0.627 CA 1.610 125 residues pruned to eliminate duplicates Z: 23 17.775 2.060 0.602 0.445 0.818 0.409 CB 1.486 23 residues pruned to eliminate duplicates Z: 6 10.640 1.795 0.639 0.820 1.000 1.000 CA 1.225 6 residues pruned to eliminate duplicates Z: 12 22.335 1.986 0.944 0.858 1.000 0.818 CA 1.284 12 residues pruned to eliminate duplicates Z: 13 19.766 2.177 0.317 0.880 1.000 0.833 CA 1.442 13 residues pruned to eliminate duplicates Z: 20 31.128 2.029 0.781 0.855 0.947 0.579 CB 1.540 20 residues pruned to eliminate duplicates Z: 6 3.969 1.264 1.206 0.563 0.800 0.400 CA 0.749 5 residues pruned to eliminate duplicates Z: 23 27.109 1.999 0.698 0.826 0.909 0.682 CA 1.412 23 residues pruned to eliminate duplicates Z: 12 30.283 2.153 0.978 0.934 1.000 0.636 CA 1.495 12 residues pruned to eliminate duplicates Z: 16 19.360 2.121 0.407 0.824 0.800 0.667 CA 1.581 16 residues pruned to eliminate duplicates Z: 10 11.113 1.822 0.442 0.837 0.889 0.889 CA 1.187 Z: 20 23.567 2.045 0.332 0.822 1.000 0.684 CA 1.501 20 residues pruned to eliminate duplicates Z: 42 33.762 2.194 0.771 0.530 0.829 0.537 CB 1.588 42 residues pruned to eliminate duplicates Z: 88 70.577 2.225 0.893 0.732 0.943 0.713 CB 1.547 88 residues pruned to eliminate duplicates Z: 13 30.130 2.234 1.034 0.838 1.000 0.833 CA 1.431 13 residues pruned to eliminate duplicates Z: 11 28.115 2.344 0.918 0.916 1.000 0.700 CB 1.397 12 residues pruned to eliminate duplicates Z: 12 41.989 2.556 1.080 0.901 1.000 0.909 CA 1.700 12 residues pruned to eliminate duplicates Z: 13 36.424 2.249 1.093 0.880 1.000 0.750 CA 1.618 13 residues pruned to eliminate duplicates Z: 18 24.539 2.179 0.421 0.823 0.941 0.824 CA 1.543 18 residues pruned to eliminate duplicates Z: 28 42.798 2.365 0.853 0.685 0.963 0.741 CA 1.647 28 residues pruned to eliminate duplicates Z: 13 24.211 1.926 0.696 0.902 1.000 0.583 CB 1.526 13 residues pruned to eliminate duplicates Z: 76 43.664 2.228 0.797 0.498 0.800 0.493 CB 1.577 76 residues pruned to eliminate duplicates Z: 15 23.995 2.147 0.905 0.778 0.929 0.643 CB 1.322 15 residues pruned to eliminate duplicates Z: 12 18.815 2.162 0.515 0.818 0.909 0.545 CB 1.445 12 residues pruned to eliminate duplicates Z: 21 36.562 2.175 1.089 0.886 0.950 0.700 CA 1.367 21 residues pruned to eliminate duplicates Z: 20 24.435 2.058 0.463 0.792 1.000 0.526 CB 1.441 20 residues pruned to eliminate duplicates Z: 13 24.539 2.124 0.935 0.800 0.917 0.583 CA 1.446 13 residues pruned to eliminate duplicates Z: 23 36.536 2.147 0.722 0.827 0.955 0.500 CB 1.664 23 residues pruned to eliminate duplicates Z: 13 27.821 2.263 0.837 0.906 1.000 0.917 CA 1.374 13 residues pruned to eliminate duplicates Z: 21 30.646 2.014 0.849 0.800 0.950 0.650 CB 1.490 21 residues pruned to eliminate duplicates Z: 14 33.542 2.265 1.281 0.921 1.000 0.692 CB 1.267 14 residues pruned to eliminate duplicates Z: 12 32.046 2.061 0.950 0.920 1.000 0.727 CA 1.693 12 residues pruned to eliminate duplicates Z: 20 32.821 2.270 1.029 0.889 0.789 0.684 CA 1.491 20 residues pruned to eliminate duplicates Z: 14 33.333 2.283 0.967 0.829 1.000 0.692 CB 1.548 14 residues pruned to eliminate duplicates Z: 35 43.079 2.238 1.057 0.724 0.971 0.412 CB 1.351 19 residues pruned to eliminate duplicates Z: 23 36.624 2.363 0.818 0.576 0.955 0.545 CB 1.769 22 residues pruned to eliminate duplicates Z: 12 22.970 2.168 0.639 0.924 0.909 0.909 CB 1.505 12 residues pruned to eliminate duplicates Z: 133 74.303 2.239 0.891 0.640 0.917 0.553 CB 1.461 98 residues pruned to eliminate duplicates Z: 40 30.665 2.205 0.712 0.534 0.872 0.564 CB 1.443 40 residues pruned to eliminate duplicates Z: 14 27.484 2.233 0.627 0.925 1.000 1.000 CB 1.472 14 residues pruned to eliminate duplicates Z: 134 81.968 2.225 0.960 0.641 0.895 0.594 CA 1.597 126 residues pruned to eliminate duplicates Z: 10 31.655 2.180 1.059 0.902 1.000 0.778 CB 1.676 10 residues pruned to eliminate duplicates Z: 17 31.138 2.151 0.770 0.910 0.938 0.375 CA 1.547 17 residues pruned to eliminate duplicates Z: 12 28.555 2.147 0.671 0.862 1.000 0.545 CA 1.762 12 residues pruned to eliminate duplicates Z: 111 81.947 2.240 0.965 0.688 0.900 0.645 CA 1.660 115 residues pruned to eliminate duplicates Z: 14 39.277 2.290 1.110 0.869 1.000 0.692 CB 1.646 14 residues pruned to eliminate duplicates Z: 12 22.647 2.024 0.855 0.892 0.909 0.727 CA 1.436 12 residues pruned to eliminate duplicates Z: 18 21.942 2.008 0.588 0.873 0.882 0.824 CB 1.378 Z: 6 3.265 1.829 0.074 0.425 0.600 0.400 CB 1.340 6 residues pruned to eliminate duplicates Z: 27 27.077 2.010 0.905 0.515 1.000 0.731 CB 1.366 Z: 12 36.847 2.566 0.997 0.847 0.909 0.636 CA 1.770 12 residues pruned to eliminate duplicates Z: 12 20.652 2.128 1.006 0.905 1.000 0.545 CB 1.038 12 residues pruned to eliminate duplicates Z: 9 8.159 1.759 -0.018 0.728 1.000 0.875 CB 1.360 Z: 15 23.898 1.989 0.693 0.779 1.000 0.500 CB 1.483 15 residues pruned to eliminate duplicates Z: 77 43.396 2.073 0.817 0.558 0.895 0.579 CB 1.396 22 residues pruned to eliminate duplicates Z: 11 31.569 2.169 1.263 0.903 0.900 0.800 CA 1.611 11 residues pruned to eliminate duplicates Z: 7 10.232 1.938 0.283 0.637 1.000 0.833 CA 1.477 7 residues pruned to eliminate duplicates Z: 6 7.499 1.948 0.097 0.569 1.000 0.400 CB 1.468 Z: 103 57.765 2.178 0.825 0.627 0.912 0.500 CB 1.400 103 residues pruned to eliminate duplicates Z: 22 26.703 2.074 0.710 0.816 0.905 0.762 CA 1.380 22 residues pruned to eliminate duplicates Z: 93 53.580 2.181 0.728 0.622 0.870 0.587 CB 1.519 93 residues pruned to eliminate duplicates Z: 13 26.874 1.940 0.939 0.880 1.000 0.750 CA 1.495 13 residues pruned to eliminate duplicates Z: 66 37.701 2.089 0.582 0.526 0.923 0.600 CB 1.495 55 residues pruned to eliminate duplicates Z: 193 92.699 2.223 0.877 0.564 0.911 0.583 CA 1.654 193 residues pruned to eliminate duplicates Z: 12 20.990 1.877 1.021 0.861 1.000 0.818 CB 1.227 12 residues pruned to eliminate duplicates Z: 17 23.959 1.963 0.758 0.871 0.938 0.500 CA 1.351 18 residues pruned to eliminate duplicates Z: 14 31.358 2.151 0.964 0.855 1.000 0.769 CA 1.519 14 residues pruned to eliminate duplicates Z: 37 33.784 2.138 1.104 0.658 0.806 0.444 CB 1.342 37 residues pruned to eliminate duplicates Z: 14 11.867 1.878 0.833 0.354 0.846 0.462 CA 1.324 14 residues pruned to eliminate duplicates Z: 20 31.773 2.067 0.911 0.871 0.947 0.579 CB 1.421 20 residues pruned to eliminate duplicates Z: 15 23.595 2.115 0.853 0.707 0.857 0.643 CB 1.555 15 residues pruned to eliminate duplicates Z: 7 5.517 1.754 0.415 0.543 0.667 0.500 CB 1.305 7 residues pruned to eliminate duplicates Z: 92 77.151 2.308 1.024 0.637 0.934 0.582 CA 1.631 92 residues pruned to eliminate duplicates Z: 10 23.326 2.011 0.742 0.903 1.000 0.778 CB 1.582 10 residues pruned to eliminate duplicates Z: 38 27.280 2.148 0.676 0.645 0.865 0.486 CB 1.258 38 residues pruned to eliminate duplicates Z: 55 56.314 2.303 0.819 0.719 0.926 0.593 CB 1.621 55 residues pruned to eliminate duplicates Z: 17 25.797 1.982 0.875 0.846 0.938 0.625 CB 1.374 17 residues pruned to eliminate duplicates Z: 12 20.005 1.920 0.815 0.920 1.000 0.818 CA 1.219 12 residues pruned to eliminate duplicates Z: 12 18.878 1.902 0.733 0.873 1.000 0.818 CB 1.258 12 residues pruned to eliminate duplicates Z: 134 84.151 2.276 0.916 0.636 0.910 0.579 CB 1.619 134 residues pruned to eliminate duplicates Z: 134 81.732 2.264 0.899 0.651 0.887 0.549 CB 1.614 134 residues pruned to eliminate duplicates Z: 12 19.284 1.975 0.745 0.921 1.000 0.818 CB 1.187 13 residues pruned to eliminate duplicates Z: 49 34.782 2.142 0.595 0.512 0.938 0.583 CB 1.548 49 residues pruned to eliminate duplicates Z: 9 8.833 1.688 0.599 0.443 1.000 0.750 CB 1.228 Z: 12 30.191 2.392 0.867 0.887 0.909 0.727 CA 1.616 12 residues pruned to eliminate duplicates Z: 19 25.141 1.942 0.904 0.833 0.889 0.722 CB 1.352 20 residues pruned to eliminate duplicates Z: 18 63.498 2.375 1.519 0.911 1.000 0.824 CB 1.824 18 residues pruned to eliminate duplicates Z: 14 33.618 2.235 0.895 0.872 1.000 0.923 CB 1.604 14 residues pruned to eliminate duplicates Z: 40 21.590 1.843 0.691 0.493 0.897 0.538 CB 1.245 8 residues pruned to eliminate duplicates Z: 6 4.967 1.415 0.669 0.854 1.000 1.000 CB 0.694 6 residues pruned to eliminate duplicates Z: 37 39.859 2.222 0.923 0.682 0.889 0.444 CB 1.480 37 residues pruned to eliminate duplicates Z: 19 22.221 2.103 0.383 0.804 1.000 0.778 CA 1.381 19 residues pruned to eliminate duplicates Z: 12 17.733 1.844 0.661 0.900 0.909 0.818 CB 1.372 12 residues pruned to eliminate duplicates Z: 7 7.591 1.736 1.025 0.554 0.833 0.500 N 1.003 7 residues pruned to eliminate duplicates Z: 113 82.406 2.229 0.912 0.686 0.938 0.625 CA 1.644 113 residues pruned to eliminate duplicates Z: 19 34.523 2.337 0.630 0.872 0.944 0.778 CB 1.648 19 residues pruned to eliminate duplicates Z: 12 23.032 1.985 0.854 0.885 1.000 0.636 CA 1.363 12 residues pruned to eliminate duplicates Z: 9 13.006 2.006 0.317 0.847 0.875 0.750 CB 1.477 9 residues pruned to eliminate duplicates Z: 19 24.404 2.037 0.564 0.851 0.944 0.667 CA 1.416 19 residues pruned to eliminate duplicates Z: 69 44.401 2.178 0.744 0.504 0.941 0.676 CA 1.500 71 residues pruned to eliminate duplicates Z: 12 10.636 1.811 0.231 0.796 0.909 0.818 CA 1.221 12 residues pruned to eliminate duplicates Z: 11 23.253 2.331 0.658 0.887 1.000 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 12 25.567 2.264 0.710 0.922 1.000 0.909 CA 1.401 12 residues pruned to eliminate duplicates Z: 21 33.472 2.229 1.044 0.837 0.800 0.650 CA 1.536 21 residues pruned to eliminate duplicates Z: 13 19.709 2.040 0.659 0.891 0.833 0.750 CB 1.451 13 residues pruned to eliminate duplicates Z: 7 10.745 2.048 0.419 0.677 1.000 0.667 CB 1.282 8 residues pruned to eliminate duplicates Z: 106 60.740 2.226 0.714 0.631 0.886 0.600 CB 1.551 106 residues pruned to eliminate duplicates Z: 125 68.963 2.233 0.870 0.632 0.855 0.565 CB 1.532 125 residues pruned to eliminate duplicates Z: 122 80.158 2.285 0.815 0.638 0.934 0.612 CA 1.653 122 residues pruned to eliminate duplicates Z: 65 28.966 2.041 0.446 0.502 0.922 0.672 CB 1.327 49 residues pruned to eliminate duplicates Z: 6 11.487 1.778 0.762 0.853 0.800 0.800 CB 1.515 6 residues pruned to eliminate duplicates Z: 13 28.173 2.225 0.741 0.868 1.000 0.583 CA 1.535 13 residues pruned to eliminate duplicates Z: 13 24.564 1.991 0.743 0.815 1.000 0.750 CA 1.555 13 residues pruned to eliminate duplicates Z: 11 21.025 1.911 0.701 0.884 1.000 0.600 CB 1.477 11 residues pruned to eliminate duplicates Z: 12 20.260 2.023 0.803 0.892 1.000 0.818 CA 1.203 12 residues pruned to eliminate duplicates Z: 14 35.812 2.257 1.088 0.912 1.000 0.769 CB 1.493 14 residues pruned to eliminate duplicates Z: 16 12.809 1.886 -0.001 0.870 1.000 0.800 CB 1.282 9 residues pruned to eliminate duplicates Z: 8 17.895 2.115 0.477 0.836 1.000 0.571 CB 1.620 8 residues pruned to eliminate duplicates Z: 23 16.884 2.018 0.629 0.470 0.864 0.455 CB 1.307 23 residues pruned to eliminate duplicates Z: 17 27.084 1.948 0.871 0.916 1.000 0.750 CA 1.311 17 residues pruned to eliminate duplicates Z: 130 81.227 2.256 0.821 0.652 0.930 0.636 CB 1.625 130 residues pruned to eliminate duplicates Z: 13 27.521 2.341 0.715 0.924 0.833 0.583 CB 1.668 13 residues pruned to eliminate duplicates Z: 37 27.499 2.192 0.781 0.523 0.889 0.583 CB 1.291 37 residues pruned to eliminate duplicates Z: 21 33.612 2.241 0.815 0.878 0.900 0.650 CA 1.490 21 residues pruned to eliminate duplicates Z: 9 11.381 1.887 0.142 0.808 1.000 0.500 CB 1.427 9 residues pruned to eliminate duplicates Z: 20 22.178 2.227 1.013 0.465 0.789 0.632 CA 1.490 20 residues pruned to eliminate duplicates Z: 20 18.420 1.937 0.193 0.845 1.000 0.947 CA 1.359 20 residues pruned to eliminate duplicates Z: 22 37.655 2.102 0.990 0.873 0.905 0.476 CA 1.582 22 residues pruned to eliminate duplicates Z: 32 25.459 2.102 0.608 0.479 0.871 0.484 CB 1.587 32 residues pruned to eliminate duplicates Z: 8 3.698 1.590 0.187 0.240 0.857 0.286 CB 1.167 5 residues pruned to eliminate duplicates Z: 13 27.429 2.081 0.978 0.896 0.917 0.833 CA 1.503 13 residues pruned to eliminate duplicates Z: 14 16.981 1.835 0.598 0.873 0.923 0.846 CA 1.267 14 residues pruned to eliminate duplicates Z: 7 9.148 2.310 0.083 0.877 0.833 0.833 CA 1.300 7 residues pruned to eliminate duplicates Z: 12 17.811 1.875 0.700 0.829 0.909 0.727 CB 1.394 12 residues pruned to eliminate duplicates Z: 132 86.235 2.283 0.919 0.652 0.908 0.603 CA 1.643 132 residues pruned to eliminate duplicates Z: 20 25.353 1.948 0.625 0.861 1.000 0.789 CB 1.350 20 residues pruned to eliminate duplicates Z: 15 15.467 1.890 0.966 0.735 0.857 0.571 CA 1.051 15 residues pruned to eliminate duplicates Z: 9 13.526 1.975 0.291 0.877 0.875 0.625 CB 1.556 9 residues pruned to eliminate duplicates Z: 23 25.720 2.045 0.774 0.613 0.955 0.682 CB 1.423 23 residues pruned to eliminate duplicates Z: 12 17.869 1.726 0.870 0.918 1.000 0.818 CA 1.177 10 residues pruned to eliminate duplicates Z: 12 21.039 2.058 0.553 0.932 1.000 0.818 CA 1.386 12 residues pruned to eliminate duplicates Z: 16 19.003 1.953 0.606 0.873 0.933 0.600 CB 1.220 16 residues pruned to eliminate duplicates Z: 21 34.943 2.260 0.701 0.869 0.950 0.800 CA 1.563 21 residues pruned to eliminate duplicates Z: 38 22.071 2.081 0.714 0.451 0.838 0.514 CB 1.276 38 residues pruned to eliminate duplicates Z: 120 85.735 2.213 1.024 0.670 0.916 0.546 CB 1.637 120 residues pruned to eliminate duplicates Z: 19 28.722 2.107 0.526 0.848 1.000 0.778 CA 1.562 19 residues pruned to eliminate duplicates Z: 14 25.702 2.005 0.908 0.909 1.000 0.538 CA 1.322 14 residues pruned to eliminate duplicates Z: 11 12.139 1.902 0.338 0.803 0.900 0.800 CB 1.286 11 residues pruned to eliminate duplicates Z: 17 13.386 1.857 0.089 0.855 1.000 0.938 CB 1.222 17 residues pruned to eliminate duplicates Z: 16 22.914 2.009 0.865 0.743 0.933 0.733 CB 1.361 16 residues pruned to eliminate duplicates Z: 16 13.847 2.011 0.762 0.460 0.733 0.533 CB 1.434 16 residues pruned to eliminate duplicates Z: 19 41.071 2.253 1.189 0.853 0.944 0.556 CA 1.536 19 residues pruned to eliminate duplicates Z: 13 28.553 2.047 1.241 0.919 1.000 0.667 CB 1.266 13 residues pruned to eliminate duplicates Z: 7 7.503 1.949 0.403 0.598 0.833 0.500 CA 1.225 7 residues pruned to eliminate duplicates Z: 14 15.204 1.708 0.470 0.891 1.000 0.923 CB 1.207 14 residues pruned to eliminate duplicates Z: 108 64.735 2.200 0.748 0.666 0.925 0.664 CB 1.508 128 residues pruned to eliminate duplicates Z: 97 75.601 2.251 0.946 0.694 0.896 0.604 CB 1.647 97 residues pruned to eliminate duplicates Z: 13 17.158 1.803 0.527 0.867 1.000 0.750 CB 1.316 13 residues pruned to eliminate duplicates Z: 22 37.172 2.195 0.766 0.879 1.000 0.619 CA 1.518 22 residues pruned to eliminate duplicates Z: 8 15.155 2.059 0.398 0.810 1.000 0.857 CA 1.519 8 residues pruned to eliminate duplicates Z: 18 27.298 1.914 0.940 0.871 1.000 0.941 CA 1.300 18 residues pruned to eliminate duplicates Z: 14 15.137 2.029 0.214 0.636 0.923 0.538 CB 1.625 Z: 17 19.511 1.923 0.514 0.835 0.938 0.625 CB 1.339 16 residues pruned to eliminate duplicates Z: 57 54.197 2.129 0.971 0.655 0.911 0.661 CB 1.642 57 residues pruned to eliminate duplicates Z: 11 20.536 2.259 0.410 0.908 0.900 0.900 CA 1.609 11 residues pruned to eliminate duplicates Z: 13 16.639 1.868 0.670 0.896 1.000 0.583 CA 1.103 13 residues pruned to eliminate duplicates Z: 9 5.957 1.796 0.357 0.480 0.750 0.500 CB 1.176 9 residues pruned to eliminate duplicates Z: 12 21.941 2.065 0.521 0.925 1.000 0.909 CA 1.478 12 residues pruned to eliminate duplicates Z: 13 44.595 2.404 1.083 0.932 1.000 0.667 CB 1.795 13 residues pruned to eliminate duplicates Z: 12 18.792 2.013 0.600 0.930 1.000 1.000 CA 1.230 12 residues pruned to eliminate duplicates Z: 11 20.280 1.919 0.670 0.895 1.000 0.900 CA 1.434 13 residues pruned to eliminate duplicates Z: 12 26.338 2.253 0.839 0.856 0.909 0.455 CB 1.555 12 residues pruned to eliminate duplicates Z: 16 22.388 1.960 0.609 0.884 1.000 0.600 CA 1.325 16 residues pruned to eliminate duplicates Z: 12 29.943 2.221 1.050 0.823 0.909 0.545 CB 1.648 12 residues pruned to eliminate duplicates Z: 10 10.933 1.932 0.467 0.784 0.889 0.667 CB 1.126 10 residues pruned to eliminate duplicates Z: 13 18.773 1.978 0.558 0.886 1.000 0.750 CB 1.269 12 residues pruned to eliminate duplicates Z: 7 5.110 1.953 0.473 0.396 0.667 0.500 CB 1.214 7 residues pruned to eliminate duplicates Z: 18 22.166 1.955 0.556 0.871 1.000 0.882 CA 1.290 18 residues pruned to eliminate duplicates Z: 12 35.596 2.373 1.256 0.800 0.909 0.636 CB 1.696 12 residues pruned to eliminate duplicates Z: 8 11.950 1.990 0.145 0.869 1.000 0.571 CB 1.449 8 residues pruned to eliminate duplicates Z: 17 42.770 2.433 0.974 0.876 1.000 0.562 CB 1.617 17 residues pruned to eliminate duplicates Z: 15 24.875 2.085 0.717 0.888 0.929 0.786 CA 1.441 15 residues pruned to eliminate duplicates Z: 13 21.825 1.871 0.672 0.920 1.000 0.917 N 1.418 13 residues pruned to eliminate duplicates Z: 11 18.723 2.020 0.417 0.909 1.000 0.800 CA 1.468 11 residues pruned to eliminate duplicates Z: 6 10.608 2.180 0.276 0.704 1.000 0.800 CB 1.417 6 residues pruned to eliminate duplicates Z: 17 21.042 1.900 0.640 0.877 0.938 0.750 CA 1.308 17 residues pruned to eliminate duplicates Z: 16 21.013 1.983 0.618 0.912 0.933 0.600 CA 1.284 16 residues pruned to eliminate duplicates Z: 20 43.871 2.287 0.842 0.886 1.000 0.684 CA 1.725 20 residues pruned to eliminate duplicates Z: 12 21.346 1.992 0.863 0.843 0.818 0.727 CB 1.578 12 residues pruned to eliminate duplicates Z: 7 6.271 1.924 0.013 0.644 0.833 0.500 CA 1.377 7 residues pruned to eliminate duplicates Z: 10 16.902 2.009 0.543 0.869 0.889 0.667 CB 1.493 10 residues pruned to eliminate duplicates Z: 13 12.537 1.832 0.317 0.812 0.917 0.667 CB 1.247 13 residues pruned to eliminate duplicates Z: 12 19.125 1.876 0.426 0.902 1.000 0.727 CA 1.537 12 residues pruned to eliminate duplicates Z: 13 22.484 2.030 0.806 0.852 0.917 0.667 CB 1.428 13 residues pruned to eliminate duplicates Z: 10 16.539 2.226 0.476 0.573 1.000 0.556 CB 1.563 10 residues pruned to eliminate duplicates Z: 19 22.212 2.048 0.506 0.789 0.889 0.500 CA 1.482 19 residues pruned to eliminate duplicates Z: 22 41.332 2.198 0.885 0.861 1.000 0.619 CA 1.599 22 residues pruned to eliminate duplicates Z: 11 9.273 1.744 0.756 0.724 0.600 0.500 CB 1.304 Z: 12 19.017 2.001 0.527 0.917 0.909 0.818 CB 1.457 12 residues pruned to eliminate duplicates Z: 20 31.628 2.238 0.706 0.874 0.947 0.684 CA 1.460 20 residues pruned to eliminate duplicates Z: 11 28.888 2.062 1.240 0.898 0.900 0.800 CA 1.572 11 residues pruned to eliminate duplicates Z: 17 16.195 1.867 0.524 0.832 0.938 0.750 CB 1.140 17 residues pruned to eliminate duplicates Z: 15 19.118 2.020 0.299 0.924 1.000 0.929 CA 1.368 15 residues pruned to eliminate duplicates Z: 36 28.324 2.199 0.621 0.611 0.943 0.743 CA 1.283 49 residues pruned to eliminate duplicates Z: 18 35.541 2.229 0.860 0.910 0.882 0.647 CA 1.672 18 residues pruned to eliminate duplicates Z: 16 14.743 1.990 0.842 0.408 0.800 0.467 CB 1.430 16 residues pruned to eliminate duplicates Z: 135 87.032 2.311 0.899 0.594 0.918 0.560 CA 1.705 135 residues pruned to eliminate duplicates Z: 133 79.941 2.204 0.922 0.650 0.902 0.636 CA 1.584 133 residues pruned to eliminate duplicates Z: 6 8.318 1.621 0.417 0.761 1.000 0.800 CB 1.285 6 residues pruned to eliminate duplicates Z: 19 21.853 1.911 0.742 0.794 0.944 0.722 CA 1.266 19 residues pruned to eliminate duplicates Z: 11 20.396 2.031 0.865 0.881 1.000 0.700 CA 1.233 11 residues pruned to eliminate duplicates Z: 22 39.962 2.206 1.023 0.827 0.905 0.571 CA 1.628 22 residues pruned to eliminate duplicates Z: 42 39.295 2.177 0.876 0.546 0.927 0.439 CB 1.550 42 residues pruned to eliminate duplicates Z: 13 21.170 2.110 0.563 0.869 1.000 0.833 CA 1.354 13 residues pruned to eliminate duplicates Z: 22 37.390 2.189 0.814 0.882 0.952 0.571 CA 1.561 22 residues pruned to eliminate duplicates Z: 20 19.316 1.776 0.650 0.855 0.947 0.895 CA 1.178 20 residues pruned to eliminate duplicates Z: 6 5.985 1.649 0.325 0.797 1.000 0.800 CB 0.945 6 residues pruned to eliminate duplicates Z: 18 40.123 2.230 0.983 0.903 1.000 0.765 CA 1.568 18 residues pruned to eliminate duplicates Z: 13 20.330 2.024 1.083 0.918 0.917 0.417 CB 1.071 13 residues pruned to eliminate duplicates Z: 13 37.284 2.258 1.370 0.919 1.000 0.167 CB 1.418 13 residues pruned to eliminate duplicates Z: 20 34.141 2.300 0.910 0.860 0.895 0.684 CA 1.465 20 residues pruned to eliminate duplicates Z: 13 22.492 2.087 0.773 0.929 1.000 0.667 CB 1.228 13 residues pruned to eliminate duplicates Z: 13 17.808 1.889 0.333 0.896 1.000 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 47 44.719 2.323 0.867 0.516 0.870 0.500 CB 1.720 47 residues pruned to eliminate duplicates Z: 10 14.196 1.888 0.636 0.722 0.889 0.556 CA 1.411 10 residues pruned to eliminate duplicates Z: 8 7.912 1.736 0.873 0.557 1.000 1.000 CB 0.870 8 residues pruned to eliminate duplicates Z: 13 22.945 2.227 0.389 0.862 1.000 0.917 CA 1.571 13 residues pruned to eliminate duplicates Z: 7 6.430 1.534 1.255 0.599 0.667 0.500 CB 1.036 7 residues pruned to eliminate duplicates Z: 7 4.200 1.677 0.768 0.443 0.833 0.500 CB 0.736 Z: 127 70.014 2.206 0.779 0.621 0.905 0.595 CA 1.566 127 residues pruned to eliminate duplicates Z: 6 7.316 2.024 0.501 0.470 1.000 0.400 CA 1.110 6 residues pruned to eliminate duplicates Z: 11 19.918 2.027 0.696 0.925 1.000 0.900 CB 1.286 11 residues pruned to eliminate duplicates Z: 9 13.011 1.945 0.348 0.888 0.875 0.750 N 1.444 9 residues pruned to eliminate duplicates Z: 13 25.583 1.943 1.123 0.868 1.000 0.833 CA 1.309 13 residues pruned to eliminate duplicates Z: 13 18.727 1.870 0.847 0.910 1.000 0.750 CA 1.110 13 residues pruned to eliminate duplicates Z: 18 14.774 1.852 0.475 0.784 0.882 0.588 CB 1.158 18 residues pruned to eliminate duplicates Z: 7 5.724 1.917 0.153 0.511 0.833 0.500 CB 1.255 Z: 12 20.459 2.051 0.462 0.898 1.000 0.636 CA 1.471 12 residues pruned to eliminate duplicates Z: 23 27.700 2.105 0.751 0.768 0.909 0.682 CA 1.390 23 residues pruned to eliminate duplicates Z: 13 20.279 1.833 0.820 0.881 1.000 0.667 CA 1.271 13 residues pruned to eliminate duplicates Z: 28 18.115 1.846 0.467 0.633 0.926 0.741 CB 1.227 28 residues pruned to eliminate duplicates Z: 14 27.344 2.146 0.952 0.803 0.923 0.692 CA 1.506 14 residues pruned to eliminate duplicates Z: 25 34.669 2.388 0.873 0.530 0.875 0.667 CA 1.755 25 residues pruned to eliminate duplicates Z: 17 23.326 1.917 0.794 0.903 0.938 0.812 CA 1.289 17 residues pruned to eliminate duplicates Z: 48 18.245 1.857 0.219 0.528 0.936 0.660 CB 1.222 47 residues pruned to eliminate duplicates Z: 12 16.361 1.956 0.488 0.914 1.000 0.909 CA 1.199 12 residues pruned to eliminate duplicates Z: 20 35.771 2.292 0.679 0.851 0.947 0.737 CA 1.665 20 residues pruned to eliminate duplicates Z: 28 26.469 2.266 0.687 0.529 0.815 0.481 CB 1.590 28 residues pruned to eliminate duplicates Z: 12 17.052 1.841 0.649 0.848 1.000 0.545 CB 1.257 12 residues pruned to eliminate duplicates Z: 17 21.288 1.895 0.813 0.797 0.875 0.688 CA 1.365 17 residues pruned to eliminate duplicates Z: 13 22.671 2.036 0.396 0.891 1.000 0.917 CA 1.655 13 residues pruned to eliminate duplicates Z: 11 15.653 2.008 0.606 0.908 1.000 1.000 CA 1.090 11 residues pruned to eliminate duplicates Z: 14 24.359 2.072 0.751 0.861 1.000 0.615 CA 1.368 14 residues pruned to eliminate duplicates Z: 7 9.474 1.699 0.305 0.874 1.000 0.833 CB 1.269 7 residues pruned to eliminate duplicates Z: 12 21.465 2.200 0.716 0.904 1.000 0.818 CB 1.221 12 residues pruned to eliminate duplicates Z: 18 16.239 1.827 0.584 0.806 0.824 0.471 CB 1.265 18 residues pruned to eliminate duplicates Z: 9 9.908 1.610 0.348 0.871 1.000 0.750 CB 1.177 Z: 15 22.287 1.899 0.740 0.869 0.929 0.714 CA 1.419 15 residues pruned to eliminate duplicates Z: 30 18.439 1.946 0.647 0.443 0.897 0.586 CB 1.262 15 residues pruned to eliminate duplicates Z: 42 35.113 2.147 0.794 0.528 0.902 0.512 CB 1.534 42 residues pruned to eliminate duplicates Z: 51 52.001 2.137 0.964 0.722 0.880 0.640 CA 1.629 51 residues pruned to eliminate duplicates Z: 13 20.254 1.961 0.862 0.851 0.917 0.500 CB 1.293 13 residues pruned to eliminate duplicates Z: 17 9.947 1.812 0.681 0.479 0.750 0.250 CA 1.111 17 residues pruned to eliminate duplicates Z: 13 17.322 1.723 0.748 0.902 0.833 0.583 CA 1.421 13 residues pruned to eliminate duplicates Z: 20 19.245 1.871 0.620 0.636 0.895 0.579 CB 1.432 20 residues pruned to eliminate duplicates Z: 8 12.349 1.951 0.487 0.801 0.857 0.571 CB 1.443 8 residues pruned to eliminate duplicates Z: 12 16.728 1.891 0.636 0.813 0.909 0.818 CA 1.366 12 residues pruned to eliminate duplicates Z: 13 20.261 2.156 0.585 0.898 1.000 0.917 CB 1.224 13 residues pruned to eliminate duplicates Z: 30 35.601 2.298 0.946 0.588 0.931 0.586 CB 1.459 30 residues pruned to eliminate duplicates Z: 21 34.386 2.198 0.850 0.794 0.900 0.300 CB 1.624 21 residues pruned to eliminate duplicates Z: 11 18.046 1.927 0.734 0.920 1.000 0.800 CB 1.203 11 residues pruned to eliminate duplicates Z: 13 14.211 1.730 0.480 0.915 1.000 1.000 CA 1.132 13 residues pruned to eliminate duplicates Z: 7 8.793 1.756 0.294 0.752 1.000 0.500 CB 1.262 7 residues pruned to eliminate duplicates Z: 18 20.433 1.961 0.597 0.827 1.000 0.765 CA 1.193 18 residues pruned to eliminate duplicates Z: 12 17.397 1.817 0.476 0.928 1.000 0.818 CA 1.369 12 residues pruned to eliminate duplicates Z: 13 21.886 2.406 0.326 0.901 0.917 0.917 CA 1.542 13 residues pruned to eliminate duplicates Z: 47 39.073 2.124 0.760 0.559 0.957 0.609 CB 1.520 47 residues pruned to eliminate duplicates Z: 8 3.863 1.636 0.386 0.305 0.714 0.571 CA 1.119 Z: 18 17.168 1.925 0.429 0.817 0.941 0.824 CA 1.220 18 residues pruned to eliminate duplicates Z: 13 25.906 2.192 0.761 0.854 1.000 0.750 CA 1.431 13 residues pruned to eliminate duplicates Z: 13 31.570 2.183 1.076 0.869 1.000 0.750 CA 1.469 13 residues pruned to eliminate duplicates Z: 11 23.525 2.118 0.810 0.912 1.000 0.600 CA 1.375 11 residues pruned to eliminate duplicates Z: 50 45.128 2.282 0.912 0.504 0.898 0.551 CA 1.639 50 residues pruned to eliminate duplicates Z: 7 4.628 1.695 0.131 0.867 0.833 0.833 CB 0.865 Z: 83 64.937 2.222 0.892 0.680 0.939 0.646 CA 1.539 90 residues pruned to eliminate duplicates Z: 13 15.036 1.828 0.506 0.871 1.000 0.750 CB 1.150 13 residues pruned to eliminate duplicates Z: 7 6.298 1.773 0.274 0.717 0.833 0.500 CB 1.123 7 residues pruned to eliminate duplicates Z: 61 56.069 2.218 0.985 0.674 0.933 0.483 CB 1.500 61 residues pruned to eliminate duplicates Z: 41 33.494 2.224 0.907 0.486 0.800 0.550 CB 1.584 41 residues pruned to eliminate duplicates Z: 23 24.739 1.968 0.587 0.578 0.955 0.682 CB 1.641 23 residues pruned to eliminate duplicates Z: 195 103.309 2.263 0.966 0.607 0.912 0.572 CB 1.651 193 residues pruned to eliminate duplicates Z: 44 27.174 2.049 0.822 0.502 0.837 0.488 CB 1.323 47 residues pruned to eliminate duplicates Z: 25 22.701 1.990 1.026 0.501 0.792 0.500 CB 1.450 25 residues pruned to eliminate duplicates Z: 54 52.411 2.213 0.824 0.708 0.943 0.717 CA 1.565 54 residues pruned to eliminate duplicates Z: 17 43.401 2.245 1.142 0.943 1.000 0.938 CA 1.564 17 residues pruned to eliminate duplicates Z: 26 34.464 2.223 0.789 0.674 0.920 0.680 CB 1.604 26 residues pruned to eliminate duplicates Z: 85 48.255 2.221 0.754 0.446 0.869 0.595 CB 1.643 85 residues pruned to eliminate duplicates Z: 19 31.685 2.221 0.963 0.844 0.833 0.500 CB 1.529 19 residues pruned to eliminate duplicates Z: 7 4.671 1.650 0.449 0.754 0.833 0.500 CB 0.763 7 residues pruned to eliminate duplicates Z: 13 39.414 2.324 1.040 0.907 1.000 0.500 CA 1.705 13 residues pruned to eliminate duplicates Z: 22 23.697 2.090 0.696 0.850 0.857 0.714 CA 1.261 22 residues pruned to eliminate duplicates Z: 11 15.958 2.027 0.555 0.902 1.000 1.000 CA 1.142 11 residues pruned to eliminate duplicates Z: 20 11.899 1.943 0.646 0.349 0.842 0.421 CB 1.194 20 residues pruned to eliminate duplicates Z: 19 16.799 1.800 0.461 0.796 0.944 0.722 CB 1.230 18 residues pruned to eliminate duplicates Z: 13 7.862 1.857 0.858 0.317 0.750 0.750 CB 1.073 13 residues pruned to eliminate duplicates Z: 129 76.538 2.245 0.855 0.637 0.898 0.594 CB 1.590 129 residues pruned to eliminate duplicates Z: 13 16.888 1.855 0.362 0.928 1.000 1.000 CB 1.352 13 residues pruned to eliminate duplicates Z: 18 18.097 1.853 0.564 0.782 1.000 0.471 CB 1.182 19 residues pruned to eliminate duplicates Z: 7 3.147 1.426 0.582 0.271 0.667 0.333 CB 1.107 Z: 12 17.482 1.852 0.833 0.910 1.000 0.909 CB 1.101 12 residues pruned to eliminate duplicates Z: 12 23.700 1.910 0.863 0.843 0.909 0.636 CB 1.646 12 residues pruned to eliminate duplicates Z: 21 12.819 1.944 0.631 0.428 0.750 0.600 CB 1.298 21 residues pruned to eliminate duplicates Z: 28 22.062 2.196 0.511 0.480 0.889 0.667 CB 1.468 24 residues pruned to eliminate duplicates Z: 12 20.826 2.149 0.472 0.922 0.909 0.727 CA 1.536 12 residues pruned to eliminate duplicates Z: 12 20.153 1.851 0.620 0.866 1.000 0.818 CB 1.484 12 residues pruned to eliminate duplicates Z: 27 32.686 2.123 0.634 0.750 0.962 0.577 CB 1.538 27 residues pruned to eliminate duplicates Z: 16 11.860 1.876 0.624 0.469 0.733 0.533 CB 1.415 16 residues pruned to eliminate duplicates Z: 7 10.072 1.893 0.916 0.560 1.000 0.667 CB 1.070 10 residues pruned to eliminate duplicates Z: 13 9.601 1.686 0.472 0.547 0.833 0.583 CB 1.280 Z: 26 15.061 2.046 0.556 0.448 0.800 0.520 CB 1.248 26 residues pruned to eliminate duplicates Z: 8 2.964 1.574 0.063 0.382 0.714 0.714 N 1.062 Z: 12 21.096 2.001 0.791 0.858 1.000 0.545 CA 1.307 12 residues pruned to eliminate duplicates Z: 13 11.917 1.723 0.461 0.824 1.000 0.750 CA 1.033 13 residues pruned to eliminate duplicates Z: 19 17.578 1.814 0.424 0.853 1.000 0.944 CA 1.185 19 residues pruned to eliminate duplicates Z: 21 14.676 1.976 0.755 0.462 0.800 0.500 CB 1.229 21 residues pruned to eliminate duplicates Z: 7 4.670 1.652 0.304 0.389 0.833 0.500 CB 1.194 Z: 112 80.413 2.235 0.813 0.715 0.937 0.721 CA 1.655 112 residues pruned to eliminate duplicates Z: 14 15.824 1.827 0.467 0.843 1.000 0.692 CB 1.219 13 residues pruned to eliminate duplicates Z: 9 15.063 2.110 0.340 0.839 1.000 0.750 CA 1.407 9 residues pruned to eliminate duplicates Z: 35 32.097 2.181 0.640 0.458 0.971 0.647 CB 1.656 35 residues pruned to eliminate duplicates Z: 13 26.649 2.264 0.631 0.928 1.000 0.917 CA 1.459 13 residues pruned to eliminate duplicates Z: 10 14.501 2.049 0.259 0.851 1.000 0.556 CB 1.386 11 residues pruned to eliminate duplicates Z: 12 24.747 2.017 1.038 0.843 0.909 0.636 CA 1.487 12 residues pruned to eliminate duplicates Z: 13 22.298 1.921 0.928 0.826 1.000 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 13 30.359 2.007 0.983 0.886 1.000 0.583 CA 1.589 13 residues pruned to eliminate duplicates Z: 12 11.653 1.766 0.315 0.919 1.000 1.000 CA 1.067 12 residues pruned to eliminate duplicates Z: 13 26.968 2.092 0.610 0.932 1.000 1.000 CB 1.613 13 residues pruned to eliminate duplicates Z: 13 19.693 1.853 0.691 0.872 1.000 0.583 CB 1.322 13 residues pruned to eliminate duplicates Z: 6 5.548 1.773 0.691 0.590 0.600 0.400 CB 1.265 Z: 7 4.859 1.644 0.144 0.611 0.833 0.500 O 1.139 7 residues pruned to eliminate duplicates Z: 13 26.062 2.220 0.751 0.904 1.000 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 98 66.202 2.278 0.875 0.553 0.928 0.670 CB 1.610 99 residues pruned to eliminate duplicates Z: 7 2.922 1.505 0.533 0.567 0.667 0.667 CB 0.727 7 residues pruned to eliminate duplicates Z: 23 21.787 2.237 0.675 0.495 0.818 0.636 CB 1.523 23 residues pruned to eliminate duplicates Z: 13 15.654 1.793 1.003 0.900 0.833 0.500 CB 1.078 13 residues pruned to eliminate duplicates Z: 18 32.487 2.325 0.800 0.835 0.941 0.765 CA 1.498 18 residues pruned to eliminate duplicates Z: 52 46.760 2.319 0.780 0.518 0.902 0.725 CA 1.727 52 residues pruned to eliminate duplicates Z: 12 13.345 1.819 0.456 0.908 1.000 0.818 CA 1.080 12 residues pruned to eliminate duplicates Z: 58 31.238 2.059 0.748 0.475 0.842 0.544 CB 1.400 58 residues pruned to eliminate duplicates Z: 12 25.558 2.209 1.066 0.873 0.909 0.727 CB 1.352 12 residues pruned to eliminate duplicates Z: 11 13.317 1.910 0.156 0.826 1.000 0.600 CB 1.438 10 residues pruned to eliminate duplicates Z: 12 25.468 2.235 0.851 0.888 0.909 0.545 CA 1.471 12 residues pruned to eliminate duplicates Z: 14 36.698 2.211 1.192 0.861 1.000 0.538 CB 1.543 14 residues pruned to eliminate duplicates Z: 148 87.780 2.306 0.983 0.569 0.891 0.551 CB 1.662 148 residues pruned to eliminate duplicates Z: 44 43.053 2.326 0.853 0.521 0.907 0.581 CA 1.645 44 residues pruned to eliminate duplicates Z: 13 15.251 1.989 0.706 0.802 0.833 0.333 CB 1.195 13 residues pruned to eliminate duplicates Z: 9 6.731 1.900 0.647 0.362 0.625 0.500 CA 1.412 9 residues pruned to eliminate duplicates Z: 28 28.619 1.978 0.896 0.629 0.889 0.481 CA 1.463 28 residues pruned to eliminate duplicates Z: 35 26.995 2.146 0.789 0.443 0.882 0.441 CA 1.450 35 residues pruned to eliminate duplicates Z: 13 5.873 1.686 0.537 0.200 0.833 0.333 CA 1.122 10 residues pruned to eliminate duplicates Z: 10 10.288 2.004 -0.027 0.846 1.000 0.667 CB 1.307 10 residues pruned to eliminate duplicates Z: 13 30.916 2.103 0.829 0.901 1.000 0.667 CB 1.657 13 residues pruned to eliminate duplicates Z: 19 32.438 2.271 0.830 0.884 0.944 0.778 CA 1.407 19 residues pruned to eliminate duplicates Z: 8 8.695 2.392 0.430 0.397 0.857 0.714 CA 1.250 8 residues pruned to eliminate duplicates Z: 139 82.300 2.316 0.855 0.576 0.906 0.638 CA 1.673 139 residues pruned to eliminate duplicates Z: 77 61.691 2.255 0.910 0.682 0.882 0.645 CB 1.577 77 residues pruned to eliminate duplicates Z: 15 18.433 2.223 0.480 0.847 0.857 0.643 CA 1.297 15 residues pruned to eliminate duplicates Z: 47 30.427 1.905 0.799 0.559 0.870 0.500 CB 1.421 45 residues pruned to eliminate duplicates Z: 79 70.692 2.301 0.900 0.706 0.923 0.667 CA 1.644 79 residues pruned to eliminate duplicates Z: 17 31.763 2.279 0.731 0.883 1.000 0.812 CA 1.455 17 residues pruned to eliminate duplicates Z: 15 3.870 1.662 0.331 0.182 0.786 0.500 CA 0.873 15 residues pruned to eliminate duplicates Z: 15 30.348 2.264 0.840 0.748 0.929 0.643 CA 1.681 15 residues pruned to eliminate duplicates Z: 65 42.581 2.108 0.678 0.591 0.891 0.562 CB 1.549 65 residues pruned to eliminate duplicates Z: 7 2.566 1.168 0.530 0.627 0.833 0.333 CA 0.624 Z: 11 6.939 1.712 0.541 0.236 0.900 0.600 N 1.256 Z: 12 24.109 2.271 0.776 0.866 0.909 0.727 CA 1.451 12 residues pruned to eliminate duplicates Z: 6 8.868 1.806 0.700 0.683 0.800 0.800 N 1.365 Z: 13 13.921 1.785 0.628 0.883 1.000 0.833 CA 1.000 13 residues pruned to eliminate duplicates Z: 22 19.611 2.090 0.286 0.814 0.905 0.667 CA 1.340 22 residues pruned to eliminate duplicates Z: 11 20.040 2.137 0.598 0.912 0.900 0.700 CA 1.460 11 residues pruned to eliminate duplicates Z: 13 21.487 1.961 0.709 0.905 1.000 0.833 CB 1.317 13 residues pruned to eliminate duplicates Z: 13 14.964 1.756 0.436 0.859 0.917 0.667 CA 1.376 13 residues pruned to eliminate duplicates Z: 11 17.200 1.760 0.497 0.889 1.000 0.900 CA 1.487 11 residues pruned to eliminate duplicates Z: 15 34.089 2.174 1.106 0.892 1.000 0.857 CB 1.430 15 residues pruned to eliminate duplicates Z: 13 12.578 1.859 0.751 0.509 0.833 0.667 CB 1.327 13 residues pruned to eliminate duplicates Z: 7 3.712 1.728 0.654 0.231 0.667 0.333 CA 1.089 Z: 38 23.036 2.049 0.689 0.441 0.784 0.541 CB 1.483 38 residues pruned to eliminate duplicates Z: 18 30.658 1.945 1.016 0.892 1.000 0.588 CB 1.363 18 residues pruned to eliminate duplicates Z: 17 22.060 2.038 0.740 0.771 0.812 0.562 CA 1.505 17 residues pruned to eliminate duplicates Z: 11 21.573 2.312 0.517 0.915 0.900 0.900 CA 1.527 11 residues pruned to eliminate duplicates Z: 21 15.052 1.952 0.778 0.420 0.800 0.400 CB 1.318 21 residues pruned to eliminate duplicates Z: 8 6.119 1.819 0.317 0.539 0.714 0.714 CB 1.300 8 residues pruned to eliminate duplicates Z: 45 50.724 2.331 0.821 0.715 0.932 0.705 CA 1.592 45 residues pruned to eliminate duplicates Z: 57 38.079 2.176 0.852 0.447 0.821 0.571 CB 1.623 57 residues pruned to eliminate duplicates Z: 14 27.415 2.203 0.601 0.939 1.000 1.000 CB 1.499 14 residues pruned to eliminate duplicates Z: 46 40.517 2.236 0.836 0.613 0.844 0.533 CB 1.565 46 residues pruned to eliminate duplicates Z: 10 4.945 1.498 0.466 0.260 0.778 0.444 O 1.270 Z: 6 2.969 1.439 0.154 0.652 0.800 0.600 O 0.867 6 residues pruned to eliminate duplicates Z: 32 33.620 2.189 0.719 0.666 0.903 0.742 CB 1.523 32 residues pruned to eliminate duplicates Z: 8 6.248 1.788 0.049 0.839 1.000 0.571 CB 0.940 8 residues pruned to eliminate duplicates Z: 8 14.085 2.067 0.599 0.867 0.857 0.429 CB 1.375 8 residues pruned to eliminate duplicates Z: 14 15.283 1.908 0.565 0.657 0.923 0.615 CB 1.329 14 residues pruned to eliminate duplicates Z: 14 8.619 1.718 0.665 0.296 0.923 0.385 CB 1.137 13 residues pruned to eliminate duplicates Z: 11 13.219 1.720 0.801 0.738 0.900 0.400 CA 1.211 10 residues pruned to eliminate duplicates Z: 8 9.435 1.701 0.389 0.721 0.857 0.429 CA 1.441 8 residues pruned to eliminate duplicates Z: 6 4.982 1.650 0.821 0.435 0.600 0.400 N 1.322 Z: 13 26.838 1.939 0.942 0.839 1.000 0.917 CA 1.536 13 residues pruned to eliminate duplicates Z: 12 23.897 1.973 0.796 0.919 1.000 0.727 CA 1.433 12 residues pruned to eliminate duplicates Z: 6 8.757 1.634 0.599 0.867 1.000 1.000 N 1.097 6 residues pruned to eliminate duplicates Z: 10 15.855 1.951 0.823 0.853 0.778 0.556 CB 1.412 10 residues pruned to eliminate duplicates Z: 12 25.463 2.002 0.917 0.906 1.000 0.727 CB 1.423 14 residues pruned to eliminate duplicates Z: 67 47.836 2.281 0.678 0.493 0.924 0.712 CB 1.675 67 residues pruned to eliminate duplicates Z: 17 17.630 1.941 0.538 0.816 0.938 0.875 CA 1.196 17 residues pruned to eliminate duplicates Z: 70 46.438 2.213 0.823 0.484 0.884 0.522 CB 1.592 70 residues pruned to eliminate duplicates Z: 9 7.849 1.581 0.285 0.843 1.000 0.500 CB 1.017 9 residues pruned to eliminate duplicates Z: 10 5.978 1.858 0.569 0.213 0.667 0.444 CB 1.438 10 residues pruned to eliminate duplicates 6 1.203 1.564 0.450 0.390 0.800 0.600 CB 0.333 ? Z: 21 27.027 2.205 0.543 0.656 0.950 0.650 CA 1.618 21 residues pruned to eliminate duplicates Z: 12 27.805 2.191 0.976 0.813 1.000 0.636 CB 1.474 12 residues pruned to eliminate duplicates Z: 8 2.697 1.718 -0.136 0.296 0.714 0.429 N 1.209 Z: 6 2.853 1.344 0.621 0.396 0.800 0.200 N 0.817 Z: 100 69.524 2.205 0.934 0.663 0.869 0.485 CA 1.622 100 residues pruned to eliminate duplicates Z: 17 18.362 1.866 0.442 0.816 1.000 0.625 CB 1.296 16 residues pruned to eliminate duplicates Z: 14 16.773 1.993 0.874 0.867 0.846 0.462 CB 1.077 14 residues pruned to eliminate duplicates Z: 12 12.101 1.903 0.261 0.857 1.000 0.727 CB 1.120 12 residues pruned to eliminate duplicates Z: 9 9.650 1.938 0.423 0.728 0.750 0.500 CB 1.343 9 residues pruned to eliminate duplicates Z: 9 6.133 1.741 0.263 0.310 1.000 0.750 CB 1.217 9 residues pruned to eliminate duplicates Z: 21 33.733 2.249 0.866 0.869 0.950 0.650 CA 1.382 21 residues pruned to eliminate duplicates Z: 33 16.507 1.871 0.543 0.416 0.875 0.500 CB 1.261 33 residues pruned to eliminate duplicates Z: 9 9.945 1.719 0.386 0.832 1.000 0.875 CB 1.108 9 residues pruned to eliminate duplicates Z: 27 19.267 1.828 0.421 0.712 0.962 0.731 CB 1.249 29 residues pruned to eliminate duplicates Z: 11 13.381 1.854 0.459 0.877 0.900 0.900 CA 1.263 11 residues pruned to eliminate duplicates Z: 17 18.368 1.966 0.734 0.811 0.812 0.438 CA 1.265 17 residues pruned to eliminate duplicates Z: 13 27.824 1.934 1.092 0.893 1.000 0.583 CB 1.424 13 residues pruned to eliminate duplicates Z: 15 26.040 2.066 1.125 0.810 0.786 0.500 CA 1.540 15 residues pruned to eliminate duplicates Z: 6 5.695 1.539 0.368 0.657 1.000 0.600 C 1.046 Z: 16 14.315 1.844 0.591 0.627 0.933 0.400 CB 1.198 16 residues pruned to eliminate duplicates Z: 9 3.849 1.605 0.522 0.465 0.750 0.500 CB 0.769 Z: 8 9.840 1.788 1.029 0.479 1.000 0.857 CB 1.047 8 residues pruned to eliminate duplicates Z: 6 5.856 1.825 0.439 0.457 1.000 0.600 CB 1.042 Z: 10 4.021 1.714 0.223 0.253 0.778 0.333 CB 1.091 Z: 13 19.860 2.075 0.910 0.803 0.917 0.750 CA 1.211 13 residues pruned to eliminate duplicates Z: 18 23.400 1.894 0.724 0.883 0.941 0.882 CA 1.335 18 residues pruned to eliminate duplicates Z: 7 7.408 1.731 0.327 0.772 0.833 0.500 CB 1.242 7 residues pruned to eliminate duplicates Z: 6 2.277 1.518 -0.137 0.846 1.000 0.800 CB 0.577 Z: 11 20.950 2.052 0.506 0.891 1.000 0.900 CA 1.541 11 residues pruned to eliminate duplicates Z: 13 4.622 1.751 0.179 0.264 0.833 0.417 CB 1.016 13 residues pruned to eliminate duplicates Z: 26 27.540 1.961 0.728 0.688 0.920 0.640 CA 1.487 26 residues pruned to eliminate duplicates Z: 19 26.362 1.937 0.768 0.860 0.944 0.889 CA 1.413 19 residues pruned to eliminate duplicates Z: 13 13.566 1.796 0.483 0.851 1.000 0.833 CA 1.088 13 residues pruned to eliminate duplicates Z: 23 28.529 2.140 0.782 0.796 0.818 0.545 CB 1.505 23 residues pruned to eliminate duplicates Z: 14 20.727 1.864 0.602 0.901 1.000 0.846 CB 1.374 13 residues pruned to eliminate duplicates Z: 11 14.657 1.940 0.429 0.902 1.000 0.900 CB 1.193 11 residues pruned to eliminate duplicates Z: 9 9.989 1.949 0.757 0.366 0.875 0.625 CA 1.362 10 residues pruned to eliminate duplicates Z: 9 4.818 1.521 0.395 0.516 0.750 0.625 CB 1.054 Z: 12 27.662 2.008 1.023 0.889 0.909 0.636 CB 1.626 12 residues pruned to eliminate duplicates Z: 17 7.707 1.794 0.411 0.413 0.688 0.438 CB 1.212 17 residues pruned to eliminate duplicates Z: 79 66.229 2.244 1.025 0.606 0.949 0.590 CB 1.573 79 residues pruned to eliminate duplicates Z: 97 77.281 2.236 0.899 0.707 0.948 0.656 CA 1.624 97 residues pruned to eliminate duplicates Z: 17 31.371 1.956 1.047 0.879 1.000 0.312 CB 1.421 17 residues pruned to eliminate duplicates Z: 97 74.054 2.285 0.996 0.691 0.885 0.562 CB 1.572 97 residues pruned to eliminate duplicates Z: 13 20.481 1.917 0.664 0.925 1.000 0.833 CB 1.301 19 residues pruned to eliminate duplicates Z: 14 19.228 2.181 0.599 0.565 0.923 0.615 CB 1.557 14 residues pruned to eliminate duplicates Z: 13 19.553 2.145 0.604 0.843 0.833 0.417 CB 1.466 13 residues pruned to eliminate duplicates Z: 8 2.363 1.401 0.064 0.316 0.857 0.571 N 0.857 Z: 34 16.381 1.814 0.499 0.530 0.879 0.606 CB 1.159 44 residues pruned to eliminate duplicates Z: 10 3.990 1.483 0.340 0.447 0.778 0.667 CB 0.909 10 residues pruned to eliminate duplicates Z: 12 27.017 1.981 1.125 0.907 1.000 0.455 CB 1.376 12 residues pruned to eliminate duplicates Z: 11 9.294 1.807 0.800 0.353 0.900 0.500 CA 1.177 11 residues pruned to eliminate duplicates Z: 12 15.189 1.846 0.449 0.818 0.909 0.818 CB 1.429 12 residues pruned to eliminate duplicates Z: 12 14.679 1.818 0.532 0.791 1.000 0.455 CB 1.231 12 residues pruned to eliminate duplicates Z: 8 3.946 1.631 0.154 0.467 0.857 0.429 CB 0.957 Z: 98 68.663 2.206 0.896 0.696 0.907 0.722 CA 1.536 81 residues pruned to eliminate duplicates Z: 33 31.393 2.155 0.989 0.558 0.844 0.562 CB 1.450 33 residues pruned to eliminate duplicates Z: 12 14.243 2.087 0.257 0.879 1.000 0.909 CB 1.187 12 residues pruned to eliminate duplicates Z: 28 10.409 1.748 0.230 0.443 0.815 0.444 CB 1.213 28 residues pruned to eliminate duplicates Z: 18 12.581 1.888 0.582 0.472 0.824 0.471 CB 1.276 18 residues pruned to eliminate duplicates Z: 10 3.645 1.620 0.116 0.334 0.778 0.556 CB 1.036 Z: 6 9.380 1.910 0.548 0.761 0.800 0.800 CA 1.407 Z: 7 2.936 1.477 0.249 0.536 1.000 0.667 CB 0.627 Z: 6 2.027 1.411 0.701 0.650 0.800 0.400 CB 0.410 Z: 11 15.081 1.931 0.422 0.906 1.000 0.900 CB 1.235 11 residues pruned to eliminate duplicates Z: 15 16.079 1.845 0.573 0.847 1.000 0.357 CB 1.099 15 residues pruned to eliminate duplicates Z: 24 25.307 2.261 0.608 0.595 0.957 0.609 CB 1.386 24 residues pruned to eliminate duplicates Z: 13 14.351 1.865 0.501 0.685 0.917 0.583 CA 1.363 13 residues pruned to eliminate duplicates Z: 7 5.560 1.591 0.590 0.289 1.000 0.500 CB 1.137 Z: 17 26.468 1.973 0.826 0.916 1.000 0.562 CA 1.298 17 residues pruned to eliminate duplicates Z: 14 18.531 1.740 0.834 0.891 1.000 0.846 CA 1.158 14 residues pruned to eliminate duplicates Z: 9 7.257 1.794 0.358 0.491 1.000 0.750 CB 1.063 Z: 81 61.301 2.142 0.829 0.676 0.950 0.625 CA 1.565 81 residues pruned to eliminate duplicates Z: 15 23.933 1.866 1.060 0.888 0.929 0.643 CB 1.291 15 residues pruned to eliminate duplicates Z: 17 18.978 1.964 0.789 0.560 0.938 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 10 10.547 1.799 0.442 0.845 0.778 0.667 CA 1.296 10 residues pruned to eliminate duplicates Z: 12 13.972 1.744 0.547 0.882 0.909 0.818 CA 1.243 12 residues pruned to eliminate duplicates Z: 46 31.792 1.896 0.786 0.605 0.889 0.533 CA 1.424 50 residues pruned to eliminate duplicates 6 1.418 1.403 0.464 0.294 0.600 0.400 CB 0.648 ? Z: 11 5.677 1.562 0.720 0.347 0.900 0.500 CB 0.877 Z: 15 16.378 2.095 0.791 0.495 0.857 0.500 CB 1.368 15 residues pruned to eliminate duplicates Z: 9 4.000 1.337 0.403 0.450 0.750 0.625 N 1.059 Z: 19 13.595 1.948 0.408 0.487 0.944 0.444 CB 1.253 19 residues pruned to eliminate duplicates Z: 6 2.846 1.544 0.886 0.309 0.600 0.600 N 0.901 Z: 129 81.614 2.240 0.908 0.650 0.930 0.688 CA 1.579 129 residues pruned to eliminate duplicates Z: 12 17.294 1.956 0.609 0.910 1.000 0.818 CA 1.175 12 residues pruned to eliminate duplicates Z: 23 22.792 2.173 0.698 0.468 0.818 0.591 CA 1.662 23 residues pruned to eliminate duplicates Z: 8 9.095 1.772 0.766 0.748 0.857 0.714 CA 1.027 Z: 17 17.475 1.783 0.447 0.887 1.000 0.812 CB 1.221 17 residues pruned to eliminate duplicates Z: 6 2.750 1.249 0.414 0.707 1.000 0.800 CB 0.577 Z: 13 16.449 1.628 0.679 0.888 1.000 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 6 3.897 1.597 0.497 0.446 0.600 0.400 CB 1.285 Z: 9 4.022 1.376 0.143 0.526 0.875 0.625 CA 1.008 9 residues pruned to eliminate duplicates Z: 13 17.821 1.783 0.690 0.885 1.000 0.667 CA 1.232 13 residues pruned to eliminate duplicates Z: 11 12.086 1.698 0.302 0.852 1.000 0.900 CA 1.279 11 residues pruned to eliminate duplicates Z: 9 8.982 1.758 0.258 0.841 1.000 0.750 CB 1.071 9 residues pruned to eliminate duplicates Z: 124 78.927 2.218 0.942 0.645 0.894 0.545 CA 1.614 124 residues pruned to eliminate duplicates Z: 12 27.159 2.063 0.851 0.933 1.000 0.818 CA 1.496 12 residues pruned to eliminate duplicates Z: 9 8.720 1.575 0.372 0.881 1.000 0.875 CB 1.033 7 residues pruned to eliminate duplicates Z: 28 13.857 1.723 0.437 0.537 0.889 0.704 CB 1.169 28 residues pruned to eliminate duplicates Z: 6 3.776 1.724 0.200 0.359 0.800 0.400 CB 1.188 Z: 18 16.455 1.843 0.623 0.701 0.882 0.471 CB 1.259 18 residues pruned to eliminate duplicates Z: 16 16.164 2.013 0.530 0.390 1.000 0.400 CA 1.522 16 residues pruned to eliminate duplicates Z: 25 35.053 2.269 0.751 0.662 0.917 0.750 CB 1.691 25 residues pruned to eliminate duplicates Z: 6 3.878 1.828 0.171 0.386 0.800 0.400 CB 1.143 Z: 8 3.614 1.605 -0.106 0.466 0.857 0.286 CB 1.151 Z: 19 23.779 1.887 0.751 0.813 0.944 0.611 CB 1.368 19 residues pruned to eliminate duplicates Z: 11 18.720 1.888 0.665 0.854 0.900 0.600 CA 1.545 11 residues pruned to eliminate duplicates Z: 18 26.513 1.963 0.990 0.857 0.941 0.588 CA 1.289 18 residues pruned to eliminate duplicates Z: 17 10.589 1.783 0.790 0.213 0.875 0.438 CB 1.330 17 residues pruned to eliminate duplicates Z: 10 15.269 1.898 0.969 0.895 1.000 0.333 CB 0.976 10 residues pruned to eliminate duplicates Z: 133 70.722 2.223 0.812 0.646 0.902 0.568 CB 1.479 133 residues pruned to eliminate duplicates Z: 19 15.093 1.885 0.720 0.532 0.833 0.389 CB 1.275 19 residues pruned to eliminate duplicates Z: 12 18.546 1.898 0.681 0.878 1.000 0.636 CA 1.271 12 residues pruned to eliminate duplicates Z: 159 91.679 2.270 0.956 0.626 0.873 0.608 CA 1.671 159 residues pruned to eliminate duplicates Z: 22 13.260 1.767 0.557 0.489 0.762 0.524 CB 1.395 22 residues pruned to eliminate duplicates Z: 8 2.937 1.577 0.264 0.197 0.714 0.286 N 1.119 Z: 107 76.919 2.229 1.026 0.667 0.877 0.585 CA 1.616 107 residues pruned to eliminate duplicates Z: 9 5.604 1.547 0.229 0.850 1.000 0.625 CB 0.772 9 residues pruned to eliminate duplicates Z: 13 15.905 1.886 0.415 0.872 1.000 0.667 CB 1.254 14 residues pruned to eliminate duplicates Z: 11 13.149 2.009 0.000 0.930 1.000 1.000 CA 1.448 11 residues pruned to eliminate duplicates Z: 17 15.856 1.857 0.486 0.877 0.938 0.688 CB 1.112 17 residues pruned to eliminate duplicates Z: 12 5.009 1.358 0.797 0.328 0.818 0.364 CB 0.914 Z: 35 35.376 2.237 0.796 0.663 0.882 0.765 CA 1.472 35 residues pruned to eliminate duplicates Z: 12 32.459 2.125 0.953 0.912 1.000 1.000 CB 1.671 12 residues pruned to eliminate duplicates Z: 23 17.330 1.935 0.659 0.448 0.864 0.409 CB 1.405 23 residues pruned to eliminate duplicates Z: 12 26.447 1.963 0.807 0.906 1.000 0.818 CB 1.599 12 residues pruned to eliminate duplicates Z: 97 71.187 2.206 0.909 0.689 0.906 0.615 CA 1.601 97 residues pruned to eliminate duplicates Z: 14 13.810 2.087 0.349 0.491 1.000 0.692 CB 1.373 14 residues pruned to eliminate duplicates Z: 22 32.413 2.171 0.741 0.853 0.905 0.429 CA 1.528 22 residues pruned to eliminate duplicates Z: 12 21.082 1.916 0.926 0.864 1.000 0.818 CB 1.263 12 residues pruned to eliminate duplicates Z: 24 21.683 2.123 0.777 0.499 0.783 0.435 CB 1.532 24 residues pruned to eliminate duplicates Z: 11 6.538 1.897 0.500 0.718 0.500 0.400 CB 1.193 11 residues pruned to eliminate duplicates Z: 39 40.778 2.218 0.884 0.635 0.895 0.632 CB 1.559 39 residues pruned to eliminate duplicates Z: 28 13.754 1.811 0.237 0.581 0.889 0.630 CB 1.229 28 residues pruned to eliminate duplicates 6 1.295 1.528 0.308 0.294 0.400 0.400 CB 0.913 ? Z: 7 3.459 1.582 0.391 0.364 0.833 0.333 CB 0.892 7 residues pruned to eliminate duplicates Z: 76 43.269 2.159 0.723 0.589 0.880 0.627 CB 1.401 76 residues pruned to eliminate duplicates Z: 12 9.933 1.744 0.200 0.898 0.818 0.818 CB 1.251 12 residues pruned to eliminate duplicates Z: 153 91.501 2.256 0.889 0.633 0.914 0.658 CA 1.681 153 residues pruned to eliminate duplicates Z: 16 10.704 1.616 0.521 0.524 0.867 0.533 CB 1.267 15 residues pruned to eliminate duplicates Z: 7 4.440 1.586 0.636 0.541 0.833 0.333 CA 0.805 7 residues pruned to eliminate duplicates Z: 7 2.031 1.461 0.019 0.302 0.833 0.500 CB 0.833 Z: 7 2.947 1.420 0.738 0.186 0.833 0.667 N 0.853 Z: 17 6.746 1.666 0.358 0.311 0.875 0.438 CB 1.051 26 residues pruned to eliminate duplicates Z: 22 11.943 1.733 0.538 0.367 0.905 0.571 CB 1.246 25 residues pruned to eliminate duplicates Z: 13 13.884 1.728 0.808 0.834 0.917 0.667 CA 1.049 13 residues pruned to eliminate duplicates Z: 29 17.857 1.850 0.630 0.632 0.893 0.500 CB 1.107 31 residues pruned to eliminate duplicates Z: 40 30.424 2.040 0.846 0.496 0.897 0.590 CB 1.446 40 residues pruned to eliminate duplicates Z: 25 15.406 2.005 0.294 0.434 0.917 0.750 CB 1.416 25 residues pruned to eliminate duplicates Z: 11 2.834 1.156 0.477 0.303 0.800 0.400 N 0.816 11 residues pruned to eliminate duplicates Z: 58 42.282 2.217 0.780 0.539 0.877 0.561 CB 1.556 58 residues pruned to eliminate duplicates Z: 17 20.123 2.130 0.987 0.519 0.812 0.688 CA 1.436 17 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 4.363 1.777 0.581 0.287 0.714 0.429 CB 1.043 Z: 7 4.327 1.595 0.795 0.423 0.833 0.167 CB 0.802 9 residues pruned to eliminate duplicates Z: 6 9.224 1.751 1.000 0.665 1.000 0.600 CA 1.011 6 residues pruned to eliminate duplicates Z: 38 44.437 2.245 0.983 0.667 0.919 0.595 CB 1.531 38 residues pruned to eliminate duplicates Z: 38 41.102 2.256 0.846 0.681 0.919 0.432 CB 1.494 38 residues pruned to eliminate duplicates Z: 48 37.055 2.110 0.886 0.629 0.872 0.532 CB 1.380 48 residues pruned to eliminate duplicates Z: 39 47.675 2.223 1.065 0.713 0.947 0.658 CB 1.466 39 residues pruned to eliminate duplicates Z: 108 69.257 2.274 0.836 0.669 0.907 0.664 CB 1.513 108 residues pruned to eliminate duplicates Z: 125 64.389 2.214 0.764 0.613 0.903 0.589 CB 1.473 125 residues pruned to eliminate duplicates Z: 38 38.774 2.228 0.702 0.661 0.919 0.568 CB 1.576 38 residues pruned to eliminate duplicates Z: 35 44.289 2.279 1.066 0.662 0.941 0.676 CB 1.475 35 residues pruned to eliminate duplicates Z: 97 74.984 2.283 0.786 0.710 0.958 0.635 CB 1.618 97 residues pruned to eliminate duplicates Z: 38 41.729 2.266 0.951 0.582 0.946 0.514 CA 1.516 38 residues pruned to eliminate duplicates Z: 120 67.644 2.213 0.791 0.644 0.933 0.622 CB 1.466 120 residues pruned to eliminate duplicates Z: 35 41.555 2.268 0.990 0.598 0.971 0.676 CB 1.481 35 residues pruned to eliminate duplicates Z: 137 75.760 2.234 0.854 0.641 0.926 0.662 CB 1.484 139 residues pruned to eliminate duplicates Z: 16 43.031 2.426 1.204 0.845 0.933 0.867 CA 1.656 16 residues pruned to eliminate duplicates Z: 33 51.029 2.338 1.033 0.691 1.000 0.562 CB 1.594 33 residues pruned to eliminate duplicates Z: 94 79.798 2.292 0.891 0.725 0.957 0.710 CB 1.628 94 residues pruned to eliminate duplicates Z: 133 79.719 2.244 0.862 0.663 0.924 0.636 CB 1.545 139 residues pruned to eliminate duplicates Z: 17 49.231 2.490 1.209 0.884 0.938 0.750 CB 1.725 17 residues pruned to eliminate duplicates Z: 26 47.623 2.414 1.130 0.683 0.960 0.560 CB 1.632 26 residues pruned to eliminate duplicates Z: 92 71.355 2.262 0.838 0.705 0.945 0.681 CB 1.580 92 residues pruned to eliminate duplicates Z: 36 46.209 2.240 1.170 0.681 0.943 0.686 CB 1.443 36 residues pruned to eliminate duplicates Z: 34 50.319 2.298 1.202 0.682 1.000 0.424 CB 1.465 34 residues pruned to eliminate duplicates Z: 92 75.261 2.286 0.835 0.729 0.956 0.615 CB 1.601 92 residues pruned to eliminate duplicates Z: 123 83.067 2.279 0.916 0.683 0.951 0.664 CB 1.531 123 residues pruned to eliminate duplicates Z: 35 50.622 2.288 1.271 0.667 0.941 0.441 CB 1.522 35 residues pruned to eliminate duplicates Z: 45 41.949 2.129 0.959 0.601 0.864 0.409 CB 1.594 45 residues pruned to eliminate duplicates Z: 37 45.140 2.258 1.048 0.662 0.917 0.444 CB 1.528 37 residues pruned to eliminate duplicates Z: 116 69.132 2.251 0.769 0.681 0.922 0.635 CB 1.486 116 residues pruned to eliminate duplicates Z: 116 76.064 2.261 0.849 0.682 0.939 0.565 CB 1.529 116 residues pruned to eliminate duplicates Z: 38 45.443 2.256 0.975 0.662 0.946 0.459 CB 1.526 38 residues pruned to eliminate duplicates Z: 39 44.906 2.245 1.236 0.624 0.921 0.395 CB 1.402 39 residues pruned to eliminate duplicates Z: 89 77.621 2.309 0.862 0.746 0.977 0.739 CB 1.581 89 residues pruned to eliminate duplicates Z: 39 41.258 2.240 1.141 0.610 0.868 0.553 CB 1.448 39 residues pruned to eliminate duplicates Z: 95 74.619 2.275 0.942 0.702 0.926 0.649 CB 1.566 95 residues pruned to eliminate duplicates Z: 79 62.213 2.260 0.964 0.645 0.872 0.628 CB 1.590 79 residues pruned to eliminate duplicates Z: 99 68.049 2.234 0.787 0.697 0.918 0.673 CB 1.566 99 residues pruned to eliminate duplicates Z: 94 71.229 2.286 0.901 0.688 0.914 0.591 CB 1.565 94 residues pruned to eliminate duplicates Z: 112 74.277 2.262 0.853 0.657 0.946 0.514 CB 1.537 112 residues pruned to eliminate duplicates Z: 54 56.635 2.330 0.692 0.749 0.962 0.755 CA 1.642 54 residues pruned to eliminate duplicates Z: 55 54.978 2.308 0.689 0.712 0.963 0.778 CA 1.644 55 residues pruned to eliminate duplicates Z: 57 56.461 2.273 0.839 0.718 0.929 0.750 CB 1.596 57 residues pruned to eliminate duplicates Z: 89 72.584 2.304 0.953 0.708 0.898 0.625 CB 1.586 89 residues pruned to eliminate duplicates Z: 97 66.679 2.248 0.852 0.672 0.885 0.552 CB 1.575 97 residues pruned to eliminate duplicates Z: 170 78.388 2.179 0.789 0.615 0.935 0.651 CB 1.483 163 residues pruned to eliminate duplicates Z: 14 23.819 2.264 0.554 0.894 1.000 0.769 CA 1.347 14 residues pruned to eliminate duplicates Z: 128 78.320 2.263 0.966 0.648 0.890 0.559 CB 1.529 128 residues pruned to eliminate duplicates Z: 115 77.889 2.286 0.978 0.677 0.904 0.632 CB 1.518 115 residues pruned to eliminate duplicates Z: 55 61.945 2.326 0.895 0.734 0.944 0.722 CB 1.641 55 residues pruned to eliminate duplicates Z: 130 81.037 2.256 0.976 0.658 0.922 0.589 CB 1.498 130 residues pruned to eliminate duplicates Z: 131 76.717 2.257 0.874 0.659 0.908 0.631 CB 1.512 131 residues pruned to eliminate duplicates Z: 54 67.240 2.322 1.028 0.736 0.943 0.755 CA 1.682 54 residues pruned to eliminate duplicates Z: 106 68.354 2.252 0.824 0.638 0.914 0.543 CB 1.561 106 residues pruned to eliminate duplicates Z: 92 79.738 2.294 0.951 0.710 0.945 0.615 CB 1.633 92 residues pruned to eliminate duplicates Z: 98 71.353 2.248 0.943 0.677 0.928 0.629 CB 1.518 98 residues pruned to eliminate duplicates Z: 35 40.992 2.284 0.794 0.695 0.912 0.765 CA 1.575 35 residues pruned to eliminate duplicates Z: 44 45.861 2.285 0.811 0.649 0.930 0.651 CA 1.582 44 residues pruned to eliminate duplicates Z: 168 74.908 2.186 0.816 0.589 0.922 0.575 CB 1.455 168 residues pruned to eliminate duplicates Z: 119 76.155 2.248 0.860 0.660 0.941 0.619 CB 1.537 119 residues pruned to eliminate duplicates Z: 43 45.235 2.300 0.829 0.686 0.905 0.738 CA 1.546 43 residues pruned to eliminate duplicates Z: 117 74.044 2.254 0.831 0.665 0.940 0.629 CB 1.522 117 residues pruned to eliminate duplicates Z: 122 72.904 2.262 0.871 0.623 0.934 0.595 CB 1.494 122 residues pruned to eliminate duplicates Z: 94 62.942 2.261 0.786 0.647 0.935 0.699 CB 1.507 94 residues pruned to eliminate duplicates Z: 76 75.644 2.304 1.070 0.696 0.947 0.587 CA 1.617 76 residues pruned to eliminate duplicates Z: 99 72.923 2.275 0.852 0.695 0.918 0.633 CB 1.594 99 residues pruned to eliminate duplicates Z: 113 72.724 2.263 0.902 0.678 0.929 0.607 CB 1.460 113 residues pruned to eliminate duplicates Z: 54 60.878 2.302 0.821 0.739 0.962 0.604 CB 1.672 54 residues pruned to eliminate duplicates Z: 52 60.732 2.314 0.912 0.769 0.941 0.686 CB 1.609 52 residues pruned to eliminate duplicates Z: 70 62.156 2.270 0.850 0.658 0.942 0.580 CB 1.633 70 residues pruned to eliminate duplicates Z: 55 59.418 2.299 0.812 0.735 0.944 0.611 CB 1.665 55 residues pruned to eliminate duplicates Z: 88 81.696 2.320 1.024 0.741 0.931 0.655 CB 1.616 88 residues pruned to eliminate duplicates Z: 54 58.934 2.314 0.803 0.748 0.943 0.623 CA 1.647 54 residues pruned to eliminate duplicates Z: 67 55.632 2.222 0.789 0.678 0.909 0.636 CB 1.608 67 residues pruned to eliminate duplicates Z: 56 55.196 2.277 0.815 0.694 0.945 0.673 CB 1.596 56 residues pruned to eliminate duplicates Z: 94 70.852 2.228 0.917 0.673 0.925 0.570 CB 1.585 94 residues pruned to eliminate duplicates Z: 60 63.860 2.277 0.801 0.768 0.966 0.712 CA 1.655 60 residues pruned to eliminate duplicates Z: 91 81.657 2.307 1.094 0.710 0.911 0.533 CB 1.616 91 residues pruned to eliminate duplicates Z: 56 53.961 2.284 0.772 0.698 0.909 0.655 CA 1.651 56 residues pruned to eliminate duplicates Z: 64 54.583 2.292 0.818 0.649 0.952 0.651 CB 1.508 64 residues pruned to eliminate duplicates Z: 113 71.782 2.257 0.843 0.634 0.929 0.598 CB 1.549 113 residues pruned to eliminate duplicates Z: 62 34.724 2.128 0.720 0.541 0.852 0.557 CB 1.369 62 residues pruned to eliminate duplicates Z: 55 56.633 2.291 0.702 0.749 0.963 0.759 CA 1.644 55 residues pruned to eliminate duplicates Z: 65 36.946 2.136 0.676 0.579 0.875 0.578 CB 1.366 65 residues pruned to eliminate duplicates Z: 95 76.558 2.221 1.020 0.710 0.957 0.553 CB 1.520 95 residues pruned to eliminate duplicates Z: 114 79.555 2.273 0.900 0.690 0.920 0.602 CB 1.583 114 residues pruned to eliminate duplicates Z: 14 22.165 2.077 0.879 0.750 1.000 0.769 CB 1.260 14 residues pruned to eliminate duplicates Z: 80 59.056 2.255 0.792 0.668 0.924 0.570 CB 1.523 80 residues pruned to eliminate duplicates Z: 9 11.923 1.979 0.869 0.714 0.875 0.500 CB 1.073 9 residues pruned to eliminate duplicates Z: 130 75.953 2.247 0.955 0.634 0.891 0.597 CB 1.506 130 residues pruned to eliminate duplicates Z: 102 67.806 2.226 0.842 0.686 0.901 0.515 CB 1.540 102 residues pruned to eliminate duplicates Z: 115 75.465 2.277 0.881 0.681 0.912 0.526 CB 1.531 115 residues pruned to eliminate duplicates Z: 79 61.183 2.288 0.791 0.699 0.897 0.705 CB 1.572 79 residues pruned to eliminate duplicates Z: 80 53.705 2.207 0.906 0.629 0.873 0.595 CB 1.456 80 residues pruned to eliminate duplicates Z: 133 73.830 2.226 0.950 0.619 0.909 0.500 CB 1.455 133 residues pruned to eliminate duplicates Z: 15 11.107 2.050 0.375 0.371 0.857 0.357 CB 1.411 15 residues pruned to eliminate duplicates Z: 29 20.947 2.063 0.643 0.523 0.929 0.536 CB 1.229 29 residues pruned to eliminate duplicates Z: 128 74.501 2.223 0.859 0.649 0.913 0.520 CB 1.524 128 residues pruned to eliminate duplicates Z: 94 60.059 2.238 0.790 0.620 0.914 0.570 CB 1.519 94 residues pruned to eliminate duplicates Z: 25 18.688 2.176 0.543 0.600 0.792 0.500 CB 1.304 25 residues pruned to eliminate duplicates Z: 35 22.161 2.079 0.753 0.471 0.824 0.471 CB 1.303 35 residues pruned to eliminate duplicates Z: 36 30.537 2.213 0.790 0.660 0.943 0.600 CB 1.191 36 residues pruned to eliminate duplicates Z: 18 17.403 2.214 0.783 0.556 0.765 0.588 CB 1.324 18 residues pruned to eliminate duplicates Z: 19 20.320 2.220 0.843 0.536 0.833 0.556 CB 1.355 19 residues pruned to eliminate duplicates Z: 18 18.628 2.210 0.786 0.539 0.882 0.412 CB 1.249 18 residues pruned to eliminate duplicates Z: 35 30.511 2.162 0.715 0.599 0.853 0.647 CB 1.506 35 residues pruned to eliminate duplicates Z: 25 27.776 2.222 0.837 0.605 0.917 0.500 CB 1.371 25 residues pruned to eliminate duplicates Z: 32 26.694 2.164 0.851 0.480 0.871 0.419 CB 1.402 32 residues pruned to eliminate duplicates Z: 77 32.862 2.028 0.685 0.466 0.842 0.526 CB 1.355 77 residues pruned to eliminate duplicates Z: 130 76.869 2.255 0.945 0.638 0.915 0.512 CB 1.482 130 residues pruned to eliminate duplicates Z: 32 27.372 2.158 0.911 0.536 0.839 0.484 CB 1.373 32 residues pruned to eliminate duplicates Z: 29 21.459 2.113 0.840 0.485 0.750 0.500 CB 1.412 29 residues pruned to eliminate duplicates Z: 60 27.319 2.032 0.706 0.470 0.847 0.458 CB 1.248 60 residues pruned to eliminate duplicates Z: 26 21.925 2.169 0.876 0.513 0.840 0.440 CB 1.267 26 residues pruned to eliminate duplicates Z: 72 33.699 2.064 0.775 0.529 0.817 0.493 CB 1.299 72 residues pruned to eliminate duplicates Z: 96 59.027 2.213 0.774 0.631 0.916 0.537 CB 1.489 96 residues pruned to eliminate duplicates Z: 18 14.859 1.934 0.770 0.466 0.824 0.471 CB 1.324 18 residues pruned to eliminate duplicates Z: 30 17.530 2.060 0.736 0.459 0.724 0.310 CB 1.311 30 residues pruned to eliminate duplicates Z: 104 58.072 2.174 0.819 0.629 0.913 0.495 CB 1.404 104 residues pruned to eliminate duplicates Z: 12 10.115 1.800 0.757 0.349 0.727 0.364 CA 1.561 12 residues pruned to eliminate duplicates Z: 16 15.852 2.042 0.669 0.441 0.867 0.667 CB 1.472 16 residues pruned to eliminate duplicates Z: 47 31.600 2.127 0.836 0.510 0.870 0.478 CB 1.358 47 residues pruned to eliminate duplicates Z: 33 20.585 2.181 0.728 0.459 0.750 0.500 CB 1.342 33 residues pruned to eliminate duplicates Z: 52 32.100 2.162 0.751 0.508 0.902 0.569 CB 1.306 52 residues pruned to eliminate duplicates Z: 21 13.400 1.946 0.522 0.354 0.850 0.300 CB 1.394 21 residues pruned to eliminate duplicates Z: 15 19.309 2.153 0.821 0.452 0.857 0.571 CB 1.613 15 residues pruned to eliminate duplicates Z: 17 14.092 2.104 0.664 0.444 0.812 0.562 CB 1.313 17 residues pruned to eliminate duplicates Z: 32 21.293 2.144 0.761 0.496 0.839 0.548 CB 1.213 32 residues pruned to eliminate duplicates Z: 52 21.592 1.933 0.609 0.441 0.824 0.510 CB 1.254 52 residues pruned to eliminate duplicates Z: 42 21.031 1.929 0.557 0.477 0.878 0.415 CB 1.275 42 residues pruned to eliminate duplicates Z: 38 26.258 2.139 0.911 0.438 0.865 0.541 CB 1.302 38 residues pruned to eliminate duplicates Z: 27 16.654 1.843 0.786 0.434 0.769 0.385 CB 1.382 27 residues pruned to eliminate duplicates Z: 48 29.121 2.079 0.816 0.523 0.851 0.574 CB 1.292 48 residues pruned to eliminate duplicates Z: 88 37.241 2.035 0.707 0.520 0.862 0.471 CB 1.307 88 residues pruned to eliminate duplicates Z: 52 26.059 1.908 0.743 0.494 0.922 0.588 CB 1.198 53 residues pruned to eliminate duplicates Z: 11 15.115 1.722 0.902 0.894 1.000 0.800 CA 1.047 11 residues pruned to eliminate duplicates Z: 13 12.931 1.916 0.576 0.684 0.833 0.667 CA 1.253 13 residues pruned to eliminate duplicates Z: 41 20.069 1.924 0.525 0.499 0.875 0.650 CB 1.237 41 residues pruned to eliminate duplicates Z: 40 22.136 1.926 0.620 0.501 0.872 0.410 CB 1.301 40 residues pruned to eliminate duplicates Z: 32 23.663 1.907 0.782 0.502 0.968 0.516 CB 1.290 32 residues pruned to eliminate duplicates Z: 64 32.000 1.909 0.715 0.535 0.921 0.603 CB 1.293 64 residues pruned to eliminate duplicates Z: 28 19.157 1.957 0.671 0.474 0.889 0.593 CB 1.302 28 residues pruned to eliminate duplicates Z: 42 22.028 1.912 0.658 0.499 0.854 0.439 CB 1.272 42 residues pruned to eliminate duplicates Z: 50 16.806 1.828 0.522 0.428 0.796 0.429 CB 1.169 50 residues pruned to eliminate duplicates Z: 49 28.736 1.879 0.728 0.534 0.958 0.562 CB 1.290 49 residues pruned to eliminate duplicates Z: 27 16.786 1.983 0.570 0.414 0.885 0.308 CB 1.309 27 residues pruned to eliminate duplicates Z: 11 11.519 1.924 0.583 0.398 0.900 0.600 CB 1.479 11 residues pruned to eliminate duplicates Z: 44 21.971 1.852 0.666 0.509 0.884 0.488 CB 1.218 44 residues pruned to eliminate duplicates Z: 42 23.296 1.904 0.658 0.514 0.902 0.610 CB 1.260 42 residues pruned to eliminate duplicates Z: 67 23.568 1.859 0.667 0.489 0.788 0.515 CB 1.200 67 residues pruned to eliminate duplicates Z: 65 31.798 1.917 0.706 0.528 0.938 0.594 CB 1.261 65 residues pruned to eliminate duplicates Z: 19 9.725 1.849 0.453 0.339 0.833 0.611 CB 1.219 19 residues pruned to eliminate duplicates Z: 28 16.233 1.948 0.505 0.423 0.852 0.556 CB 1.355 28 residues pruned to eliminate duplicates Z: 27 16.154 1.999 0.390 0.440 0.923 0.500 CB 1.314 27 residues pruned to eliminate duplicates Z: 42 23.781 1.926 0.739 0.481 0.878 0.439 CB 1.288 42 residues pruned to eliminate duplicates Z: 40 19.372 1.955 0.524 0.483 0.846 0.462 CB 1.252 40 residues pruned to eliminate duplicates Z: 32 17.451 1.901 0.501 0.397 0.968 0.452 CB 1.265 32 residues pruned to eliminate duplicates Z: 16 13.856 2.027 0.455 0.573 0.867 0.467 CB 1.304 16 residues pruned to eliminate duplicates Z: 33 15.275 1.858 0.435 0.369 0.906 0.594 CB 1.286 33 residues pruned to eliminate duplicates Z: 15 14.578 2.053 0.583 0.633 0.857 0.429 CB 1.235 15 residues pruned to eliminate duplicates Z: 50 27.024 1.924 0.718 0.501 0.939 0.551 CB 1.243 50 residues pruned to eliminate duplicates Z: 15 14.703 2.047 0.317 0.608 1.000 0.714 CB 1.315 15 residues pruned to eliminate duplicates Z: 19 15.910 1.874 0.651 0.518 0.944 0.611 CB 1.260 19 residues pruned to eliminate duplicates Z: 67 32.356 1.875 0.718 0.528 0.955 0.591 CB 1.260 67 residues pruned to eliminate duplicates Z: 15 18.078 2.046 0.573 0.603 0.929 0.571 CB 1.466 15 residues pruned to eliminate duplicates Z: 31 16.944 1.857 0.592 0.368 0.900 0.533 CB 1.338 31 residues pruned to eliminate duplicates Z: 25 17.159 1.964 0.633 0.409 0.875 0.583 CB 1.373 25 residues pruned to eliminate duplicates Z: 10 7.514 1.923 0.335 0.450 0.889 0.778 CB 1.155 10 residues pruned to eliminate duplicates Z: 7 6.691 2.020 0.058 0.511 1.000 0.833 CB 1.264 Z: 7 4.930 1.458 0.724 0.623 0.667 0.500 N 1.070 7 residues pruned to eliminate duplicates Z: 35 20.381 1.847 0.473 0.567 0.882 0.618 CB 1.365 33 residues pruned to eliminate duplicates Z: 21 19.314 1.773 0.504 0.747 0.950 0.450 CB 1.367 21 residues pruned to eliminate duplicates Z: 31 17.234 1.883 0.437 0.544 0.900 0.600 CB 1.237 31 residues pruned to eliminate duplicates Z: 35 18.333 1.911 0.392 0.587 0.882 0.647 CB 1.233 50 residues pruned to eliminate duplicates Z: 34 19.693 1.847 0.455 0.593 0.909 0.545 CB 1.283 31 residues pruned to eliminate duplicates Z: 18 15.855 1.757 0.295 0.781 1.000 0.647 CB 1.320 18 residues pruned to eliminate duplicates Z: 21 17.704 1.877 0.380 0.744 0.950 0.600 CB 1.294 21 residues pruned to eliminate duplicates Z: 29 17.517 1.773 0.547 0.593 0.929 0.464 CB 1.190 29 residues pruned to eliminate duplicates Z: 31 18.604 1.838 0.536 0.563 0.867 0.533 CB 1.307 31 residues pruned to eliminate duplicates Z: 27 21.485 1.916 0.638 0.637 0.923 0.577 CB 1.279 29 residues pruned to eliminate duplicates Z: 18 16.397 1.858 0.411 0.835 0.941 0.765 CB 1.207 18 residues pruned to eliminate duplicates Z: 27 17.507 1.868 0.567 0.625 0.923 0.615 CB 1.130 27 residues pruned to eliminate duplicates Z: 30 19.299 1.858 0.510 0.629 0.862 0.621 CB 1.313 28 residues pruned to eliminate duplicates Z: 17 19.216 1.901 0.683 0.850 0.812 0.625 CB 1.369 17 residues pruned to eliminate duplicates Z: 28 24.685 1.898 0.696 0.660 0.963 0.556 CB 1.321 30 residues pruned to eliminate duplicates Z: 19 18.194 1.807 0.497 0.808 0.944 0.722 CB 1.283 19 residues pruned to eliminate duplicates Z: 27 20.273 1.893 0.728 0.631 0.923 0.654 CB 1.164 27 residues pruned to eliminate duplicates Z: 28 20.249 1.844 0.590 0.612 0.963 0.556 CB 1.241 28 residues pruned to eliminate duplicates Z: 31 23.686 1.889 0.593 0.644 0.933 0.633 CB 1.347 31 residues pruned to eliminate duplicates Z: 19 17.188 1.938 0.676 0.717 0.833 0.556 CB 1.230 19 residues pruned to eliminate duplicates Z: 31 21.476 1.857 0.647 0.613 0.900 0.533 CB 1.279 31 residues pruned to eliminate duplicates Z: 18 6.760 1.666 0.576 0.389 0.647 0.353 CB 1.086 18 residues pruned to eliminate duplicates Z: 14 12.672 1.872 0.570 0.707 0.846 0.538 CB 1.171 14 residues pruned to eliminate duplicates Z: 12 12.812 1.897 0.610 0.775 0.818 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 15 7.980 1.856 0.594 0.584 0.643 0.500 CB 1.035 15 residues pruned to eliminate duplicates Z: 15 12.791 1.884 0.365 0.612 0.857 0.643 CB 1.394 15 residues pruned to eliminate duplicates Z: 18 10.865 1.838 0.429 0.536 0.765 0.706 CB 1.267 18 residues pruned to eliminate duplicates Z: 17 11.894 1.861 0.409 0.606 0.812 0.625 CB 1.262 17 residues pruned to eliminate duplicates Z: 15 13.414 1.826 0.738 0.596 0.786 0.643 CB 1.311 13 residues pruned to eliminate duplicates Z: 11 17.699 1.938 0.753 0.847 0.900 0.600 CB 1.358 11 residues pruned to eliminate duplicates Z: 15 12.540 1.850 0.518 0.612 0.857 0.714 CB 1.252 15 residues pruned to eliminate duplicates Z: 59 27.289 1.876 0.606 0.482 0.914 0.552 CB 1.326 59 residues pruned to eliminate duplicates Z: 37 21.945 1.865 0.584 0.546 0.944 0.583 CA 1.253 37 residues pruned to eliminate duplicates Z: 10 7.860 1.839 0.592 0.348 0.778 0.667 CB 1.357 10 residues pruned to eliminate duplicates Z: 26 14.017 1.839 0.553 0.496 0.880 0.600 CB 1.120 26 residues pruned to eliminate duplicates Z: 38 20.442 1.863 0.739 0.522 0.838 0.568 CB 1.212 38 residues pruned to eliminate duplicates Z: 81 29.386 1.883 0.537 0.487 0.913 0.625 CB 1.260 81 residues pruned to eliminate duplicates Z: 27 14.470 1.782 0.543 0.468 0.885 0.615 CA 1.205 27 residues pruned to eliminate duplicates Z: 12 14.996 1.784 0.463 0.902 1.000 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 21 11.139 1.778 0.500 0.582 0.800 0.550 CB 1.079 21 residues pruned to eliminate duplicates Z: 15 13.407 1.923 0.497 0.670 0.857 0.714 CB 1.241 15 residues pruned to eliminate duplicates Z: 20 13.464 1.852 0.608 0.617 0.842 0.632 CB 1.103 20 residues pruned to eliminate duplicates Z: 53 27.782 1.957 0.676 0.576 0.904 0.577 CB 1.208 53 residues pruned to eliminate duplicates Z: 12 11.412 1.754 0.873 0.749 0.909 0.636 CB 0.922 12 residues pruned to eliminate duplicates Z: 53 29.490 1.957 0.765 0.570 0.885 0.519 CB 1.251 53 residues pruned to eliminate duplicates Z: 22 19.261 1.936 0.718 0.628 0.952 0.714 CB 1.176 22 residues pruned to eliminate duplicates Z: 49 23.134 1.929 0.599 0.543 0.854 0.521 CB 1.215 49 residues pruned to eliminate duplicates Z: 37 24.923 1.962 0.670 0.635 0.889 0.556 CB 1.256 37 residues pruned to eliminate duplicates Z: 34 26.932 1.927 0.787 0.698 0.939 0.636 CB 1.209 34 residues pruned to eliminate duplicates Z: 23 21.947 1.933 0.768 0.709 0.955 0.636 CB 1.186 23 residues pruned to eliminate duplicates Z: 17 15.441 1.823 0.692 0.684 0.875 0.625 CB 1.208 17 residues pruned to eliminate duplicates Z: 21 20.770 1.921 0.744 0.687 0.950 0.500 CB 1.229 21 residues pruned to eliminate duplicates Z: 20 14.555 1.863 0.623 0.514 0.842 0.474 CB 1.293 20 residues pruned to eliminate duplicates Z: 17 18.521 1.877 0.993 0.749 0.812 0.500 CA 1.220 17 residues pruned to eliminate duplicates Z: 39 22.741 1.967 0.593 0.524 0.868 0.553 CB 1.323 39 residues pruned to eliminate duplicates Z: 41 24.962 1.955 0.467 0.589 0.950 0.550 CB 1.329 41 residues pruned to eliminate duplicates Z: 32 15.335 1.946 0.404 0.485 0.839 0.516 CB 1.220 32 residues pruned to eliminate duplicates Z: 21 19.119 1.976 0.693 0.634 0.900 0.550 CB 1.252 21 residues pruned to eliminate duplicates Z: 33 23.386 1.961 0.518 0.674 0.906 0.625 CB 1.305 34 residues pruned to eliminate duplicates Z: 15 15.067 1.857 0.519 0.748 0.857 0.643 CB 1.334 15 residues pruned to eliminate duplicates Z: 39 24.504 1.963 0.703 0.641 0.842 0.526 CB 1.238 39 residues pruned to eliminate duplicates Z: 21 16.812 1.962 0.598 0.596 0.950 0.450 CB 1.152 21 residues pruned to eliminate duplicates Z: 29 24.323 2.036 0.864 0.559 0.857 0.643 CB 1.334 29 residues pruned to eliminate duplicates Z: 31 24.359 1.991 0.870 0.563 0.867 0.600 CB 1.296 31 residues pruned to eliminate duplicates Z: 28 18.435 2.008 0.651 0.537 0.815 0.556 CB 1.266 28 residues pruned to eliminate duplicates Z: 20 18.792 2.001 0.625 0.584 0.895 0.263 CB 1.367 20 residues pruned to eliminate duplicates Z: 33 18.979 1.967 0.675 0.518 0.844 0.500 CB 1.185 33 residues pruned to eliminate duplicates Z: 34 22.815 1.877 0.793 0.692 0.970 0.667 CB 1.021 34 residues pruned to eliminate duplicates Z: 29 22.846 2.015 0.827 0.563 0.893 0.536 CB 1.236 29 residues pruned to eliminate duplicates Z: 73 37.935 2.061 0.691 0.519 0.819 0.542 CB 1.536 73 residues pruned to eliminate duplicates Z: 24 16.985 1.945 0.990 0.428 0.870 0.478 CB 1.134 24 residues pruned to eliminate duplicates Z: 29 24.004 2.040 0.720 0.594 0.893 0.679 CB 1.324 29 residues pruned to eliminate duplicates Z: 27 24.684 2.044 0.787 0.548 0.923 0.500 CB 1.370 27 residues pruned to eliminate duplicates Z: 65 37.685 2.094 0.716 0.507 0.875 0.547 CB 1.487 65 residues pruned to eliminate duplicates Z: 16 14.607 1.961 0.566 0.437 0.933 0.533 CB 1.404 16 residues pruned to eliminate duplicates Z: 30 28.683 2.029 0.903 0.604 0.931 0.586 CB 1.342 30 residues pruned to eliminate duplicates Z: 27 24.102 2.014 0.983 0.542 0.885 0.577 CB 1.285 27 residues pruned to eliminate duplicates Z: 29 27.962 2.032 0.853 0.585 0.929 0.607 CB 1.393 29 residues pruned to eliminate duplicates Z: 51 28.074 1.916 0.805 0.558 0.880 0.540 CB 1.233 51 residues pruned to eliminate duplicates Z: 26 20.012 2.024 0.563 0.554 0.840 0.440 CB 1.428 26 residues pruned to eliminate duplicates Z: 20 18.114 1.997 0.667 0.463 0.895 0.421 CB 1.449 20 residues pruned to eliminate duplicates Z: 20 18.468 1.984 0.732 0.484 0.842 0.579 CB 1.488 20 residues pruned to eliminate duplicates Z: 53 36.525 2.119 0.720 0.539 0.942 0.481 CB 1.420 53 residues pruned to eliminate duplicates Z: 23 15.297 2.005 0.604 0.483 0.818 0.545 CB 1.261 23 residues pruned to eliminate duplicates Z: 52 30.371 1.951 0.799 0.573 0.902 0.569 CB 1.252 51 residues pruned to eliminate duplicates Z: 15 28.618 2.309 0.932 0.682 1.000 0.714 CB 1.450 15 residues pruned to eliminate duplicates Z: 51 37.622 2.152 0.793 0.535 0.880 0.560 CB 1.514 51 residues pruned to eliminate duplicates Z: 23 34.833 2.305 0.947 0.596 0.909 0.727 CB 1.660 23 residues pruned to eliminate duplicates Z: 48 37.428 2.166 0.600 0.543 0.979 0.660 CB 1.542 48 residues pruned to eliminate duplicates Z: 14 23.986 2.368 0.845 0.623 0.769 0.692 CB 1.763 14 residues pruned to eliminate duplicates Z: 50 34.756 2.128 0.565 0.507 0.959 0.673 CB 1.544 50 residues pruned to eliminate duplicates Z: 48 39.571 2.151 0.660 0.557 0.979 0.596 CB 1.562 48 residues pruned to eliminate duplicates Z: 36 27.856 2.105 0.767 0.415 0.914 0.543 CB 1.512 36 residues pruned to eliminate duplicates Z: 52 38.287 2.171 0.718 0.539 0.863 0.647 CB 1.603 52 residues pruned to eliminate duplicates Z: 23 27.774 2.294 0.811 0.588 0.773 0.591 CB 1.696 23 residues pruned to eliminate duplicates Z: 66 36.924 2.105 0.606 0.483 0.908 0.538 CB 1.517 66 residues pruned to eliminate duplicates Z: 23 25.424 2.293 0.796 0.459 0.864 0.545 CB 1.589 23 residues pruned to eliminate duplicates Z: 27 31.073 2.253 0.708 0.528 0.923 0.654 CA 1.669 27 residues pruned to eliminate duplicates Z: 44 43.363 2.209 0.774 0.587 0.953 0.744 CB 1.628 44 residues pruned to eliminate duplicates Z: 49 36.880 2.141 0.632 0.509 0.958 0.604 CB 1.576 49 residues pruned to eliminate duplicates Z: 58 35.041 2.108 0.544 0.511 0.947 0.632 CB 1.489 58 residues pruned to eliminate duplicates Z: 55 38.834 2.108 0.655 0.511 1.000 0.667 CB 1.498 55 residues pruned to eliminate duplicates Z: 48 37.387 2.145 0.657 0.547 0.957 0.638 CB 1.530 48 residues pruned to eliminate duplicates Z: 46 41.566 2.205 0.703 0.577 0.956 0.644 CB 1.603 46 residues pruned to eliminate duplicates Z: 43 36.010 2.194 0.804 0.471 0.905 0.571 CB 1.597 43 residues pruned to eliminate duplicates Z: 24 35.410 2.344 0.865 0.579 0.913 0.739 CA 1.714 24 residues pruned to eliminate duplicates Z: 76 49.190 2.135 0.753 0.539 0.920 0.653 CB 1.588 93 residues pruned to eliminate duplicates Z: 6 3.418 1.513 0.524 0.216 1.000 0.400 CA 0.926 6 residues pruned to eliminate duplicates Z: 46 43.459 2.205 0.906 0.585 0.911 0.622 CB 1.560 46 residues pruned to eliminate duplicates Z: 47 41.579 2.175 0.812 0.553 0.957 0.609 CB 1.544 47 residues pruned to eliminate duplicates Z: 83 39.402 2.079 0.704 0.497 0.841 0.524 CB 1.463 83 residues pruned to eliminate duplicates Z: 86 41.259 2.074 0.712 0.503 0.894 0.541 CB 1.406 86 residues pruned to eliminate duplicates Z: 26 20.135 1.979 0.603 0.538 0.920 0.440 CB 1.329 26 residues pruned to eliminate duplicates Z: 50 36.703 2.134 0.772 0.487 0.918 0.490 CB 1.530 50 residues pruned to eliminate duplicates Z: 62 30.375 2.020 0.592 0.471 0.918 0.525 CB 1.356 62 residues pruned to eliminate duplicates Z: 35 48.892 2.241 1.062 0.647 0.941 0.559 CA 1.681 35 residues pruned to eliminate duplicates Z: 76 47.682 2.132 0.713 0.534 0.933 0.560 CB 1.563 76 residues pruned to eliminate duplicates Z: 14 20.899 2.040 0.617 0.711 0.923 0.846 CB 1.572 14 residues pruned to eliminate duplicates Z: 47 42.733 2.180 0.818 0.550 0.957 0.565 CB 1.583 47 residues pruned to eliminate duplicates Z: 29 22.638 2.039 0.633 0.504 0.964 0.536 CB 1.327 29 residues pruned to eliminate duplicates Z: 53 36.113 2.095 0.711 0.494 0.942 0.615 CB 1.491 53 residues pruned to eliminate duplicates Z: 95 41.614 2.030 0.783 0.519 0.872 0.564 CB 1.334 95 residues pruned to eliminate duplicates Z: 46 40.605 2.204 0.727 0.553 0.956 0.622 CB 1.582 46 residues pruned to eliminate duplicates Z: 12 9.759 1.913 0.474 0.328 0.818 0.545 CB 1.540 11 residues pruned to eliminate duplicates Z: 6 5.672 1.767 0.251 0.368 1.000 0.600 CA 1.322 6 residues pruned to eliminate duplicates Z: 106 41.202 2.016 0.700 0.496 0.905 0.495 CB 1.303 106 residues pruned to eliminate duplicates Z: 17 8.110 1.847 0.309 0.321 0.875 0.625 CB 1.168 10 residues pruned to eliminate duplicates Z: 7 3.900 1.617 0.598 0.489 0.833 0.333 CB 0.748 7 residues pruned to eliminate duplicates Z: 17 5.848 1.770 0.267 0.282 0.812 0.500 CB 1.027 17 residues pruned to eliminate duplicates Z: 8 3.511 1.542 0.632 0.424 0.714 0.429 CB 0.799 6 residues pruned to eliminate duplicates Z: 7 2.757 1.416 0.683 0.308 0.667 0.333 CA 0.876 7 residues pruned to eliminate duplicates Z: 60 35.958 2.078 0.711 0.515 0.898 0.610 CB 1.444 60 residues pruned to eliminate duplicates Z: 27 11.996 1.811 0.417 0.462 0.885 0.385 CB 1.076 20 residues pruned to eliminate duplicates Z: 10 8.215 1.643 0.506 0.722 0.889 0.556 CB 1.019 8 residues pruned to eliminate duplicates Z: 9 8.653 1.756 0.254 0.832 1.000 1.000 CB 1.043 9 residues pruned to eliminate duplicates Z: 26 12.463 1.752 0.495 0.440 0.920 0.720 CB 1.101 26 residues pruned to eliminate duplicates Z: 26 11.981 1.752 0.429 0.428 0.960 0.840 CB 1.075 26 residues pruned to eliminate duplicates Z: 48 20.791 1.890 0.481 0.485 0.957 0.596 CB 1.149 48 residues pruned to eliminate duplicates Z: 67 36.641 2.057 0.761 0.486 0.909 0.545 CA 1.390 64 residues pruned to eliminate duplicates Z: 14 33.283 2.497 1.195 0.682 0.923 0.615 CA 1.543 14 residues pruned to eliminate duplicates Z: 30 23.418 2.182 0.587 0.450 0.897 0.517 CA 1.474 30 residues pruned to eliminate duplicates Z: 27 27.266 2.330 0.728 0.467 0.846 0.500 CB 1.623 27 residues pruned to eliminate duplicates Z: 24 32.216 2.359 0.843 0.540 0.913 0.609 CA 1.627 24 residues pruned to eliminate duplicates Z: 23 37.148 2.426 0.819 0.572 1.000 0.545 CA 1.675 23 residues pruned to eliminate duplicates Z: 26 21.231 2.190 0.539 0.416 0.880 0.360 CB 1.562 26 residues pruned to eliminate duplicates Z: 23 25.414 2.389 0.543 0.530 0.864 0.636 CB 1.652 23 residues pruned to eliminate duplicates Z: 64 38.736 2.053 0.676 0.525 0.952 0.571 CA 1.453 64 residues pruned to eliminate duplicates Z: 14 28.700 2.349 0.768 0.815 1.000 0.769 CA 1.457 14 residues pruned to eliminate duplicates Z: 29 26.339 2.233 0.671 0.460 0.929 0.607 CA 1.496 29 residues pruned to eliminate duplicates Z: 50 35.326 2.176 0.663 0.552 0.918 0.714 CA 1.444 50 residues pruned to eliminate duplicates Z: 27 20.386 2.245 0.544 0.482 0.769 0.538 CA 1.527 27 residues pruned to eliminate duplicates Z: 52 29.750 2.132 0.605 0.480 0.922 0.667 CA 1.349 52 residues pruned to eliminate duplicates Z: 20 18.854 2.298 0.639 0.462 0.842 0.737 CA 1.418 20 residues pruned to eliminate duplicates Z: 22 20.652 2.399 0.587 0.475 0.762 0.619 CA 1.594 22 residues pruned to eliminate duplicates Z: 75 50.167 2.270 0.856 0.546 0.865 0.514 CB 1.530 75 residues pruned to eliminate duplicates Z: 61 36.876 2.270 0.690 0.466 0.833 0.433 CB 1.541 61 residues pruned to eliminate duplicates Z: 23 34.501 2.408 0.905 0.563 0.955 0.727 CA 1.581 23 residues pruned to eliminate duplicates Z: 153 88.475 2.278 0.933 0.618 0.908 0.651 CB 1.604 104 residues pruned to eliminate duplicates Z: 9 12.748 1.948 1.029 0.427 1.000 0.625 CA 1.230 9 residues pruned to eliminate duplicates Z: 28 21.051 2.254 0.628 0.472 0.815 0.630 CA 1.395 28 residues pruned to eliminate duplicates Z: 28 24.843 2.309 0.668 0.482 0.889 0.556 CA 1.422 28 residues pruned to eliminate duplicates Z: 141 68.304 2.241 0.748 0.587 0.886 0.607 CA 1.531 141 residues pruned to eliminate duplicates Z: 66 53.486 2.247 0.871 0.644 0.892 0.600 CA 1.546 60 residues pruned to eliminate duplicates Z: 6 2.567 1.438 0.907 0.257 0.800 0.400 CB 0.692 Z: 6 2.099 1.610 0.539 0.268 0.600 0.200 CB 0.822 7 residues pruned to eliminate duplicates Z: 8 6.491 1.730 0.090 0.581 1.000 0.714 CA 1.204 8 residues pruned to eliminate duplicates Z: 25 34.381 2.211 0.778 0.643 0.917 0.625 CB 1.704 35 residues pruned to eliminate duplicates Z: 20 33.388 2.164 0.798 0.776 1.000 0.526 CA 1.543 20 residues pruned to eliminate duplicates Z: 97 66.952 2.219 0.762 0.708 0.906 0.719 CA 1.597 97 residues pruned to eliminate duplicates Z: 135 76.162 2.260 0.766 0.620 0.910 0.567 CA 1.617 135 residues pruned to eliminate duplicates Z: 134 75.073 2.250 0.768 0.626 0.917 0.647 CB 1.584 134 residues pruned to eliminate duplicates Z: 100 72.519 2.257 0.774 0.685 0.949 0.717 CB 1.619 100 residues pruned to eliminate duplicates Z: 129 76.773 2.260 0.763 0.652 0.930 0.648 CA 1.591 129 residues pruned to eliminate duplicates Z: 135 83.542 2.270 0.899 0.634 0.910 0.642 CB 1.621 135 residues pruned to eliminate duplicates Z: 55 45.184 2.213 0.764 0.653 0.907 0.648 CB 1.505 55 residues pruned to eliminate duplicates Z: 26 38.616 2.265 0.892 0.674 0.920 0.560 CB 1.669 26 residues pruned to eliminate duplicates Z: 93 70.243 2.272 0.902 0.682 0.913 0.685 CA 1.571 93 residues pruned to eliminate duplicates Z: 34 38.687 2.199 0.939 0.616 0.909 0.545 CB 1.556 34 residues pruned to eliminate duplicates Z: 93 74.748 2.266 0.955 0.694 0.913 0.652 CA 1.614 88 residues pruned to eliminate duplicates Z: 19 39.418 2.178 0.964 0.887 0.944 0.778 CA 1.658 19 residues pruned to eliminate duplicates Z: 129 78.179 2.236 0.763 0.664 0.922 0.656 CA 1.633 131 residues pruned to eliminate duplicates Z: 20 35.769 2.058 0.960 0.849 1.000 0.316 CB 1.509 20 residues pruned to eliminate duplicates Z: 26 39.429 2.239 0.903 0.669 0.960 0.560 CB 1.649 26 residues pruned to eliminate duplicates Z: 131 67.564 2.210 0.791 0.593 0.892 0.615 CA 1.535 131 residues pruned to eliminate duplicates Z: 135 81.134 2.258 0.895 0.626 0.910 0.597 CA 1.598 135 residues pruned to eliminate duplicates Z: 135 79.827 2.268 0.792 0.635 0.925 0.604 CB 1.616 135 residues pruned to eliminate duplicates Z: 127 75.751 2.265 0.771 0.659 0.905 0.651 CA 1.605 127 residues pruned to eliminate duplicates Z: 112 79.886 2.277 0.805 0.707 0.937 0.658 CB 1.631 112 residues pruned to eliminate duplicates Z: 121 74.887 2.239 0.838 0.661 0.883 0.583 CB 1.619 121 residues pruned to eliminate duplicates Z: 68 53.559 2.168 0.886 0.653 0.925 0.612 CA 1.500 68 residues pruned to eliminate duplicates Z: 56 46.665 2.196 0.774 0.666 0.909 0.636 CB 1.524 56 residues pruned to eliminate duplicates Z: 97 58.148 2.197 0.750 0.615 0.906 0.604 CB 1.527 64 residues pruned to eliminate duplicates Z: 13 22.115 1.922 0.862 0.918 1.000 0.833 CA 1.258 13 residues pruned to eliminate duplicates Z: 130 81.174 2.273 0.923 0.646 0.884 0.581 CA 1.614 130 residues pruned to eliminate duplicates Z: 113 76.715 2.254 0.893 0.648 0.946 0.652 CB 1.565 113 residues pruned to eliminate duplicates Z: 131 87.563 2.252 0.939 0.653 0.931 0.569 CB 1.639 131 residues pruned to eliminate duplicates Z: 132 76.816 2.249 0.805 0.644 0.893 0.634 CB 1.618 132 residues pruned to eliminate duplicates Z: 81 58.224 2.208 0.756 0.691 0.925 0.613 CA 1.525 81 residues pruned to eliminate duplicates Z: 154 82.929 2.259 0.829 0.608 0.928 0.614 CB 1.578 69 residues pruned to eliminate duplicates Z: 26 41.903 2.135 1.088 0.826 0.960 0.600 CA 1.476 26 residues pruned to eliminate duplicates Z: 129 84.915 2.264 0.953 0.649 0.906 0.641 CA 1.631 129 residues pruned to eliminate duplicates Z: 64 60.520 2.251 0.848 0.727 0.937 0.698 CB 1.596 64 residues pruned to eliminate duplicates Z: 56 52.838 2.209 1.003 0.662 0.891 0.618 CB 1.556 56 residues pruned to eliminate duplicates Z: 127 78.816 2.255 0.885 0.641 0.897 0.579 CB 1.615 126 residues pruned to eliminate duplicates Z: 15 28.731 2.209 1.020 0.811 0.857 0.786 CB 1.531 15 residues pruned to eliminate duplicates Z: 53 49.065 2.278 0.914 0.694 0.865 0.654 CA 1.511 53 residues pruned to eliminate duplicates Z: 127 80.638 2.257 0.845 0.636 0.952 0.651 CB 1.595 127 residues pruned to eliminate duplicates Z: 100 75.634 2.260 0.964 0.674 0.919 0.636 CA 1.587 100 residues pruned to eliminate duplicates Z: 131 79.763 2.252 0.918 0.642 0.900 0.638 CB 1.576 131 residues pruned to eliminate duplicates Z: 93 69.730 2.267 0.816 0.685 0.957 0.652 CA 1.557 93 residues pruned to eliminate duplicates Z: 105 78.080 2.281 0.983 0.653 0.923 0.635 CA 1.590 106 residues pruned to eliminate duplicates Z: 14 38.269 2.293 1.103 0.876 1.000 0.769 CB 1.600 14 residues pruned to eliminate duplicates Z: 144 73.488 2.201 0.845 0.565 0.902 0.573 CB 1.575 98 residues pruned to eliminate duplicates Z: 18 21.963 2.145 0.739 0.708 0.882 0.765 CA 1.340 18 residues pruned to eliminate duplicates Z: 114 64.504 2.210 0.886 0.577 0.876 0.566 CA 1.544 114 residues pruned to eliminate duplicates Z: 133 80.023 2.276 0.865 0.629 0.894 0.614 CA 1.626 133 residues pruned to eliminate duplicates Z: 116 84.535 2.281 0.908 0.685 0.930 0.678 CB 1.643 116 residues pruned to eliminate duplicates Z: 98 67.632 2.254 0.823 0.659 0.918 0.670 CA 1.571 98 residues pruned to eliminate duplicates Z: 103 60.233 2.200 0.698 0.624 0.912 0.618 CB 1.559 103 residues pruned to eliminate duplicates Z: 87 79.404 2.276 0.946 0.727 0.965 0.616 CA 1.633 87 residues pruned to eliminate duplicates Z: 80 68.077 2.234 0.940 0.669 0.949 0.633 CB 1.593 80 residues pruned to eliminate duplicates Z: 126 79.375 2.257 0.907 0.632 0.888 0.576 CB 1.642 126 residues pruned to eliminate duplicates Z: 156 81.658 2.206 0.825 0.619 0.923 0.587 CB 1.578 156 residues pruned to eliminate duplicates Z: 115 81.338 2.275 0.893 0.669 0.921 0.658 CB 1.643 115 residues pruned to eliminate duplicates Z: 139 78.835 2.221 0.969 0.604 0.884 0.471 CB 1.571 139 residues pruned to eliminate duplicates Z: 74 66.866 2.270 0.944 0.720 0.918 0.712 CA 1.584 74 residues pruned to eliminate duplicates Z: 141 70.977 2.207 0.800 0.607 0.871 0.607 CB 1.564 141 residues pruned to eliminate duplicates Z: 131 83.449 2.267 0.907 0.633 0.923 0.608 CB 1.619 131 residues pruned to eliminate duplicates Z: 131 86.174 2.270 0.920 0.651 0.938 0.608 CA 1.605 131 residues pruned to eliminate duplicates Z: 134 76.716 2.244 0.857 0.629 0.902 0.609 CB 1.567 134 residues pruned to eliminate duplicates Z: 105 71.481 2.213 0.878 0.653 0.942 0.606 CA 1.552 105 residues pruned to eliminate duplicates Z: 133 83.671 2.259 0.916 0.637 0.917 0.614 CA 1.615 133 residues pruned to eliminate duplicates Z: 99 75.860 2.254 0.966 0.700 0.939 0.694 CA 1.534 99 residues pruned to eliminate duplicates Z: 133 86.342 2.267 0.960 0.639 0.917 0.606 CB 1.620 133 residues pruned to eliminate duplicates Z: 135 76.805 2.238 0.872 0.629 0.896 0.612 CB 1.567 135 residues pruned to eliminate duplicates Z: 76 54.171 2.254 0.796 0.600 0.880 0.587 CB 1.596 76 residues pruned to eliminate duplicates Z: 132 82.260 2.272 0.871 0.645 0.901 0.603 CA 1.639 132 residues pruned to eliminate duplicates Z: 135 80.066 2.263 0.903 0.622 0.888 0.590 CA 1.612 135 residues pruned to eliminate duplicates Z: 133 78.665 2.255 0.959 0.627 0.894 0.583 CB 1.539 133 residues pruned to eliminate duplicates Z: 118 86.596 2.270 1.019 0.667 0.940 0.632 CB 1.593 118 residues pruned to eliminate duplicates Z: 102 77.035 2.256 0.884 0.672 0.950 0.693 CA 1.619 102 residues pruned to eliminate duplicates Z: 102 64.935 2.232 0.881 0.616 0.891 0.584 CA 1.547 102 residues pruned to eliminate duplicates Z: 48 47.759 2.259 0.873 0.592 0.894 0.617 CB 1.687 48 residues pruned to eliminate duplicates Z: 120 84.272 2.275 0.950 0.669 0.933 0.622 CA 1.597 51 residues pruned to eliminate duplicates Z: 11 25.571 2.294 0.995 0.927 0.900 0.900 CA 1.376 11 residues pruned to eliminate duplicates Z: 112 75.987 2.239 0.892 0.673 0.910 0.568 CB 1.596 112 residues pruned to eliminate duplicates Z: 127 77.811 2.242 0.825 0.632 0.929 0.627 CB 1.611 127 residues pruned to eliminate duplicates Z: 105 72.733 2.283 0.921 0.658 0.885 0.683 CA 1.588 105 residues pruned to eliminate duplicates Z: 136 75.415 2.249 0.786 0.625 0.919 0.637 CA 1.564 136 residues pruned to eliminate duplicates Z: 130 81.037 2.260 0.865 0.641 0.915 0.620 CA 1.623 130 residues pruned to eliminate duplicates Z: 27 30.643 2.245 0.814 0.570 0.962 0.500 CA 1.434 27 residues pruned to eliminate duplicates Z: 136 83.847 2.270 0.933 0.627 0.904 0.563 CB 1.615 136 residues pruned to eliminate duplicates Z: 105 74.463 2.251 0.902 0.670 0.923 0.596 CA 1.580 105 residues pruned to eliminate duplicates Z: 54 49.583 2.282 0.982 0.553 0.887 0.509 CA 1.613 54 residues pruned to eliminate duplicates Z: 35 31.711 2.211 0.862 0.568 0.853 0.382 CB 1.450 35 residues pruned to eliminate duplicates Z: 178 96.270 2.274 0.901 0.596 0.927 0.605 CA 1.648 354 residues pruned to eliminate duplicates Z: 6 3.701 1.765 0.388 0.204 0.800 0.600 CA 1.200 6 residues pruned to eliminate duplicates Z: 132 78.895 2.246 0.861 0.620 0.916 0.565 CA 1.608 132 residues pruned to eliminate duplicates Z: 134 81.543 2.258 0.901 0.630 0.895 0.541 CB 1.630 142 residues pruned to eliminate duplicates Z: 131 83.845 2.276 0.870 0.646 0.923 0.631 CA 1.634 131 residues pruned to eliminate duplicates Z: 143 73.459 2.189 0.892 0.577 0.894 0.585 CA 1.545 143 residues pruned to eliminate duplicates Z: 97 75.546 2.287 0.966 0.666 0.906 0.667 CA 1.622 97 residues pruned to eliminate duplicates Z: 104 63.659 2.212 0.840 0.634 0.864 0.631 CA 1.573 104 residues pruned to eliminate duplicates Z: 104 70.025 2.264 0.855 0.647 0.893 0.602 CB 1.604 104 residues pruned to eliminate duplicates Z: 33 33.334 2.247 0.897 0.551 0.875 0.562 CB 1.503 33 residues pruned to eliminate duplicates Z: 135 84.094 2.255 0.948 0.627 0.903 0.679 CB 1.625 135 residues pruned to eliminate duplicates Z: 130 76.360 2.201 1.000 0.603 0.907 0.566 CB 1.527 130 residues pruned to eliminate duplicates Z: 152 83.449 2.270 0.891 0.589 0.894 0.543 CB 1.625 152 residues pruned to eliminate duplicates Z: 42 34.516 2.227 0.844 0.483 0.854 0.463 CB 1.564 42 residues pruned to eliminate duplicates Z: 55 42.235 2.237 0.960 0.527 0.833 0.500 CB 1.531 55 residues pruned to eliminate duplicates Z: 31 36.487 2.244 0.945 0.555 0.900 0.667 CB 1.607 31 residues pruned to eliminate duplicates Z: 124 82.666 2.264 0.926 0.649 0.927 0.610 CA 1.605 124 residues pruned to eliminate duplicates Z: 133 80.233 2.265 0.889 0.633 0.894 0.561 CB 1.612 133 residues pruned to eliminate duplicates Z: 54 38.823 2.232 0.810 0.545 0.792 0.491 CB 1.594 54 residues pruned to eliminate duplicates Z: 108 73.393 2.234 0.936 0.621 0.916 0.589 CA 1.598 108 residues pruned to eliminate duplicates Z: 31 28.215 2.234 0.798 0.546 0.833 0.467 CB 1.472 31 residues pruned to eliminate duplicates Z: 40 24.854 2.054 0.925 0.420 0.821 0.385 CB 1.334 40 residues pruned to eliminate duplicates Z: 55 45.411 2.246 0.859 0.564 0.870 0.519 CB 1.598 55 residues pruned to eliminate duplicates Z: 22 20.656 2.115 0.878 0.376 0.810 0.476 CB 1.601 22 residues pruned to eliminate duplicates Z: 133 81.250 2.252 0.941 0.632 0.894 0.636 CB 1.599 133 residues pruned to eliminate duplicates Z: 19 13.154 2.048 0.429 0.333 0.889 0.611 CB 1.431 19 residues pruned to eliminate duplicates Z: 18 13.645 2.088 0.434 0.298 0.941 0.471 CB 1.472 18 residues pruned to eliminate duplicates Z: 87 62.438 2.234 0.864 0.593 0.942 0.605 CB 1.571 87 residues pruned to eliminate duplicates Z: 105 71.144 2.280 0.895 0.585 0.904 0.596 CB 1.647 105 residues pruned to eliminate duplicates Z: 96 70.108 2.320 0.785 0.641 0.905 0.589 CB 1.682 98 residues pruned to eliminate duplicates Z: 11 23.038 2.249 0.965 0.791 0.800 0.800 CB 1.596 11 residues pruned to eliminate duplicates Z: 91 71.076 2.304 0.880 0.633 0.922 0.600 CA 1.656 70 residues pruned to eliminate duplicates Z: 13 32.245 2.300 0.904 0.923 1.000 0.833 CB 1.495 13 residues pruned to eliminate duplicates Z: 111 75.668 2.244 0.799 0.678 0.927 0.609 CA 1.636 111 residues pruned to eliminate duplicates Z: 57 47.495 2.042 0.951 0.654 0.911 0.643 CA 1.516 57 residues pruned to eliminate duplicates Z: 109 78.998 2.251 0.919 0.682 0.935 0.620 CA 1.591 109 residues pruned to eliminate duplicates Z: 114 84.474 2.254 0.945 0.690 0.920 0.611 CA 1.655 114 residues pruned to eliminate duplicates Z: 74 70.983 2.351 0.836 0.700 0.959 0.753 CA 1.672 74 residues pruned to eliminate duplicates Z: 92 75.631 2.324 0.945 0.664 0.901 0.604 CA 1.673 92 residues pruned to eliminate duplicates Z: 81 59.288 2.270 0.753 0.644 0.875 0.663 CB 1.664 81 residues pruned to eliminate duplicates Z: 87 58.406 2.305 0.753 0.585 0.895 0.593 CA 1.605 87 residues pruned to eliminate duplicates Z: 77 65.050 2.296 0.849 0.694 0.895 0.697 CA 1.645 77 residues pruned to eliminate duplicates Z: 75 61.665 2.333 0.796 0.632 0.919 0.622 CA 1.645 75 residues pruned to eliminate duplicates Z: 96 70.753 2.291 0.943 0.627 0.905 0.653 CB 1.599 96 residues pruned to eliminate duplicates Z: 52 57.499 2.341 0.884 0.661 0.941 0.706 CA 1.671 52 residues pruned to eliminate duplicates Z: 108 71.273 2.225 0.901 0.642 0.888 0.626 CA 1.608 108 residues pruned to eliminate duplicates Z: 110 70.804 2.269 0.810 0.641 0.890 0.642 CA 1.626 110 residues pruned to eliminate duplicates Z: 91 71.648 2.238 0.899 0.699 0.933 0.689 CA 1.588 91 residues pruned to eliminate duplicates Z: 127 82.580 2.254 0.933 0.657 0.905 0.683 CA 1.613 127 residues pruned to eliminate duplicates Z: 116 75.886 2.226 0.890 0.670 0.922 0.722 CA 1.560 116 residues pruned to eliminate duplicates Z: 124 81.318 2.256 0.909 0.641 0.919 0.634 CA 1.624 126 residues pruned to eliminate duplicates Z: 22 29.178 2.218 0.435 0.836 0.952 0.810 CA 1.572 22 residues pruned to eliminate duplicates Z: 111 79.068 2.238 0.966 0.690 0.909 0.636 CA 1.584 111 residues pruned to eliminate duplicates Z: 113 83.870 2.245 0.942 0.681 0.938 0.607 CA 1.641 113 residues pruned to eliminate duplicates Z: 135 86.137 2.210 0.986 0.639 0.925 0.597 CB 1.608 135 residues pruned to eliminate duplicates Z: 102 77.000 2.235 0.964 0.664 0.921 0.545 CA 1.628 102 residues pruned to eliminate duplicates Z: 129 86.546 2.239 1.028 0.638 0.914 0.625 CA 1.620 129 residues pruned to eliminate duplicates Z: 107 80.088 2.258 0.940 0.681 0.943 0.632 CA 1.594 107 residues pruned to eliminate duplicates Z: 120 84.072 2.218 1.015 0.674 0.916 0.605 CA 1.604 120 residues pruned to eliminate duplicates Z: 114 80.465 2.226 0.933 0.684 0.920 0.611 CA 1.615 114 residues pruned to eliminate duplicates Z: 129 89.312 2.271 0.958 0.658 0.930 0.586 CA 1.650 129 residues pruned to eliminate duplicates Z: 113 79.537 2.246 0.952 0.682 0.893 0.554 CA 1.624 113 residues pruned to eliminate duplicates Z: 133 79.006 2.216 0.950 0.632 0.909 0.614 CA 1.547 133 residues pruned to eliminate duplicates Z: 95 76.491 2.224 0.967 0.702 0.926 0.649 CA 1.621 95 residues pruned to eliminate duplicates Z: 131 83.405 2.249 0.986 0.650 0.885 0.608 CA 1.610 131 residues pruned to eliminate duplicates Z: 89 78.662 2.307 0.945 0.700 0.920 0.557 CA 1.692 89 residues pruned to eliminate duplicates Z: 129 86.910 2.258 0.867 0.677 0.938 0.602 CA 1.651 129 residues pruned to eliminate duplicates Z: 125 82.353 2.243 0.942 0.665 0.895 0.573 CA 1.629 125 residues pruned to eliminate duplicates Z: 131 82.329 2.261 0.942 0.651 0.885 0.623 CA 1.615 131 residues pruned to eliminate duplicates Z: 125 87.887 2.243 1.022 0.666 0.903 0.573 CA 1.651 125 residues pruned to eliminate duplicates Z: 94 71.912 2.216 0.895 0.680 0.925 0.613 CA 1.627 94 residues pruned to eliminate duplicates Z: 88 78.483 2.248 0.961 0.735 0.943 0.598 CA 1.640 88 residues pruned to eliminate duplicates Z: 130 85.066 2.237 0.982 0.649 0.907 0.589 CB 1.621 130 residues pruned to eliminate duplicates Z: 111 81.719 2.253 0.937 0.699 0.900 0.618 CA 1.654 111 residues pruned to eliminate duplicates Z: 113 79.590 2.244 0.919 0.681 0.911 0.634 CA 1.624 113 residues pruned to eliminate duplicates Z: 147 85.276 2.272 0.862 0.602 0.918 0.582 CA 1.650 108 residues pruned to eliminate duplicates Z: 15 31.688 2.220 1.099 0.797 0.929 0.643 CB 1.509 15 residues pruned to eliminate duplicates Z: 154 85.316 2.182 0.958 0.594 0.915 0.595 CB 1.612 154 residues pruned to eliminate duplicates Z: 140 84.032 2.183 0.954 0.638 0.935 0.576 CA 1.570 140 residues pruned to eliminate duplicates Z: 103 74.471 2.223 0.965 0.638 0.922 0.608 CA 1.610 103 residues pruned to eliminate duplicates Z: 93 79.809 2.332 1.031 0.652 0.924 0.543 CB 1.651 93 residues pruned to eliminate duplicates Z: 158 85.081 2.205 0.875 0.617 0.911 0.624 CA 1.614 158 residues pruned to eliminate duplicates Z: 134 79.264 2.202 0.962 0.611 0.872 0.564 CA 1.641 134 residues pruned to eliminate duplicates Z: 36 41.318 2.263 0.921 0.612 0.886 0.571 CB 1.631 36 residues pruned to eliminate duplicates Z: 134 80.198 2.227 0.930 0.602 0.895 0.586 CA 1.642 134 residues pruned to eliminate duplicates Z: 37 33.268 2.174 1.167 0.489 0.806 0.444 CB 1.478 37 residues pruned to eliminate duplicates Z: 18 20.246 2.175 0.624 0.583 0.882 0.529 CA 1.455 18 residues pruned to eliminate duplicates Z: 132 82.863 2.232 0.967 0.645 0.885 0.611 CA 1.627 132 residues pruned to eliminate duplicates Z: 123 91.228 2.267 1.014 0.683 0.926 0.639 CA 1.650 123 residues pruned to eliminate duplicates Z: 111 91.436 2.250 1.048 0.707 0.936 0.618 CA 1.674 111 residues pruned to eliminate duplicates Z: 90 79.405 2.310 0.920 0.691 0.921 0.618 CB 1.730 90 residues pruned to eliminate duplicates Z: 11 32.488 2.171 1.045 0.880 1.000 0.400 CB 1.677 11 residues pruned to eliminate duplicates Z: 126 80.622 2.232 0.963 0.635 0.872 0.544 CA 1.664 126 residues pruned to eliminate duplicates Z: 21 24.811 2.094 0.959 0.532 0.850 0.500 CB 1.542 21 residues pruned to eliminate duplicates Z: 36 32.114 2.212 1.020 0.507 0.886 0.543 CB 1.363 36 residues pruned to eliminate duplicates Z: 130 89.307 2.272 0.992 0.652 0.915 0.651 CB 1.649 130 residues pruned to eliminate duplicates Z: 12 28.608 2.277 1.178 0.759 0.818 0.364 CA 1.689 12 residues pruned to eliminate duplicates Z: 108 83.133 2.282 1.061 0.656 0.888 0.561 CB 1.665 108 residues pruned to eliminate duplicates Z: 125 81.352 2.242 0.936 0.655 0.895 0.661 CA 1.628 125 residues pruned to eliminate duplicates Z: 107 78.950 2.284 0.959 0.644 0.887 0.519 CB 1.689 107 residues pruned to eliminate duplicates Z: 27 29.465 2.230 0.915 0.573 0.808 0.500 CA 1.561 27 residues pruned to eliminate duplicates Z: 25 20.596 2.046 0.830 0.446 0.833 0.500 CA 1.424 25 residues pruned to eliminate duplicates Z: 132 75.843 2.209 0.872 0.626 0.893 0.580 CB 1.594 132 residues pruned to eliminate duplicates Z: 92 74.204 2.337 0.918 0.666 0.901 0.604 CA 1.652 92 residues pruned to eliminate duplicates Z: 125 83.358 2.261 0.958 0.664 0.903 0.597 CA 1.608 125 residues pruned to eliminate duplicates Z: 129 88.135 2.268 0.943 0.658 0.922 0.578 CA 1.656 129 residues pruned to eliminate duplicates Z: 23 15.830 2.088 0.667 0.389 0.727 0.364 CA 1.500 23 residues pruned to eliminate duplicates Z: 132 86.384 2.238 0.961 0.665 0.916 0.595 CA 1.612 132 residues pruned to eliminate duplicates Z: 16 11.597 2.123 0.373 0.433 0.733 0.267 CA 1.501 16 residues pruned to eliminate duplicates Z: 98 51.288 2.223 0.675 0.479 0.918 0.546 CB 1.556 86 residues pruned to eliminate duplicates Z: 6 5.444 1.977 0.206 0.605 1.000 0.600 CB 0.924 6 residues pruned to eliminate duplicates Z: 124 85.482 2.258 0.931 0.671 0.911 0.561 CA 1.657 124 residues pruned to eliminate duplicates Z: 16 15.845 2.223 0.580 0.439 0.867 0.533 CA 1.431 16 residues pruned to eliminate duplicates Z: 9 5.360 2.055 -0.151 0.342 0.750 0.500 N 1.720 Z: 16 23.558 2.170 0.917 0.673 0.800 0.533 CA 1.557 25 residues pruned to eliminate duplicates Z: 180 94.216 2.259 0.828 0.612 0.927 0.670 CA 1.653 191 residues pruned to eliminate duplicates Z: 13 28.495 2.236 0.913 0.808 0.917 0.750 CB 1.604 13 residues pruned to eliminate duplicates Z: 80 49.353 2.283 0.603 0.489 0.899 0.608 CB 1.707 67 residues pruned to eliminate duplicates Z: 12 31.980 2.305 0.927 0.840 1.000 0.909 CA 1.620 12 residues pruned to eliminate duplicates Z: 49 45.611 2.333 0.725 0.557 0.896 0.667 CA 1.727 49 residues pruned to eliminate duplicates Z: 63 45.537 2.231 0.772 0.507 0.903 0.597 CB 1.608 63 residues pruned to eliminate duplicates Z: 195 100.200 2.262 0.876 0.605 0.928 0.613 CA 1.653 194 residues pruned to eliminate duplicates Z: 13 27.773 2.253 1.002 0.834 0.833 0.750 CA 1.599 13 residues pruned to eliminate duplicates Z: 51 42.586 2.322 0.712 0.531 0.900 0.680 CA 1.634 51 residues pruned to eliminate duplicates Z: 194 98.442 2.247 0.852 0.604 0.917 0.534 CA 1.682 193 residues pruned to eliminate duplicates Z: 13 28.915 2.251 1.233 0.767 0.833 0.667 CA 1.573 13 residues pruned to eliminate duplicates Z: 84 55.072 2.263 0.782 0.472 0.916 0.627 CA 1.684 86 residues pruned to eliminate duplicates Z: 16 27.456 2.270 1.040 0.680 0.933 0.667 CA 1.391 16 residues pruned to eliminate duplicates Z: 65 52.973 2.300 0.729 0.540 0.938 0.641 CA 1.708 65 residues pruned to eliminate duplicates Z: 192 102.104 2.265 0.912 0.601 0.932 0.597 CA 1.662 192 residues pruned to eliminate duplicates Z: 69 52.674 2.307 0.678 0.523 0.956 0.691 CB 1.686 69 residues pruned to eliminate duplicates Z: 157 86.328 2.222 0.896 0.618 0.878 0.506 CB 1.671 157 residues pruned to eliminate duplicates Z: 101 60.458 2.289 0.761 0.511 0.900 0.630 CB 1.649 101 residues pruned to eliminate duplicates Z: 66 52.363 2.278 0.755 0.538 0.954 0.677 CB 1.641 66 residues pruned to eliminate duplicates Z: 116 68.910 2.282 0.807 0.518 0.922 0.548 CA 1.660 116 residues pruned to eliminate duplicates Z: 53 44.725 2.328 0.717 0.542 0.885 0.615 CA 1.682 53 residues pruned to eliminate duplicates Z: 39 41.396 2.321 0.801 0.458 0.974 0.579 CB 1.723 39 residues pruned to eliminate duplicates Z: 56 48.155 2.338 0.874 0.504 0.909 0.618 CA 1.623 56 residues pruned to eliminate duplicates Z: 193 100.746 2.269 0.887 0.607 0.922 0.661 CA 1.664 193 residues pruned to eliminate duplicates Z: 15 30.102 2.185 0.687 0.752 1.000 0.643 N 1.743 15 residues pruned to eliminate duplicates Z: 85 54.785 2.272 0.751 0.489 0.893 0.571 CA 1.701 85 residues pruned to eliminate duplicates Z: 76 46.633 2.266 0.710 0.492 0.853 0.600 CB 1.641 76 residues pruned to eliminate duplicates Z: 90 58.589 2.292 0.845 0.522 0.876 0.506 CB 1.641 90 residues pruned to eliminate duplicates Z: 69 51.363 2.268 0.840 0.505 0.926 0.603 CB 1.603 67 residues pruned to eliminate duplicates Z: 11 30.885 2.424 1.013 0.863 0.800 0.700 CA 1.836 11 residues pruned to eliminate duplicates Z: 66 50.901 2.289 0.756 0.516 0.923 0.492 CB 1.674 66 residues pruned to eliminate duplicates Z: 84 49.818 2.235 0.661 0.497 0.904 0.554 CB 1.636 86 residues pruned to eliminate duplicates Z: 12 30.585 2.318 0.983 0.874 0.909 0.636 CA 1.607 12 residues pruned to eliminate duplicates Z: 196 95.045 2.240 0.839 0.594 0.913 0.574 CA 1.653 196 residues pruned to eliminate duplicates Z: 193 98.535 2.265 0.882 0.596 0.917 0.589 CA 1.660 193 residues pruned to eliminate duplicates Z: 180 98.985 2.273 0.917 0.611 0.916 0.615 CA 1.667 180 residues pruned to eliminate duplicates Z: 191 106.338 2.280 0.896 0.612 0.953 0.632 CB 1.685 191 residues pruned to eliminate duplicates Z: 45 54.364 2.389 0.979 0.551 0.955 0.568 CA 1.728 45 residues pruned to eliminate duplicates Z: 90 61.041 2.265 0.911 0.506 0.876 0.551 CB 1.696 90 residues pruned to eliminate duplicates Z: 66 46.205 2.283 0.792 0.509 0.862 0.600 CB 1.612 66 residues pruned to eliminate duplicates Z: 67 47.619 2.322 0.725 0.503 0.894 0.606 CB 1.633 67 residues pruned to eliminate duplicates Z: 101 54.738 2.278 0.692 0.486 0.900 0.580 CB 1.600 101 residues pruned to eliminate duplicates Z: 69 51.145 2.294 0.841 0.502 0.897 0.632 CB 1.635 69 residues pruned to eliminate duplicates Z: 68 48.268 2.270 0.812 0.465 0.896 0.537 CB 1.659 68 residues pruned to eliminate duplicates Z: 66 42.915 2.254 0.715 0.500 0.892 0.569 CB 1.543 66 residues pruned to eliminate duplicates Z: 29 18.803 2.132 0.427 0.418 0.893 0.571 CB 1.425 29 residues pruned to eliminate duplicates Z: 27 19.763 2.138 0.494 0.433 0.923 0.692 CB 1.409 27 residues pruned to eliminate duplicates Z: 192 95.612 2.267 0.865 0.600 0.906 0.639 CA 1.642 192 residues pruned to eliminate duplicates Z: 100 61.736 2.257 0.872 0.497 0.899 0.545 CB 1.638 100 residues pruned to eliminate duplicates Z: 96 60.807 2.289 0.894 0.526 0.863 0.547 CB 1.624 96 residues pruned to eliminate duplicates Z: 100 62.362 2.277 0.931 0.504 0.889 0.616 CB 1.597 100 residues pruned to eliminate duplicates Z: 32 24.111 2.055 0.819 0.420 0.903 0.581 CB 1.394 32 residues pruned to eliminate duplicates Z: 170 95.941 2.308 0.882 0.596 0.923 0.675 CA 1.679 170 residues pruned to eliminate duplicates Z: 27 20.426 2.078 0.577 0.436 0.885 0.577 CB 1.476 27 residues pruned to eliminate duplicates Z: 12 14.941 2.072 0.286 0.711 1.000 0.636 CB 1.397 12 residues pruned to eliminate duplicates Z: 11 16.817 1.894 0.579 0.818 1.000 0.500 CB 1.349 11 residues pruned to eliminate duplicates Z: 10 12.817 2.053 0.118 0.871 1.000 0.444 CB 1.358 10 residues pruned to eliminate duplicates Z: 33 24.556 1.998 0.761 0.421 0.969 0.562 CB 1.383 33 residues pruned to eliminate duplicates Z: 69 44.949 2.244 0.839 0.497 0.868 0.544 CB 1.528 69 residues pruned to eliminate duplicates Z: 66 53.258 2.298 0.799 0.508 0.938 0.646 CB 1.689 66 residues pruned to eliminate duplicates Z: 190 97.714 2.264 0.942 0.589 0.889 0.571 CB 1.671 190 residues pruned to eliminate duplicates Z: 86 52.559 2.266 0.812 0.482 0.871 0.588 CB 1.625 86 residues pruned to eliminate duplicates Z: 194 107.441 2.270 0.941 0.614 0.933 0.632 CA 1.689 194 residues pruned to eliminate duplicates Z: 10 7.242 1.600 0.622 0.710 1.000 0.444 CB 0.768 7 residues pruned to eliminate duplicates Z: 8 6.113 1.598 0.062 0.859 1.000 0.857 CB 1.002 8 residues pruned to eliminate duplicates Z: 11 5.415 1.561 0.201 0.603 0.900 0.500 CB 0.920 11 residues pruned to eliminate duplicates Z: 9 6.567 1.620 0.298 0.731 1.000 0.500 CB 0.897 9 residues pruned to eliminate duplicates Z: 13 8.828 1.471 0.509 0.699 0.917 0.750 CB 1.044 10 residues pruned to eliminate duplicates Z: 14 15.095 1.830 0.323 0.838 1.000 0.769 CB 1.292 14 residues pruned to eliminate duplicates Z: 11 9.590 1.836 0.312 0.562 0.800 0.500 CB 1.481 11 residues pruned to eliminate duplicates Z: 8 11.953 2.026 0.384 0.710 0.857 0.857 CB 1.555 7 residues pruned to eliminate duplicates Z: 12 15.901 1.919 0.282 0.898 1.000 0.727 CB 1.394 12 residues pruned to eliminate duplicates Z: 39 27.707 1.935 0.589 0.694 0.921 0.789 CB 1.329 38 residues pruned to eliminate duplicates Z: 13 24.045 1.898 0.750 0.903 1.000 0.750 CA 1.489 13 residues pruned to eliminate duplicates Z: 14 23.348 1.894 0.803 0.884 1.000 0.846 CB 1.370 14 residues pruned to eliminate duplicates Z: 38 30.801 1.956 0.620 0.719 0.973 0.676 CB 1.347 38 residues pruned to eliminate duplicates Z: 13 23.087 1.975 0.635 0.900 1.000 0.667 CB 1.474 14 residues pruned to eliminate duplicates Z: 13 20.827 2.000 0.491 0.901 1.000 0.750 CB 1.439 13 residues pruned to eliminate duplicates Z: 14 19.092 1.969 0.646 0.796 0.923 0.923 CB 1.365 14 residues pruned to eliminate duplicates Z: 14 18.069 1.960 0.538 0.805 0.923 0.615 CB 1.380 14 residues pruned to eliminate duplicates Z: 40 22.885 1.903 0.398 0.687 0.897 0.667 CB 1.294 39 residues pruned to eliminate duplicates Z: 13 20.709 2.028 0.623 0.857 0.917 0.667 CB 1.460 14 residues pruned to eliminate duplicates Z: 18 21.126 1.975 0.517 0.766 1.000 0.647 CA 1.351 18 residues pruned to eliminate duplicates Z: 39 18.807 1.813 0.573 0.526 0.921 0.447 CB 1.132 39 residues pruned to eliminate duplicates Z: 27 20.493 1.895 0.600 0.664 0.923 0.615 CB 1.234 18 residues pruned to eliminate duplicates Z: 16 22.203 1.988 0.597 0.862 1.000 0.667 CA 1.327 16 residues pruned to eliminate duplicates Z: 26 24.040 1.906 0.748 0.687 0.960 0.560 CB 1.267 27 residues pruned to eliminate duplicates Z: 19 23.310 1.931 0.660 0.861 0.944 0.667 CA 1.334 19 residues pruned to eliminate duplicates Z: 23 21.909 1.998 0.633 0.697 0.955 0.682 CB 1.253 23 residues pruned to eliminate duplicates Z: 26 20.986 1.910 0.650 0.678 0.920 0.720 CB 1.229 26 residues pruned to eliminate duplicates Z: 38 30.822 1.969 0.605 0.720 1.000 0.649 CB 1.314 38 residues pruned to eliminate duplicates Z: 28 19.889 1.873 0.583 0.661 0.926 0.667 CB 1.201 28 residues pruned to eliminate duplicates Z: 27 19.963 1.894 0.628 0.646 0.885 0.654 CB 1.252 27 residues pruned to eliminate duplicates Z: 27 22.510 1.900 0.625 0.687 0.923 0.462 CB 1.305 27 residues pruned to eliminate duplicates Z: 16 30.258 1.995 0.950 0.890 1.000 0.333 CA 1.445 16 residues pruned to eliminate duplicates Z: 37 28.913 1.948 0.760 0.676 0.944 0.528 CB 1.265 36 residues pruned to eliminate duplicates Z: 18 24.173 2.043 0.769 0.822 0.882 0.471 CB 1.391 18 residues pruned to eliminate duplicates Z: 77 34.293 1.881 0.737 0.638 0.921 0.513 CB 1.148 86 residues pruned to eliminate duplicates Z: 20 25.453 1.947 0.735 0.817 1.000 0.579 CA 1.313 24 residues pruned to eliminate duplicates Z: 21 21.966 1.859 0.804 0.775 0.900 0.400 CB 1.277 21 residues pruned to eliminate duplicates 696 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 188 D: 118 E: 152 F: 153 G: 73 CC for partial structure against native data = 37.10 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.578, Connect. = 0.718 for dens.mod. cycle 1 = 0.300, Contrast = 0.659, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.789, Connect. = 0.779 for dens.mod. cycle 3 = 0.300, Contrast = 0.805, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.819, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.823, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.828, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.828, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.829, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.828, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4203 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 955 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 36.574 2.266 0.931 0.840 0.889 0.778 CA 1.655 B: 18 38.213 2.431 0.845 0.833 0.882 0.765 CB 1.756 18 residues pruned to eliminate duplicates C: 14 27.840 2.275 0.516 0.915 1.000 0.846 CB 1.581 D: 14 33.644 2.296 1.018 0.837 0.923 0.769 CA 1.632 E: 21 39.883 2.222 0.982 0.870 0.950 0.500 CA 1.556 F: 17 36.050 2.439 0.766 0.830 0.938 0.812 CB 1.678 18 residues pruned to eliminate duplicates G: 19 42.589 2.374 0.926 0.874 0.944 0.778 CA 1.691 18 residues pruned to eliminate duplicates H: 21 16.951 2.215 0.702 0.391 0.750 0.550 CA 1.504 I: 15 23.308 2.205 0.757 0.854 1.000 0.571 CB 1.187 J: 12 32.349 2.566 0.658 0.837 1.000 0.909 CB 1.715 K: 14 33.596 2.211 1.000 0.860 1.000 0.769 CA 1.550 14 residues pruned to eliminate duplicates L: 14 37.197 2.238 1.109 0.830 1.000 0.692 CA 1.643 M: 12 23.956 2.437 0.601 0.829 0.909 0.636 CB 1.533 11 residues pruned to eliminate duplicates N: 18 52.479 2.424 1.285 0.859 0.941 0.706 CA 1.796 18 residues pruned to eliminate duplicates O: 17 48.318 2.458 1.117 0.861 0.938 0.750 CA 1.819 17 residues pruned to eliminate duplicates P: 9 13.800 2.307 0.255 0.879 1.000 1.000 CA 1.222 9 residues pruned to eliminate duplicates Q: 9 26.061 2.385 0.780 0.878 0.875 0.875 CB 1.800 R: 14 33.169 2.289 0.965 0.902 0.923 0.769 CB 1.580 14 residues pruned to eliminate duplicates S: 10 18.214 2.558 0.123 0.918 0.889 0.778 CB 1.677 10 residues pruned to eliminate duplicates T: 13 31.132 2.369 0.776 0.870 1.000 0.917 CB 1.559 U: 13 23.918 2.074 0.527 0.892 1.000 0.917 CA 1.566 V: 22 31.818 2.143 0.898 0.822 0.857 0.429 CA 1.507 22 residues pruned to eliminate duplicates W: 13 35.049 2.315 1.122 0.907 1.000 0.750 CB 1.464 13 residues pruned to eliminate duplicates X: 12 22.025 2.280 0.451 0.857 0.909 0.818 CA 1.627 Y: 21 44.759 2.293 0.906 0.871 1.000 0.750 CA 1.670 Z: 12 29.885 2.189 0.727 0.911 1.000 0.818 CA 1.690 13 residues pruned to eliminate duplicates Z: 12 24.583 2.169 1.075 0.890 0.909 0.636 CB 1.303 10 residues pruned to eliminate duplicates Z: 14 17.525 1.997 0.509 0.824 0.923 0.846 CB 1.319 14 residues pruned to eliminate duplicates Z: 171 93.506 2.284 0.820 0.604 0.924 0.612 CA 1.693 62 residues pruned to eliminate duplicates Z: 13 28.569 2.060 0.855 0.920 1.000 1.000 CA 1.519 12 residues pruned to eliminate duplicates Z: 14 31.862 2.251 0.959 0.843 0.923 0.769 CA 1.617 14 residues pruned to eliminate duplicates Z: 13 30.825 2.364 0.761 0.853 1.000 0.833 CA 1.580 12 residues pruned to eliminate duplicates Z: 6 11.461 2.162 0.753 0.683 0.800 0.800 CB 1.430 6 residues pruned to eliminate duplicates Z: 18 20.639 2.129 0.222 0.886 1.000 0.882 CA 1.389 Z: 130 86.773 2.292 0.957 0.657 0.907 0.636 CB 1.623 64 residues pruned to eliminate duplicates Z: 15 29.009 2.237 0.941 0.802 0.857 0.643 CA 1.600 15 residues pruned to eliminate duplicates Z: 31 34.630 2.223 1.017 0.606 0.867 0.533 CB 1.471 31 residues pruned to eliminate duplicates Z: 22 44.581 2.254 0.906 0.860 1.000 0.714 CA 1.665 22 residues pruned to eliminate duplicates Z: 13 33.442 2.244 0.914 0.885 1.000 0.667 CA 1.623 13 residues pruned to eliminate duplicates Z: 8 26.210 2.305 0.964 0.886 1.000 0.286 CA 1.578 8 residues pruned to eliminate duplicates Z: 13 25.831 2.241 1.132 0.798 0.750 0.583 CA 1.603 13 residues pruned to eliminate duplicates Z: 12 26.160 2.250 0.697 0.839 1.000 0.818 CA 1.543 12 residues pruned to eliminate duplicates Z: 7 11.113 2.151 0.158 0.851 0.833 0.833 CB 1.618 Z: 23 43.609 2.210 0.936 0.830 0.955 0.455 CA 1.712 23 residues pruned to eliminate duplicates Z: 12 36.309 2.392 1.056 0.890 0.909 0.727 CA 1.761 12 residues pruned to eliminate duplicates Z: 13 30.861 2.462 0.890 0.767 1.000 0.750 CB 1.511 14 residues pruned to eliminate duplicates Z: 13 34.431 2.387 1.089 0.821 1.000 0.750 CB 1.508 13 residues pruned to eliminate duplicates Z: 15 30.507 2.200 0.947 0.798 0.929 0.714 CB 1.580 15 residues pruned to eliminate duplicates Z: 17 26.722 2.090 0.696 0.733 0.938 0.625 CB 1.630 17 residues pruned to eliminate duplicates Z: 13 25.295 2.051 0.614 0.900 1.000 1.000 CA 1.575 13 residues pruned to eliminate duplicates Z: 13 26.944 2.130 0.917 0.832 1.000 0.333 CA 1.430 13 residues pruned to eliminate duplicates Z: 22 33.357 2.212 0.871 0.849 0.857 0.381 CA 1.522 21 residues pruned to eliminate duplicates Z: 21 30.929 2.245 0.527 0.845 1.000 0.750 CA 1.499 21 residues pruned to eliminate duplicates Z: 9 6.682 1.577 0.293 0.560 1.000 0.375 CA 1.093 9 residues pruned to eliminate duplicates Z: 15 28.307 2.191 0.878 0.808 0.929 0.786 CB 1.513 15 residues pruned to eliminate duplicates Z: 14 31.028 2.198 0.816 0.897 1.000 0.923 CA 1.543 14 residues pruned to eliminate duplicates Z: 10 27.799 2.409 0.765 0.907 0.889 0.778 CB 1.743 10 residues pruned to eliminate duplicates Z: 12 20.782 2.222 0.326 0.901 1.000 0.818 CA 1.518 Z: 13 18.072 1.959 0.485 0.935 0.917 0.667 CB 1.363 Z: 13 29.701 2.345 0.851 0.840 1.000 0.833 CB 1.474 13 residues pruned to eliminate duplicates Z: 9 29.886 2.521 0.758 0.877 1.000 0.875 CA 1.732 9 residues pruned to eliminate duplicates Z: 19 26.660 2.204 0.345 0.876 1.000 0.944 CA 1.541 19 residues pruned to eliminate duplicates Z: 11 35.122 2.528 0.793 0.898 0.900 0.900 CB 1.948 11 residues pruned to eliminate duplicates Z: 14 27.455 2.218 0.747 0.782 0.923 0.692 CB 1.662 14 residues pruned to eliminate duplicates Z: 14 33.081 2.206 0.786 0.905 1.000 0.615 CB 1.658 14 residues pruned to eliminate duplicates Z: 98 71.275 2.276 0.938 0.627 0.876 0.485 CA 1.661 98 residues pruned to eliminate duplicates Z: 23 29.675 2.326 0.762 0.579 0.955 0.636 CA 1.499 14 residues pruned to eliminate duplicates Z: 22 41.995 2.202 0.944 0.884 1.000 0.571 CA 1.546 22 residues pruned to eliminate duplicates Z: 14 26.862 2.252 0.961 0.816 0.846 0.769 CA 1.515 14 residues pruned to eliminate duplicates Z: 12 21.135 2.027 0.672 0.896 0.909 0.636 CB 1.482 12 residues pruned to eliminate duplicates Z: 10 36.793 2.483 0.806 0.893 1.000 0.222 CA 1.963 10 residues pruned to eliminate duplicates Z: 14 33.752 2.265 1.101 0.829 0.923 0.538 CA 1.603 14 residues pruned to eliminate duplicates Z: 14 21.043 2.264 0.461 0.830 0.923 0.846 CA 1.437 14 residues pruned to eliminate duplicates Z: 16 22.067 2.113 0.585 0.757 0.933 0.733 CB 1.450 16 residues pruned to eliminate duplicates Z: 106 76.504 2.270 0.979 0.658 0.876 0.648 CB 1.639 106 residues pruned to eliminate duplicates Z: 15 29.881 2.139 1.063 0.861 0.929 0.857 CB 1.433 15 residues pruned to eliminate duplicates Z: 9 9.409 1.682 0.839 0.614 1.000 0.625 CA 0.965 9 residues pruned to eliminate duplicates Z: 22 28.051 2.234 0.520 0.837 0.905 0.810 CA 1.490 22 residues pruned to eliminate duplicates Z: 46 34.824 2.265 0.638 0.485 0.933 0.578 CA 1.522 47 residues pruned to eliminate duplicates Z: 12 28.486 2.095 0.954 0.876 1.000 0.636 CA 1.525 12 residues pruned to eliminate duplicates Z: 13 30.659 2.382 0.837 0.782 1.000 0.500 CB 1.578 13 residues pruned to eliminate duplicates Z: 13 31.350 2.390 0.930 0.771 0.917 0.917 CA 1.684 13 residues pruned to eliminate duplicates Z: 21 38.987 2.228 0.956 0.805 0.900 0.350 CB 1.703 21 residues pruned to eliminate duplicates Z: 56 47.135 2.242 0.856 0.548 0.891 0.527 CB 1.636 56 residues pruned to eliminate duplicates Z: 13 29.910 2.288 0.626 0.883 1.000 0.833 CB 1.677 13 residues pruned to eliminate duplicates Z: 7 7.472 1.987 0.972 0.345 0.667 0.333 N 1.382 Z: 15 34.376 2.256 1.172 0.881 0.929 0.857 CB 1.461 15 residues pruned to eliminate duplicates Z: 13 37.404 2.335 1.097 0.870 1.000 0.833 CB 1.610 13 residues pruned to eliminate duplicates Z: 11 12.774 1.933 0.188 0.806 1.000 0.600 CB 1.348 10 residues pruned to eliminate duplicates Z: 13 23.776 2.122 0.691 0.847 1.000 0.750 CA 1.420 13 residues pruned to eliminate duplicates Z: 13 31.573 2.413 0.619 0.906 1.000 1.000 CA 1.659 13 residues pruned to eliminate duplicates Z: 14 28.997 2.069 0.969 0.866 1.000 0.769 CA 1.445 14 residues pruned to eliminate duplicates Z: 21 35.182 2.277 0.627 0.838 1.000 0.600 CA 1.587 21 residues pruned to eliminate duplicates Z: 18 28.251 2.093 0.595 0.917 1.000 0.765 CA 1.448 18 residues pruned to eliminate duplicates Z: 14 29.393 2.247 0.980 0.832 0.923 0.692 CA 1.490 14 residues pruned to eliminate duplicates Z: 22 35.982 2.173 0.987 0.843 0.905 0.714 CA 1.497 22 residues pruned to eliminate duplicates Z: 60 32.762 2.117 0.605 0.576 0.881 0.610 CB 1.324 25 residues pruned to eliminate duplicates Z: 12 23.687 2.243 0.642 0.821 1.000 0.818 CA 1.468 12 residues pruned to eliminate duplicates Z: 14 19.727 2.125 0.854 0.731 0.846 0.769 CA 1.334 14 residues pruned to eliminate duplicates Z: 18 51.150 2.408 1.315 0.877 1.000 0.765 CB 1.616 19 residues pruned to eliminate duplicates Z: 23 27.853 2.181 0.487 0.809 0.909 0.727 CA 1.539 23 residues pruned to eliminate duplicates Z: 21 35.187 2.206 0.876 0.842 0.950 0.550 CA 1.492 21 residues pruned to eliminate duplicates Z: 130 75.246 2.266 0.883 0.643 0.876 0.519 CB 1.550 130 residues pruned to eliminate duplicates Z: 135 80.876 2.271 0.887 0.637 0.903 0.642 CB 1.588 130 residues pruned to eliminate duplicates Z: 22 27.575 2.112 0.874 0.819 0.810 0.714 CB 1.424 22 residues pruned to eliminate duplicates Z: 13 35.999 2.242 1.127 0.854 1.000 0.500 CA 1.609 13 residues pruned to eliminate duplicates Z: 14 17.113 1.850 0.465 0.861 1.000 0.923 CB 1.287 13 residues pruned to eliminate duplicates Z: 18 35.906 2.153 0.751 0.895 1.000 0.765 CB 1.656 18 residues pruned to eliminate duplicates Z: 19 16.500 2.039 0.155 0.796 0.944 0.722 CA 1.349 19 residues pruned to eliminate duplicates Z: 22 40.648 2.178 0.961 0.888 1.000 0.714 CA 1.496 22 residues pruned to eliminate duplicates Z: 13 25.108 2.235 0.590 0.832 1.000 0.750 CA 1.532 13 residues pruned to eliminate duplicates Z: 11 30.680 2.391 1.088 0.913 0.900 0.600 CB 1.528 11 residues pruned to eliminate duplicates Z: 10 11.813 1.770 0.256 0.802 1.000 0.667 CA 1.361 9 residues pruned to eliminate duplicates Z: 23 24.781 2.164 0.262 0.827 0.955 0.818 CA 1.527 23 residues pruned to eliminate duplicates Z: 14 26.660 2.279 0.464 0.905 1.000 0.923 CA 1.577 14 residues pruned to eliminate duplicates Z: 22 31.678 2.179 0.618 0.825 0.905 0.619 CA 1.635 22 residues pruned to eliminate duplicates Z: 12 22.309 2.184 0.802 0.895 0.909 0.727 CB 1.348 12 residues pruned to eliminate duplicates Z: 18 22.970 2.193 0.261 0.821 1.000 0.824 CA 1.525 18 residues pruned to eliminate duplicates Z: 18 27.804 2.172 0.420 0.885 1.000 0.765 CA 1.579 18 residues pruned to eliminate duplicates Z: 104 71.952 2.206 0.888 0.674 0.942 0.650 CA 1.539 60 residues pruned to eliminate duplicates Z: 12 25.722 1.964 0.830 0.887 1.000 0.727 CA 1.556 12 residues pruned to eliminate duplicates Z: 13 24.103 1.891 0.782 0.916 1.000 0.833 CB 1.458 13 residues pruned to eliminate duplicates Z: 13 27.978 2.359 1.044 0.760 0.917 0.667 CB 1.450 13 residues pruned to eliminate duplicates Z: 15 21.861 2.011 0.962 0.797 0.857 0.857 CA 1.331 15 residues pruned to eliminate duplicates Z: 104 70.223 2.274 0.837 0.648 0.913 0.641 CA 1.581 104 residues pruned to eliminate duplicates Z: 12 18.460 2.004 0.564 0.868 1.000 0.818 CA 1.298 Z: 13 17.909 2.077 0.477 0.845 0.917 0.833 CB 1.367 13 residues pruned to eliminate duplicates Z: 11 24.663 2.143 0.623 0.927 1.000 1.000 CA 1.570 12 residues pruned to eliminate duplicates Z: 12 26.282 2.221 1.202 0.834 0.909 0.455 CB 1.336 12 residues pruned to eliminate duplicates Z: 22 27.099 2.226 0.510 0.848 0.952 0.857 CA 1.370 22 residues pruned to eliminate duplicates Z: 12 24.598 2.221 0.936 0.837 0.818 0.636 CB 1.577 12 residues pruned to eliminate duplicates Z: 23 27.868 2.108 0.643 0.774 0.909 0.545 CA 1.482 23 residues pruned to eliminate duplicates Z: 158 70.825 2.253 0.625 0.591 0.911 0.656 CA 1.553 158 residues pruned to eliminate duplicates Z: 12 26.872 2.259 0.903 0.800 0.909 0.727 CA 1.595 12 residues pruned to eliminate duplicates Z: 11 25.601 2.360 0.801 0.905 0.900 0.800 CB 1.506 11 residues pruned to eliminate duplicates Z: 20 34.084 2.162 0.936 0.857 0.895 0.526 CB 1.539 20 residues pruned to eliminate duplicates Z: 21 16.657 2.219 0.488 0.428 0.800 0.500 CA 1.520 21 residues pruned to eliminate duplicates Z: 17 41.019 2.304 1.036 0.845 0.938 0.750 CB 1.733 17 residues pruned to eliminate duplicates Z: 17 44.890 2.498 0.979 0.876 0.938 0.812 CB 1.760 17 residues pruned to eliminate duplicates Z: 21 41.800 2.273 0.919 0.858 1.000 0.750 CA 1.577 21 residues pruned to eliminate duplicates Z: 13 25.982 2.065 0.668 0.923 1.000 1.000 CA 1.530 13 residues pruned to eliminate duplicates Z: 22 35.265 2.150 0.947 0.798 0.952 0.619 CA 1.487 22 residues pruned to eliminate duplicates Z: 12 19.962 1.988 0.718 0.923 1.000 0.818 CB 1.239 Z: 14 26.190 2.064 1.067 0.887 0.923 0.692 CA 1.330 14 residues pruned to eliminate duplicates Z: 20 32.494 2.232 0.746 0.880 0.895 0.579 CA 1.549 20 residues pruned to eliminate duplicates Z: 65 52.652 2.292 0.816 0.524 0.953 0.688 CB 1.620 65 residues pruned to eliminate duplicates Z: 16 26.922 2.117 0.757 0.750 1.000 0.400 CB 1.496 16 residues pruned to eliminate duplicates Z: 61 39.476 2.168 0.779 0.583 0.883 0.633 CB 1.381 60 residues pruned to eliminate duplicates Z: 14 39.172 2.297 1.175 0.915 1.000 0.923 CB 1.537 14 residues pruned to eliminate duplicates Z: 15 23.844 2.087 0.504 0.900 1.000 0.929 CA 1.450 15 residues pruned to eliminate duplicates Z: 9 8.952 1.843 0.775 0.473 0.875 0.875 CB 1.137 Z: 14 11.385 1.867 0.489 0.468 0.846 0.615 CB 1.387 9 residues pruned to eliminate duplicates Z: 122 81.641 2.224 0.933 0.651 0.917 0.579 CA 1.634 103 residues pruned to eliminate duplicates Z: 11 31.992 2.270 1.146 0.917 0.900 0.600 CB 1.629 11 residues pruned to eliminate duplicates Z: 17 26.747 2.220 0.447 0.852 1.000 0.750 CB 1.540 17 residues pruned to eliminate duplicates Z: 24 18.551 1.959 0.649 0.480 0.913 0.478 CB 1.338 Z: 13 42.102 2.425 1.210 0.904 0.917 0.667 CA 1.762 13 residues pruned to eliminate duplicates Z: 6 6.179 2.084 0.040 0.646 0.800 0.600 N 1.390 Z: 20 34.537 2.231 0.922 0.884 0.947 0.632 CA 1.410 20 residues pruned to eliminate duplicates Z: 21 33.266 2.247 0.941 0.835 0.800 0.350 CA 1.598 21 residues pruned to eliminate duplicates Z: 7 14.408 1.914 1.058 0.815 1.000 1.000 CA 1.135 7 residues pruned to eliminate duplicates Z: 8 9.833 1.588 0.762 0.722 1.000 0.429 CB 1.087 8 residues pruned to eliminate duplicates Z: 12 33.429 2.181 1.205 0.895 1.000 1.000 CB 1.502 12 residues pruned to eliminate duplicates Z: 14 16.582 1.834 0.230 0.903 1.000 1.000 CB 1.453 14 residues pruned to eliminate duplicates Z: 32 31.004 2.297 0.741 0.560 0.839 0.581 CB 1.566 32 residues pruned to eliminate duplicates Z: 12 39.601 2.408 1.058 0.930 0.909 0.636 CB 1.854 12 residues pruned to eliminate duplicates Z: 10 24.423 2.160 0.880 0.893 0.889 0.556 CA 1.619 10 residues pruned to eliminate duplicates Z: 12 16.370 1.982 0.363 0.905 1.000 0.909 CB 1.300 12 residues pruned to eliminate duplicates Z: 12 31.279 2.212 0.935 0.926 1.000 0.818 CB 1.545 12 residues pruned to eliminate duplicates Z: 13 26.858 1.910 0.889 0.926 1.000 0.917 CB 1.507 13 residues pruned to eliminate duplicates Z: 18 26.812 2.210 0.524 0.795 1.000 0.824 CA 1.491 18 residues pruned to eliminate duplicates Z: 84 68.928 2.293 1.001 0.598 0.916 0.554 CB 1.641 84 residues pruned to eliminate duplicates Z: 10 25.184 2.206 1.047 0.883 0.889 0.778 CA 1.513 10 residues pruned to eliminate duplicates Z: 14 18.379 1.753 0.626 0.878 1.000 0.923 CA 1.298 14 residues pruned to eliminate duplicates Z: 52 32.195 2.098 0.716 0.514 0.843 0.588 CB 1.465 37 residues pruned to eliminate duplicates Z: 12 20.126 2.269 0.717 0.768 0.909 0.727 CB 1.351 12 residues pruned to eliminate duplicates Z: 11 38.961 2.346 1.478 0.914 1.000 0.700 CB 1.500 11 residues pruned to eliminate duplicates Z: 13 21.568 2.228 0.581 0.831 0.917 0.833 CA 1.449 13 residues pruned to eliminate duplicates Z: 16 26.740 1.978 0.931 0.894 0.933 0.467 CA 1.389 Z: 14 42.610 2.276 1.304 0.871 1.000 0.538 CB 1.644 14 residues pruned to eliminate duplicates Z: 64 54.016 2.289 0.847 0.547 0.921 0.603 CB 1.670 65 residues pruned to eliminate duplicates Z: 7 8.810 1.803 0.837 0.636 0.833 0.500 N 1.147 Z: 11 10.352 1.657 0.519 0.689 1.000 0.500 CB 1.094 11 residues pruned to eliminate duplicates Z: 13 27.783 1.966 0.905 0.885 1.000 0.667 CA 1.546 13 residues pruned to eliminate duplicates Z: 18 43.406 2.402 1.200 0.870 0.882 0.588 CB 1.648 18 residues pruned to eliminate duplicates Z: 53 36.576 2.047 0.639 0.590 0.962 0.635 CB 1.443 53 residues pruned to eliminate duplicates Z: 12 30.300 2.553 0.637 0.811 1.000 0.818 CB 1.667 12 residues pruned to eliminate duplicates Z: 6 3.447 1.642 0.293 0.556 0.800 0.600 N 0.859 6 residues pruned to eliminate duplicates Z: 75 64.857 2.303 0.877 0.695 0.905 0.635 CA 1.611 75 residues pruned to eliminate duplicates Z: 45 36.387 2.146 0.798 0.498 0.909 0.636 CB 1.567 45 residues pruned to eliminate duplicates Z: 132 81.662 2.266 0.873 0.644 0.901 0.603 CA 1.631 132 residues pruned to eliminate duplicates Z: 14 22.653 2.110 0.737 0.794 0.923 0.615 CB 1.435 14 residues pruned to eliminate duplicates Z: 10 15.925 2.058 0.574 0.776 0.889 0.556 CB 1.444 9 residues pruned to eliminate duplicates Z: 6 8.137 1.736 0.371 0.698 1.000 0.800 CB 1.276 Z: 133 71.053 2.238 0.806 0.623 0.894 0.477 CB 1.524 136 residues pruned to eliminate duplicates Z: 12 21.952 2.224 0.879 0.871 0.909 0.727 CB 1.270 12 residues pruned to eliminate duplicates Z: 12 16.415 1.910 0.372 0.876 1.000 0.545 CA 1.373 12 residues pruned to eliminate duplicates Z: 12 20.321 2.231 0.514 0.835 0.909 0.636 CB 1.495 12 residues pruned to eliminate duplicates Z: 26 29.354 2.240 0.869 0.522 0.880 0.760 CA 1.559 26 residues pruned to eliminate duplicates Z: 20 30.893 2.282 0.628 0.879 0.947 0.842 CA 1.460 20 residues pruned to eliminate duplicates Z: 14 24.114 2.129 0.935 0.778 0.923 0.462 CA 1.376 14 residues pruned to eliminate duplicates Z: 13 28.920 1.989 0.760 0.920 1.000 0.667 CB 1.680 13 residues pruned to eliminate duplicates Z: 19 30.534 2.130 0.889 0.861 0.889 0.556 CB 1.479 19 residues pruned to eliminate duplicates Z: 13 26.707 2.219 0.685 0.875 1.000 0.833 CA 1.501 13 residues pruned to eliminate duplicates Z: 16 16.590 1.939 0.299 0.732 0.933 0.800 CA 1.479 16 residues pruned to eliminate duplicates Z: 7 5.067 2.004 -0.225 0.598 0.833 0.667 CB 1.456 Z: 12 27.235 2.211 0.726 0.845 1.000 1.000 CA 1.600 12 residues pruned to eliminate duplicates Z: 110 80.715 2.267 0.923 0.657 0.936 0.596 CB 1.638 110 residues pruned to eliminate duplicates Z: 25 13.281 1.876 0.478 0.397 0.792 0.458 CB 1.377 19 residues pruned to eliminate duplicates Z: 75 54.719 2.167 1.020 0.618 0.824 0.541 CA 1.576 75 residues pruned to eliminate duplicates Z: 60 45.014 2.270 0.822 0.552 0.814 0.525 CA 1.656 60 residues pruned to eliminate duplicates Z: 11 22.107 2.325 0.732 0.846 0.900 0.800 CB 1.433 11 residues pruned to eliminate duplicates Z: 44 41.981 2.126 0.784 0.684 0.930 0.767 CA 1.532 52 residues pruned to eliminate duplicates Z: 17 27.907 1.898 0.999 0.942 1.000 0.812 CA 1.275 16 residues pruned to eliminate duplicates Z: 20 37.243 2.325 0.916 0.870 0.895 0.737 CA 1.564 20 residues pruned to eliminate duplicates Z: 8 8.004 1.529 0.266 0.875 1.000 0.714 CB 1.137 8 residues pruned to eliminate duplicates Z: 19 38.779 2.304 1.041 0.891 0.889 0.833 CA 1.572 19 residues pruned to eliminate duplicates Z: 21 43.127 2.236 1.128 0.876 1.000 0.600 CA 1.473 21 residues pruned to eliminate duplicates Z: 18 30.337 2.249 0.620 0.810 0.941 0.765 CA 1.638 18 residues pruned to eliminate duplicates Z: 15 23.344 2.002 0.926 0.777 0.929 0.429 CA 1.364 15 residues pruned to eliminate duplicates Z: 32 24.786 2.194 0.472 0.542 0.839 0.484 CA 1.578 32 residues pruned to eliminate duplicates Z: 16 15.698 1.942 0.114 0.876 1.000 0.933 CB 1.361 Z: 13 31.945 2.371 0.621 0.918 1.000 0.833 CA 1.692 13 residues pruned to eliminate duplicates Z: 97 71.261 2.128 0.989 0.695 0.938 0.615 CA 1.533 109 residues pruned to eliminate duplicates Z: 20 23.018 1.927 0.736 0.819 0.947 0.684 CB 1.263 20 residues pruned to eliminate duplicates Z: 41 31.059 2.144 0.662 0.551 0.875 0.575 CB 1.499 41 residues pruned to eliminate duplicates Z: 13 22.810 1.979 0.833 0.830 1.000 0.750 CA 1.365 13 residues pruned to eliminate duplicates Z: 48 42.011 2.291 0.852 0.523 0.830 0.489 CB 1.702 48 residues pruned to eliminate duplicates Z: 13 31.830 2.254 1.385 0.904 1.000 0.833 CB 1.217 13 residues pruned to eliminate duplicates Z: 11 22.539 1.998 0.925 0.897 1.000 0.800 CB 1.327 11 residues pruned to eliminate duplicates Z: 14 38.240 2.242 1.215 0.925 1.000 0.769 CB 1.499 14 residues pruned to eliminate duplicates Z: 9 15.230 1.886 0.689 0.892 0.875 0.750 N 1.387 9 residues pruned to eliminate duplicates Z: 101 71.342 2.213 0.902 0.674 0.920 0.580 CA 1.570 101 residues pruned to eliminate duplicates 6 0.542 1.581 -0.163 0.410 0.600 0.600 CB 0.336 ? Z: 12 19.212 2.030 0.742 0.855 0.909 0.636 CA 1.330 12 residues pruned to eliminate duplicates Z: 131 81.139 2.271 0.884 0.632 0.900 0.600 CA 1.632 128 residues pruned to eliminate duplicates Z: 12 18.269 1.939 0.543 0.886 1.000 0.818 CB 1.329 12 residues pruned to eliminate duplicates Z: 11 19.527 2.022 0.675 0.930 1.000 0.700 CB 1.275 11 residues pruned to eliminate duplicates Z: 13 20.112 1.839 0.799 0.879 1.000 0.583 CA 1.273 13 residues pruned to eliminate duplicates Z: 14 23.325 2.144 0.804 0.767 0.923 0.538 CA 1.430 14 residues pruned to eliminate duplicates Z: 76 51.143 2.177 0.904 0.601 0.867 0.453 CB 1.494 61 residues pruned to eliminate duplicates Z: 11 4.800 1.752 0.187 0.249 0.800 0.300 CB 1.219 Z: 9 24.689 2.497 0.703 0.889 0.875 0.875 CA 1.689 9 residues pruned to eliminate duplicates Z: 23 35.047 2.091 0.820 0.876 0.909 0.455 CA 1.570 23 residues pruned to eliminate duplicates Z: 15 21.575 2.139 0.459 0.734 0.929 0.857 CB 1.613 15 residues pruned to eliminate duplicates Z: 20 29.141 2.224 0.553 0.896 1.000 0.789 CA 1.386 20 residues pruned to eliminate duplicates Z: 12 24.410 2.174 1.142 0.923 0.909 0.727 CB 1.222 12 residues pruned to eliminate duplicates Z: 131 78.291 2.275 0.779 0.647 0.892 0.623 CA 1.658 131 residues pruned to eliminate duplicates Z: 9 15.204 1.953 0.350 0.879 1.000 0.625 CB 1.478 7 residues pruned to eliminate duplicates Z: 15 26.816 1.912 1.055 0.921 1.000 0.571 CA 1.284 16 residues pruned to eliminate duplicates Z: 40 39.014 2.398 0.698 0.509 0.949 0.641 CA 1.603 41 residues pruned to eliminate duplicates Z: 85 69.318 2.209 0.991 0.663 0.917 0.560 CA 1.612 85 residues pruned to eliminate duplicates Z: 14 22.137 1.848 0.684 0.887 1.000 0.692 CB 1.422 14 residues pruned to eliminate duplicates Z: 12 24.444 2.170 0.787 0.847 0.909 0.636 CB 1.552 12 residues pruned to eliminate duplicates Z: 6 5.078 1.764 0.217 0.563 0.800 0.600 CB 1.243 6 residues pruned to eliminate duplicates Z: 20 20.227 1.950 0.617 0.812 0.842 0.737 CB 1.332 20 residues pruned to eliminate duplicates Z: 12 12.993 1.697 0.419 0.762 1.000 0.636 CB 1.289 Z: 13 26.520 2.268 0.532 0.944 1.000 1.000 CA 1.526 13 residues pruned to eliminate duplicates Z: 153 93.262 2.326 0.911 0.633 0.908 0.599 CB 1.654 129 residues pruned to eliminate duplicates Z: 12 9.136 1.805 0.234 0.472 0.909 0.636 CB 1.400 Z: 54 42.207 2.112 0.955 0.527 0.925 0.547 CB 1.479 48 residues pruned to eliminate duplicates Z: 18 13.677 1.809 0.185 0.820 0.941 0.765 CB 1.246 16 residues pruned to eliminate duplicates Z: 12 15.183 1.794 0.455 0.842 1.000 0.818 CB 1.307 12 residues pruned to eliminate duplicates Z: 10 22.414 2.326 0.679 0.894 1.000 0.889 CB 1.372 10 residues pruned to eliminate duplicates Z: 10 11.702 1.879 0.423 0.892 1.000 1.000 CA 1.049 Z: 18 18.492 1.864 0.669 0.808 0.941 0.471 CB 1.171 18 residues pruned to eliminate duplicates Z: 7 12.462 1.849 0.554 0.862 1.000 0.667 CB 1.300 7 residues pruned to eliminate duplicates Z: 22 31.081 2.169 0.578 0.858 0.952 0.571 CA 1.533 22 residues pruned to eliminate duplicates Z: 12 18.692 1.814 0.485 0.898 1.000 0.727 CB 1.497 12 residues pruned to eliminate duplicates Z: 16 22.552 1.928 0.777 0.900 1.000 0.733 CB 1.215 17 residues pruned to eliminate duplicates Z: 15 20.273 2.169 0.673 0.710 0.786 0.571 CB 1.570 15 residues pruned to eliminate duplicates Z: 10 19.926 1.966 0.502 0.878 1.000 0.889 CB 1.633 10 residues pruned to eliminate duplicates Z: 14 22.708 2.241 0.543 0.831 0.923 0.846 CA 1.482 14 residues pruned to eliminate duplicates Z: 19 40.722 2.306 1.086 0.872 0.944 0.667 CA 1.540 19 residues pruned to eliminate duplicates Z: 15 23.715 2.000 0.647 0.859 1.000 0.929 CA 1.416 15 residues pruned to eliminate duplicates Z: 13 21.944 2.250 0.371 0.926 1.000 0.917 CA 1.440 13 residues pruned to eliminate duplicates Z: 10 33.383 2.341 1.012 0.886 1.000 0.667 CB 1.704 10 residues pruned to eliminate duplicates Z: 11 23.406 2.105 0.684 0.906 1.000 0.500 CB 1.485 11 residues pruned to eliminate duplicates Z: 62 42.202 2.218 0.673 0.623 0.902 0.590 CB 1.438 65 residues pruned to eliminate duplicates Z: 20 25.433 2.252 0.537 0.825 0.895 0.737 CA 1.422 20 residues pruned to eliminate duplicates Z: 9 5.055 1.629 0.276 0.742 0.625 0.625 CA 1.107 9 residues pruned to eliminate duplicates Z: 14 21.612 1.946 0.952 0.908 0.923 0.846 CA 1.214 14 residues pruned to eliminate duplicates Z: 10 16.520 1.998 0.610 0.874 0.889 0.667 CB 1.401 10 residues pruned to eliminate duplicates Z: 11 16.535 1.919 0.523 0.790 1.000 0.700 CB 1.387 11 residues pruned to eliminate duplicates Z: 17 23.444 1.856 0.840 0.837 1.000 0.625 CB 1.284 17 residues pruned to eliminate duplicates Z: 127 80.924 2.288 0.820 0.662 0.913 0.698 CA 1.633 127 residues pruned to eliminate duplicates Z: 12 26.873 2.279 0.527 0.922 1.000 0.909 CA 1.637 12 residues pruned to eliminate duplicates Z: 21 34.796 2.200 0.938 0.829 1.000 0.550 CA 1.373 21 residues pruned to eliminate duplicates Z: 12 24.974 2.017 1.070 0.917 1.000 0.727 CA 1.273 12 residues pruned to eliminate duplicates Z: 22 26.474 2.175 0.577 0.777 0.905 0.667 CA 1.458 22 residues pruned to eliminate duplicates Z: 9 15.613 2.029 0.544 0.855 1.000 0.875 CB 1.300 9 residues pruned to eliminate duplicates Z: 22 17.730 1.922 0.696 0.560 0.810 0.524 CB 1.383 23 residues pruned to eliminate duplicates Z: 10 16.713 1.936 0.740 0.877 0.778 0.778 N 1.544 10 residues pruned to eliminate duplicates Z: 63 28.481 2.038 0.657 0.467 0.839 0.484 CB 1.321 43 residues pruned to eliminate duplicates Z: 19 37.068 2.277 0.922 0.907 0.889 0.667 CA 1.596 19 residues pruned to eliminate duplicates Z: 19 27.627 2.083 0.603 0.849 0.944 0.778 CA 1.530 19 residues pruned to eliminate duplicates Z: 50 41.787 2.135 0.895 0.542 0.918 0.653 CB 1.542 48 residues pruned to eliminate duplicates Z: 12 23.824 2.288 0.900 0.838 0.909 0.727 CB 1.358 12 residues pruned to eliminate duplicates Z: 7 8.705 1.828 0.237 0.763 1.000 0.500 CA 1.245 7 residues pruned to eliminate duplicates Z: 21 14.071 1.845 0.512 0.522 0.950 0.600 CB 1.162 Z: 12 16.087 1.995 0.434 0.890 1.000 0.909 CB 1.219 12 residues pruned to eliminate duplicates Z: 18 28.482 2.176 0.926 0.818 0.765 0.647 CA 1.636 18 residues pruned to eliminate duplicates Z: 11 22.382 2.058 0.686 0.920 1.000 0.600 CB 1.437 11 residues pruned to eliminate duplicates Z: 58 53.531 2.292 0.900 0.595 0.912 0.596 CB 1.630 58 residues pruned to eliminate duplicates Z: 13 30.499 2.217 0.937 0.838 1.000 0.583 CA 1.532 13 residues pruned to eliminate duplicates Z: 14 22.767 1.863 0.756 0.868 1.000 0.769 CB 1.412 14 residues pruned to eliminate duplicates Z: 8 9.718 1.656 0.374 0.867 1.000 0.714 CB 1.181 8 residues pruned to eliminate duplicates Z: 12 11.900 1.764 0.563 0.845 0.909 0.727 CA 1.064 9 residues pruned to eliminate duplicates Z: 11 9.122 1.868 0.558 0.454 0.700 0.500 CA 1.485 11 residues pruned to eliminate duplicates Z: 53 51.619 2.095 0.990 0.719 0.904 0.577 CA 1.559 56 residues pruned to eliminate duplicates Z: 11 22.208 2.010 0.742 0.901 0.900 0.800 CB 1.591 11 residues pruned to eliminate duplicates Z: 12 17.282 1.825 0.939 0.875 0.909 0.727 CA 1.178 33 residues pruned to eliminate duplicates Z: 20 17.933 1.825 0.590 0.642 0.947 0.579 CB 1.310 24 residues pruned to eliminate duplicates Z: 14 39.662 2.273 1.280 0.928 0.923 0.692 CB 1.611 14 residues pruned to eliminate duplicates Z: 13 26.622 2.084 0.670 0.896 1.000 0.750 CA 1.583 13 residues pruned to eliminate duplicates Z: 27 31.309 2.237 0.818 0.532 0.923 0.769 CB 1.586 27 residues pruned to eliminate duplicates Z: 15 23.676 1.974 0.829 0.868 0.929 0.429 CB 1.380 15 residues pruned to eliminate duplicates Z: 98 73.818 2.254 0.898 0.668 0.907 0.629 CA 1.653 98 residues pruned to eliminate duplicates Z: 15 26.552 1.976 0.808 0.817 1.000 0.571 CA 1.508 15 residues pruned to eliminate duplicates Z: 13 25.145 1.931 1.114 0.921 0.917 0.750 CA 1.365 13 residues pruned to eliminate duplicates Z: 13 22.690 2.399 0.550 0.807 0.917 0.833 CB 1.470 13 residues pruned to eliminate duplicates Z: 13 15.691 1.864 0.634 0.864 1.000 0.750 CB 1.091 13 residues pruned to eliminate duplicates Z: 14 17.079 1.895 0.252 0.898 1.000 0.846 CB 1.428 14 residues pruned to eliminate duplicates Z: 14 24.919 2.172 0.475 0.873 1.000 0.923 CA 1.571 14 residues pruned to eliminate duplicates Z: 18 18.025 2.133 0.556 0.431 0.882 0.471 CA 1.604 18 residues pruned to eliminate duplicates Z: 14 7.859 1.729 0.749 0.249 0.846 0.462 CB 1.137 Z: 6 4.498 1.565 0.632 0.500 1.000 0.600 C 0.788 Z: 6 6.544 1.782 0.323 0.745 1.000 0.800 CA 0.997 6 residues pruned to eliminate duplicates Z: 13 46.586 2.409 1.194 0.914 1.000 0.750 CB 1.799 13 residues pruned to eliminate duplicates Z: 43 37.843 2.152 0.690 0.597 0.976 0.643 CB 1.500 43 residues pruned to eliminate duplicates Z: 11 25.031 2.129 0.702 0.928 1.000 0.900 CA 1.530 11 residues pruned to eliminate duplicates Z: 17 22.451 1.912 0.678 0.889 0.875 0.625 CB 1.439 17 residues pruned to eliminate duplicates Z: 13 13.342 1.686 0.671 0.830 0.917 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 12 23.958 1.991 1.112 0.888 0.818 0.818 CB 1.513 12 residues pruned to eliminate duplicates Z: 12 18.427 1.944 0.476 0.857 1.000 0.909 CA 1.426 12 residues pruned to eliminate duplicates Z: 20 26.995 1.926 0.880 0.864 1.000 0.474 CB 1.254 16 residues pruned to eliminate duplicates Z: 16 22.999 1.955 0.906 0.879 0.867 0.467 CA 1.333 16 residues pruned to eliminate duplicates Z: 116 71.604 2.227 0.833 0.632 0.896 0.609 CB 1.613 116 residues pruned to eliminate duplicates Z: 20 27.471 1.920 0.802 0.879 1.000 0.895 CB 1.321 19 residues pruned to eliminate duplicates Z: 21 24.812 2.212 0.414 0.878 1.000 0.750 CA 1.286 21 residues pruned to eliminate duplicates Z: 47 29.272 2.047 0.733 0.493 0.870 0.522 CB 1.409 47 residues pruned to eliminate duplicates Z: 111 74.870 2.246 0.972 0.645 0.873 0.636 CB 1.613 111 residues pruned to eliminate duplicates Z: 20 30.021 2.274 0.800 0.877 0.895 0.737 CA 1.366 20 residues pruned to eliminate duplicates Z: 19 28.011 1.904 1.108 0.806 0.944 0.833 CB 1.333 21 residues pruned to eliminate duplicates Z: 22 28.338 2.169 0.620 0.851 0.952 0.667 CA 1.368 22 residues pruned to eliminate duplicates Z: 8 6.019 1.806 0.602 0.468 0.857 0.857 CA 0.948 Z: 12 14.991 1.933 0.295 0.889 1.000 0.909 CA 1.300 12 residues pruned to eliminate duplicates Z: 7 4.588 1.743 0.305 0.396 0.667 0.333 CA 1.379 Z: 31 22.638 1.968 0.769 0.566 0.833 0.600 CB 1.336 31 residues pruned to eliminate duplicates Z: 60 43.826 2.301 0.562 0.493 0.949 0.678 CB 1.684 60 residues pruned to eliminate duplicates Z: 13 30.091 2.246 1.222 0.902 0.917 0.333 CB 1.355 13 residues pruned to eliminate duplicates Z: 14 18.380 2.137 0.557 0.778 0.846 0.846 CA 1.417 14 residues pruned to eliminate duplicates Z: 17 17.487 1.813 0.551 0.907 1.000 0.812 CA 1.105 17 residues pruned to eliminate duplicates Z: 12 24.623 1.988 0.709 0.894 1.000 0.727 CA 1.568 12 residues pruned to eliminate duplicates Z: 15 17.361 1.987 0.677 0.868 0.786 0.571 CA 1.295 15 residues pruned to eliminate duplicates Z: 16 18.883 1.938 0.355 0.876 1.000 0.867 CA 1.350 16 residues pruned to eliminate duplicates Z: 23 33.786 2.172 0.877 0.818 0.818 0.409 CA 1.639 23 residues pruned to eliminate duplicates Z: 10 23.826 1.994 0.792 0.902 1.000 0.889 CB 1.586 10 residues pruned to eliminate duplicates Z: 10 8.636 1.857 0.445 0.475 0.889 0.333 N 1.238 17 residues pruned to eliminate duplicates Z: 6 9.327 1.844 0.455 0.598 1.000 0.800 N 1.416 Z: 12 25.276 2.249 0.683 0.807 1.000 0.636 CA 1.541 12 residues pruned to eliminate duplicates Z: 14 24.443 2.081 0.755 0.860 1.000 0.769 CA 1.364 14 residues pruned to eliminate duplicates Z: 9 10.736 1.781 0.209 0.879 1.000 0.750 CB 1.278 Z: 14 14.940 1.958 0.176 0.910 1.000 0.923 CB 1.276 14 residues pruned to eliminate duplicates Z: 49 36.222 2.055 0.834 0.506 0.938 0.667 CB 1.471 49 residues pruned to eliminate duplicates Z: 76 31.897 1.898 0.615 0.643 0.907 0.587 CB 1.160 52 residues pruned to eliminate duplicates Z: 13 22.703 2.076 0.479 0.892 1.000 0.833 CB 1.533 13 residues pruned to eliminate duplicates Z: 6 3.756 1.937 -0.418 0.545 1.000 0.600 CB 1.426 Z: 11 21.783 2.060 0.461 0.910 1.000 0.700 CA 1.623 11 residues pruned to eliminate duplicates Z: 18 16.465 1.862 0.627 0.812 0.941 0.647 CB 1.068 18 residues pruned to eliminate duplicates Z: 54 35.627 2.228 0.662 0.507 0.868 0.642 CA 1.512 54 residues pruned to eliminate duplicates Z: 21 29.856 2.110 0.876 0.854 0.900 0.400 CA 1.384 21 residues pruned to eliminate duplicates Z: 7 14.711 2.079 0.467 0.875 1.000 0.667 CB 1.431 7 residues pruned to eliminate duplicates Z: 20 34.265 2.227 0.914 0.865 0.895 0.579 CA 1.510 20 residues pruned to eliminate duplicates Z: 8 6.296 1.704 -0.009 0.813 1.000 0.714 CB 1.074 8 residues pruned to eliminate duplicates Z: 6 5.322 1.800 -0.141 0.626 1.000 0.600 O 1.367 Z: 7 8.052 1.847 0.613 0.711 0.833 0.667 CB 1.093 7 residues pruned to eliminate duplicates Z: 17 34.146 2.100 0.789 0.907 1.000 0.438 CA 1.616 17 residues pruned to eliminate duplicates Z: 18 23.033 1.881 0.730 0.883 1.000 0.882 CA 1.241 18 residues pruned to eliminate duplicates Z: 11 20.144 1.997 0.740 0.911 1.000 0.500 CA 1.300 10 residues pruned to eliminate duplicates Z: 19 39.100 2.155 1.009 0.869 1.000 0.778 CA 1.555 19 residues pruned to eliminate duplicates Z: 12 25.157 2.195 1.154 0.887 0.909 0.818 CB 1.273 12 residues pruned to eliminate duplicates Z: 19 28.725 2.161 0.861 0.853 0.833 0.611 CB 1.494 19 residues pruned to eliminate duplicates Z: 10 12.995 1.926 0.805 0.339 1.000 0.778 CA 1.485 14 residues pruned to eliminate duplicates Z: 16 21.719 1.981 0.609 0.892 1.000 0.867 CA 1.264 16 residues pruned to eliminate duplicates Z: 13 25.928 2.135 0.908 0.819 1.000 0.750 CA 1.394 13 residues pruned to eliminate duplicates Z: 10 14.403 1.887 0.539 0.734 1.000 0.667 CA 1.340 10 residues pruned to eliminate duplicates Z: 17 13.027 1.731 0.577 0.832 0.938 0.750 CB 0.955 17 residues pruned to eliminate duplicates Z: 12 10.096 1.728 0.128 0.845 0.909 0.818 CB 1.277 12 residues pruned to eliminate duplicates Z: 11 18.323 2.172 0.869 0.544 1.000 0.600 CB 1.367 11 residues pruned to eliminate duplicates Z: 13 15.519 1.819 0.346 0.897 1.000 0.833 CA 1.310 13 residues pruned to eliminate duplicates Z: 16 17.872 2.014 0.875 0.484 0.800 0.533 CB 1.553 16 residues pruned to eliminate duplicates Z: 13 20.572 2.097 0.703 0.866 1.000 0.917 CA 1.217 13 residues pruned to eliminate duplicates Z: 7 5.993 1.658 0.771 0.472 0.833 0.667 CA 1.028 Z: 17 19.811 1.894 0.485 0.901 0.938 0.750 CA 1.341 17 residues pruned to eliminate duplicates Z: 17 15.590 1.852 0.429 0.912 0.875 0.875 CA 1.192 17 residues pruned to eliminate duplicates Z: 27 32.261 2.107 0.642 0.687 0.962 0.654 CB 1.603 27 residues pruned to eliminate duplicates Z: 12 14.675 1.893 0.593 0.903 1.000 0.909 CA 1.045 12 residues pruned to eliminate duplicates Z: 17 19.634 1.939 0.518 0.870 1.000 0.875 CA 1.218 17 residues pruned to eliminate duplicates Z: 22 18.447 2.020 0.480 0.684 0.905 0.667 CB 1.257 22 residues pruned to eliminate duplicates Z: 20 23.490 2.208 0.767 0.567 0.842 0.526 CB 1.537 20 residues pruned to eliminate duplicates Z: 8 6.316 1.709 -0.079 0.877 1.000 0.714 CB 1.101 8 residues pruned to eliminate duplicates Z: 8 6.716 1.504 0.787 0.745 0.857 0.857 CA 0.885 8 residues pruned to eliminate duplicates Z: 18 30.154 1.918 1.166 0.890 0.941 0.529 CB 1.347 18 residues pruned to eliminate duplicates Z: 31 27.087 2.176 0.769 0.535 0.767 0.567 CA 1.618 31 residues pruned to eliminate duplicates Z: 12 27.336 2.285 0.993 0.842 0.909 0.455 CA 1.483 12 residues pruned to eliminate duplicates Z: 13 28.673 2.381 0.602 0.928 1.000 0.917 CA 1.519 13 residues pruned to eliminate duplicates Z: 8 11.733 1.976 0.514 0.900 0.857 0.714 CB 1.235 8 residues pruned to eliminate duplicates Z: 12 8.950 1.919 0.783 0.344 0.727 0.545 N 1.285 12 residues pruned to eliminate duplicates Z: 17 20.887 1.930 0.448 0.884 1.000 0.938 CA 1.350 17 residues pruned to eliminate duplicates Z: 21 36.501 2.168 0.939 0.846 0.950 0.550 CA 1.518 21 residues pruned to eliminate duplicates Z: 6 7.868 1.312 1.256 0.870 1.000 0.800 C 0.868 Z: 20 10.065 1.993 0.617 0.244 0.737 0.368 CA 1.307 20 residues pruned to eliminate duplicates Z: 10 9.234 1.728 0.236 0.833 0.889 0.333 CB 1.217 10 residues pruned to eliminate duplicates Z: 12 19.012 1.807 0.873 0.856 0.909 0.818 CA 1.374 12 residues pruned to eliminate duplicates Z: 67 53.548 2.268 0.806 0.535 0.939 0.652 CB 1.656 67 residues pruned to eliminate duplicates Z: 128 69.534 2.222 0.705 0.666 0.929 0.622 CB 1.504 128 residues pruned to eliminate duplicates Z: 7 6.142 1.841 -0.088 0.641 1.000 0.500 CA 1.309 7 residues pruned to eliminate duplicates Z: 17 22.513 1.933 0.645 0.858 1.000 0.875 CA 1.303 17 residues pruned to eliminate duplicates Z: 19 7.145 1.754 0.283 0.305 0.778 0.611 CB 1.196 19 residues pruned to eliminate duplicates Z: 15 20.874 1.785 0.828 0.896 1.000 0.714 CB 1.225 15 residues pruned to eliminate duplicates Z: 9 11.059 1.693 0.507 0.715 1.000 0.500 CA 1.261 9 residues pruned to eliminate duplicates Z: 22 43.054 2.227 0.910 0.839 1.000 0.762 CA 1.650 22 residues pruned to eliminate duplicates Z: 14 23.625 2.005 0.696 0.820 1.000 0.462 CB 1.459 14 residues pruned to eliminate duplicates Z: 13 28.049 2.160 0.792 0.824 1.000 0.667 CA 1.579 13 residues pruned to eliminate duplicates Z: 8 6.965 1.706 0.386 0.657 1.000 0.857 CB 0.962 8 residues pruned to eliminate duplicates Z: 49 28.857 1.949 0.713 0.503 0.938 0.583 CB 1.327 51 residues pruned to eliminate duplicates Z: 14 16.270 1.856 0.652 0.818 0.846 0.769 CA 1.319 14 residues pruned to eliminate duplicates Z: 12 18.825 1.854 0.439 0.914 1.000 0.727 CB 1.505 12 residues pruned to eliminate duplicates Z: 19 41.257 2.194 0.977 0.914 1.000 0.778 CA 1.586 19 residues pruned to eliminate duplicates Z: 13 19.487 1.879 0.972 0.874 0.833 0.250 CA 1.326 13 residues pruned to eliminate duplicates Z: 12 18.298 1.962 0.485 0.892 1.000 0.636 CA 1.360 12 residues pruned to eliminate duplicates Z: 12 25.485 2.192 0.639 0.908 1.000 0.909 CB 1.520 12 residues pruned to eliminate duplicates Z: 7 4.986 1.823 0.885 0.566 0.500 0.500 CB 1.111 6 residues pruned to eliminate duplicates Z: 12 15.968 1.945 0.658 0.863 0.909 0.727 CA 1.205 12 residues pruned to eliminate duplicates Z: 11 6.231 1.604 0.205 0.653 0.900 0.600 CB 0.983 11 residues pruned to eliminate duplicates Z: 9 8.709 1.763 0.292 0.844 0.875 0.875 CB 1.149 9 residues pruned to eliminate duplicates Z: 18 39.467 2.330 1.022 0.853 0.941 0.471 CB 1.596 18 residues pruned to eliminate duplicates Z: 10 13.743 2.005 0.203 0.881 1.000 0.889 CA 1.375 10 residues pruned to eliminate duplicates Z: 13 34.052 2.297 1.142 0.909 1.000 0.833 CB 1.418 13 residues pruned to eliminate duplicates Z: 11 11.152 1.729 0.563 0.789 0.800 0.700 N 1.265 11 residues pruned to eliminate duplicates Z: 68 49.351 2.267 0.755 0.529 0.896 0.597 CB 1.645 74 residues pruned to eliminate duplicates Z: 8 13.970 2.118 0.366 0.838 0.857 0.714 CB 1.592 8 residues pruned to eliminate duplicates Z: 9 6.726 1.715 0.225 0.447 1.000 0.375 N 1.194 9 residues pruned to eliminate duplicates Z: 6 3.561 1.385 1.053 0.371 0.800 0.600 C 0.804 Z: 17 22.436 2.226 0.424 0.804 0.875 0.875 CA 1.551 17 residues pruned to eliminate duplicates Z: 13 12.612 1.681 0.336 0.925 1.000 0.833 CA 1.138 13 residues pruned to eliminate duplicates Z: 12 10.978 1.805 0.291 0.767 0.818 0.636 CB 1.370 12 residues pruned to eliminate duplicates Z: 17 30.005 2.244 0.871 0.879 0.812 0.688 CA 1.595 17 residues pruned to eliminate duplicates Z: 12 15.023 1.955 0.295 0.901 1.000 0.909 CB 1.278 12 residues pruned to eliminate duplicates Z: 11 24.190 2.354 0.544 0.912 0.900 0.900 CA 1.656 11 residues pruned to eliminate duplicates Z: 7 17.942 1.772 1.135 0.824 1.000 0.833 CA 1.463 7 residues pruned to eliminate duplicates Z: 22 46.272 2.315 0.952 0.880 0.952 0.762 CA 1.700 22 residues pruned to eliminate duplicates Z: 13 25.518 2.161 0.731 0.865 1.000 0.750 CB 1.443 13 residues pruned to eliminate duplicates Z: 12 17.351 1.925 0.711 0.921 1.000 0.727 CB 1.117 12 residues pruned to eliminate duplicates Z: 6 4.843 1.911 0.167 0.688 0.800 0.600 CB 1.022 6 residues pruned to eliminate duplicates Z: 20 25.692 1.946 0.574 0.866 1.000 0.789 CA 1.408 20 residues pruned to eliminate duplicates Z: 14 30.561 2.183 0.683 0.896 1.000 0.846 CB 1.653 14 residues pruned to eliminate duplicates Z: 11 12.806 1.904 0.296 0.890 1.000 1.000 CA 1.180 11 residues pruned to eliminate duplicates Z: 21 41.224 2.247 0.998 0.893 1.000 0.700 CA 1.474 21 residues pruned to eliminate duplicates Z: 77 39.679 2.053 0.745 0.544 0.895 0.539 CB 1.359 77 residues pruned to eliminate duplicates Z: 13 16.186 1.866 0.614 0.892 1.000 0.667 CA 1.115 13 residues pruned to eliminate duplicates Z: 18 37.182 2.396 0.699 0.847 0.941 0.765 CA 1.747 18 residues pruned to eliminate duplicates Z: 6 5.019 1.729 -0.194 0.597 1.000 0.600 C 1.468 Z: 9 9.076 1.542 0.316 0.865 1.000 0.500 CB 1.160 Z: 11 3.555 1.642 -0.010 0.253 0.800 0.500 CB 1.148 Z: 31 22.342 1.916 0.681 0.528 0.933 0.667 CA 1.320 29 residues pruned to eliminate duplicates Z: 12 18.013 1.982 0.771 0.897 1.000 0.909 CA 1.107 12 residues pruned to eliminate duplicates Z: 12 19.779 1.955 0.843 0.900 1.000 0.818 CA 1.183 12 residues pruned to eliminate duplicates Z: 47 51.388 2.276 1.039 0.617 0.935 0.478 CB 1.563 47 residues pruned to eliminate duplicates Z: 12 19.174 2.025 0.551 0.897 1.000 0.818 CA 1.318 12 residues pruned to eliminate duplicates Z: 30 27.053 2.306 0.588 0.441 0.931 0.586 CA 1.567 30 residues pruned to eliminate duplicates Z: 19 21.846 1.855 0.840 0.837 0.944 0.611 CB 1.194 19 residues pruned to eliminate duplicates Z: 48 22.099 1.864 0.489 0.535 0.915 0.617 CB 1.226 48 residues pruned to eliminate duplicates Z: 6 2.321 1.323 0.018 0.361 1.000 0.600 CA 0.894 Z: 11 18.703 1.970 0.496 0.885 0.900 0.700 CB 1.609 11 residues pruned to eliminate duplicates Z: 8 4.833 1.788 0.770 0.212 0.714 0.571 CA 1.135 8 residues pruned to eliminate duplicates Z: 14 19.381 1.848 0.652 0.885 1.000 0.846 CB 1.272 14 residues pruned to eliminate duplicates Z: 14 8.401 1.825 0.466 0.382 0.846 0.769 CB 1.167 14 residues pruned to eliminate duplicates Z: 65 49.798 2.258 0.866 0.527 0.891 0.547 CB 1.615 65 residues pruned to eliminate duplicates Z: 43 35.527 1.895 0.914 0.639 0.929 0.452 CB 1.429 43 residues pruned to eliminate duplicates Z: 8 9.653 1.882 0.308 0.895 0.857 0.857 CB 1.240 8 residues pruned to eliminate duplicates Z: 19 30.001 2.201 0.672 0.823 0.944 0.667 CB 1.539 19 residues pruned to eliminate duplicates Z: 79 41.062 2.222 0.762 0.475 0.769 0.564 CB 1.583 85 residues pruned to eliminate duplicates Z: 15 19.897 2.038 0.835 0.729 0.929 0.500 CA 1.246 15 residues pruned to eliminate duplicates Z: 23 9.523 1.827 0.214 0.464 0.909 0.591 CB 1.044 14 residues pruned to eliminate duplicates Z: 24 13.732 1.826 0.497 0.523 0.783 0.522 CB 1.309 15 residues pruned to eliminate duplicates Z: 66 48.302 2.269 0.799 0.511 0.908 0.600 CB 1.599 66 residues pruned to eliminate duplicates Z: 13 26.747 2.158 0.899 0.857 1.000 0.667 CA 1.389 13 residues pruned to eliminate duplicates Z: 8 2.420 1.565 0.528 0.202 0.714 0.286 CB 0.763 Z: 10 15.541 1.871 0.494 0.855 1.000 0.889 CA 1.368 10 residues pruned to eliminate duplicates Z: 12 29.791 2.516 0.739 0.882 0.909 0.909 CB 1.634 12 residues pruned to eliminate duplicates Z: 36 25.617 2.118 0.861 0.532 0.857 0.457 CB 1.241 36 residues pruned to eliminate duplicates Z: 50 34.519 2.135 0.583 0.510 0.939 0.633 CB 1.538 50 residues pruned to eliminate duplicates Z: 12 18.306 1.988 0.510 0.917 0.909 0.909 CB 1.427 12 residues pruned to eliminate duplicates Z: 21 11.664 1.854 0.586 0.353 0.800 0.600 CB 1.300 21 residues pruned to eliminate duplicates Z: 70 53.944 2.104 0.840 0.709 0.913 0.725 CA 1.521 70 residues pruned to eliminate duplicates Z: 11 16.610 1.886 0.540 0.861 0.900 0.800 CB 1.477 11 residues pruned to eliminate duplicates Z: 85 47.358 2.105 0.767 0.564 0.881 0.655 CB 1.483 85 residues pruned to eliminate duplicates Z: 11 12.214 1.843 0.562 0.911 1.000 0.900 CA 0.951 11 residues pruned to eliminate duplicates Z: 6 14.213 2.036 0.615 0.864 1.000 0.800 CB 1.417 6 residues pruned to eliminate duplicates Z: 28 24.984 2.168 0.823 0.541 0.852 0.593 CB 1.372 28 residues pruned to eliminate duplicates Z: 20 17.216 1.941 0.548 0.824 0.789 0.632 CA 1.258 20 residues pruned to eliminate duplicates Z: 10 18.395 2.017 0.672 0.827 1.000 0.667 CB 1.370 10 residues pruned to eliminate duplicates Z: 32 20.216 1.916 0.726 0.409 0.871 0.548 CA 1.386 32 residues pruned to eliminate duplicates Z: 7 4.857 1.835 0.476 0.391 0.833 0.500 CB 0.986 Z: 9 11.213 1.636 0.648 0.897 1.000 1.000 CB 1.052 9 residues pruned to eliminate duplicates Z: 14 20.700 1.907 0.442 0.901 1.000 0.923 CB 1.490 14 residues pruned to eliminate duplicates Z: 36 20.723 2.019 0.528 0.480 0.800 0.600 CB 1.448 36 residues pruned to eliminate duplicates Z: 14 40.510 2.226 1.153 0.915 1.000 0.846 CB 1.657 14 residues pruned to eliminate duplicates Z: 10 22.759 2.289 0.874 0.791 0.889 0.556 CA 1.542 10 residues pruned to eliminate duplicates Z: 22 40.842 2.260 0.823 0.855 1.000 0.667 CA 1.597 22 residues pruned to eliminate duplicates Z: 22 14.087 1.892 0.562 0.399 0.857 0.429 CB 1.349 22 residues pruned to eliminate duplicates Z: 14 22.624 2.132 0.371 0.859 1.000 0.923 CB 1.580 14 residues pruned to eliminate duplicates Z: 8 5.221 1.768 0.372 0.383 0.714 0.571 CB 1.290 8 residues pruned to eliminate duplicates Z: 7 6.894 1.737 0.015 0.873 1.000 0.500 CB 1.163 7 residues pruned to eliminate duplicates Z: 11 8.284 1.752 0.488 0.620 0.700 0.200 CA 1.281 11 residues pruned to eliminate duplicates Z: 6 8.763 1.733 0.396 0.784 1.000 0.800 CB 1.261 Z: 29 10.856 1.869 0.195 0.406 0.929 0.607 CB 1.092 30 residues pruned to eliminate duplicates Z: 17 25.712 1.939 0.985 0.874 0.938 0.562 CB 1.296 17 residues pruned to eliminate duplicates Z: 27 39.812 2.315 0.753 0.690 0.923 0.615 CB 1.751 27 residues pruned to eliminate duplicates Z: 27 17.665 1.784 0.444 0.686 0.923 0.615 CB 1.229 27 residues pruned to eliminate duplicates Z: 53 48.797 2.280 0.575 0.757 0.962 0.731 CA 1.559 39 residues pruned to eliminate duplicates Z: 18 14.143 1.937 0.541 0.383 0.882 0.471 CB 1.474 18 residues pruned to eliminate duplicates Z: 10 13.189 1.835 0.466 0.736 1.000 0.556 CA 1.322 10 residues pruned to eliminate duplicates Z: 27 27.269 1.861 0.819 0.682 0.962 0.615 CA 1.391 25 residues pruned to eliminate duplicates Z: 53 53.925 2.250 0.839 0.688 0.942 0.750 CB 1.614 53 residues pruned to eliminate duplicates Z: 13 24.480 2.145 0.532 0.908 1.000 0.917 CA 1.528 13 residues pruned to eliminate duplicates Z: 79 69.852 2.259 0.975 0.689 0.949 0.628 CA 1.572 79 residues pruned to eliminate duplicates Z: 55 62.195 2.254 0.912 0.737 0.944 0.667 CA 1.681 55 residues pruned to eliminate duplicates Z: 20 18.765 1.887 0.715 0.806 0.842 0.526 CB 1.210 20 residues pruned to eliminate duplicates Z: 15 7.846 1.699 0.590 0.307 0.714 0.500 N 1.347 15 residues pruned to eliminate duplicates Z: 6 2.890 1.455 0.599 0.526 0.600 0.600 C 0.903 Z: 19 14.928 1.978 0.742 0.270 0.889 0.722 CA 1.493 19 residues pruned to eliminate duplicates Z: 13 10.920 1.750 0.258 0.784 0.917 0.750 CA 1.217 13 residues pruned to eliminate duplicates Z: 27 38.659 2.309 1.233 0.656 0.885 0.462 CB 1.437 27 residues pruned to eliminate duplicates Z: 166 75.351 2.164 0.931 0.582 0.909 0.521 CB 1.427 167 residues pruned to eliminate duplicates Z: 11 16.128 1.878 0.536 0.862 0.900 0.700 CA 1.443 11 residues pruned to eliminate duplicates Z: 32 16.393 1.878 0.538 0.579 0.871 0.452 CB 1.085 32 residues pruned to eliminate duplicates Z: 47 45.167 2.258 0.832 0.624 0.935 0.587 CB 1.532 47 residues pruned to eliminate duplicates Z: 65 42.020 2.073 0.773 0.547 0.953 0.594 CB 1.432 64 residues pruned to eliminate duplicates Z: 15 24.998 1.953 0.739 0.864 0.929 0.643 CB 1.553 15 residues pruned to eliminate duplicates Z: 30 13.273 1.838 0.412 0.385 0.862 0.517 CB 1.245 30 residues pruned to eliminate duplicates Z: 17 20.405 1.912 0.652 0.858 0.938 0.688 CB 1.269 17 residues pruned to eliminate duplicates Z: 13 10.645 1.550 0.554 0.753 0.917 0.667 CA 1.111 13 residues pruned to eliminate duplicates Z: 34 37.726 2.286 0.950 0.548 0.879 0.576 CB 1.599 34 residues pruned to eliminate duplicates Z: 10 6.251 1.681 0.405 0.335 0.889 0.444 CB 1.189 Z: 10 10.074 1.930 0.037 0.852 1.000 0.556 CB 1.241 10 residues pruned to eliminate duplicates Z: 67 53.681 2.314 0.881 0.504 0.894 0.652 CA 1.691 67 residues pruned to eliminate duplicates Z: 7 4.796 1.647 0.381 0.465 0.833 0.667 O 1.071 7 residues pruned to eliminate duplicates Z: 35 35.261 2.286 0.917 0.429 0.853 0.529 CB 1.742 35 residues pruned to eliminate duplicates 6 1.872 1.252 -0.052 0.469 0.800 0.400 O 0.909 ? Z: 156 92.967 2.215 1.016 0.627 0.897 0.542 CA 1.655 158 residues pruned to eliminate duplicates Z: 14 21.130 1.925 0.683 0.902 1.000 0.923 CA 1.290 14 residues pruned to eliminate duplicates Z: 11 5.897 1.760 0.827 0.299 0.700 0.400 CB 1.037 11 residues pruned to eliminate duplicates Z: 54 32.977 2.164 0.760 0.491 0.906 0.528 CB 1.325 54 residues pruned to eliminate duplicates Z: 13 23.236 1.844 0.876 0.921 1.000 0.833 CB 1.364 13 residues pruned to eliminate duplicates Z: 8 7.919 1.812 0.133 0.576 1.000 0.714 CB 1.355 8 residues pruned to eliminate duplicates Z: 6 3.265 1.403 0.657 0.664 0.800 0.800 CA 0.675 Z: 14 21.932 2.200 0.329 0.939 1.000 1.000 CB 1.446 14 residues pruned to eliminate duplicates Z: 6 5.025 1.599 0.469 0.580 0.800 0.400 CB 1.107 6 residues pruned to eliminate duplicates Z: 12 17.489 1.798 0.820 0.827 0.909 0.727 CA 1.336 12 residues pruned to eliminate duplicates Z: 6 2.687 1.376 0.551 0.298 0.800 0.400 CB 0.882 Z: 11 5.417 1.624 0.579 0.342 0.800 0.800 N 0.991 11 residues pruned to eliminate duplicates Z: 17 23.057 1.920 0.781 0.891 0.938 0.562 CB 1.292 17 residues pruned to eliminate duplicates Z: 28 26.462 2.293 0.730 0.563 0.741 0.407 CB 1.631 28 residues pruned to eliminate duplicates Z: 8 8.488 1.607 0.636 0.759 0.857 0.286 CA 1.130 8 residues pruned to eliminate duplicates Z: 9 7.204 1.837 0.518 0.683 0.625 0.625 CB 1.236 Z: 18 20.341 1.986 0.449 0.708 1.000 0.765 CB 1.419 18 residues pruned to eliminate duplicates Z: 128 77.744 2.233 0.920 0.654 0.882 0.614 CA 1.582 128 residues pruned to eliminate duplicates Z: 9 10.394 1.790 0.930 0.449 0.875 0.500 N 1.281 9 residues pruned to eliminate duplicates Z: 14 25.989 2.239 0.620 0.901 1.000 0.846 CB 1.419 14 residues pruned to eliminate duplicates Z: 79 62.433 2.284 0.831 0.632 0.897 0.603 CA 1.665 79 residues pruned to eliminate duplicates Z: 7 4.299 1.627 0.214 0.805 0.833 0.667 CB 0.816 Z: 20 28.167 2.221 0.850 0.833 0.842 0.684 CA 1.401 20 residues pruned to eliminate duplicates Z: 16 16.459 1.935 0.462 0.638 0.933 0.600 CB 1.414 16 residues pruned to eliminate duplicates Z: 9 9.706 1.494 0.934 0.789 1.000 0.750 C 0.921 9 residues pruned to eliminate duplicates Z: 22 20.810 1.974 0.676 0.723 0.905 0.714 CB 1.241 12 residues pruned to eliminate duplicates Z: 13 18.318 1.895 0.804 0.899 0.917 0.667 CA 1.207 13 residues pruned to eliminate duplicates Z: 10 20.103 1.898 0.881 0.917 1.000 0.889 CB 1.325 10 residues pruned to eliminate duplicates Z: 6 9.996 2.018 0.565 0.757 0.800 0.600 CA 1.408 15 residues pruned to eliminate duplicates Z: 13 9.496 1.796 0.520 0.664 0.750 0.667 CB 1.150 13 residues pruned to eliminate duplicates Z: 25 18.881 1.925 0.841 0.499 0.833 0.500 CA 1.306 25 residues pruned to eliminate duplicates Z: 13 44.108 2.310 1.387 0.929 1.000 0.917 CB 1.616 13 residues pruned to eliminate duplicates Z: 12 13.146 1.764 0.366 0.852 0.909 0.727 CA 1.338 11 residues pruned to eliminate duplicates Z: 15 5.206 1.631 0.272 0.470 0.714 0.500 CB 0.969 14 residues pruned to eliminate duplicates Z: 12 13.778 1.865 0.660 0.896 0.909 0.182 CB 1.057 12 residues pruned to eliminate duplicates Z: 8 9.204 1.898 0.746 0.583 0.857 0.714 CB 1.131 7 residues pruned to eliminate duplicates Z: 13 17.839 1.863 0.353 0.914 1.000 0.833 CB 1.445 13 residues pruned to eliminate duplicates Z: 52 43.099 2.260 0.691 0.575 0.941 0.588 CB 1.560 52 residues pruned to eliminate duplicates Z: 8 5.230 1.538 0.760 0.606 0.571 0.571 CA 1.155 8 residues pruned to eliminate duplicates Z: 15 8.572 1.869 0.679 0.313 0.857 0.714 CB 1.047 15 residues pruned to eliminate duplicates Z: 9 7.380 1.766 0.667 0.517 0.750 0.625 CB 1.163 9 residues pruned to eliminate duplicates Z: 12 17.393 1.969 0.629 0.892 1.000 0.727 CB 1.174 12 residues pruned to eliminate duplicates Z: 10 8.375 1.528 0.372 0.770 0.889 0.556 CB 1.179 9 residues pruned to eliminate duplicates Z: 8 4.586 1.402 0.831 0.538 0.714 0.714 CB 0.910 Z: 30 30.157 2.344 0.739 0.500 0.793 0.586 CA 1.733 30 residues pruned to eliminate duplicates Z: 8 15.224 1.868 0.597 0.796 1.000 0.714 CA 1.489 8 residues pruned to eliminate duplicates Z: 124 82.562 2.289 0.848 0.642 0.927 0.691 CA 1.662 124 residues pruned to eliminate duplicates Z: 18 12.517 1.771 0.180 0.776 1.000 0.588 CB 1.139 18 residues pruned to eliminate duplicates Z: 11 15.530 1.955 0.771 0.878 1.000 1.000 CA 1.030 11 residues pruned to eliminate duplicates Z: 16 25.115 1.922 0.897 0.921 1.000 0.467 CA 1.252 19 residues pruned to eliminate duplicates Z: 6 3.479 1.343 0.559 0.586 0.800 0.600 N 0.855 Z: 7 4.389 1.515 0.128 0.519 1.000 0.500 CB 1.029 Z: 8 8.150 1.699 0.292 0.844 1.000 0.714 CB 1.045 8 residues pruned to eliminate duplicates Z: 6 8.385 1.881 0.180 0.869 1.000 1.000 CB 1.234 6 residues pruned to eliminate duplicates Z: 11 21.632 2.125 0.460 0.930 1.000 1.000 CA 1.542 11 residues pruned to eliminate duplicates Z: 53 45.050 2.218 0.853 0.688 0.846 0.635 CB 1.513 53 residues pruned to eliminate duplicates Z: 12 25.170 1.949 0.882 0.912 1.000 0.818 CB 1.465 12 residues pruned to eliminate duplicates Z: 30 12.278 1.767 0.412 0.425 0.862 0.552 CB 1.146 29 residues pruned to eliminate duplicates Z: 50 50.259 2.276 0.733 0.647 0.939 0.592 CA 1.691 50 residues pruned to eliminate duplicates Z: 7 5.461 1.701 0.316 0.318 0.833 0.833 CA 1.461 7 residues pruned to eliminate duplicates Z: 14 6.361 1.702 0.474 0.317 0.769 0.308 CB 1.119 14 residues pruned to eliminate duplicates Z: 14 20.830 2.114 0.324 0.933 1.000 1.000 CA 1.441 14 residues pruned to eliminate duplicates Z: 12 14.703 1.827 0.381 0.853 1.000 0.636 CA 1.299 12 residues pruned to eliminate duplicates Z: 40 46.247 2.248 1.048 0.647 0.897 0.462 CB 1.562 40 residues pruned to eliminate duplicates Z: 20 17.369 1.966 0.811 0.493 0.789 0.526 CB 1.427 20 residues pruned to eliminate duplicates Z: 13 29.172 2.269 0.812 0.850 1.000 0.833 CB 1.517 13 residues pruned to eliminate duplicates Z: 18 25.193 2.322 0.631 0.665 0.765 0.706 CB 1.812 18 residues pruned to eliminate duplicates Z: 78 69.371 2.149 1.038 0.725 0.922 0.584 CA 1.598 72 residues pruned to eliminate duplicates Z: 10 9.952 1.482 0.394 0.858 1.000 0.667 CB 1.183 10 residues pruned to eliminate duplicates Z: 11 19.664 2.027 0.721 0.882 1.000 0.700 CB 1.289 11 residues pruned to eliminate duplicates Z: 6 2.747 1.572 0.317 0.298 0.800 0.400 N 0.929 Z: 7 2.783 1.478 0.238 0.404 0.667 0.500 N 1.030 Z: 54 48.979 2.203 0.801 0.676 0.906 0.642 CA 1.592 54 residues pruned to eliminate duplicates Z: 6 6.752 1.598 0.124 0.832 1.000 1.000 C 1.263 6 residues pruned to eliminate duplicates Z: 10 8.499 1.901 0.541 0.413 0.778 0.556 CB 1.362 10 residues pruned to eliminate duplicates Z: 11 13.890 1.643 0.862 0.873 0.900 0.500 CA 1.162 11 residues pruned to eliminate duplicates Z: 65 41.270 2.226 0.591 0.459 0.906 0.547 CA 1.675 75 residues pruned to eliminate duplicates Z: 9 14.434 1.984 0.469 0.760 1.000 0.625 CB 1.390 9 residues pruned to eliminate duplicates Z: 29 15.641 2.050 0.360 0.445 0.929 0.500 CB 1.208 29 residues pruned to eliminate duplicates Z: 10 14.473 1.825 0.541 0.825 1.000 0.667 CB 1.295 10 residues pruned to eliminate duplicates Z: 62 34.345 2.110 0.647 0.566 0.902 0.574 CB 1.316 62 residues pruned to eliminate duplicates Z: 13 17.518 1.876 0.604 0.897 1.000 0.667 CA 1.203 13 residues pruned to eliminate duplicates Z: 70 36.136 2.036 0.625 0.586 0.870 0.493 CB 1.393 71 residues pruned to eliminate duplicates Z: 8 6.679 1.565 1.015 0.474 0.857 0.571 CB 0.959 Z: 13 21.241 1.865 0.877 0.936 0.917 0.500 CA 1.330 13 residues pruned to eliminate duplicates Z: 29 28.487 2.210 0.779 0.414 0.893 0.429 CB 1.677 29 residues pruned to eliminate duplicates Z: 11 16.459 2.025 0.391 0.865 1.000 0.900 CA 1.354 11 residues pruned to eliminate duplicates Z: 10 10.044 1.678 1.152 0.362 0.889 0.333 CA 1.210 9 residues pruned to eliminate duplicates Z: 13 24.438 1.949 0.663 0.915 1.000 0.583 CA 1.539 13 residues pruned to eliminate duplicates Z: 23 19.475 1.929 0.398 0.733 1.000 0.818 CA 1.249 23 residues pruned to eliminate duplicates Z: 109 67.123 2.232 0.788 0.639 0.889 0.620 CA 1.599 109 residues pruned to eliminate duplicates Z: 25 16.159 1.822 0.671 0.659 0.792 0.625 CB 1.181 25 residues pruned to eliminate duplicates Z: 9 11.030 1.874 0.097 0.906 1.000 1.000 CA 1.349 9 residues pruned to eliminate duplicates Z: 18 27.954 2.156 0.928 0.856 0.882 0.412 CA 1.364 18 residues pruned to eliminate duplicates Z: 15 6.035 1.633 0.371 0.344 0.857 0.571 CB 0.995 14 residues pruned to eliminate duplicates Z: 16 24.215 1.955 0.840 0.915 0.867 0.600 CA 1.417 16 residues pruned to eliminate duplicates Z: 37 40.867 2.256 0.757 0.693 0.944 0.556 CA 1.525 35 residues pruned to eliminate duplicates Z: 6 5.556 2.077 0.046 0.572 0.800 0.600 CB 1.333 6 residues pruned to eliminate duplicates Z: 13 20.494 2.256 0.855 0.763 0.917 0.667 CB 1.221 13 residues pruned to eliminate duplicates Z: 69 54.128 2.121 0.788 0.712 0.941 0.691 CA 1.517 69 residues pruned to eliminate duplicates Z: 17 21.068 1.845 0.991 0.868 0.875 0.562 CA 1.198 17 residues pruned to eliminate duplicates Z: 149 91.880 2.228 0.920 0.664 0.939 0.608 CA 1.615 149 residues pruned to eliminate duplicates Z: 13 19.322 1.740 0.669 0.846 1.000 0.667 CB 1.427 13 residues pruned to eliminate duplicates Z: 26 27.746 2.219 0.673 0.508 0.920 0.600 CA 1.611 26 residues pruned to eliminate duplicates Z: 11 6.747 1.716 0.308 0.315 1.000 0.700 CA 1.166 11 residues pruned to eliminate duplicates Z: 29 31.859 2.123 0.909 0.517 0.893 0.750 CA 1.635 29 residues pruned to eliminate duplicates 8 0.681 1.590 0.708 0.210 0.714 0.286 CB 0.187 ? Z: 8 10.394 1.914 0.745 0.558 1.000 0.857 CB 1.112 8 residues pruned to eliminate duplicates Z: 9 6.396 1.644 0.325 0.428 1.000 0.625 CB 1.119 4 residues pruned to eliminate duplicates Z: 20 34.653 2.153 1.131 0.813 0.842 0.263 CB 1.566 20 residues pruned to eliminate duplicates Z: 62 53.338 2.169 0.941 0.650 0.885 0.508 CA 1.593 62 residues pruned to eliminate duplicates Z: 26 18.459 1.973 0.499 0.435 0.920 0.440 CB 1.452 26 residues pruned to eliminate duplicates Z: 12 15.619 1.867 0.672 0.854 0.909 0.273 CB 1.225 12 residues pruned to eliminate duplicates Z: 6 4.839 1.392 0.504 0.603 1.000 0.600 CA 0.937 Z: 8 7.597 1.674 0.694 0.814 1.000 0.857 CA 0.771 8 residues pruned to eliminate duplicates Z: 7 2.438 1.714 0.031 0.474 0.833 0.500 CB 0.694 Z: 34 17.190 1.836 0.678 0.526 0.758 0.394 CB 1.249 34 residues pruned to eliminate duplicates Z: 10 3.543 1.397 0.418 0.365 0.667 0.333 CB 1.034 4 residues pruned to eliminate duplicates Z: 14 11.813 1.721 0.687 0.545 0.846 0.538 CB 1.277 14 residues pruned to eliminate duplicates Z: 11 24.098 2.351 0.646 0.891 1.000 0.700 CB 1.415 11 residues pruned to eliminate duplicates Z: 6 6.748 1.958 0.502 0.527 0.800 0.800 CB 1.249 7 residues pruned to eliminate duplicates Z: 9 5.716 1.674 0.337 0.399 0.750 0.500 CB 1.340 6 residues pruned to eliminate duplicates Z: 14 8.945 1.845 0.971 0.417 0.692 0.385 CB 1.074 14 residues pruned to eliminate duplicates Z: 9 3.257 1.567 0.255 0.275 0.875 0.375 CB 0.863 Z: 26 42.851 2.346 1.277 0.673 0.920 0.520 CB 1.486 26 residues pruned to eliminate duplicates Z: 13 12.701 1.766 0.376 0.769 0.833 0.500 CA 1.427 13 residues pruned to eliminate duplicates Z: 16 22.025 2.006 0.767 0.909 0.867 0.600 CA 1.314 16 residues pruned to eliminate duplicates Z: 12 23.274 1.936 0.963 0.899 1.000 0.636 CA 1.320 12 residues pruned to eliminate duplicates Z: 30 27.870 2.137 0.837 0.572 0.828 0.517 CB 1.487 30 residues pruned to eliminate duplicates Z: 12 7.495 1.505 0.359 0.639 0.909 0.818 CB 1.067 12 residues pruned to eliminate duplicates Z: 69 50.242 2.263 0.926 0.492 0.897 0.456 CB 1.570 69 residues pruned to eliminate duplicates Z: 7 8.926 1.838 0.694 0.645 1.000 0.833 CA 1.022 7 residues pruned to eliminate duplicates Z: 12 15.096 1.991 0.710 0.824 0.818 0.636 CA 1.234 12 residues pruned to eliminate duplicates Z: 83 73.364 2.230 0.974 0.694 0.939 0.585 CA 1.641 83 residues pruned to eliminate duplicates Z: 19 8.550 1.750 0.202 0.454 1.000 0.444 CB 1.004 19 residues pruned to eliminate duplicates Z: 6 8.878 1.532 0.993 0.645 1.000 0.600 CA 1.136 6 residues pruned to eliminate duplicates Z: 12 15.822 1.940 0.458 0.908 1.000 1.000 CB 1.198 12 residues pruned to eliminate duplicates Z: 11 10.447 1.679 0.346 0.845 1.000 1.000 CB 1.087 11 residues pruned to eliminate duplicates Z: 6 3.009 1.433 0.660 0.466 0.600 0.400 N 0.976 Z: 27 20.880 1.941 0.707 0.589 0.846 0.654 CB 1.341 27 residues pruned to eliminate duplicates Z: 15 16.258 1.854 0.889 0.567 0.857 0.500 CB 1.356 15 residues pruned to eliminate duplicates Z: 19 22.137 2.032 0.982 0.578 0.889 0.611 CA 1.352 19 residues pruned to eliminate duplicates Z: 96 58.537 2.189 0.832 0.605 0.863 0.600 CA 1.571 96 residues pruned to eliminate duplicates Z: 104 69.673 2.270 0.773 0.653 0.903 0.709 CA 1.638 104 residues pruned to eliminate duplicates Z: 7 8.027 1.863 0.790 0.545 1.000 1.000 CB 0.940 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.154 1.384 0.515 0.342 0.800 0.600 O 0.998 6 residues pruned to eliminate duplicates Z: 10 9.544 1.739 0.694 0.460 0.889 0.667 CA 1.266 8 residues pruned to eliminate duplicates Z: 7 4.503 1.420 0.685 0.441 0.833 0.667 C 0.980 7 residues pruned to eliminate duplicates Z: 6 2.960 1.652 0.216 0.374 0.800 0.400 CA 0.942 Z: 13 12.639 1.753 0.547 0.790 0.750 0.583 CA 1.392 13 residues pruned to eliminate duplicates Z: 16 10.135 1.823 0.520 0.561 0.733 0.467 CB 1.214 14 residues pruned to eliminate duplicates Z: 13 14.826 1.775 0.454 0.796 0.917 0.583 CB 1.396 13 residues pruned to eliminate duplicates Z: 108 59.041 2.194 0.772 0.617 0.897 0.542 CB 1.465 109 residues pruned to eliminate duplicates Z: 12 11.763 1.782 0.270 0.808 0.909 0.455 CA 1.318 12 residues pruned to eliminate duplicates Z: 17 11.517 1.797 0.315 0.581 0.812 0.562 CB 1.387 17 residues pruned to eliminate duplicates Z: 24 16.495 1.840 0.529 0.535 0.957 0.609 CB 1.234 24 residues pruned to eliminate duplicates Z: 12 14.996 1.820 0.351 0.822 1.000 0.909 CA 1.392 15 residues pruned to eliminate duplicates Z: 10 13.706 1.882 0.304 0.828 1.000 0.667 CA 1.402 10 residues pruned to eliminate duplicates Z: 19 12.227 1.806 0.316 0.508 0.944 0.556 CB 1.273 16 residues pruned to eliminate duplicates Z: 13 14.861 1.821 0.470 0.741 0.917 0.667 CB 1.409 13 residues pruned to eliminate duplicates Z: 17 14.828 1.806 0.441 0.565 0.938 0.688 CB 1.426 18 residues pruned to eliminate duplicates Z: 7 5.639 1.395 0.730 0.494 1.000 0.500 O 0.959 7 residues pruned to eliminate duplicates Z: 28 18.697 1.772 0.704 0.469 0.963 0.556 CB 1.276 23 residues pruned to eliminate duplicates Z: 6 7.489 1.624 0.672 0.836 1.000 1.000 CA 0.923 6 residues pruned to eliminate duplicates Z: 20 15.064 1.871 0.623 0.476 0.947 0.684 CB 1.231 48 residues pruned to eliminate duplicates Z: 10 8.114 1.833 0.714 0.383 0.778 0.556 CB 1.253 Z: 28 18.110 1.795 0.501 0.486 0.963 0.667 CA 1.362 10 residues pruned to eliminate duplicates Z: 6 2.007 1.655 0.226 0.534 0.600 0.200 CB 0.713 6 residues pruned to eliminate duplicates Z: 36 44.888 2.308 0.975 0.673 0.886 0.571 CB 1.603 64 residues pruned to eliminate duplicates Z: 94 73.014 2.276 0.873 0.714 0.946 0.624 CB 1.545 55 residues pruned to eliminate duplicates Z: 8 5.790 1.888 0.733 0.385 0.857 0.286 CA 0.882 8 residues pruned to eliminate duplicates Z: 91 64.369 2.245 0.832 0.662 0.922 0.644 CB 1.540 91 residues pruned to eliminate duplicates Z: 88 75.179 2.333 0.798 0.738 0.931 0.690 CB 1.666 88 residues pruned to eliminate duplicates Z: 24 29.510 2.302 0.740 0.629 0.870 0.391 CB 1.564 24 residues pruned to eliminate duplicates Z: 18 34.313 2.417 0.683 0.853 0.882 0.765 CB 1.714 18 residues pruned to eliminate duplicates Z: 135 72.963 2.232 0.746 0.620 0.933 0.657 CB 1.548 138 residues pruned to eliminate duplicates Z: 17 49.801 2.531 1.055 0.873 0.938 0.688 CB 1.859 17 residues pruned to eliminate duplicates Z: 35 43.283 2.292 1.111 0.643 0.912 0.559 CB 1.472 35 residues pruned to eliminate duplicates Z: 92 78.886 2.290 0.880 0.726 0.934 0.626 CB 1.677 92 residues pruned to eliminate duplicates Z: 94 74.362 2.298 0.932 0.709 0.892 0.667 CB 1.609 94 residues pruned to eliminate duplicates Z: 99 69.728 2.273 0.837 0.696 0.908 0.643 CB 1.553 99 residues pruned to eliminate duplicates Z: 104 70.903 2.275 0.806 0.683 0.922 0.660 CB 1.559 104 residues pruned to eliminate duplicates Z: 35 30.292 2.177 0.901 0.514 0.882 0.500 CB 1.403 35 residues pruned to eliminate duplicates Z: 131 74.675 2.247 0.790 0.643 0.931 0.546 CB 1.531 133 residues pruned to eliminate duplicates Z: 19 43.803 2.346 1.125 0.859 0.944 0.722 CA 1.614 19 residues pruned to eliminate duplicates Z: 106 65.867 2.248 0.825 0.634 0.905 0.600 CB 1.527 106 residues pruned to eliminate duplicates Z: 89 72.601 2.322 0.791 0.730 0.955 0.625 CB 1.586 89 residues pruned to eliminate duplicates Z: 130 79.331 2.274 0.890 0.658 0.915 0.558 CB 1.533 130 residues pruned to eliminate duplicates Z: 116 74.641 2.270 0.857 0.671 0.904 0.609 CB 1.559 116 residues pruned to eliminate duplicates Z: 97 66.948 2.207 0.823 0.717 0.906 0.656 CB 1.541 97 residues pruned to eliminate duplicates Z: 108 72.111 2.227 0.890 0.635 0.925 0.589 CB 1.578 108 residues pruned to eliminate duplicates Z: 37 46.892 2.288 1.017 0.683 0.889 0.444 CB 1.611 37 residues pruned to eliminate duplicates Z: 33 44.210 2.248 1.173 0.726 0.875 0.344 CB 1.492 33 residues pruned to eliminate duplicates Z: 84 64.850 2.256 0.789 0.685 0.940 0.602 CA 1.584 84 residues pruned to eliminate duplicates Z: 97 70.444 2.293 0.794 0.704 0.917 0.604 CB 1.583 97 residues pruned to eliminate duplicates Z: 139 77.256 2.218 0.870 0.641 0.906 0.572 CB 1.535 139 residues pruned to eliminate duplicates Z: 116 71.304 2.266 0.760 0.680 0.913 0.626 CB 1.547 116 residues pruned to eliminate duplicates Z: 98 75.557 2.258 0.803 0.693 0.969 0.639 CB 1.629 98 residues pruned to eliminate duplicates Z: 89 64.570 2.283 0.741 0.731 0.898 0.648 CB 1.567 89 residues pruned to eliminate duplicates Z: 114 74.387 2.295 0.791 0.685 0.912 0.637 CB 1.576 114 residues pruned to eliminate duplicates Z: 111 64.887 2.202 0.799 0.632 0.918 0.664 CB 1.503 111 residues pruned to eliminate duplicates Z: 87 85.726 2.338 0.980 0.732 0.953 0.663 CB 1.700 88 residues pruned to eliminate duplicates Z: 10 17.560 1.846 1.183 0.766 1.000 0.333 CB 1.147 10 residues pruned to eliminate duplicates Z: 93 77.812 2.295 0.828 0.719 0.957 0.641 CB 1.658 93 residues pruned to eliminate duplicates Z: 67 54.361 2.282 0.700 0.653 0.909 0.652 CB 1.645 67 residues pruned to eliminate duplicates Z: 56 53.205 2.305 0.707 0.719 0.927 0.745 CA 1.614 56 residues pruned to eliminate duplicates Z: 98 65.365 2.243 0.899 0.618 0.876 0.567 CB 1.591 93 residues pruned to eliminate duplicates Z: 14 32.557 2.290 0.818 0.873 1.000 0.846 CA 1.579 14 residues pruned to eliminate duplicates Z: 121 51.099 2.149 0.637 0.567 0.883 0.642 CB 1.407 121 residues pruned to eliminate duplicates Z: 17 24.860 2.293 0.601 0.673 0.875 0.688 CA 1.650 17 residues pruned to eliminate duplicates Z: 94 59.649 2.268 0.706 0.636 0.903 0.624 CB 1.558 94 residues pruned to eliminate duplicates Z: 76 62.970 2.318 0.822 0.683 0.933 0.653 CB 1.560 76 residues pruned to eliminate duplicates Z: 66 52.534 2.283 0.649 0.656 0.923 0.646 CB 1.622 66 residues pruned to eliminate duplicates Z: 55 50.650 2.309 0.726 0.690 0.907 0.759 CB 1.602 55 residues pruned to eliminate duplicates Z: 76 72.455 2.309 1.004 0.720 0.920 0.640 CB 1.611 76 residues pruned to eliminate duplicates Z: 87 62.358 2.274 0.796 0.654 0.919 0.663 CB 1.554 87 residues pruned to eliminate duplicates Z: 102 77.248 2.281 0.874 0.691 0.960 0.574 CB 1.573 102 residues pruned to eliminate duplicates Z: 68 51.961 2.263 0.677 0.667 0.925 0.672 CB 1.549 68 residues pruned to eliminate duplicates Z: 80 66.786 2.269 0.928 0.658 0.899 0.532 CA 1.651 80 residues pruned to eliminate duplicates Z: 66 55.487 2.277 0.759 0.658 0.923 0.677 CB 1.608 66 residues pruned to eliminate duplicates Z: 91 69.426 2.251 0.847 0.669 0.922 0.522 CA 1.633 91 residues pruned to eliminate duplicates Z: 44 42.969 2.259 0.756 0.682 0.907 0.628 CA 1.540 44 residues pruned to eliminate duplicates Z: 110 75.362 2.293 0.891 0.675 0.917 0.569 CB 1.544 113 residues pruned to eliminate duplicates Z: 17 28.329 2.159 0.647 0.899 1.000 0.625 CA 1.423 17 residues pruned to eliminate duplicates Z: 161 73.902 2.191 0.816 0.586 0.906 0.581 CB 1.492 161 residues pruned to eliminate duplicates Z: 123 75.527 2.252 0.920 0.646 0.934 0.623 CB 1.477 123 residues pruned to eliminate duplicates Z: 77 70.880 2.327 0.978 0.699 0.908 0.671 CB 1.622 77 residues pruned to eliminate duplicates Z: 89 79.028 2.310 0.970 0.714 0.932 0.625 CB 1.637 89 residues pruned to eliminate duplicates Z: 165 72.025 2.158 0.801 0.593 0.896 0.591 CB 1.476 165 residues pruned to eliminate duplicates Z: 138 75.707 2.240 0.822 0.644 0.898 0.606 CB 1.543 138 residues pruned to eliminate duplicates Z: 55 62.111 2.324 0.903 0.716 0.944 0.685 CA 1.665 55 residues pruned to eliminate duplicates Z: 76 78.879 2.320 1.079 0.698 0.960 0.547 CB 1.643 76 residues pruned to eliminate duplicates Z: 57 59.670 2.285 0.875 0.713 0.946 0.679 CB 1.621 57 residues pruned to eliminate duplicates Z: 41 50.207 2.357 0.858 0.711 0.950 0.675 CA 1.576 41 residues pruned to eliminate duplicates Z: 55 60.107 2.330 0.885 0.733 0.907 0.741 CA 1.664 55 residues pruned to eliminate duplicates Z: 130 66.933 2.228 0.753 0.623 0.899 0.628 CB 1.494 130 residues pruned to eliminate duplicates Z: 39 57.438 2.374 0.885 0.743 1.000 0.579 CA 1.675 39 residues pruned to eliminate duplicates Z: 75 64.959 2.300 0.913 0.648 0.919 0.527 CA 1.627 75 residues pruned to eliminate duplicates Z: 54 58.469 2.331 0.766 0.738 0.943 0.623 CB 1.670 54 residues pruned to eliminate duplicates Z: 115 54.877 2.156 0.752 0.566 0.886 0.614 CB 1.441 115 residues pruned to eliminate duplicates Z: 55 62.705 2.301 0.835 0.753 0.963 0.722 CA 1.675 55 residues pruned to eliminate duplicates Z: 44 50.142 2.304 0.959 0.688 0.884 0.558 CA 1.614 44 residues pruned to eliminate duplicates Z: 56 61.042 2.293 0.925 0.692 0.945 0.582 CA 1.655 56 residues pruned to eliminate duplicates Z: 56 59.891 2.293 0.906 0.728 0.927 0.655 CA 1.623 56 residues pruned to eliminate duplicates Z: 54 63.401 2.348 0.872 0.733 0.962 0.736 CA 1.670 54 residues pruned to eliminate duplicates Z: 99 71.765 2.255 0.886 0.688 0.929 0.592 CB 1.545 99 residues pruned to eliminate duplicates Z: 73 36.638 2.096 0.613 0.533 0.903 0.556 CB 1.369 73 residues pruned to eliminate duplicates Z: 94 76.056 2.275 0.997 0.683 0.925 0.505 CB 1.587 94 residues pruned to eliminate duplicates Z: 14 21.425 2.200 0.622 0.811 0.923 0.769 CB 1.376 14 residues pruned to eliminate duplicates Z: 130 62.151 2.168 0.711 0.592 0.915 0.558 CB 1.476 130 residues pruned to eliminate duplicates Z: 54 32.355 2.161 0.654 0.578 0.830 0.491 CB 1.389 54 residues pruned to eliminate duplicates Z: 15 23.915 2.157 0.903 0.730 1.000 0.643 CB 1.265 15 residues pruned to eliminate duplicates Z: 95 62.973 2.271 0.810 0.639 0.872 0.670 CB 1.591 95 residues pruned to eliminate duplicates Z: 54 41.986 2.161 0.875 0.590 0.943 0.566 CB 1.385 54 residues pruned to eliminate duplicates Z: 66 53.568 2.260 0.734 0.700 0.908 0.569 CB 1.557 66 residues pruned to eliminate duplicates Z: 78 56.733 2.283 0.692 0.686 0.896 0.610 CB 1.574 78 residues pruned to eliminate duplicates Z: 34 27.330 2.183 0.663 0.631 0.879 0.576 CB 1.319 34 residues pruned to eliminate duplicates Z: 76 48.082 2.183 0.758 0.615 0.907 0.480 CB 1.432 76 residues pruned to eliminate duplicates Z: 63 57.350 2.282 0.784 0.677 0.935 0.548 CB 1.625 63 residues pruned to eliminate duplicates Z: 14 7.610 1.923 0.307 0.383 0.692 0.308 CB 1.374 14 residues pruned to eliminate duplicates Z: 59 35.403 2.117 0.722 0.568 0.914 0.569 CB 1.307 59 residues pruned to eliminate duplicates Z: 134 74.353 2.251 0.850 0.649 0.895 0.519 CB 1.506 134 residues pruned to eliminate duplicates Z: 60 28.785 2.078 0.644 0.504 0.847 0.492 CB 1.289 60 residues pruned to eliminate duplicates Z: 44 31.686 2.128 0.874 0.527 0.837 0.512 CB 1.409 44 residues pruned to eliminate duplicates Z: 22 16.899 2.159 0.630 0.476 0.810 0.429 CB 1.326 22 residues pruned to eliminate duplicates Z: 27 20.675 2.084 0.675 0.580 0.846 0.615 CB 1.271 27 residues pruned to eliminate duplicates Z: 54 37.070 2.182 0.746 0.594 0.887 0.566 CB 1.378 54 residues pruned to eliminate duplicates Z: 131 78.961 2.271 0.915 0.634 0.915 0.554 CB 1.534 131 residues pruned to eliminate duplicates Z: 97 64.872 2.242 0.863 0.653 0.917 0.635 CB 1.499 97 residues pruned to eliminate duplicates Z: 45 24.995 2.137 0.610 0.528 0.773 0.568 CB 1.379 45 residues pruned to eliminate duplicates Z: 50 22.622 1.999 0.697 0.462 0.816 0.510 CB 1.213 50 residues pruned to eliminate duplicates Z: 134 76.746 2.246 0.913 0.647 0.902 0.526 CB 1.497 134 residues pruned to eliminate duplicates Z: 76 34.134 2.061 0.627 0.485 0.893 0.533 CB 1.336 76 residues pruned to eliminate duplicates Z: 43 25.967 2.131 0.833 0.526 0.762 0.524 CB 1.313 43 residues pruned to eliminate duplicates Z: 77 61.151 2.276 0.848 0.675 0.934 0.579 CB 1.519 77 residues pruned to eliminate duplicates Z: 40 30.651 2.190 0.745 0.622 0.897 0.667 CB 1.275 40 residues pruned to eliminate duplicates Z: 40 31.578 2.114 0.796 0.532 0.949 0.590 CB 1.361 40 residues pruned to eliminate duplicates Z: 54 38.146 2.163 0.810 0.605 0.943 0.528 CB 1.283 54 residues pruned to eliminate duplicates Z: 39 25.777 2.079 0.784 0.508 0.842 0.500 CB 1.327 39 residues pruned to eliminate duplicates Z: 33 26.948 2.174 0.953 0.511 0.812 0.438 CB 1.366 33 residues pruned to eliminate duplicates Z: 32 27.309 2.215 0.922 0.554 0.774 0.581 CB 1.413 32 residues pruned to eliminate duplicates Z: 26 18.142 1.934 0.862 0.373 0.800 0.440 CB 1.443 26 residues pruned to eliminate duplicates Z: 37 27.985 2.128 0.985 0.496 0.833 0.583 CB 1.331 37 residues pruned to eliminate duplicates Z: 26 19.804 1.989 0.713 0.380 0.880 0.440 CB 1.501 26 residues pruned to eliminate duplicates Z: 20 15.362 2.024 0.721 0.436 0.789 0.526 CA 1.369 20 residues pruned to eliminate duplicates Z: 9 13.469 2.144 0.810 0.375 0.875 0.500 CA 1.602 9 residues pruned to eliminate duplicates Z: 95 67.482 2.259 0.832 0.657 0.936 0.564 CB 1.553 95 residues pruned to eliminate duplicates Z: 31 30.236 2.243 0.801 0.550 0.900 0.567 CB 1.447 31 residues pruned to eliminate duplicates Z: 41 35.232 2.186 0.884 0.524 0.900 0.525 CB 1.468 41 residues pruned to eliminate duplicates Z: 22 16.690 1.984 0.710 0.413 0.810 0.524 CA 1.453 22 residues pruned to eliminate duplicates Z: 16 14.173 2.061 0.784 0.388 0.800 0.467 CA 1.400 16 residues pruned to eliminate duplicates Z: 94 57.120 2.205 0.779 0.617 0.882 0.538 CB 1.533 94 residues pruned to eliminate duplicates Z: 143 69.821 2.178 0.854 0.611 0.894 0.500 CB 1.460 143 residues pruned to eliminate duplicates Z: 91 35.353 2.051 0.642 0.504 0.844 0.533 CB 1.305 91 residues pruned to eliminate duplicates Z: 25 17.040 1.997 0.582 0.416 0.833 0.542 CB 1.443 25 residues pruned to eliminate duplicates Z: 44 17.922 1.970 0.570 0.429 0.698 0.395 CB 1.364 44 residues pruned to eliminate duplicates Z: 60 36.375 2.136 0.716 0.534 0.915 0.492 CB 1.366 60 residues pruned to eliminate duplicates Z: 55 26.155 1.982 0.678 0.458 0.833 0.556 CB 1.340 55 residues pruned to eliminate duplicates Z: 24 16.250 1.974 0.670 0.389 0.826 0.609 CB 1.398 24 residues pruned to eliminate duplicates Z: 17 12.159 1.650 0.792 0.534 0.875 0.438 CB 1.136 17 residues pruned to eliminate duplicates Z: 45 20.619 1.841 0.605 0.478 0.909 0.636 CB 1.183 45 residues pruned to eliminate duplicates Z: 13 14.497 1.846 0.660 0.689 0.917 0.750 CA 1.253 13 residues pruned to eliminate duplicates Z: 51 22.460 1.858 0.623 0.509 0.840 0.460 CB 1.243 51 residues pruned to eliminate duplicates Z: 41 22.296 1.944 0.607 0.511 0.875 0.525 CB 1.275 41 residues pruned to eliminate duplicates Z: 23 17.356 1.910 0.604 0.564 0.909 0.682 CB 1.249 23 residues pruned to eliminate duplicates Z: 65 27.162 1.908 0.577 0.535 0.859 0.641 CB 1.269 65 residues pruned to eliminate duplicates Z: 27 15.454 1.798 0.537 0.503 0.962 0.500 CB 1.137 27 residues pruned to eliminate duplicates Z: 63 26.684 1.918 0.591 0.530 0.871 0.597 CB 1.237 63 residues pruned to eliminate duplicates Z: 66 26.387 1.870 0.560 0.467 0.877 0.492 CB 1.322 66 residues pruned to eliminate duplicates Z: 11 9.298 1.954 0.334 0.372 0.900 0.400 CB 1.438 11 residues pruned to eliminate duplicates Z: 25 15.725 1.958 0.432 0.498 0.875 0.583 CB 1.312 25 residues pruned to eliminate duplicates Z: 14 6.955 1.822 0.334 0.339 0.769 0.462 CB 1.230 14 residues pruned to eliminate duplicates Z: 64 27.246 1.909 0.584 0.527 0.889 0.635 CB 1.243 64 residues pruned to eliminate duplicates Z: 62 31.307 1.905 0.642 0.541 0.984 0.639 CB 1.251 62 residues pruned to eliminate duplicates Z: 70 24.693 1.845 0.623 0.444 0.884 0.522 CB 1.190 70 residues pruned to eliminate duplicates Z: 46 19.402 1.858 0.573 0.463 0.889 0.556 CB 1.156 46 residues pruned to eliminate duplicates Z: 27 14.829 1.949 0.439 0.431 0.885 0.615 CB 1.259 27 residues pruned to eliminate duplicates Z: 26 19.564 2.005 0.590 0.448 0.960 0.560 CB 1.348 26 residues pruned to eliminate duplicates Z: 25 17.275 1.987 0.492 0.444 0.917 0.583 CB 1.375 25 residues pruned to eliminate duplicates Z: 42 19.572 1.941 0.642 0.463 0.805 0.512 CB 1.237 42 residues pruned to eliminate duplicates Z: 26 17.508 2.003 0.512 0.465 0.920 0.560 CB 1.302 26 residues pruned to eliminate duplicates Z: 29 15.248 1.919 0.602 0.396 0.857 0.500 CB 1.219 29 residues pruned to eliminate duplicates Z: 29 15.275 1.962 0.639 0.413 0.821 0.536 CB 1.196 29 residues pruned to eliminate duplicates Z: 38 22.172 1.941 0.613 0.538 0.892 0.622 CB 1.258 38 residues pruned to eliminate duplicates Z: 15 14.531 2.025 0.415 0.643 1.000 0.786 CB 1.186 15 residues pruned to eliminate duplicates Z: 15 16.586 2.024 0.502 0.641 1.000 0.714 CB 1.277 15 residues pruned to eliminate duplicates Z: 17 13.905 1.951 0.436 0.586 0.938 0.625 CB 1.219 17 residues pruned to eliminate duplicates Z: 16 12.562 1.994 0.438 0.597 0.867 0.533 CB 1.190 16 residues pruned to eliminate duplicates Z: 16 13.281 1.976 0.558 0.592 0.933 0.467 CB 1.093 16 residues pruned to eliminate duplicates Z: 65 26.761 1.887 0.635 0.507 0.891 0.484 CB 1.209 65 residues pruned to eliminate duplicates Z: 16 13.150 1.983 0.417 0.603 0.933 0.533 CB 1.173 16 residues pruned to eliminate duplicates Z: 12 12.283 1.976 0.553 0.715 0.818 0.545 CB 1.214 12 residues pruned to eliminate duplicates Z: 51 27.412 1.988 0.540 0.557 0.880 0.580 CB 1.362 51 residues pruned to eliminate duplicates Z: 12 14.796 1.908 0.474 0.861 1.000 0.727 CB 1.165 12 residues pruned to eliminate duplicates Z: 9 18.175 2.083 0.410 0.889 1.000 0.750 CB 1.576 10 residues pruned to eliminate duplicates Z: 12 16.159 2.025 0.626 0.850 0.909 0.818 CB 1.206 12 residues pruned to eliminate duplicates Z: 10 15.802 1.940 0.568 0.790 1.000 0.667 CA 1.343 10 residues pruned to eliminate duplicates Z: 12 19.333 1.952 0.625 0.900 1.000 0.727 CB 1.313 12 residues pruned to eliminate duplicates Z: 34 23.448 1.905 0.677 0.640 0.788 0.606 CB 1.423 34 residues pruned to eliminate duplicates Z: 22 22.690 1.968 0.705 0.678 1.000 0.619 CB 1.253 22 residues pruned to eliminate duplicates Z: 64 34.602 2.021 0.729 0.577 0.857 0.444 CB 1.351 64 residues pruned to eliminate duplicates Z: 14 16.197 1.919 0.589 0.786 1.000 0.615 CB 1.146 14 residues pruned to eliminate duplicates Z: 24 19.475 1.916 0.565 0.646 0.957 0.609 CB 1.235 24 residues pruned to eliminate duplicates Z: 34 24.002 2.003 0.534 0.623 0.879 0.545 CB 1.379 34 residues pruned to eliminate duplicates Z: 7 3.484 1.438 0.270 0.384 1.000 0.667 CA 0.881 7 residues pruned to eliminate duplicates Z: 27 16.528 1.856 0.474 0.596 0.885 0.615 CB 1.223 22 residues pruned to eliminate duplicates Z: 7 6.135 1.441 0.901 0.515 1.000 0.667 CA 0.900 7 residues pruned to eliminate duplicates Z: 32 26.513 1.975 0.542 0.672 0.968 0.645 CB 1.378 37 residues pruned to eliminate duplicates Z: 15 16.984 1.869 0.820 0.747 0.857 0.714 CB 1.248 15 residues pruned to eliminate duplicates Z: 48 24.085 1.951 0.732 0.526 0.809 0.532 CB 1.254 48 residues pruned to eliminate duplicates Z: 48 26.597 1.972 0.637 0.583 0.894 0.617 CB 1.242 48 residues pruned to eliminate duplicates Z: 13 14.898 1.962 0.535 0.725 0.833 0.667 CB 1.399 13 residues pruned to eliminate duplicates Z: 20 11.427 1.875 0.509 0.574 0.789 0.632 CB 1.093 20 residues pruned to eliminate duplicates Z: 27 23.091 1.972 0.660 0.514 0.923 0.538 CB 1.478 27 residues pruned to eliminate duplicates Z: 47 29.822 2.012 0.658 0.576 0.913 0.565 CB 1.342 47 residues pruned to eliminate duplicates Z: 37 27.330 1.982 0.740 0.661 0.861 0.639 CB 1.321 37 residues pruned to eliminate duplicates Z: 10 24.312 2.010 1.094 0.899 1.000 0.667 CB 1.377 10 residues pruned to eliminate duplicates Z: 27 20.995 1.984 0.783 0.523 0.846 0.500 CB 1.345 27 residues pruned to eliminate duplicates Z: 30 25.203 2.007 0.834 0.579 0.897 0.552 CB 1.314 30 residues pruned to eliminate duplicates Z: 21 17.728 1.968 0.788 0.390 0.900 0.600 CB 1.406 21 residues pruned to eliminate duplicates Z: 24 14.289 1.984 0.599 0.415 0.739 0.522 CB 1.388 24 residues pruned to eliminate duplicates Z: 29 26.991 2.042 0.846 0.571 0.893 0.607 CB 1.415 29 residues pruned to eliminate duplicates Z: 47 31.421 1.984 0.756 0.608 0.913 0.609 CB 1.313 46 residues pruned to eliminate duplicates Z: 7 4.486 1.546 0.125 0.796 1.000 0.500 CA 0.813 7 residues pruned to eliminate duplicates Z: 19 11.892 1.947 0.465 0.410 0.833 0.500 CB 1.295 19 residues pruned to eliminate duplicates Z: 26 22.988 2.031 0.757 0.605 0.840 0.520 CB 1.389 26 residues pruned to eliminate duplicates Z: 32 23.268 1.961 0.763 0.572 0.839 0.645 CB 1.344 32 residues pruned to eliminate duplicates Z: 20 17.899 2.043 0.719 0.476 0.842 0.579 CB 1.423 20 residues pruned to eliminate duplicates Z: 19 13.913 1.990 0.527 0.385 0.833 0.611 CB 1.464 19 residues pruned to eliminate duplicates Z: 34 23.495 1.972 0.854 0.551 0.848 0.515 CB 1.255 34 residues pruned to eliminate duplicates Z: 26 20.534 1.977 0.763 0.477 0.800 0.520 CB 1.508 26 residues pruned to eliminate duplicates Z: 22 18.939 2.009 0.767 0.470 0.857 0.524 CB 1.400 22 residues pruned to eliminate duplicates Z: 27 22.098 1.990 0.810 0.597 0.885 0.500 CB 1.240 27 residues pruned to eliminate duplicates Z: 27 20.652 1.950 0.745 0.558 0.885 0.346 CB 1.271 27 residues pruned to eliminate duplicates Z: 27 22.984 2.009 0.769 0.586 0.846 0.577 CB 1.380 27 residues pruned to eliminate duplicates Z: 41 30.367 2.198 0.658 0.447 0.850 0.625 CB 1.637 41 residues pruned to eliminate duplicates Z: 19 12.887 1.930 0.572 0.367 0.833 0.556 CB 1.387 19 residues pruned to eliminate duplicates Z: 35 25.168 2.145 0.678 0.423 0.853 0.382 CB 1.523 35 residues pruned to eliminate duplicates Z: 42 30.520 2.193 0.757 0.466 0.854 0.707 CB 1.501 42 residues pruned to eliminate duplicates Z: 25 27.277 2.264 0.617 0.521 0.917 0.625 CB 1.626 25 residues pruned to eliminate duplicates Z: 47 34.029 2.146 0.643 0.555 0.935 0.609 CB 1.443 47 residues pruned to eliminate duplicates Z: 35 28.914 2.187 0.758 0.453 0.853 0.618 CB 1.587 35 residues pruned to eliminate duplicates Z: 27 30.820 2.150 0.782 0.502 0.962 0.615 CB 1.637 27 residues pruned to eliminate duplicates Z: 25 28.002 2.264 0.688 0.548 0.875 0.750 CB 1.632 25 residues pruned to eliminate duplicates Z: 19 28.340 2.309 0.689 0.610 0.944 0.722 CA 1.634 19 residues pruned to eliminate duplicates Z: 24 31.987 2.289 0.774 0.559 0.913 0.696 CB 1.699 24 residues pruned to eliminate duplicates Z: 24 32.707 2.322 0.743 0.553 0.957 0.609 CB 1.673 24 residues pruned to eliminate duplicates Z: 25 35.733 2.294 0.963 0.565 0.917 0.667 CA 1.659 25 residues pruned to eliminate duplicates Z: 84 39.068 2.075 0.597 0.514 0.928 0.627 CB 1.376 84 residues pruned to eliminate duplicates Z: 74 41.545 2.113 0.666 0.539 0.932 0.630 CB 1.427 74 residues pruned to eliminate duplicates Z: 25 32.676 2.275 0.763 0.525 0.958 0.625 CB 1.693 25 residues pruned to eliminate duplicates Z: 25 31.792 2.309 0.803 0.546 0.875 0.625 CB 1.703 25 residues pruned to eliminate duplicates Z: 52 40.926 2.146 0.818 0.557 0.902 0.745 CB 1.541 52 residues pruned to eliminate duplicates Z: 23 37.986 2.324 0.942 0.605 0.955 0.773 CB 1.700 23 residues pruned to eliminate duplicates Z: 66 34.392 2.057 0.623 0.500 0.923 0.631 CB 1.385 66 residues pruned to eliminate duplicates Z: 45 29.170 2.107 0.611 0.468 0.886 0.682 CB 1.510 45 residues pruned to eliminate duplicates Z: 72 34.457 2.043 0.675 0.485 0.845 0.549 CB 1.436 72 residues pruned to eliminate duplicates Z: 44 33.009 2.163 0.757 0.448 0.907 0.628 CB 1.540 44 residues pruned to eliminate duplicates Z: 56 36.098 2.134 0.755 0.528 0.818 0.618 CB 1.545 56 residues pruned to eliminate duplicates Z: 24 33.413 2.297 0.908 0.543 0.913 0.696 CB 1.670 24 residues pruned to eliminate duplicates Z: 78 44.532 2.093 0.776 0.545 0.896 0.545 CB 1.459 78 residues pruned to eliminate duplicates Z: 76 45.806 2.107 0.734 0.553 0.933 0.560 CB 1.472 76 residues pruned to eliminate duplicates Z: 50 37.018 2.126 0.720 0.533 0.959 0.592 CB 1.460 50 residues pruned to eliminate duplicates Z: 67 29.523 2.010 0.638 0.453 0.909 0.530 CB 1.274 67 residues pruned to eliminate duplicates Z: 49 40.251 2.153 0.782 0.558 0.938 0.562 CB 1.527 68 residues pruned to eliminate duplicates Z: 12 19.945 2.018 0.675 0.880 1.000 0.636 CA 1.290 12 residues pruned to eliminate duplicates Z: 58 31.499 2.087 0.617 0.459 0.912 0.632 CB 1.413 50 residues pruned to eliminate duplicates Z: 11 24.424 2.131 0.595 0.923 1.000 0.900 CA 1.598 11 residues pruned to eliminate duplicates Z: 40 20.268 1.874 0.434 0.548 0.923 0.692 CB 1.249 31 residues pruned to eliminate duplicates Z: 12 19.239 1.984 0.484 0.900 1.000 0.818 CA 1.407 12 residues pruned to eliminate duplicates Z: 94 38.094 2.030 0.631 0.532 0.882 0.570 CB 1.312 94 residues pruned to eliminate duplicates Z: 51 36.830 2.136 0.688 0.528 0.960 0.700 CB 1.463 51 residues pruned to eliminate duplicates Z: 65 36.268 2.065 0.666 0.533 0.938 0.594 CB 1.362 65 residues pruned to eliminate duplicates Z: 105 41.458 2.029 0.683 0.514 0.885 0.606 CB 1.327 105 residues pruned to eliminate duplicates Z: 48 36.590 2.187 0.618 0.555 0.936 0.681 CB 1.528 48 residues pruned to eliminate duplicates Z: 48 40.321 2.189 0.691 0.554 0.957 0.553 CB 1.575 48 residues pruned to eliminate duplicates Z: 49 36.146 2.140 0.609 0.528 0.938 0.562 CB 1.573 49 residues pruned to eliminate duplicates Z: 100 50.558 2.080 0.760 0.561 0.919 0.657 CB 1.423 100 residues pruned to eliminate duplicates Z: 72 42.424 2.103 0.763 0.486 0.944 0.620 CB 1.460 72 residues pruned to eliminate duplicates Z: 15 6.338 1.839 0.083 0.354 0.929 0.571 CB 1.073 15 residues pruned to eliminate duplicates Z: 23 8.254 1.810 0.246 0.289 0.818 0.591 CB 1.209 23 residues pruned to eliminate duplicates Z: 51 35.099 2.112 0.782 0.548 0.900 0.520 CB 1.399 51 residues pruned to eliminate duplicates Z: 64 38.008 2.070 0.696 0.507 0.921 0.667 CB 1.471 64 residues pruned to eliminate duplicates Z: 7 3.178 1.675 0.437 0.510 0.833 0.833 CB 0.640 7 residues pruned to eliminate duplicates Z: 18 5.946 1.730 0.373 0.264 0.765 0.412 CB 1.040 18 residues pruned to eliminate duplicates Z: 24 9.685 1.830 0.175 0.379 0.870 0.565 CB 1.228 24 residues pruned to eliminate duplicates Z: 18 6.504 1.733 0.383 0.321 0.765 0.588 CB 1.048 18 residues pruned to eliminate duplicates Z: 29 11.492 1.795 0.338 0.430 0.857 0.571 CB 1.134 29 residues pruned to eliminate duplicates Z: 16 9.460 1.787 0.256 0.653 0.933 0.733 CB 1.012 16 residues pruned to eliminate duplicates Z: 14 9.384 1.803 0.114 0.662 0.923 0.462 CB 1.208 14 residues pruned to eliminate duplicates Z: 44 17.633 1.874 0.409 0.482 0.837 0.535 CB 1.239 44 residues pruned to eliminate duplicates Z: 29 9.369 1.784 0.222 0.341 0.821 0.464 CB 1.176 29 residues pruned to eliminate duplicates Z: 25 10.245 1.844 0.189 0.451 0.875 0.500 CB 1.147 25 residues pruned to eliminate duplicates Z: 28 9.423 1.818 0.133 0.342 0.852 0.519 CB 1.227 28 residues pruned to eliminate duplicates Z: 23 10.399 1.794 0.273 0.442 0.864 0.636 CB 1.193 22 residues pruned to eliminate duplicates Z: 8 9.174 1.831 0.327 0.819 1.000 0.571 CB 1.082 8 residues pruned to eliminate duplicates Z: 20 8.819 1.822 0.233 0.447 0.947 0.474 CB 1.004 20 residues pruned to eliminate duplicates Z: 25 8.574 1.767 0.254 0.311 0.875 0.417 CB 1.113 25 residues pruned to eliminate duplicates Z: 29 9.482 1.728 0.256 0.367 0.929 0.536 CB 1.025 29 residues pruned to eliminate duplicates Z: 25 10.521 1.788 0.446 0.420 0.875 0.667 CB 1.032 24 residues pruned to eliminate duplicates Z: 14 33.903 2.263 0.828 0.914 1.000 0.846 CB 1.607 14 residues pruned to eliminate duplicates Z: 104 76.624 2.247 0.950 0.667 0.922 0.660 CB 1.601 104 residues pruned to eliminate duplicates Z: 56 48.544 2.160 0.924 0.666 0.891 0.600 CB 1.516 56 residues pruned to eliminate duplicates Z: 84 54.556 2.228 0.754 0.588 0.904 0.614 CA 1.559 84 residues pruned to eliminate duplicates Z: 133 85.470 2.286 0.867 0.640 0.932 0.674 CA 1.640 133 residues pruned to eliminate duplicates Z: 133 85.646 2.304 0.946 0.638 0.886 0.606 CA 1.649 133 residues pruned to eliminate duplicates Z: 95 74.770 2.311 0.919 0.639 0.926 0.628 CA 1.650 95 residues pruned to eliminate duplicates Z: 128 78.039 2.298 0.857 0.629 0.906 0.630 CA 1.587 128 residues pruned to eliminate duplicates Z: 63 57.302 2.235 0.969 0.668 0.919 0.629 CA 1.541 63 residues pruned to eliminate duplicates Z: 58 53.637 2.196 0.967 0.646 0.912 0.579 CA 1.574 58 residues pruned to eliminate duplicates Z: 133 79.150 2.282 0.891 0.628 0.871 0.644 CA 1.625 133 residues pruned to eliminate duplicates Z: 136 78.143 2.262 0.839 0.615 0.904 0.674 CA 1.603 136 residues pruned to eliminate duplicates Z: 99 73.156 2.261 0.853 0.675 0.949 0.694 CA 1.583 99 residues pruned to eliminate duplicates Z: 80 63.355 2.327 0.844 0.611 0.886 0.646 CB 1.688 80 residues pruned to eliminate duplicates Z: 154 90.344 2.293 0.886 0.629 0.915 0.641 CA 1.635 154 residues pruned to eliminate duplicates Z: 105 76.061 2.274 0.978 0.657 0.894 0.683 CA 1.604 105 residues pruned to eliminate duplicates Z: 100 70.039 2.244 0.880 0.677 0.889 0.646 CA 1.594 100 residues pruned to eliminate duplicates Z: 124 85.122 2.299 0.852 0.665 0.935 0.707 CA 1.655 124 residues pruned to eliminate duplicates Z: 80 65.746 2.328 0.886 0.615 0.886 0.595 CA 1.705 80 residues pruned to eliminate duplicates Z: 131 82.663 2.292 0.900 0.638 0.885 0.600 CB 1.653 131 residues pruned to eliminate duplicates Z: 93 73.599 2.278 0.957 0.677 0.935 0.576 CA 1.565 93 residues pruned to eliminate duplicates Z: 139 77.633 2.220 0.894 0.616 0.891 0.558 CB 1.580 139 residues pruned to eliminate duplicates Z: 154 88.049 2.298 0.907 0.619 0.889 0.641 CA 1.633 154 residues pruned to eliminate duplicates Z: 132 86.638 2.294 0.901 0.643 0.916 0.649 CA 1.658 132 residues pruned to eliminate duplicates Z: 106 79.737 2.290 0.954 0.644 0.933 0.543 CB 1.628 106 residues pruned to eliminate duplicates Z: 131 87.408 2.308 0.910 0.641 0.915 0.615 CA 1.665 131 residues pruned to eliminate duplicates Z: 97 73.743 2.258 0.889 0.676 0.938 0.656 CA 1.599 97 residues pruned to eliminate duplicates Z: 81 65.197 2.278 0.946 0.603 0.887 0.600 CB 1.679 81 residues pruned to eliminate duplicates Z: 107 73.092 2.253 0.871 0.618 0.925 0.575 CB 1.629 107 residues pruned to eliminate duplicates Z: 154 86.295 2.301 0.823 0.642 0.895 0.634 CA 1.627 154 residues pruned to eliminate duplicates Z: 96 67.384 2.240 0.947 0.657 0.895 0.611 CB 1.531 96 residues pruned to eliminate duplicates Z: 152 87.548 2.293 0.926 0.629 0.874 0.576 CB 1.636 152 residues pruned to eliminate duplicates Z: 131 80.639 2.259 0.857 0.646 0.900 0.577 CA 1.635 131 residues pruned to eliminate duplicates Z: 132 81.873 2.295 0.895 0.639 0.893 0.634 CB 1.618 132 residues pruned to eliminate duplicates Z: 117 88.081 2.286 0.886 0.708 0.948 0.690 CB 1.657 117 residues pruned to eliminate duplicates Z: 134 75.781 2.242 0.870 0.610 0.880 0.662 CB 1.605 134 residues pruned to eliminate duplicates Z: 96 77.016 2.263 0.924 0.708 0.926 0.663 CA 1.622 96 residues pruned to eliminate duplicates Z: 132 83.057 2.288 0.869 0.659 0.885 0.580 CB 1.655 132 residues pruned to eliminate duplicates Z: 133 85.144 2.279 0.898 0.631 0.924 0.606 CB 1.639 133 residues pruned to eliminate duplicates Z: 83 62.947 2.263 0.868 0.607 0.902 0.585 CA 1.646 83 residues pruned to eliminate duplicates Z: 81 67.507 2.295 0.919 0.617 0.913 0.500 CB 1.680 81 residues pruned to eliminate duplicates Z: 127 78.339 2.240 0.889 0.636 0.897 0.548 CA 1.620 127 residues pruned to eliminate duplicates Z: 130 89.847 2.307 0.950 0.650 0.915 0.620 CA 1.672 130 residues pruned to eliminate duplicates Z: 127 83.792 2.301 0.902 0.646 0.897 0.651 CA 1.660 127 residues pruned to eliminate duplicates Z: 94 72.582 2.281 0.897 0.667 0.914 0.613 CB 1.631 94 residues pruned to eliminate duplicates Z: 76 67.286 2.233 0.978 0.679 0.933 0.573 CA 1.599 76 residues pruned to eliminate duplicates Z: 55 48.049 2.296 0.902 0.560 0.852 0.574 CB 1.658 55 residues pruned to eliminate duplicates Z: 133 84.203 2.280 0.913 0.635 0.909 0.598 CB 1.628 133 residues pruned to eliminate duplicates Z: 136 87.459 2.270 0.994 0.634 0.911 0.585 CB 1.609 136 residues pruned to eliminate duplicates Z: 56 44.099 2.278 0.750 0.566 0.855 0.473 CB 1.638 56 residues pruned to eliminate duplicates Z: 128 87.347 2.291 0.905 0.658 0.937 0.591 CA 1.636 128 residues pruned to eliminate duplicates Z: 72 69.183 2.244 0.952 0.725 0.944 0.732 CB 1.622 72 residues pruned to eliminate duplicates Z: 118 80.881 2.257 0.861 0.679 0.957 0.650 CA 1.577 118 residues pruned to eliminate duplicates Z: 157 84.502 2.242 0.894 0.614 0.897 0.628 CB 1.593 130 residues pruned to eliminate duplicates Z: 6 5.073 1.620 0.645 0.343 0.800 0.000 O 1.262 6 residues pruned to eliminate duplicates Z: 133 84.248 2.275 0.890 0.643 0.939 0.621 CA 1.587 133 residues pruned to eliminate duplicates Z: 134 86.133 2.271 1.008 0.626 0.895 0.564 CB 1.625 134 residues pruned to eliminate duplicates Z: 126 84.382 2.276 0.918 0.641 0.920 0.656 CA 1.647 126 residues pruned to eliminate duplicates Z: 136 82.474 2.253 0.964 0.608 0.896 0.578 CA 1.616 136 residues pruned to eliminate duplicates Z: 43 41.070 2.279 0.735 0.519 0.929 0.524 CB 1.694 43 residues pruned to eliminate duplicates Z: 132 83.579 2.278 0.884 0.629 0.908 0.595 CA 1.659 132 residues pruned to eliminate duplicates Z: 130 90.167 2.289 0.987 0.638 0.922 0.597 CB 1.662 130 residues pruned to eliminate duplicates Z: 133 90.780 2.298 1.012 0.636 0.909 0.598 CA 1.655 133 residues pruned to eliminate duplicates Z: 134 86.986 2.286 0.914 0.638 0.925 0.632 CB 1.638 134 residues pruned to eliminate duplicates Z: 134 83.080 2.281 0.959 0.621 0.895 0.556 CB 1.608 134 residues pruned to eliminate duplicates Z: 12 21.409 2.136 0.992 0.805 0.818 0.818 CB 1.420 Z: 11 30.265 2.385 1.120 0.913 1.000 0.700 CB 1.339 23 residues pruned to eliminate duplicates Z: 132 76.831 2.248 0.948 0.594 0.870 0.550 CB 1.611 132 residues pruned to eliminate duplicates Z: 131 87.542 2.264 0.995 0.642 0.923 0.562 CB 1.613 131 residues pruned to eliminate duplicates Z: 81 58.778 2.265 0.815 0.593 0.900 0.538 CA 1.625 81 residues pruned to eliminate duplicates Z: 133 86.059 2.286 0.982 0.635 0.894 0.621 CA 1.629 133 residues pruned to eliminate duplicates Z: 130 90.737 2.291 0.933 0.655 0.953 0.605 CA 1.637 130 residues pruned to eliminate duplicates Z: 53 47.709 2.318 0.980 0.589 0.827 0.481 CB 1.600 53 residues pruned to eliminate duplicates Z: 20 29.266 2.373 0.935 0.481 0.895 0.474 CA 1.666 20 residues pruned to eliminate duplicates Z: 36 38.602 2.342 0.928 0.533 0.886 0.486 CB 1.580 33 residues pruned to eliminate duplicates Z: 12 8.286 1.795 0.362 0.408 1.000 0.636 CA 1.125 12 residues pruned to eliminate duplicates Z: 24 13.634 2.079 0.764 0.259 0.652 0.435 CA 1.567 24 residues pruned to eliminate duplicates Z: 36 36.590 2.338 0.845 0.516 0.857 0.600 CB 1.645 36 residues pruned to eliminate duplicates Z: 23 23.249 2.174 0.848 0.436 0.864 0.409 CB 1.526 23 residues pruned to eliminate duplicates Z: 17 18.243 2.221 0.596 0.358 0.812 0.375 CB 1.846 17 residues pruned to eliminate duplicates Z: 34 26.248 2.233 0.894 0.488 0.697 0.394 CB 1.569 34 residues pruned to eliminate duplicates Z: 74 69.318 2.322 0.921 0.647 0.932 0.562 CB 1.702 74 residues pruned to eliminate duplicates Z: 31 37.155 2.359 0.990 0.572 0.833 0.600 CB 1.618 31 residues pruned to eliminate duplicates Z: 21 23.515 2.337 0.682 0.476 0.800 0.550 CA 1.712 21 residues pruned to eliminate duplicates Z: 32 25.070 2.205 0.675 0.516 0.839 0.323 CB 1.431 32 residues pruned to eliminate duplicates Z: 130 85.466 2.273 0.998 0.630 0.899 0.566 CA 1.630 130 residues pruned to eliminate duplicates Z: 102 70.133 2.300 0.848 0.591 0.941 0.584 CB 1.600 102 residues pruned to eliminate duplicates Z: 149 88.548 2.307 0.908 0.640 0.912 0.581 CB 1.590 149 residues pruned to eliminate duplicates Z: 69 42.854 2.198 0.736 0.457 0.941 0.559 CB 1.512 68 residues pruned to eliminate duplicates Z: 17 21.663 2.323 0.753 0.688 0.875 0.625 CA 1.280 17 residues pruned to eliminate duplicates Z: 41 40.007 2.404 0.638 0.509 0.925 0.525 CB 1.721 41 residues pruned to eliminate duplicates Z: 21 30.788 2.465 0.542 0.589 0.950 0.600 CA 1.751 21 residues pruned to eliminate duplicates Z: 27 21.375 2.308 0.464 0.485 0.885 0.500 CB 1.424 27 residues pruned to eliminate duplicates Z: 24 29.163 2.310 0.660 0.529 0.957 0.652 CB 1.612 24 residues pruned to eliminate duplicates Z: 27 31.434 2.382 0.767 0.516 0.923 0.615 CB 1.562 27 residues pruned to eliminate duplicates Z: 36 30.549 2.190 0.560 0.596 0.943 0.686 CA 1.462 36 residues pruned to eliminate duplicates Z: 30 29.360 2.327 0.618 0.508 0.931 0.621 CB 1.542 30 residues pruned to eliminate duplicates Z: 54 40.819 2.351 0.687 0.554 0.849 0.566 CB 1.580 54 residues pruned to eliminate duplicates Z: 27 21.386 2.270 0.473 0.446 0.808 0.500 CA 1.643 27 residues pruned to eliminate duplicates Z: 69 43.809 2.200 0.768 0.474 0.941 0.559 CA 1.490 69 residues pruned to eliminate duplicates Z: 26 33.786 2.400 0.716 0.552 1.000 0.640 CA 1.560 26 residues pruned to eliminate duplicates Z: 27 23.235 2.220 0.399 0.475 0.923 0.500 CA 1.630 27 residues pruned to eliminate duplicates Z: 28 25.160 2.285 0.772 0.505 0.889 0.556 CB 1.339 28 residues pruned to eliminate duplicates Z: 42 40.886 2.351 0.720 0.527 0.951 0.585 CA 1.617 42 residues pruned to eliminate duplicates Z: 23 24.725 2.398 0.447 0.536 0.909 0.727 CA 1.613 23 residues pruned to eliminate duplicates Z: 42 31.543 2.190 0.645 0.490 0.902 0.512 CA 1.531 42 residues pruned to eliminate duplicates Z: 43 32.368 2.144 0.734 0.517 0.905 0.595 CA 1.460 43 residues pruned to eliminate duplicates Z: 154 79.609 2.288 0.682 0.630 0.915 0.660 CA 1.617 154 residues pruned to eliminate duplicates Z: 58 42.937 2.272 0.644 0.529 0.895 0.544 CB 1.653 58 residues pruned to eliminate duplicates Z: 26 19.676 2.262 0.526 0.473 0.800 0.520 CA 1.464 26 residues pruned to eliminate duplicates Z: 69 45.018 2.320 0.670 0.513 0.882 0.603 CA 1.577 69 residues pruned to eliminate duplicates Z: 152 79.136 2.270 0.771 0.580 0.901 0.609 CA 1.646 152 residues pruned to eliminate duplicates Z: 72 49.710 2.292 0.654 0.529 0.944 0.577 CA 1.603 72 residues pruned to eliminate duplicates Z: 55 39.414 2.256 0.649 0.536 0.907 0.519 CA 1.534 55 residues pruned to eliminate duplicates Z: 32 33.264 2.238 0.730 0.559 0.903 0.742 CB 1.613 32 residues pruned to eliminate duplicates Z: 31 26.004 2.254 0.446 0.567 0.867 0.667 CB 1.575 31 residues pruned to eliminate duplicates Z: 66 42.422 2.132 0.637 0.616 0.938 0.662 CA 1.439 66 residues pruned to eliminate duplicates Z: 31 34.223 2.203 0.773 0.579 0.900 0.667 CB 1.647 31 residues pruned to eliminate duplicates Z: 127 75.030 2.267 0.778 0.624 0.905 0.683 CA 1.630 127 residues pruned to eliminate duplicates Z: 31 38.674 2.267 0.925 0.589 0.900 0.667 CB 1.650 31 residues pruned to eliminate duplicates Z: 31 32.201 2.250 0.685 0.577 0.933 0.600 CB 1.543 31 residues pruned to eliminate duplicates Z: 31 32.539 2.257 0.754 0.573 0.867 0.667 CB 1.615 31 residues pruned to eliminate duplicates Z: 71 46.843 2.301 0.635 0.530 0.900 0.671 CA 1.606 71 residues pruned to eliminate duplicates Z: 46 32.983 2.166 0.642 0.491 0.911 0.644 CA 1.532 46 residues pruned to eliminate duplicates Z: 33 29.315 2.204 0.694 0.544 0.906 0.531 CB 1.467 33 residues pruned to eliminate duplicates Z: 129 81.067 2.302 0.848 0.638 0.906 0.617 CA 1.633 129 residues pruned to eliminate duplicates Z: 54 42.137 2.199 0.776 0.638 0.868 0.679 CA 1.501 54 residues pruned to eliminate duplicates Z: 30 33.149 2.250 0.783 0.577 0.862 0.586 CB 1.653 30 residues pruned to eliminate duplicates Z: 30 38.744 2.124 1.079 0.599 0.931 0.621 CA 1.593 30 residues pruned to eliminate duplicates Z: 135 87.982 2.290 0.899 0.644 0.933 0.649 CA 1.637 135 residues pruned to eliminate duplicates Z: 57 54.822 2.253 0.806 0.727 0.946 0.696 CA 1.551 57 residues pruned to eliminate duplicates Z: 154 83.966 2.286 0.822 0.615 0.908 0.627 CA 1.608 154 residues pruned to eliminate duplicates Z: 31 32.352 2.233 0.771 0.557 0.900 0.500 CB 1.570 31 residues pruned to eliminate duplicates Z: 59 46.544 2.189 0.717 0.648 0.914 0.655 CB 1.549 59 residues pruned to eliminate duplicates Z: 31 32.497 2.160 0.785 0.573 0.867 0.467 CB 1.655 31 residues pruned to eliminate duplicates Z: 40 29.076 2.058 0.698 0.578 0.821 0.692 CB 1.507 40 residues pruned to eliminate duplicates Z: 54 36.265 2.129 0.675 0.630 0.811 0.679 CA 1.524 54 residues pruned to eliminate duplicates Z: 37 36.259 2.140 0.716 0.652 0.972 0.556 CB 1.470 37 residues pruned to eliminate duplicates Z: 104 65.002 2.217 0.695 0.648 0.942 0.631 CB 1.576 104 residues pruned to eliminate duplicates Z: 61 53.660 2.229 0.871 0.651 0.933 0.633 CB 1.547 61 residues pruned to eliminate duplicates Z: 108 67.631 2.249 0.753 0.639 0.925 0.654 CA 1.573 108 residues pruned to eliminate duplicates Z: 31 33.414 2.151 0.729 0.677 0.900 0.800 CA 1.549 31 residues pruned to eliminate duplicates Z: 113 76.103 2.260 0.786 0.685 0.938 0.679 CA 1.603 113 residues pruned to eliminate duplicates Z: 98 70.789 2.238 0.771 0.674 0.948 0.639 CA 1.629 98 residues pruned to eliminate duplicates Z: 133 85.614 2.296 0.915 0.640 0.902 0.621 CA 1.649 133 residues pruned to eliminate duplicates Z: 126 80.435 2.287 0.793 0.645 0.936 0.672 CA 1.637 126 residues pruned to eliminate duplicates Z: 131 80.942 2.301 0.814 0.636 0.915 0.631 CA 1.635 131 residues pruned to eliminate duplicates Z: 124 75.129 2.287 0.741 0.651 0.951 0.675 CA 1.554 124 residues pruned to eliminate duplicates Z: 132 83.723 2.278 0.861 0.646 0.916 0.649 CA 1.644 132 residues pruned to eliminate duplicates Z: 72 64.878 2.323 0.843 0.678 0.930 0.676 CA 1.643 72 residues pruned to eliminate duplicates Z: 89 70.101 2.328 0.955 0.638 0.886 0.614 CA 1.628 89 residues pruned to eliminate duplicates Z: 120 84.545 2.266 0.967 0.684 0.908 0.630 CA 1.617 120 residues pruned to eliminate duplicates Z: 131 77.732 2.214 0.868 0.625 0.908 0.592 CA 1.613 131 residues pruned to eliminate duplicates Z: 83 64.566 2.207 0.896 0.649 0.890 0.573 CA 1.666 83 residues pruned to eliminate duplicates Z: 110 78.387 2.221 0.952 0.689 0.899 0.578 CB 1.619 110 residues pruned to eliminate duplicates Z: 114 72.563 2.176 0.877 0.665 0.929 0.593 CA 1.544 114 residues pruned to eliminate duplicates Z: 114 70.703 2.185 0.845 0.673 0.876 0.540 CB 1.605 114 residues pruned to eliminate duplicates Z: 99 71.329 2.274 0.959 0.602 0.898 0.582 CA 1.634 99 residues pruned to eliminate duplicates Z: 106 69.644 2.185 0.869 0.667 0.914 0.514 CB 1.559 106 residues pruned to eliminate duplicates Z: 142 81.839 2.208 0.912 0.627 0.901 0.596 CA 1.608 142 residues pruned to eliminate duplicates Z: 49 48.114 2.202 0.879 0.640 0.917 0.542 CA 1.607 49 residues pruned to eliminate duplicates Z: 65 61.898 2.317 0.793 0.686 0.922 0.672 CB 1.703 65 residues pruned to eliminate duplicates Z: 129 83.353 2.228 0.910 0.662 0.922 0.633 CA 1.617 131 residues pruned to eliminate duplicates Z: 21 33.402 2.286 0.639 0.788 0.950 0.550 CA 1.629 21 residues pruned to eliminate duplicates Z: 130 86.601 2.249 0.963 0.661 0.930 0.620 CA 1.600 130 residues pruned to eliminate duplicates Z: 91 74.759 2.217 1.022 0.715 0.911 0.633 CA 1.588 91 residues pruned to eliminate duplicates Z: 79 70.785 2.333 0.997 0.647 0.897 0.577 CA 1.671 79 residues pruned to eliminate duplicates Z: 121 76.639 2.227 0.922 0.614 0.917 0.467 CB 1.602 121 residues pruned to eliminate duplicates Z: 106 76.604 2.286 0.900 0.651 0.914 0.581 CA 1.636 106 residues pruned to eliminate duplicates Z: 78 70.291 2.259 1.017 0.686 0.909 0.636 CA 1.631 78 residues pruned to eliminate duplicates Z: 115 72.803 2.198 0.964 0.662 0.877 0.579 CA 1.550 115 residues pruned to eliminate duplicates Z: 127 77.366 2.228 0.932 0.642 0.873 0.619 CA 1.607 127 residues pruned to eliminate duplicates Z: 126 76.063 2.213 0.887 0.625 0.912 0.552 CA 1.587 126 residues pruned to eliminate duplicates Z: 106 68.087 2.167 0.886 0.639 0.914 0.590 CA 1.562 106 residues pruned to eliminate duplicates Z: 109 80.630 2.272 1.010 0.654 0.898 0.546 CB 1.639 109 residues pruned to eliminate duplicates Z: 85 61.948 2.273 0.893 0.607 0.881 0.548 CA 1.610 85 residues pruned to eliminate duplicates Z: 117 70.541 2.182 0.885 0.652 0.888 0.578 CA 1.556 117 residues pruned to eliminate duplicates Z: 94 74.681 2.301 1.003 0.631 0.903 0.570 CA 1.645 94 residues pruned to eliminate duplicates Z: 91 77.529 2.264 0.962 0.706 0.911 0.633 CA 1.674 91 residues pruned to eliminate duplicates Z: 110 84.324 2.279 1.001 0.646 0.927 0.633 CA 1.667 110 residues pruned to eliminate duplicates Z: 130 81.442 2.207 0.942 0.668 0.922 0.620 CA 1.553 130 residues pruned to eliminate duplicates Z: 98 78.257 2.213 1.036 0.699 0.907 0.598 CA 1.622 98 residues pruned to eliminate duplicates Z: 163 84.365 2.204 0.889 0.610 0.901 0.611 CB 1.592 163 residues pruned to eliminate duplicates Z: 127 82.627 2.224 0.884 0.663 0.921 0.579 CA 1.641 127 residues pruned to eliminate duplicates Z: 110 79.691 2.256 0.947 0.648 0.917 0.587 CB 1.649 110 residues pruned to eliminate duplicates Z: 109 79.890 2.290 0.946 0.660 0.889 0.602 CA 1.673 109 residues pruned to eliminate duplicates Z: 93 76.326 2.303 0.962 0.654 0.935 0.620 CA 1.632 93 residues pruned to eliminate duplicates Z: 99 70.327 2.257 0.912 0.609 0.908 0.571 CA 1.635 99 residues pruned to eliminate duplicates Z: 125 86.766 2.247 1.025 0.660 0.903 0.597 CB 1.634 125 residues pruned to eliminate duplicates Z: 108 80.554 2.276 0.967 0.637 0.925 0.570 CB 1.653 108 residues pruned to eliminate duplicates Z: 92 69.227 2.276 0.817 0.682 0.901 0.604 CB 1.648 92 residues pruned to eliminate duplicates Z: 62 62.037 2.335 0.908 0.682 0.934 0.623 CA 1.615 62 residues pruned to eliminate duplicates Z: 108 78.244 2.273 0.922 0.658 0.925 0.589 CA 1.616 108 residues pruned to eliminate duplicates Z: 42 51.339 2.271 0.901 0.722 0.902 0.756 CA 1.683 42 residues pruned to eliminate duplicates Z: 135 79.667 2.212 0.945 0.635 0.888 0.590 CA 1.588 135 residues pruned to eliminate duplicates Z: 132 82.363 2.196 0.950 0.663 0.916 0.634 CA 1.577 132 residues pruned to eliminate duplicates Z: 125 87.336 2.253 0.997 0.670 0.903 0.556 CA 1.650 125 residues pruned to eliminate duplicates Z: 132 78.092 2.193 0.950 0.641 0.901 0.618 CA 1.553 132 residues pruned to eliminate duplicates Z: 108 74.319 2.251 0.948 0.636 0.860 0.636 CA 1.677 108 residues pruned to eliminate duplicates Z: 106 81.284 2.291 0.974 0.640 0.914 0.610 CA 1.683 106 residues pruned to eliminate duplicates Z: 138 75.070 2.231 0.894 0.607 0.854 0.518 CB 1.606 138 residues pruned to eliminate duplicates Z: 131 83.960 2.197 0.945 0.651 0.923 0.569 CB 1.623 131 residues pruned to eliminate duplicates Z: 86 67.974 2.284 1.012 0.600 0.882 0.482 CB 1.653 86 residues pruned to eliminate duplicates Z: 100 71.296 2.207 0.955 0.644 0.909 0.545 CB 1.596 100 residues pruned to eliminate duplicates Z: 128 80.452 2.213 0.955 0.640 0.898 0.551 CB 1.613 126 residues pruned to eliminate duplicates Z: 6 4.055 1.820 0.666 0.420 1.000 0.600 CB 0.650 6 residues pruned to eliminate duplicates Z: 124 79.560 2.244 0.953 0.632 0.886 0.610 CB 1.632 124 residues pruned to eliminate duplicates Z: 108 75.578 2.259 0.999 0.630 0.869 0.626 CB 1.647 108 residues pruned to eliminate duplicates Z: 126 81.716 2.211 0.960 0.644 0.912 0.560 CA 1.617 126 residues pruned to eliminate duplicates Z: 132 81.954 2.200 0.931 0.644 0.908 0.557 CA 1.622 132 residues pruned to eliminate duplicates Z: 18 21.479 2.110 0.974 0.574 0.824 0.471 CB 1.415 18 residues pruned to eliminate duplicates Z: 30 29.302 2.195 0.851 0.542 0.828 0.379 CB 1.552 30 residues pruned to eliminate duplicates Z: 34 50.199 2.353 1.038 0.667 0.939 0.394 CB 1.662 34 residues pruned to eliminate duplicates Z: 34 30.584 2.176 1.116 0.475 0.788 0.394 CB 1.506 34 residues pruned to eliminate duplicates Z: 29 36.951 2.266 1.072 0.565 0.893 0.429 CB 1.563 29 residues pruned to eliminate duplicates Z: 112 81.253 2.216 0.972 0.681 0.919 0.568 CA 1.627 112 residues pruned to eliminate duplicates Z: 80 66.035 2.265 0.963 0.607 0.911 0.582 CA 1.656 80 residues pruned to eliminate duplicates Z: 35 32.134 2.259 0.986 0.509 0.765 0.412 CB 1.592 35 residues pruned to eliminate duplicates Z: 37 27.218 2.174 0.829 0.520 0.778 0.361 CB 1.438 37 residues pruned to eliminate duplicates Z: 131 82.002 2.225 0.955 0.655 0.908 0.646 CA 1.577 131 residues pruned to eliminate duplicates Z: 104 85.963 2.301 1.015 0.668 0.922 0.592 CB 1.696 104 residues pruned to eliminate duplicates Z: 39 31.043 2.120 0.915 0.515 0.842 0.526 CB 1.451 39 residues pruned to eliminate duplicates Z: 110 75.820 2.231 0.886 0.645 0.927 0.642 CA 1.627 110 residues pruned to eliminate duplicates Z: 92 73.957 2.304 1.032 0.681 0.890 0.538 CB 1.575 92 residues pruned to eliminate duplicates Z: 38 25.565 2.111 0.866 0.322 0.811 0.486 CB 1.601 38 residues pruned to eliminate duplicates Z: 31 30.599 2.217 0.833 0.516 0.900 0.567 CA 1.503 31 residues pruned to eliminate duplicates Z: 20 25.622 2.201 0.926 0.497 0.947 0.421 CA 1.468 20 residues pruned to eliminate duplicates Z: 129 83.153 2.221 0.917 0.665 0.914 0.562 CA 1.621 129 residues pruned to eliminate duplicates Z: 58 44.715 2.180 0.932 0.550 0.877 0.509 CA 1.526 58 residues pruned to eliminate duplicates Z: 124 82.287 2.241 0.923 0.654 0.927 0.569 CA 1.610 124 residues pruned to eliminate duplicates Z: 31 30.796 2.276 0.748 0.537 0.833 0.600 CA 1.635 31 residues pruned to eliminate duplicates Z: 111 72.119 2.257 0.911 0.607 0.891 0.573 CB 1.617 111 residues pruned to eliminate duplicates Z: 30 32.234 2.273 0.935 0.551 0.793 0.621 CA 1.633 30 residues pruned to eliminate duplicates Z: 59 38.205 2.171 0.861 0.474 0.793 0.534 CB 1.607 59 residues pruned to eliminate duplicates Z: 191 100.164 2.248 0.831 0.623 0.947 0.558 CB 1.660 191 residues pruned to eliminate duplicates Z: 81 54.453 2.289 0.767 0.483 0.887 0.575 CA 1.725 81 residues pruned to eliminate duplicates Z: 92 64.572 2.280 0.894 0.523 0.923 0.593 CB 1.660 93 residues pruned to eliminate duplicates Z: 15 28.963 2.189 0.897 0.693 1.000 0.643 CA 1.562 15 residues pruned to eliminate duplicates Z: 66 52.387 2.285 0.715 0.512 0.969 0.646 CA 1.691 66 residues pruned to eliminate duplicates Z: 52 56.375 2.326 1.038 0.541 0.941 0.765 CB 1.700 52 residues pruned to eliminate duplicates Z: 68 50.242 2.272 0.736 0.530 0.955 0.657 CB 1.582 68 residues pruned to eliminate duplicates Z: 79 55.548 2.309 0.806 0.518 0.872 0.538 CA 1.700 79 residues pruned to eliminate duplicates Z: 44 52.488 2.409 0.855 0.587 0.977 0.651 CA 1.688 44 residues pruned to eliminate duplicates Z: 194 92.673 2.230 0.865 0.589 0.891 0.606 CB 1.653 194 residues pruned to eliminate duplicates Z: 159 85.364 2.285 0.841 0.578 0.899 0.652 CA 1.666 159 residues pruned to eliminate duplicates Z: 69 48.860 2.264 0.743 0.481 0.912 0.544 CB 1.678 69 residues pruned to eliminate duplicates Z: 68 50.755 2.269 0.685 0.505 0.985 0.627 CA 1.638 68 residues pruned to eliminate duplicates Z: 14 31.567 2.116 1.090 0.854 1.000 0.385 CA 1.462 14 residues pruned to eliminate duplicates Z: 64 56.640 2.282 0.835 0.549 0.952 0.619 CB 1.706 64 residues pruned to eliminate duplicates Z: 56 51.923 2.316 0.756 0.562 0.964 0.582 CB 1.683 56 residues pruned to eliminate duplicates Z: 68 49.710 2.269 0.706 0.519 0.925 0.552 CB 1.663 68 residues pruned to eliminate duplicates Z: 66 56.036 2.301 0.846 0.528 0.938 0.631 CB 1.697 66 residues pruned to eliminate duplicates Z: 65 51.660 2.280 0.791 0.543 0.906 0.578 CB 1.673 65 residues pruned to eliminate duplicates Z: 69 51.134 2.277 0.738 0.504 0.941 0.676 CB 1.659 69 residues pruned to eliminate duplicates Z: 72 48.962 2.221 0.776 0.482 0.915 0.563 CB 1.638 72 residues pruned to eliminate duplicates Z: 108 59.871 2.258 0.773 0.500 0.907 0.533 CB 1.594 108 residues pruned to eliminate duplicates Z: 193 92.449 2.244 0.835 0.597 0.901 0.641 CB 1.639 193 residues pruned to eliminate duplicates Z: 52 43.645 2.324 0.756 0.491 0.902 0.608 CA 1.677 52 residues pruned to eliminate duplicates Z: 50 46.387 2.322 0.767 0.509 0.959 0.694 CA 1.669 50 residues pruned to eliminate duplicates Z: 42 50.144 2.415 0.856 0.595 0.927 0.610 CA 1.722 42 residues pruned to eliminate duplicates Z: 174 101.880 2.277 0.919 0.630 0.931 0.642 CA 1.685 174 residues pruned to eliminate duplicates Z: 190 95.738 2.262 0.826 0.609 0.910 0.603 CA 1.670 190 residues pruned to eliminate duplicates Z: 67 53.288 2.285 0.831 0.511 0.924 0.606 CB 1.677 67 residues pruned to eliminate duplicates Z: 73 54.663 2.305 0.837 0.520 0.903 0.597 CA 1.653 73 residues pruned to eliminate duplicates Z: 68 51.102 2.233 0.836 0.540 0.896 0.522 CB 1.635 68 residues pruned to eliminate duplicates Z: 174 87.046 2.270 0.852 0.595 0.861 0.630 CB 1.670 174 residues pruned to eliminate duplicates Z: 64 55.268 2.336 0.812 0.532 0.937 0.667 CB 1.703 64 residues pruned to eliminate duplicates Z: 69 45.078 2.224 0.779 0.492 0.868 0.618 CB 1.605 69 residues pruned to eliminate duplicates Z: 66 53.438 2.296 0.782 0.545 0.938 0.615 CB 1.652 66 residues pruned to eliminate duplicates Z: 125 78.812 2.318 0.849 0.582 0.895 0.565 CA 1.705 125 residues pruned to eliminate duplicates Z: 66 48.804 2.306 0.682 0.497 0.938 0.538 CB 1.668 66 residues pruned to eliminate duplicates Z: 63 53.763 2.320 0.814 0.535 0.919 0.597 CA 1.704 64 residues pruned to eliminate duplicates Z: 14 30.167 2.314 0.766 0.753 1.000 0.462 CA 1.634 14 residues pruned to eliminate duplicates Z: 54 49.268 2.280 0.801 0.522 0.962 0.623 CB 1.677 54 residues pruned to eliminate duplicates Z: 182 94.939 2.263 0.915 0.612 0.890 0.464 CB 1.645 182 residues pruned to eliminate duplicates Z: 69 51.441 2.268 0.806 0.515 0.897 0.588 CB 1.672 69 residues pruned to eliminate duplicates Z: 187 96.640 2.214 0.944 0.595 0.919 0.586 CA 1.635 187 residues pruned to eliminate duplicates Z: 66 55.518 2.300 0.875 0.510 0.938 0.646 CB 1.685 64 residues pruned to eliminate duplicates Z: 7 6.217 1.691 0.678 0.550 0.833 0.833 CB 1.023 7 residues pruned to eliminate duplicates Z: 175 93.750 2.277 0.856 0.597 0.920 0.655 CB 1.667 175 residues pruned to eliminate duplicates Z: 67 45.868 2.273 0.752 0.511 0.879 0.530 CB 1.596 67 residues pruned to eliminate duplicates Z: 171 96.736 2.292 0.932 0.582 0.912 0.565 CB 1.699 171 residues pruned to eliminate duplicates Z: 68 51.102 2.269 0.730 0.537 0.925 0.657 CB 1.658 68 residues pruned to eliminate duplicates Z: 66 50.204 2.289 0.812 0.509 0.908 0.677 CB 1.640 66 residues pruned to eliminate duplicates Z: 193 92.991 2.232 0.861 0.586 0.906 0.594 CB 1.642 193 residues pruned to eliminate duplicates Z: 26 20.897 2.093 0.598 0.437 0.920 0.480 CB 1.450 26 residues pruned to eliminate duplicates Z: 12 12.616 2.086 0.284 0.677 0.909 0.545 CB 1.327 12 residues pruned to eliminate duplicates Z: 11 18.382 2.131 0.580 0.716 1.000 0.500 CB 1.419 12 residues pruned to eliminate duplicates Z: 9 14.979 2.164 0.339 0.860 1.000 0.500 CB 1.344 9 residues pruned to eliminate duplicates Z: 17 15.046 2.028 0.590 0.574 0.875 0.625 CB 1.241 17 residues pruned to eliminate duplicates Z: 66 50.379 2.284 0.817 0.512 0.892 0.585 CB 1.668 66 residues pruned to eliminate duplicates Z: 64 55.810 2.287 0.923 0.519 0.937 0.540 CB 1.675 64 residues pruned to eliminate duplicates Z: 67 52.896 2.294 0.796 0.532 0.924 0.606 CB 1.656 67 residues pruned to eliminate duplicates Z: 18 17.486 1.995 0.777 0.575 0.882 0.529 CB 1.261 17 residues pruned to eliminate duplicates Z: 11 16.372 1.950 0.608 0.802 1.000 0.500 CB 1.268 11 residues pruned to eliminate duplicates Z: 10 20.709 2.067 0.658 0.862 1.000 0.778 CB 1.479 10 residues pruned to eliminate duplicates Z: 6 2.359 1.489 0.287 0.342 0.800 0.600 CB 0.817 6 residues pruned to eliminate duplicates Z: 9 5.405 1.846 0.214 0.460 0.875 0.500 CB 1.015 9 residues pruned to eliminate duplicates Z: 8 4.873 1.718 0.086 0.541 0.857 0.571 N 1.106 8 residues pruned to eliminate duplicates Z: 37 19.114 1.822 0.359 0.650 0.917 0.639 CB 1.220 37 residues pruned to eliminate duplicates Z: 34 19.216 1.881 0.466 0.581 0.879 0.636 CB 1.276 34 residues pruned to eliminate duplicates Z: 32 22.957 1.910 0.470 0.655 0.935 0.581 CB 1.360 32 residues pruned to eliminate duplicates Z: 33 17.466 1.847 0.495 0.485 0.906 0.500 CB 1.252 33 residues pruned to eliminate duplicates Z: 28 17.984 1.879 0.535 0.609 0.889 0.630 CB 1.217 28 residues pruned to eliminate duplicates Z: 35 16.206 1.816 0.443 0.516 0.912 0.618 CB 1.145 35 residues pruned to eliminate duplicates Z: 27 19.446 1.886 0.613 0.627 0.923 0.615 CB 1.204 27 residues pruned to eliminate duplicates Z: 30 15.519 1.817 0.375 0.572 0.862 0.586 CB 1.248 30 residues pruned to eliminate duplicates Z: 28 23.353 1.903 0.486 0.669 0.963 0.704 CB 1.412 28 residues pruned to eliminate duplicates Z: 28 17.690 1.855 0.474 0.594 0.926 0.519 CB 1.229 28 residues pruned to eliminate duplicates Z: 34 19.521 1.848 0.644 0.605 0.818 0.515 CB 1.237 34 residues pruned to eliminate duplicates Z: 26 20.517 1.874 0.588 0.637 0.960 0.520 CB 1.263 26 residues pruned to eliminate duplicates Z: 44 23.428 1.872 0.568 0.671 0.860 0.488 CB 1.207 44 residues pruned to eliminate duplicates Z: 33 19.368 1.858 0.566 0.610 0.906 0.406 CB 1.170 33 residues pruned to eliminate duplicates Z: 32 22.994 1.910 0.747 0.628 0.839 0.581 CB 1.309 32 residues pruned to eliminate duplicates Z: 28 20.886 1.896 0.730 0.659 0.852 0.593 CB 1.242 28 residues pruned to eliminate duplicates Z: 36 22.320 1.856 0.729 0.600 0.886 0.514 CB 1.207 36 residues pruned to eliminate duplicates Z: 30 21.493 1.880 0.802 0.583 0.897 0.483 CB 1.214 30 residues pruned to eliminate duplicates Z: 28 25.065 1.877 1.032 0.636 0.889 0.519 CB 1.253 28 residues pruned to eliminate duplicates Z: 26 21.533 1.908 0.860 0.641 0.920 0.560 CB 1.156 26 residues pruned to eliminate duplicates Z: 46 19.611 1.863 0.557 0.520 0.778 0.467 CB 1.270 46 residues pruned to eliminate duplicates Z: 27 18.416 1.887 0.654 0.642 0.885 0.538 CB 1.145 27 residues pruned to eliminate duplicates Z: 73 36.265 2.029 0.682 0.516 0.861 0.556 CB 1.431 73 residues pruned to eliminate duplicates Z: 28 18.784 1.830 0.685 0.629 0.889 0.370 CB 1.168 28 residues pruned to eliminate duplicates Z: 34 24.184 1.805 0.896 0.600 0.909 0.424 CB 1.231 34 residues pruned to eliminate duplicates Z: 29 20.863 1.906 0.611 0.660 0.857 0.536 CB 1.291 29 residues pruned to eliminate duplicates Z: 49 21.807 1.784 0.726 0.577 0.792 0.458 CB 1.199 49 residues pruned to eliminate duplicates Z: 9 9.400 1.819 0.427 0.725 1.000 0.500 CB 1.045 9 residues pruned to eliminate duplicates Z: 13 10.778 1.688 0.628 0.742 0.917 0.500 CB 0.995 13 residues pruned to eliminate duplicates Z: 46 20.898 1.834 0.508 0.633 0.867 0.644 CB 1.147 46 residues pruned to eliminate duplicates Z: 14 8.206 1.704 0.644 0.599 0.846 0.462 CB 0.874 14 residues pruned to eliminate duplicates Z: 11 9.259 1.748 0.639 0.606 0.900 0.200 CB 1.027 11 residues pruned to eliminate duplicates Z: 32 21.216 1.876 0.704 0.666 0.903 0.613 CB 1.132 32 residues pruned to eliminate duplicates Z: 9 8.230 2.043 0.202 0.628 0.750 0.750 CB 1.400 9 residues pruned to eliminate duplicates Z: 37 28.510 1.960 0.545 0.715 0.972 0.750 CB 1.329 37 residues pruned to eliminate duplicates Z: 37 29.022 1.985 0.548 0.723 1.000 0.639 CB 1.287 37 residues pruned to eliminate duplicates Z: 10 10.482 1.961 0.257 0.608 0.889 0.444 N 1.439 10 residues pruned to eliminate duplicates Z: 45 20.388 1.817 0.603 0.586 0.864 0.500 CB 1.125 45 residues pruned to eliminate duplicates Z: 36 30.949 1.988 0.575 0.747 0.971 0.714 CB 1.380 36 residues pruned to eliminate duplicates Z: 78 34.055 1.898 0.628 0.659 0.909 0.636 CB 1.193 78 residues pruned to eliminate duplicates Z: 71 38.447 1.928 0.662 0.688 0.971 0.543 CB 1.242 71 residues pruned to eliminate duplicates Z: 41 26.638 1.905 0.538 0.662 0.975 0.725 CB 1.269 41 residues pruned to eliminate duplicates Z: 24 19.311 1.874 0.463 0.726 0.913 0.826 CB 1.312 24 residues pruned to eliminate duplicates Z: 75 26.652 1.833 0.525 0.589 0.905 0.581 CB 1.124 75 residues pruned to eliminate duplicates Z: 84 34.223 1.889 0.573 0.613 0.904 0.518 CB 1.257 96 residues pruned to eliminate duplicates Z: 14 20.776 1.914 0.630 0.812 1.000 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 41 29.702 1.929 0.653 0.677 0.975 0.575 CB 1.284 41 residues pruned to eliminate duplicates Z: 77 35.080 1.911 0.567 0.677 0.921 0.566 CB 1.239 77 residues pruned to eliminate duplicates Z: 77 33.819 1.870 0.764 0.647 0.895 0.553 CB 1.145 77 residues pruned to eliminate duplicates Z: 24 27.930 1.960 0.990 0.696 1.000 0.696 CB 1.249 24 residues pruned to eliminate duplicates Z: 43 26.566 1.920 0.629 0.622 0.976 0.643 CB 1.196 43 residues pruned to eliminate duplicates Z: 50 28.298 1.907 0.585 0.694 0.939 0.571 CB 1.194 50 residues pruned to eliminate duplicates Z: 37 30.123 1.996 0.612 0.735 0.972 0.806 CB 1.300 37 residues pruned to eliminate duplicates Z: 35 22.587 1.923 0.553 0.623 0.882 0.706 CB 1.309 35 residues pruned to eliminate duplicates Z: 38 27.743 1.990 0.591 0.672 0.946 0.595 CB 1.300 38 residues pruned to eliminate duplicates Z: 46 25.701 1.891 0.628 0.599 0.911 0.556 CB 1.243 46 residues pruned to eliminate duplicates Z: 47 27.829 1.919 0.472 0.677 0.935 0.609 CB 1.320 47 residues pruned to eliminate duplicates Z: 25 25.095 1.941 0.775 0.713 0.958 0.667 CB 1.279 25 residues pruned to eliminate duplicates Z: 39 31.394 1.962 0.628 0.736 1.000 0.684 CB 1.290 35 residues pruned to eliminate duplicates Z: 18 22.453 1.983 0.707 0.831 0.882 0.529 CA 1.370 18 residues pruned to eliminate duplicates Z: 27 24.923 1.919 0.798 0.662 0.923 0.654 CB 1.320 27 residues pruned to eliminate duplicates Z: 16 21.902 2.007 0.699 0.886 0.933 0.800 CA 1.282 16 residues pruned to eliminate duplicates Z: 26 24.070 1.900 0.780 0.699 0.920 0.520 CB 1.290 26 residues pruned to eliminate duplicates Z: 24 20.886 1.964 0.735 0.653 0.870 0.565 CB 1.275 24 residues pruned to eliminate duplicates Z: 27 19.127 1.859 0.574 0.587 0.885 0.577 CB 1.332 27 residues pruned to eliminate duplicates Z: 23 21.278 1.997 0.690 0.696 0.864 0.636 CB 1.301 23 residues pruned to eliminate duplicates Z: 29 20.000 1.903 0.608 0.548 0.964 0.571 CB 1.222 29 residues pruned to eliminate duplicates 759 residues left after pruning, divided into chains as follows: A: 7 B: 13 C: 6 D: 169 E: 117 F: 153 G: 15 H: 9 I: 194 J: 76 CC for partial structure against native data = 40.91 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.577, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.657, Connect. = 0.753 for dens.mod. cycle 2 = 0.300, Contrast = 0.796, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.813, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.829, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.834, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.839, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.841, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.842, Connect. = 0.789 for dens.mod. cycle 9 TimeTaking 398.23