null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:12:40 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: ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.ins Phases from ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.phi Native data from ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.hkl Listing output to ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.lst Phases output to ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.phs Poly-Ala trace output to ./2hx1-2.1-parrot-noncs/2hx1-2.1-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 21 21 21 Allowed origin shift code: 4 70128 Reflections read from file ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.phi 70128 Reflections read from file ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.hkl 70128 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by -0.000189h^2 +0.000017k^2 +0.000047l^2 +0.000000kl +0.000000hl +0.000000hk 43 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 128 x 256 x 55 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.820 = 0.300, Contrast = 0.329, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.426, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.482, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.496, Connect. = 0.755 for dens.mod. cycle 4 = 0.300, Contrast = 0.504, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.510, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.514, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.518, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.521, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.523, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5405 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1277 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 10.624 1.792 0.602 0.907 1.000 1.000 CB 0.832 B: 17 26.235 1.895 0.914 0.779 1.000 0.812 CA 1.414 C: 15 19.811 1.869 0.858 0.800 0.857 0.786 CA 1.368 D: 13 12.759 1.921 0.546 0.761 0.833 0.667 CB 1.180 E: 15 32.328 2.075 1.093 0.886 1.000 0.571 CB 1.436 F: 15 21.453 1.952 0.527 0.838 0.929 0.571 CA 1.548 15 residues pruned to eliminate duplicates G: 12 20.077 1.959 0.847 0.898 1.000 0.818 CB 1.197 13 residues pruned to eliminate duplicates H: 15 26.621 1.967 0.797 0.913 1.000 0.929 CA 1.424 15 residues pruned to eliminate duplicates I: 14 15.754 1.825 0.612 0.904 1.000 0.846 CB 1.058 J: 10 22.704 2.007 1.087 0.879 1.000 0.444 CB 1.310 K: 16 30.320 2.010 1.092 0.899 1.000 0.733 CB 1.331 16 residues pruned to eliminate duplicates L: 10 20.812 2.024 0.768 0.886 1.000 0.444 CB 1.399 12 residues pruned to eliminate duplicates M: 9 9.137 1.678 0.556 0.623 0.875 0.750 N 1.260 N: 6 2.111 1.545 0.256 0.491 0.800 0.400 CB 0.614 O: 13 21.577 1.999 0.980 0.911 0.917 0.667 CB 1.216 13 residues pruned to eliminate duplicates P: 9 12.026 1.889 0.426 0.897 1.000 1.000 CB 1.130 9 residues pruned to eliminate duplicates Q: 15 24.947 1.977 0.692 0.899 1.000 0.929 CA 1.425 15 residues pruned to eliminate duplicates R: 16 26.898 1.973 0.714 0.863 1.000 0.667 CA 1.507 16 residues pruned to eliminate duplicates S: 10 13.351 1.871 0.437 0.783 0.889 0.556 CB 1.451 T: 16 31.734 2.024 1.178 0.886 1.000 0.467 CB 1.341 16 residues pruned to eliminate duplicates U: 14 18.762 1.839 0.837 0.831 1.000 0.615 CB 1.158 V: 15 11.923 1.732 0.190 0.894 0.929 0.714 CB 1.194 12 residues pruned to eliminate duplicates W: 14 18.975 1.895 0.509 0.923 1.000 0.846 CA 1.293 X: 13 14.978 1.877 0.563 0.867 0.917 0.750 CB 1.176 13 residues pruned to eliminate duplicates Y: 7 5.737 1.770 0.144 0.755 0.667 0.333 CA 1.382 Z: 16 33.095 2.006 1.232 0.889 1.000 0.733 CB 1.374 15 residues pruned to eliminate duplicates Z: 9 20.099 2.028 1.131 0.741 0.875 0.375 CA 1.514 9 residues pruned to eliminate duplicates Z: 10 15.689 1.907 0.895 0.821 0.778 0.333 CB 1.408 10 residues pruned to eliminate duplicates Z: 6 7.753 1.850 0.217 0.683 1.000 0.800 CA 1.302 Z: 19 9.701 1.563 0.929 0.315 0.889 0.611 CA 1.047 Z: 13 16.744 1.833 0.643 0.867 1.000 0.750 CA 1.174 14 residues pruned to eliminate duplicates Z: 17 19.500 1.809 0.531 0.894 1.000 0.938 CA 1.263 Z: 6 8.280 1.891 0.001 0.873 1.000 0.800 CB 1.425 Z: 14 19.224 1.741 0.662 0.840 1.000 0.923 CB 1.376 Z: 15 26.271 2.007 0.578 0.903 1.000 0.714 CA 1.581 15 residues pruned to eliminate duplicates Z: 15 21.572 1.900 0.610 0.877 1.000 0.857 CA 1.369 17 residues pruned to eliminate duplicates Z: 14 13.794 1.789 0.564 0.884 0.923 0.846 CA 1.070 Z: 19 11.952 1.724 0.521 0.469 1.000 0.667 CB 1.109 15 residues pruned to eliminate duplicates Z: 17 22.774 1.960 0.986 0.847 0.875 0.375 CB 1.241 17 residues pruned to eliminate duplicates Z: 16 18.030 1.903 0.505 0.808 0.933 0.800 CA 1.332 16 residues pruned to eliminate duplicates Z: 13 26.323 2.069 0.740 0.931 0.917 0.667 CA 1.608 13 residues pruned to eliminate duplicates Z: 10 7.406 1.811 0.299 0.521 1.000 0.667 CB 1.028 Z: 13 23.750 1.916 0.719 0.894 1.000 0.583 CA 1.494 15 residues pruned to eliminate duplicates Z: 6 2.869 1.594 0.479 0.295 0.600 0.400 CB 1.140 Z: 14 16.253 1.864 0.656 0.878 1.000 0.846 CA 1.060 15 residues pruned to eliminate duplicates Z: 16 21.395 1.918 0.867 0.872 1.000 0.800 CB 1.124 Z: 9 7.182 1.642 0.682 0.706 0.875 0.375 CA 0.871 9 residues pruned to eliminate duplicates Z: 16 9.804 1.782 0.567 0.448 0.933 0.400 CB 1.025 Z: 24 11.180 1.815 0.581 0.375 0.913 0.565 CB 1.018 Z: 7 7.704 1.632 0.395 0.779 0.833 0.667 N 1.296 6 residues pruned to eliminate duplicates Z: 15 9.472 1.851 0.197 0.534 0.857 0.571 CB 1.289 Z: 17 20.682 1.781 0.734 0.847 0.938 0.688 CB 1.326 13 residues pruned to eliminate duplicates Z: 13 16.448 1.838 1.021 0.838 0.917 0.583 CB 1.042 13 residues pruned to eliminate duplicates Z: 14 16.731 1.800 0.686 0.911 1.000 0.923 CB 1.083 13 residues pruned to eliminate duplicates Z: 15 25.003 1.955 0.810 0.866 0.857 0.143 CB 1.613 15 residues pruned to eliminate duplicates Z: 9 11.324 1.845 0.857 0.725 0.875 0.625 CB 1.090 9 residues pruned to eliminate duplicates Z: 14 17.984 1.854 0.358 0.926 1.000 0.846 CA 1.389 13 residues pruned to eliminate duplicates Z: 9 17.283 1.950 0.968 0.845 0.875 0.750 CB 1.354 11 residues pruned to eliminate duplicates Z: 13 21.366 1.748 0.970 0.773 1.000 0.750 CA 1.407 Z: 14 24.191 1.959 0.758 0.892 0.923 0.692 CA 1.516 14 residues pruned to eliminate duplicates Z: 12 19.452 1.789 0.966 0.770 0.909 0.636 CA 1.444 Z: 7 10.012 1.840 0.320 0.904 1.000 1.000 CA 1.198 7 residues pruned to eliminate duplicates Z: 15 25.171 2.079 0.675 0.934 1.000 0.714 CB 1.346 15 residues pruned to eliminate duplicates Z: 15 19.831 1.866 0.639 0.805 0.929 0.714 CA 1.430 15 residues pruned to eliminate duplicates Z: 6 10.681 1.805 0.574 0.641 1.000 0.600 CB 1.474 Z: 11 16.658 1.897 0.393 0.927 1.000 0.900 CB 1.398 Z: 14 11.307 1.760 0.779 0.336 0.923 0.538 CA 1.298 Z: 14 16.719 1.734 0.507 0.842 1.000 0.462 CB 1.322 11 residues pruned to eliminate duplicates Z: 13 17.443 1.748 0.737 0.831 0.917 0.500 CA 1.359 13 residues pruned to eliminate duplicates Z: 16 15.490 1.838 0.484 0.841 0.867 0.800 CA 1.261 16 residues pruned to eliminate duplicates Z: 18 21.796 1.834 0.715 0.781 1.000 0.588 CA 1.312 18 residues pruned to eliminate duplicates Z: 12 14.256 1.774 0.755 0.897 0.909 0.636 CB 1.087 Z: 13 7.370 1.646 0.699 0.345 0.833 0.417 CB 1.081 Z: 17 24.361 1.937 0.812 0.881 1.000 0.812 CA 1.257 17 residues pruned to eliminate duplicates Z: 17 23.529 1.939 0.738 0.887 1.000 0.875 CB 1.258 17 residues pruned to eliminate duplicates Z: 12 12.313 1.922 0.117 0.905 1.000 0.818 CB 1.231 12 residues pruned to eliminate duplicates Z: 6 8.518 1.833 0.617 0.656 0.800 0.400 CB 1.390 Z: 13 4.825 1.696 0.593 0.317 0.667 0.500 CB 0.946 13 residues pruned to eliminate duplicates Z: 12 17.456 1.935 0.406 0.928 1.000 0.818 CB 1.355 12 residues pruned to eliminate duplicates Z: 14 13.200 1.802 0.338 0.891 0.923 0.769 CA 1.183 14 residues pruned to eliminate duplicates Z: 6 2.242 1.582 0.278 0.460 0.600 0.600 CB 0.860 Z: 8 7.721 1.694 0.261 0.830 0.857 0.714 CA 1.199 8 residues pruned to eliminate duplicates Z: 13 20.408 1.772 0.984 0.776 1.000 0.500 CA 1.313 13 residues pruned to eliminate duplicates Z: 15 14.195 1.683 0.686 0.867 1.000 0.714 CA 0.978 14 residues pruned to eliminate duplicates Z: 16 18.811 1.825 0.750 0.857 0.933 0.867 CA 1.200 16 residues pruned to eliminate duplicates Z: 28 19.198 1.785 0.746 0.434 0.926 0.593 CA 1.370 29 residues pruned to eliminate duplicates Z: 12 18.615 1.968 0.804 0.884 0.909 0.636 CB 1.257 12 residues pruned to eliminate duplicates Z: 13 16.814 1.703 0.789 0.748 1.000 0.833 CA 1.277 13 residues pruned to eliminate duplicates Z: 10 10.581 1.589 0.758 0.755 0.889 0.556 CA 1.132 Z: 6 5.554 1.723 0.294 0.875 1.000 1.000 CB 0.810 Z: 13 5.832 1.664 0.640 0.397 0.583 0.500 CB 1.179 Z: 17 24.340 1.907 0.561 0.888 1.000 0.875 CA 1.473 17 residues pruned to eliminate duplicates Z: 9 15.292 1.944 0.625 0.910 1.000 0.750 CA 1.214 Z: 14 16.743 1.753 0.635 0.865 1.000 0.769 CB 1.187 16 residues pruned to eliminate duplicates Z: 15 27.385 2.011 0.677 0.873 1.000 0.786 CA 1.581 15 residues pruned to eliminate duplicates Z: 11 12.482 1.885 0.562 0.890 0.800 0.700 CB 1.206 11 residues pruned to eliminate duplicates Z: 14 18.833 1.818 0.836 0.875 0.923 0.846 CA 1.234 15 residues pruned to eliminate duplicates Z: 14 16.893 1.696 0.617 0.905 1.000 0.846 CB 1.216 14 residues pruned to eliminate duplicates Z: 7 6.533 1.475 0.725 0.391 1.000 0.667 CB 1.176 Z: 6 6.912 1.759 0.689 0.804 1.000 1.000 CA 0.798 6 residues pruned to eliminate duplicates Z: 26 16.311 1.809 0.755 0.404 0.960 0.520 CB 1.184 12 residues pruned to eliminate duplicates Z: 8 9.692 1.696 0.490 0.877 1.000 1.000 CB 1.053 Z: 14 14.138 1.699 0.578 0.816 1.000 0.846 CA 1.111 14 residues pruned to eliminate duplicates Z: 9 19.900 1.960 0.908 0.866 1.000 0.875 CA 1.377 9 residues pruned to eliminate duplicates Z: 10 8.562 1.682 0.274 0.835 1.000 0.778 CB 0.998 8 residues pruned to eliminate duplicates Z: 11 15.325 1.681 0.727 0.861 1.000 0.800 CA 1.226 9 residues pruned to eliminate duplicates Z: 12 14.627 1.862 0.534 0.927 1.000 0.909 CB 1.082 12 residues pruned to eliminate duplicates Z: 18 21.823 1.686 1.112 0.889 0.941 0.882 CB 1.137 Z: 11 16.855 1.996 0.737 0.894 1.000 0.700 CB 1.103 11 residues pruned to eliminate duplicates Z: 6 6.179 1.805 0.248 0.779 0.800 0.600 N 1.200 6 residues pruned to eliminate duplicates Z: 12 17.942 1.822 0.569 0.843 1.000 0.545 N 1.409 Z: 13 13.612 1.671 0.445 0.841 0.917 0.250 CA 1.324 13 residues pruned to eliminate duplicates Z: 14 14.969 1.777 0.817 0.817 0.846 0.692 CA 1.154 14 residues pruned to eliminate duplicates Z: 9 9.237 1.698 0.705 0.500 0.875 0.625 C 1.290 Z: 13 19.040 1.807 0.621 0.889 1.000 0.583 CB 1.352 14 residues pruned to eliminate duplicates Z: 9 20.570 1.958 1.081 0.871 1.000 0.625 CB 1.303 9 residues pruned to eliminate duplicates Z: 11 15.667 1.942 0.932 0.917 1.000 0.600 CB 0.932 11 residues pruned to eliminate duplicates Z: 13 13.443 1.685 0.484 0.804 1.000 0.583 CA 1.189 12 residues pruned to eliminate duplicates Z: 7 5.097 1.568 0.188 0.792 1.000 0.667 N 0.864 7 residues pruned to eliminate duplicates Z: 13 5.499 1.632 0.706 0.336 0.667 0.167 CB 1.022 Z: 13 14.019 1.817 0.799 0.888 0.917 0.750 CA 0.973 13 residues pruned to eliminate duplicates Z: 6 7.919 1.782 0.211 0.845 1.000 1.000 CA 1.220 Z: 12 12.084 1.586 0.767 0.766 0.909 0.636 CB 1.129 12 residues pruned to eliminate duplicates Z: 11 11.487 1.722 0.602 0.830 1.000 0.600 CB 0.990 Z: 8 6.804 1.489 0.387 0.794 1.000 0.286 CB 0.963 Z: 39 22.911 1.770 0.683 0.480 0.947 0.553 CB 1.343 12 residues pruned to eliminate duplicates Z: 10 21.678 1.977 0.825 0.929 1.000 0.444 CB 1.402 10 residues pruned to eliminate duplicates Z: 26 23.853 1.820 0.832 0.631 0.920 0.720 CB 1.375 15 residues pruned to eliminate duplicates Z: 18 12.248 1.681 0.636 0.724 0.882 0.647 CB 0.999 Z: 12 21.251 1.958 0.649 0.927 1.000 0.455 CB 1.391 12 residues pruned to eliminate duplicates Z: 36 24.569 1.844 0.628 0.497 1.000 0.543 CB 1.388 25 residues pruned to eliminate duplicates Z: 13 18.199 1.734 0.876 0.756 0.917 0.500 CB 1.403 13 residues pruned to eliminate duplicates Z: 11 9.802 1.633 0.220 0.897 1.000 0.900 CB 1.114 Z: 14 15.036 1.712 0.469 0.845 1.000 0.923 CB 1.233 12 residues pruned to eliminate duplicates Z: 13 18.633 1.853 0.562 0.891 1.000 0.750 CB 1.336 13 residues pruned to eliminate duplicates Z: 8 7.899 1.609 0.447 0.459 1.000 0.714 N 1.338 8 residues pruned to eliminate duplicates Z: 7 3.846 1.726 0.490 0.512 0.667 0.500 CB 0.905 7 residues pruned to eliminate duplicates Z: 8 6.572 1.832 0.346 0.779 0.857 0.571 CB 0.919 8 residues pruned to eliminate duplicates Z: 23 13.290 1.744 0.671 0.555 0.773 0.591 CB 1.193 23 residues pruned to eliminate duplicates Z: 14 18.040 1.813 0.573 0.847 0.923 0.462 CB 1.412 14 residues pruned to eliminate duplicates Z: 14 16.518 1.692 0.815 0.824 1.000 0.846 CA 1.127 14 residues pruned to eliminate duplicates Z: 16 9.818 1.735 0.731 0.417 0.933 0.533 CB 0.986 14 residues pruned to eliminate duplicates Z: 12 10.258 1.714 0.637 0.924 1.000 1.000 CB 0.774 Z: 12 15.752 1.707 0.609 0.879 1.000 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 6 5.425 1.728 0.099 0.802 1.000 0.800 CB 0.981 Z: 16 22.527 1.856 0.828 0.871 0.933 0.667 CA 1.339 18 residues pruned to eliminate duplicates Z: 13 13.519 1.665 0.702 0.803 1.000 0.500 CB 1.057 13 residues pruned to eliminate duplicates Z: 35 14.089 1.694 0.537 0.521 0.765 0.559 CA 1.188 22 residues pruned to eliminate duplicates Z: 11 16.993 1.902 0.819 0.827 1.000 0.700 CB 1.171 11 residues pruned to eliminate duplicates Z: 35 21.405 1.841 0.602 0.522 0.912 0.676 CB 1.335 34 residues pruned to eliminate duplicates Z: 17 18.891 1.753 0.974 0.822 0.812 0.438 CB 1.271 17 residues pruned to eliminate duplicates Z: 13 20.387 1.856 0.902 0.897 0.917 0.667 CA 1.302 13 residues pruned to eliminate duplicates Z: 9 9.714 1.859 0.858 0.458 0.875 0.625 CB 1.186 9 residues pruned to eliminate duplicates Z: 8 8.684 1.825 0.736 0.741 0.571 0.286 CA 1.460 8 residues pruned to eliminate duplicates Z: 11 10.438 1.514 0.531 0.888 1.000 0.900 CB 1.026 Z: 18 7.671 1.523 0.469 0.343 0.882 0.412 CB 1.118 17 residues pruned to eliminate duplicates Z: 6 9.277 1.928 0.761 0.873 1.000 0.800 CB 0.890 6 residues pruned to eliminate duplicates Z: 13 20.254 1.686 0.966 0.845 1.000 0.583 CA 1.312 13 residues pruned to eliminate duplicates Z: 19 11.719 1.782 0.831 0.538 0.833 0.667 CB 0.979 Z: 14 24.869 2.037 0.657 0.902 1.000 0.692 CA 1.457 14 residues pruned to eliminate duplicates Z: 19 7.655 1.633 0.421 0.282 0.889 0.444 CB 1.119 Z: 9 15.964 1.739 0.917 0.847 1.000 0.500 CA 1.257 10 residues pruned to eliminate duplicates Z: 13 17.915 1.731 0.883 0.796 0.917 0.667 CA 1.336 13 residues pruned to eliminate duplicates Z: 22 9.439 1.663 0.526 0.279 0.905 0.524 CB 1.152 21 residues pruned to eliminate duplicates Z: 10 12.521 1.756 0.967 0.813 0.778 0.333 CB 1.183 10 residues pruned to eliminate duplicates Z: 8 9.964 1.833 0.717 0.787 0.714 0.714 CB 1.303 6 residues pruned to eliminate duplicates Z: 16 24.418 1.841 0.827 0.891 1.000 0.733 CA 1.348 16 residues pruned to eliminate duplicates Z: 28 16.688 1.822 0.671 0.565 0.741 0.296 CB 1.337 25 residues pruned to eliminate duplicates Z: 6 5.921 1.730 0.511 0.614 0.800 0.600 CB 1.137 6 residues pruned to eliminate duplicates Z: 16 23.404 1.835 0.694 0.866 1.000 0.733 CA 1.423 18 residues pruned to eliminate duplicates Z: 15 11.442 1.610 0.495 0.844 0.857 0.571 CB 1.103 15 residues pruned to eliminate duplicates Z: 10 13.962 1.641 0.802 0.864 1.000 0.778 CA 1.154 9 residues pruned to eliminate duplicates Z: 6 8.073 1.626 0.633 0.858 0.800 0.800 CA 1.251 6 residues pruned to eliminate duplicates Z: 13 20.117 1.912 0.544 0.924 1.000 0.667 CB 1.381 13 residues pruned to eliminate duplicates Z: 14 12.348 1.646 0.402 0.757 0.923 0.692 CA 1.279 14 residues pruned to eliminate duplicates Z: 16 15.154 1.754 0.749 0.520 0.933 0.733 CA 1.340 16 residues pruned to eliminate duplicates Z: 11 13.403 1.960 0.830 0.892 0.900 0.600 CB 0.944 11 residues pruned to eliminate duplicates Z: 16 27.927 1.997 0.901 0.905 1.000 0.800 CA 1.351 16 residues pruned to eliminate duplicates Z: 8 12.043 1.829 0.736 0.608 1.000 0.714 CB 1.293 7 residues pruned to eliminate duplicates Z: 6 8.709 1.632 0.627 0.838 1.000 0.800 CA 1.096 6 residues pruned to eliminate duplicates Z: 10 6.119 1.782 0.067 0.523 1.000 0.667 CB 1.049 10 residues pruned to eliminate duplicates Z: 13 17.869 1.759 1.207 0.755 0.917 0.583 CA 1.155 13 residues pruned to eliminate duplicates Z: 11 9.415 1.623 0.190 0.901 1.000 0.800 CB 1.101 11 residues pruned to eliminate duplicates Z: 12 12.822 1.769 0.202 0.913 1.000 1.000 CB 1.287 12 residues pruned to eliminate duplicates Z: 15 10.175 1.627 0.791 0.391 0.857 0.643 CA 1.223 13 residues pruned to eliminate duplicates Z: 17 11.724 1.682 0.577 0.614 0.875 0.562 CB 1.133 17 residues pruned to eliminate duplicates Z: 13 19.101 1.747 1.051 0.829 1.000 0.750 CA 1.157 13 residues pruned to eliminate duplicates Z: 13 13.680 1.711 0.580 0.906 1.000 0.833 CB 1.039 Z: 15 16.991 1.663 0.724 0.853 0.929 0.571 CB 1.261 15 residues pruned to eliminate duplicates Z: 15 6.452 1.717 0.545 0.299 0.857 0.571 CB 0.949 Z: 13 12.801 1.781 0.813 0.851 0.750 0.667 CB 1.129 6 residues pruned to eliminate duplicates Z: 11 10.615 1.698 0.507 0.799 0.900 0.600 CA 1.122 11 residues pruned to eliminate duplicates Z: 13 11.326 1.526 0.337 0.912 1.000 0.750 CB 1.135 11 residues pruned to eliminate duplicates Z: 7 12.128 1.869 0.594 0.810 1.000 0.833 CB 1.268 7 residues pruned to eliminate duplicates Z: 6 8.505 1.818 0.116 0.873 1.000 0.800 CA 1.365 5 residues pruned to eliminate duplicates Z: 23 15.625 1.751 0.439 0.553 0.909 0.500 CB 1.382 23 residues pruned to eliminate duplicates Z: 11 6.849 1.689 0.590 0.466 0.800 0.600 CB 1.044 Z: 38 14.837 1.607 0.515 0.464 0.946 0.568 CB 1.098 38 residues pruned to eliminate duplicates Z: 11 11.860 1.700 0.492 0.792 1.000 0.700 CA 1.145 11 residues pruned to eliminate duplicates Z: 17 22.013 1.785 0.840 0.920 0.938 0.750 CB 1.259 18 residues pruned to eliminate duplicates Z: 19 8.817 1.649 0.502 0.346 0.889 0.500 CB 1.116 Z: 13 13.311 1.895 0.589 0.862 0.917 0.750 CA 1.022 13 residues pruned to eliminate duplicates Z: 11 11.461 1.800 0.497 0.631 0.900 0.600 CB 1.320 7 residues pruned to eliminate duplicates Z: 13 21.290 1.775 0.820 0.842 1.000 0.750 CA 1.418 13 residues pruned to eliminate duplicates Z: 7 9.056 1.771 0.486 0.817 0.833 0.667 CB 1.281 8 residues pruned to eliminate duplicates Z: 12 13.031 1.786 0.532 0.893 1.000 0.909 CB 1.031 12 residues pruned to eliminate duplicates Z: 7 13.166 1.755 0.714 0.755 1.000 0.333 CB 1.424 7 residues pruned to eliminate duplicates Z: 18 18.166 1.713 0.728 0.783 0.941 0.765 CA 1.232 16 residues pruned to eliminate duplicates Z: 43 18.335 1.799 0.615 0.502 0.905 0.571 CB 1.074 43 residues pruned to eliminate duplicates Z: 13 13.885 1.713 0.360 0.897 1.000 0.750 CA 1.231 13 residues pruned to eliminate duplicates Z: 6 5.064 1.799 0.219 0.455 1.000 0.600 CA 1.082 5 residues pruned to eliminate duplicates Z: 12 6.384 1.666 0.598 0.452 0.727 0.636 CB 1.044 Z: 13 15.133 1.749 0.799 0.871 0.917 0.667 CB 1.105 13 residues pruned to eliminate duplicates Z: 14 6.497 1.447 0.381 0.422 0.923 0.615 N 1.059 Z: 10 11.504 1.639 0.584 0.839 1.000 0.778 CB 1.103 8 residues pruned to eliminate duplicates Z: 16 21.272 1.615 0.877 0.845 1.000 0.733 CB 1.348 16 residues pruned to eliminate duplicates Z: 13 18.327 1.679 0.756 0.825 1.000 0.667 CA 1.355 13 residues pruned to eliminate duplicates Z: 6 14.174 1.947 0.870 0.800 1.000 0.800 CA 1.340 7 residues pruned to eliminate duplicates Z: 8 13.336 1.775 0.720 0.839 1.000 0.571 CA 1.233 8 residues pruned to eliminate duplicates Z: 8 11.914 1.798 0.660 0.829 1.000 0.714 CB 1.136 7 residues pruned to eliminate duplicates Z: 7 10.251 1.761 0.367 0.804 1.000 0.667 CA 1.333 7 residues pruned to eliminate duplicates Z: 26 21.177 1.834 0.629 0.504 1.000 0.760 CA 1.411 16 residues pruned to eliminate duplicates Z: 25 12.824 1.700 0.630 0.386 0.917 0.583 CB 1.163 10 residues pruned to eliminate duplicates Z: 13 12.149 1.874 0.586 0.758 0.833 0.500 CB 1.126 13 residues pruned to eliminate duplicates Z: 13 4.910 1.639 0.722 0.332 0.667 0.500 CB 0.906 13 residues pruned to eliminate duplicates Z: 36 23.668 1.891 0.722 0.513 0.914 0.629 CB 1.326 18 residues pruned to eliminate duplicates Z: 12 17.080 1.965 0.555 0.866 1.000 0.636 CB 1.234 12 residues pruned to eliminate duplicates Z: 29 20.849 1.784 0.790 0.459 0.893 0.500 CB 1.441 26 residues pruned to eliminate duplicates Z: 12 13.460 1.803 0.476 0.898 0.909 0.545 CB 1.200 12 residues pruned to eliminate duplicates Z: 20 13.006 1.746 0.487 0.447 0.895 0.632 CA 1.357 7 residues pruned to eliminate duplicates Z: 31 21.492 1.808 0.773 0.575 0.833 0.567 CA 1.366 18 residues pruned to eliminate duplicates Z: 7 3.813 1.681 0.681 0.573 0.667 0.667 CB 0.770 Z: 41 24.461 1.839 0.718 0.494 0.975 0.525 CB 1.263 41 residues pruned to eliminate duplicates Z: 10 15.527 1.791 0.727 0.890 1.000 0.778 CA 1.204 8 residues pruned to eliminate duplicates Z: 9 10.638 1.608 0.430 0.817 1.000 0.875 CB 1.242 8 residues pruned to eliminate duplicates Z: 15 20.765 1.839 0.661 0.840 1.000 0.500 CA 1.356 15 residues pruned to eliminate duplicates Z: 12 17.587 1.932 0.683 0.855 1.000 0.818 CB 1.204 12 residues pruned to eliminate duplicates Z: 14 8.548 1.735 0.739 0.555 0.692 0.462 CB 1.076 14 residues pruned to eliminate duplicates Z: 15 15.622 1.602 0.913 0.685 1.000 0.786 CA 1.150 15 residues pruned to eliminate duplicates Z: 17 9.359 1.640 0.689 0.432 0.812 0.500 CB 1.115 17 residues pruned to eliminate duplicates Z: 13 7.167 1.635 0.287 0.432 0.833 0.583 CB 1.265 13 residues pruned to eliminate duplicates Z: 17 24.903 1.800 0.841 0.926 1.000 0.938 CB 1.318 17 residues pruned to eliminate duplicates Z: 6 3.967 1.564 0.807 0.756 0.600 0.400 CA 0.832 6 residues pruned to eliminate duplicates Z: 12 12.261 1.726 0.716 0.794 0.727 0.182 CA 1.326 12 residues pruned to eliminate duplicates Z: 20 17.963 1.850 0.625 0.601 0.842 0.632 CB 1.479 20 residues pruned to eliminate duplicates Z: 6 3.052 1.590 0.187 0.421 0.800 0.400 O 0.982 Z: 12 20.499 1.953 0.644 0.898 1.000 0.818 CB 1.377 13 residues pruned to eliminate duplicates Z: 16 13.795 1.790 0.999 0.499 0.800 0.400 CA 1.245 16 residues pruned to eliminate duplicates Z: 6 7.532 1.645 0.741 0.591 1.000 0.600 N 1.078 6 residues pruned to eliminate duplicates Z: 12 17.614 1.990 0.800 0.885 0.909 0.636 CB 1.177 12 residues pruned to eliminate duplicates Z: 44 19.944 1.758 0.758 0.505 0.814 0.419 CB 1.203 47 residues pruned to eliminate duplicates Z: 12 10.128 1.733 0.472 0.907 0.909 0.727 CB 0.936 11 residues pruned to eliminate duplicates Z: 35 13.048 1.635 0.827 0.299 0.824 0.529 CB 1.139 33 residues pruned to eliminate duplicates Z: 13 14.888 1.706 0.477 0.862 1.000 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 9 5.433 1.630 0.476 0.348 0.875 0.625 CB 1.075 Z: 51 27.068 1.810 0.707 0.625 0.920 0.700 CB 1.197 27 residues pruned to eliminate duplicates Z: 8 9.753 1.826 0.310 0.847 1.000 0.857 CB 1.144 8 residues pruned to eliminate duplicates Z: 13 17.944 1.692 0.695 0.802 1.000 0.583 CB 1.387 13 residues pruned to eliminate duplicates Z: 13 16.813 1.788 0.582 0.785 1.000 0.417 CA 1.336 13 residues pruned to eliminate duplicates Z: 14 9.861 1.625 0.685 0.865 0.846 0.692 CB 0.865 13 residues pruned to eliminate duplicates Z: 13 16.050 1.665 0.774 0.817 0.917 0.667 CA 1.299 13 residues pruned to eliminate duplicates Z: 12 21.288 1.959 0.853 0.921 0.909 0.364 CA 1.369 12 residues pruned to eliminate duplicates Z: 9 6.747 1.746 0.185 0.740 0.875 0.625 CB 1.063 9 residues pruned to eliminate duplicates Z: 13 16.894 1.780 0.614 0.845 1.000 0.583 CA 1.262 13 residues pruned to eliminate duplicates Z: 17 20.505 1.949 0.806 0.866 0.938 0.875 CA 1.137 17 residues pruned to eliminate duplicates Z: 11 7.651 1.551 0.336 0.875 0.800 0.700 CB 1.061 10 residues pruned to eliminate duplicates Z: 11 6.606 1.705 0.110 0.885 1.000 0.700 CB 0.797 11 residues pruned to eliminate duplicates Z: 12 7.134 1.651 0.329 0.526 0.909 0.545 CB 1.051 14 residues pruned to eliminate duplicates Z: 18 8.974 1.708 0.379 0.321 0.882 0.353 CB 1.276 11 residues pruned to eliminate duplicates Z: 16 20.933 1.832 0.575 0.844 1.000 0.800 CB 1.393 16 residues pruned to eliminate duplicates Z: 10 15.746 1.953 0.753 0.804 0.778 0.333 CA 1.511 11 residues pruned to eliminate duplicates Z: 15 19.491 1.941 0.872 0.854 1.000 0.714 CB 1.059 15 residues pruned to eliminate duplicates Z: 11 16.581 1.841 0.532 0.923 1.000 0.800 CB 1.306 11 residues pruned to eliminate duplicates Z: 68 32.336 1.877 0.865 0.452 0.866 0.627 CA 1.369 50 residues pruned to eliminate duplicates Z: 10 14.227 1.760 0.606 0.817 1.000 0.778 CA 1.275 10 residues pruned to eliminate duplicates Z: 16 16.348 1.913 0.504 0.801 1.000 0.733 CB 1.128 15 residues pruned to eliminate duplicates Z: 14 14.566 1.887 0.939 0.686 1.000 0.615 CB 0.931 14 residues pruned to eliminate duplicates Z: 16 23.225 1.846 0.805 0.897 0.933 0.600 CA 1.380 16 residues pruned to eliminate duplicates Z: 15 11.747 1.729 0.626 0.393 0.929 0.571 CB 1.347 16 residues pruned to eliminate duplicates Z: 10 13.059 1.763 0.697 0.889 1.000 0.778 CA 1.047 10 residues pruned to eliminate duplicates Z: 6 9.354 1.748 0.730 0.860 0.800 0.600 CA 1.272 6 residues pruned to eliminate duplicates Z: 12 12.419 1.652 0.451 0.897 1.000 0.727 CB 1.119 12 residues pruned to eliminate duplicates Z: 7 9.167 1.760 0.540 0.516 1.000 0.667 CA 1.359 7 residues pruned to eliminate duplicates Z: 6 3.215 1.606 0.251 0.295 0.800 0.400 C 1.126 Z: 6 6.639 1.821 0.463 0.757 0.800 0.800 CB 1.108 Z: 8 15.624 1.794 0.886 0.831 1.000 0.857 CA 1.311 8 residues pruned to eliminate duplicates Z: 17 16.812 1.925 0.181 0.850 1.000 0.875 CA 1.369 17 residues pruned to eliminate duplicates Z: 7 6.028 1.465 1.073 0.508 0.833 0.667 CA 0.964 Z: 8 7.782 1.873 0.299 0.815 1.000 0.714 CB 0.919 8 residues pruned to eliminate duplicates Z: 10 4.416 1.568 0.273 0.273 0.889 0.556 CB 1.073 10 residues pruned to eliminate duplicates Z: 10 2.577 1.471 0.460 0.329 0.444 0.333 CB 1.086 Z: 12 8.642 1.538 0.188 0.892 1.000 0.818 CB 1.025 12 residues pruned to eliminate duplicates Z: 16 20.960 1.837 0.806 0.840 0.933 0.600 CB 1.304 16 residues pruned to eliminate duplicates Z: 10 8.049 1.797 0.522 0.443 0.778 0.556 CB 1.337 10 residues pruned to eliminate duplicates Z: 8 8.624 1.729 0.442 0.863 0.857 0.571 CB 1.119 8 residues pruned to eliminate duplicates Z: 12 6.553 1.610 0.392 0.414 0.818 0.545 CA 1.179 12 residues pruned to eliminate duplicates Z: 7 9.942 1.724 0.424 0.802 1.000 0.833 CA 1.270 7 residues pruned to eliminate duplicates Z: 20 8.046 1.698 0.376 0.414 0.789 0.368 CB 1.095 20 residues pruned to eliminate duplicates Z: 9 8.521 1.687 0.682 0.356 1.000 0.625 CB 1.240 10 residues pruned to eliminate duplicates Z: 6 2.896 1.422 0.081 0.639 0.800 0.600 CB 0.925 6 residues pruned to eliminate duplicates Z: 6 2.154 1.362 0.409 0.437 0.600 0.600 CA 0.893 Z: 7 3.547 1.437 0.763 0.552 0.667 0.667 CB 0.815 Z: 17 16.627 1.684 0.508 0.888 0.938 0.875 CB 1.258 17 residues pruned to eliminate duplicates Z: 13 16.492 1.863 0.372 0.871 1.000 0.833 CA 1.359 12 residues pruned to eliminate duplicates Z: 10 18.354 1.944 0.804 0.893 1.000 0.778 CB 1.252 11 residues pruned to eliminate duplicates Z: 13 17.629 1.905 0.399 0.903 1.000 0.833 CB 1.360 13 residues pruned to eliminate duplicates Z: 7 8.976 1.510 0.738 0.857 1.000 0.500 CA 1.029 7 residues pruned to eliminate duplicates Z: 7 5.101 1.530 0.660 0.541 0.833 0.667 CB 0.946 Z: 12 4.126 1.726 0.249 0.231 0.727 0.455 CB 1.086 12 residues pruned to eliminate duplicates Z: 29 17.775 1.762 0.622 0.585 0.964 0.750 CB 1.123 28 residues pruned to eliminate duplicates Z: 12 12.959 1.837 0.485 0.908 1.000 0.909 CB 1.018 12 residues pruned to eliminate duplicates Z: 17 17.915 1.828 0.477 0.810 1.000 0.688 CA 1.265 17 residues pruned to eliminate duplicates Z: 18 15.003 1.746 0.793 0.402 1.000 0.765 CB 1.290 18 residues pruned to eliminate duplicates Z: 14 14.765 1.762 0.736 0.851 0.923 0.846 CB 1.074 14 residues pruned to eliminate duplicates Z: 8 4.047 1.721 0.252 0.507 0.857 0.571 CB 0.822 8 residues pruned to eliminate duplicates Z: 14 17.510 1.842 0.470 0.920 0.923 0.769 CB 1.368 14 residues pruned to eliminate duplicates Z: 12 13.332 1.718 0.421 0.897 1.000 0.909 CB 1.179 12 residues pruned to eliminate duplicates Z: 9 4.636 1.579 0.392 0.450 0.875 0.750 CB 0.898 Z: 13 11.332 1.688 0.475 0.768 0.917 0.417 CB 1.130 13 residues pruned to eliminate duplicates Z: 17 19.261 1.840 0.774 0.890 1.000 0.625 CA 1.061 17 residues pruned to eliminate duplicates Z: 6 8.422 1.817 0.053 0.832 1.000 0.600 CA 1.479 6 residues pruned to eliminate duplicates Z: 8 2.771 1.370 0.205 0.398 0.714 0.429 CA 0.990 8 residues pruned to eliminate duplicates Z: 10 17.786 1.738 1.085 0.893 1.000 0.667 CB 1.175 10 residues pruned to eliminate duplicates Z: 12 13.982 1.608 0.516 0.881 1.000 0.909 CA 1.251 12 residues pruned to eliminate duplicates Z: 16 23.670 1.912 1.093 0.907 1.000 0.667 CB 1.086 16 residues pruned to eliminate duplicates Z: 7 7.526 1.782 0.226 0.725 0.833 0.667 CA 1.378 7 residues pruned to eliminate duplicates Z: 15 26.023 2.051 0.660 0.897 1.000 0.714 CA 1.463 15 residues pruned to eliminate duplicates Z: 16 22.093 1.867 0.755 0.846 1.000 0.800 CA 1.293 16 residues pruned to eliminate duplicates Z: 14 17.740 1.798 0.604 0.905 1.000 0.615 CA 1.215 14 residues pruned to eliminate duplicates Z: 30 20.671 1.836 0.683 0.580 1.000 0.552 CB 1.151 30 residues pruned to eliminate duplicates Z: 8 3.836 1.474 0.356 0.400 1.000 0.429 CB 0.806 Z: 18 14.435 1.752 0.669 0.396 1.000 0.588 CB 1.337 18 residues pruned to eliminate duplicates Z: 26 16.723 1.852 0.619 0.558 0.840 0.640 CA 1.255 26 residues pruned to eliminate duplicates Z: 14 14.701 1.761 0.537 0.913 1.000 0.692 CB 1.066 13 residues pruned to eliminate duplicates Z: 13 12.551 1.838 0.765 0.427 0.833 0.667 CA 1.446 13 residues pruned to eliminate duplicates Z: 6 5.316 1.473 0.831 0.532 0.800 0.400 CB 1.067 7 residues pruned to eliminate duplicates Z: 12 13.128 1.796 0.538 0.715 0.909 0.455 CB 1.297 12 residues pruned to eliminate duplicates Z: 12 10.471 1.809 0.239 0.897 1.000 0.909 CB 1.008 12 residues pruned to eliminate duplicates Z: 14 18.125 1.795 0.562 0.912 1.000 0.846 CB 1.270 14 residues pruned to eliminate duplicates Z: 6 3.007 1.434 0.150 0.589 0.800 0.800 CA 0.936 6 residues pruned to eliminate duplicates Z: 6 9.220 1.660 0.944 0.654 1.000 0.800 CB 1.107 Z: 13 17.270 1.931 0.696 0.885 0.917 0.833 CB 1.199 13 residues pruned to eliminate duplicates Z: 16 16.243 1.756 0.937 0.881 0.867 0.400 CB 1.030 16 residues pruned to eliminate duplicates Z: 16 16.555 1.851 0.401 0.835 0.933 0.733 CA 1.323 16 residues pruned to eliminate duplicates Z: 16 12.736 1.768 0.362 0.715 1.000 0.733 CA 1.124 16 residues pruned to eliminate duplicates Z: 7 6.852 1.654 0.302 0.898 1.000 0.833 CB 0.929 7 residues pruned to eliminate duplicates Z: 21 14.892 1.806 0.801 0.549 0.900 0.300 CB 1.085 13 residues pruned to eliminate duplicates Z: 15 16.330 1.665 0.676 0.773 1.000 0.714 CA 1.229 15 residues pruned to eliminate duplicates Z: 13 14.354 1.649 0.780 0.911 1.000 0.917 CB 1.000 13 residues pruned to eliminate duplicates Z: 12 7.351 1.478 0.322 0.908 0.818 0.545 CB 0.985 12 residues pruned to eliminate duplicates Z: 12 18.777 1.747 1.073 0.816 0.909 0.636 CB 1.306 12 residues pruned to eliminate duplicates Z: 7 8.801 1.699 0.828 0.834 0.833 0.667 CB 1.041 7 residues pruned to eliminate duplicates Z: 15 15.514 1.700 0.706 0.850 1.000 0.571 CB 1.059 14 residues pruned to eliminate duplicates Z: 12 12.740 1.545 0.624 0.894 1.000 0.727 CB 1.098 12 residues pruned to eliminate duplicates Z: 13 4.575 1.542 0.429 0.374 0.750 0.583 N 0.914 Z: 16 19.691 1.861 1.209 0.886 1.000 0.800 CB 0.893 16 residues pruned to eliminate duplicates Z: 14 24.666 2.025 0.857 0.874 1.000 0.692 CA 1.324 14 residues pruned to eliminate duplicates Z: 11 15.011 1.885 0.560 0.910 1.000 0.300 CB 1.145 9 residues pruned to eliminate duplicates Z: 14 9.663 1.781 0.593 0.373 0.846 0.615 CB 1.279 15 residues pruned to eliminate duplicates Z: 13 10.816 1.628 0.882 0.884 0.833 0.500 CB 0.883 13 residues pruned to eliminate duplicates Z: 15 17.530 1.673 0.613 0.855 1.000 0.857 CA 1.282 19 residues pruned to eliminate duplicates Z: 13 14.628 1.796 0.471 0.887 0.917 0.833 CB 1.257 13 residues pruned to eliminate duplicates Z: 13 12.879 1.758 0.625 0.836 0.833 0.667 CB 1.169 13 residues pruned to eliminate duplicates Z: 14 18.992 1.644 0.916 0.739 1.000 0.538 CA 1.350 14 residues pruned to eliminate duplicates Z: 14 9.307 1.509 0.519 0.886 0.923 0.462 CB 0.880 14 residues pruned to eliminate duplicates Z: 13 13.488 1.654 0.653 0.826 1.000 0.750 CA 1.074 13 residues pruned to eliminate duplicates Z: 6 2.006 1.178 0.653 0.300 0.800 0.400 CB 0.720 Z: 30 22.540 1.784 0.761 0.495 0.931 0.655 CA 1.438 30 residues pruned to eliminate duplicates Z: 6 9.949 1.852 0.342 0.877 1.000 1.000 CA 1.300 6 residues pruned to eliminate duplicates Z: 15 9.422 1.743 0.425 0.455 0.929 0.429 CA 1.144 Z: 9 10.971 1.909 0.426 0.802 1.000 0.500 CB 1.094 9 residues pruned to eliminate duplicates Z: 13 12.599 1.650 0.744 0.818 0.833 0.417 CB 1.151 13 residues pruned to eliminate duplicates Z: 17 10.540 1.623 0.378 0.369 1.000 0.500 CA 1.357 12 residues pruned to eliminate duplicates Z: 12 13.878 1.909 0.206 0.901 1.000 0.818 CA 1.298 12 residues pruned to eliminate duplicates Z: 8 8.802 1.791 0.583 0.811 0.714 0.714 CA 1.254 8 residues pruned to eliminate duplicates Z: 13 10.453 1.737 0.657 0.811 0.750 0.667 CB 1.066 13 residues pruned to eliminate duplicates Z: 15 11.066 1.563 0.549 0.826 0.786 0.571 CB 1.173 15 residues pruned to eliminate duplicates Z: 7 10.950 1.789 0.641 0.795 0.833 0.833 CA 1.412 7 residues pruned to eliminate duplicates Z: 17 17.792 1.732 0.578 0.913 1.000 0.875 CB 1.152 17 residues pruned to eliminate duplicates Z: 6 4.521 1.537 0.668 0.490 0.800 0.600 CB 0.996 Z: 38 25.447 1.821 0.768 0.519 0.946 0.568 CB 1.348 38 residues pruned to eliminate duplicates Z: 24 8.783 1.568 0.479 0.367 0.826 0.522 CB 1.103 24 residues pruned to eliminate duplicates Z: 6 5.019 1.405 0.730 0.669 0.800 0.600 CB 0.987 6 residues pruned to eliminate duplicates Z: 19 9.385 1.599 0.545 0.360 1.000 0.500 CB 1.041 19 residues pruned to eliminate duplicates Z: 7 4.740 1.488 0.192 0.579 1.000 0.500 CA 1.011 7 residues pruned to eliminate duplicates Z: 11 11.263 1.852 0.152 0.911 1.000 0.900 CA 1.184 11 residues pruned to eliminate duplicates Z: 8 5.943 1.489 0.719 0.411 0.857 0.714 CB 1.125 8 residues pruned to eliminate duplicates Z: 8 6.694 1.729 0.780 0.309 0.857 0.429 CB 1.185 Z: 10 7.731 1.632 0.374 0.517 0.889 0.556 CB 1.272 10 residues pruned to eliminate duplicates Z: 6 7.788 1.502 0.749 0.794 1.000 0.800 CA 1.025 6 1.966 1.623 0.464 0.298 0.600 0.400 N 0.773 ? Z: 12 15.767 1.686 0.841 0.766 1.000 0.636 CA 1.210 12 residues pruned to eliminate duplicates Z: 7 4.667 1.561 0.424 0.511 0.833 0.500 CA 1.017 7 residues pruned to eliminate duplicates Z: 9 2.680 1.658 0.193 0.340 0.625 0.500 CB 0.912 9 residues pruned to eliminate duplicates Z: 12 11.874 1.827 0.333 0.914 1.000 0.636 CB 1.040 12 residues pruned to eliminate duplicates Z: 25 15.967 1.752 0.469 0.614 0.917 0.708 CA 1.241 25 residues pruned to eliminate duplicates Z: 13 12.361 1.632 0.630 0.859 1.000 0.667 CB 0.987 13 residues pruned to eliminate duplicates Z: 8 5.877 1.502 0.510 0.618 0.857 0.714 CA 1.022 Z: 7 5.043 1.729 0.253 0.789 0.833 0.667 CB 0.885 7 residues pruned to eliminate duplicates Z: 43 22.268 1.876 0.700 0.453 0.905 0.619 CB 1.250 43 residues pruned to eliminate duplicates Z: 9 12.019 1.937 0.683 0.909 0.875 0.625 CB 1.057 9 residues pruned to eliminate duplicates Z: 9 9.182 1.774 0.443 0.872 1.000 0.500 CB 0.924 6 residues pruned to eliminate duplicates Z: 12 9.970 1.809 0.565 0.868 1.000 0.636 CB 0.777 12 residues pruned to eliminate duplicates Z: 14 9.096 1.532 0.517 0.903 1.000 0.692 CB 0.774 12 residues pruned to eliminate duplicates Z: 16 28.479 2.023 1.236 0.908 0.933 0.467 CB 1.237 16 residues pruned to eliminate duplicates Z: 11 11.298 1.685 0.286 0.894 1.000 0.700 CB 1.183 11 residues pruned to eliminate duplicates Z: 12 6.077 1.703 0.370 0.375 0.727 0.545 CB 1.235 6 residues pruned to eliminate duplicates Z: 29 18.962 1.856 0.651 0.415 0.964 0.536 CB 1.325 29 residues pruned to eliminate duplicates Z: 10 6.687 1.662 0.481 0.404 1.000 0.667 CB 1.002 10 residues pruned to eliminate duplicates Z: 10 6.971 1.653 0.277 0.851 1.000 0.556 CB 0.815 11 residues pruned to eliminate duplicates Z: 61 26.944 1.852 0.715 0.550 0.867 0.550 CB 1.204 73 residues pruned to eliminate duplicates 6 1.741 1.302 0.584 0.298 0.600 0.400 O 0.789 ? Z: 10 5.681 1.596 0.367 0.479 1.000 0.444 CB 0.887 8 residues pruned to eliminate duplicates Z: 14 10.971 1.675 0.383 0.828 0.923 0.462 CA 1.072 14 residues pruned to eliminate duplicates Z: 34 21.481 1.915 0.718 0.592 0.848 0.394 CB 1.226 20 residues pruned to eliminate duplicates Z: 9 7.671 1.818 0.416 0.532 0.875 0.625 CB 1.166 9 residues pruned to eliminate duplicates Z: 9 7.544 1.919 0.412 0.383 0.875 0.500 CB 1.273 9 residues pruned to eliminate duplicates Z: 15 15.091 1.751 0.458 0.816 1.000 0.714 CB 1.200 15 residues pruned to eliminate duplicates Z: 10 7.931 1.499 0.510 0.732 1.000 0.667 CB 0.948 10 residues pruned to eliminate duplicates Z: 7 7.194 1.675 0.171 0.870 1.000 0.667 CB 1.093 7 residues pruned to eliminate duplicates Z: 12 17.603 1.892 0.652 0.912 1.000 0.545 CB 1.202 12 residues pruned to eliminate duplicates Z: 11 9.558 1.610 0.410 0.919 1.000 1.000 CB 0.939 11 residues pruned to eliminate duplicates Z: 6 2.857 1.538 0.764 0.551 0.800 0.600 N 0.560 Z: 7 8.918 1.728 0.434 0.854 1.000 0.833 CA 1.086 7 residues pruned to eliminate duplicates Z: 13 8.977 1.823 0.365 0.351 1.000 0.750 CB 1.224 13 residues pruned to eliminate duplicates Z: 15 12.520 1.719 0.355 0.899 1.000 0.714 CB 1.026 14 residues pruned to eliminate duplicates Z: 12 15.657 1.891 0.413 0.908 1.000 1.000 CA 1.255 12 residues pruned to eliminate duplicates Z: 48 20.804 1.823 0.701 0.444 0.809 0.511 CB 1.283 48 residues pruned to eliminate duplicates Z: 42 24.838 1.855 0.668 0.603 0.927 0.634 CB 1.226 31 residues pruned to eliminate duplicates Z: 8 8.522 1.664 0.779 0.803 0.857 0.571 CA 0.974 8 residues pruned to eliminate duplicates Z: 39 18.392 1.713 0.616 0.452 0.947 0.605 CB 1.195 43 residues pruned to eliminate duplicates Z: 6 4.020 1.570 -0.174 0.831 1.000 0.800 CB 1.042 6 residues pruned to eliminate duplicates Z: 12 22.313 1.963 0.732 0.924 1.000 0.727 CA 1.390 12 residues pruned to eliminate duplicates Z: 11 11.953 1.677 0.344 0.906 1.000 0.900 CB 1.192 11 residues pruned to eliminate duplicates Z: 15 20.553 1.822 0.732 0.904 0.929 0.857 CA 1.336 15 residues pruned to eliminate duplicates Z: 32 20.762 1.771 0.858 0.464 0.903 0.419 CB 1.302 32 residues pruned to eliminate duplicates Z: 8 7.054 1.700 0.600 0.537 0.857 0.857 CB 1.103 8 residues pruned to eliminate duplicates Z: 13 13.929 1.759 0.734 0.789 0.833 0.500 CA 1.227 13 residues pruned to eliminate duplicates Z: 7 8.864 1.684 0.839 0.500 0.833 0.667 CB 1.402 7 residues pruned to eliminate duplicates Z: 11 13.080 1.688 0.641 0.904 1.000 0.700 CB 1.063 11 residues pruned to eliminate duplicates Z: 7 2.826 1.431 0.177 0.699 0.833 0.500 CB 0.686 7 residues pruned to eliminate duplicates Z: 6 12.170 1.581 1.120 0.804 1.000 0.600 N 1.245 Z: 8 2.404 1.396 0.393 0.294 0.571 0.571 CB 1.030 Z: 31 17.300 1.836 0.604 0.475 0.767 0.600 CB 1.434 31 residues pruned to eliminate duplicates Z: 7 2.488 1.401 0.468 0.245 0.667 0.333 CA 0.995 7 residues pruned to eliminate duplicates Z: 10 10.907 1.715 0.440 0.891 1.000 0.889 CB 1.058 10 residues pruned to eliminate duplicates Z: 17 10.408 1.698 0.732 0.445 0.938 0.562 CB 0.999 17 residues pruned to eliminate duplicates Z: 44 25.265 1.837 0.978 0.521 0.907 0.558 CB 1.145 37 residues pruned to eliminate duplicates Z: 13 14.560 1.833 0.431 0.910 1.000 1.000 CA 1.136 13 residues pruned to eliminate duplicates Z: 7 5.951 1.644 0.320 0.538 1.000 0.833 CA 1.079 Z: 13 11.548 1.619 0.536 0.922 1.000 0.833 CB 0.942 13 residues pruned to eliminate duplicates Z: 11 4.538 1.684 0.335 0.262 0.700 0.400 CB 1.196 11 residues pruned to eliminate duplicates Z: 13 11.202 1.813 0.460 0.918 1.000 1.000 CB 0.861 13 residues pruned to eliminate duplicates Z: 15 18.103 1.658 0.934 0.827 1.000 0.786 CA 1.137 15 residues pruned to eliminate duplicates Z: 27 18.511 1.842 0.793 0.574 0.846 0.692 CB 1.210 27 residues pruned to eliminate duplicates Z: 12 6.017 1.560 0.579 0.365 0.818 0.545 CB 1.040 12 residues pruned to eliminate duplicates Z: 19 10.956 1.613 0.395 0.577 0.889 0.444 CA 1.199 12 residues pruned to eliminate duplicates Z: 13 19.198 1.767 0.837 0.876 1.000 0.417 CA 1.240 13 residues pruned to eliminate duplicates Z: 6 2.897 1.535 0.026 0.577 0.800 0.600 CA 0.955 6 residues pruned to eliminate duplicates Z: 9 13.899 1.904 0.884 0.867 1.000 0.750 CB 1.002 9 residues pruned to eliminate duplicates Z: 11 3.963 1.497 0.770 0.279 0.600 0.400 CB 1.012 Z: 23 6.564 1.506 0.204 0.265 0.909 0.409 CB 1.111 23 residues pruned to eliminate duplicates Z: 10 18.300 1.868 0.872 0.865 1.000 0.333 CB 1.277 10 residues pruned to eliminate duplicates Z: 32 17.776 1.835 0.561 0.475 0.839 0.548 CB 1.363 32 residues pruned to eliminate duplicates Z: 16 24.224 1.832 0.807 0.894 1.000 0.733 CB 1.355 16 residues pruned to eliminate duplicates Z: 6 2.707 1.677 0.775 0.262 0.400 0.200 CA 1.334 6 residues pruned to eliminate duplicates Z: 25 21.138 1.885 0.648 0.596 0.958 0.625 CA 1.323 25 residues pruned to eliminate duplicates Z: 9 6.721 1.548 0.327 0.622 1.000 0.625 CA 1.032 Z: 13 15.992 1.684 0.784 0.904 0.917 0.417 CB 1.194 13 residues pruned to eliminate duplicates Z: 15 17.431 1.786 0.608 0.771 0.929 0.357 CA 1.374 15 residues pruned to eliminate duplicates Z: 13 12.966 1.827 0.421 0.830 0.833 0.667 CB 1.300 13 residues pruned to eliminate duplicates Z: 11 5.294 1.598 0.208 0.560 0.700 0.200 N 1.169 11 residues pruned to eliminate duplicates Z: 13 14.711 1.614 0.870 0.864 1.000 0.750 CB 1.032 13 residues pruned to eliminate duplicates Z: 11 8.971 1.711 0.533 0.880 1.000 0.800 CB 0.784 11 residues pruned to eliminate duplicates Z: 10 5.180 1.473 0.422 0.385 0.889 0.556 CB 1.048 Z: 10 22.963 2.034 1.058 0.923 1.000 0.889 CB 1.285 10 residues pruned to eliminate duplicates Z: 6 6.524 1.450 0.924 0.816 1.000 0.400 CA 0.794 6 residues pruned to eliminate duplicates Z: 16 14.340 1.736 0.824 0.478 0.867 0.667 CA 1.379 16 residues pruned to eliminate duplicates Z: 8 2.830 1.284 0.604 0.247 0.714 0.429 CB 0.974 Z: 11 9.219 1.601 1.255 0.817 0.900 0.700 CB 0.681 11 residues pruned to eliminate duplicates Z: 10 18.139 1.911 0.852 0.886 1.000 0.667 CA 1.233 9 residues pruned to eliminate duplicates Z: 9 6.644 1.623 0.521 0.473 0.750 0.625 CA 1.304 9 residues pruned to eliminate duplicates Z: 26 14.807 1.748 0.469 0.595 0.920 0.440 CB 1.145 26 residues pruned to eliminate duplicates Z: 10 3.497 1.478 0.220 0.358 0.667 0.222 CB 1.130 10 residues pruned to eliminate duplicates Z: 20 12.765 1.770 0.708 0.486 0.895 0.579 CB 1.098 20 residues pruned to eliminate duplicates Z: 17 12.468 1.754 0.590 0.428 0.938 0.500 CA 1.285 17 residues pruned to eliminate duplicates Z: 10 3.681 1.721 0.153 0.220 0.889 0.667 CB 0.966 9 residues pruned to eliminate duplicates 7 1.791 1.204 0.174 0.361 0.667 0.500 N 0.901 ? Z: 30 21.922 1.783 0.844 0.498 0.931 0.690 CB 1.333 30 residues pruned to eliminate duplicates Z: 13 22.714 1.867 0.759 0.899 1.000 0.833 CA 1.427 13 residues pruned to eliminate duplicates Z: 9 4.749 1.668 0.628 0.372 0.875 0.250 CB 0.810 9 residues pruned to eliminate duplicates Z: 16 7.366 1.713 0.601 0.229 0.933 0.600 CB 1.019 16 residues pruned to eliminate duplicates Z: 16 25.894 1.921 1.150 0.904 1.000 0.733 CA 1.153 16 residues pruned to eliminate duplicates Z: 19 13.105 1.852 0.632 0.460 0.833 0.611 CA 1.278 21 residues pruned to eliminate duplicates Z: 13 6.414 1.565 0.368 0.380 0.833 0.500 CB 1.179 13 residues pruned to eliminate duplicates Z: 19 13.771 1.756 0.779 0.412 0.889 0.500 CA 1.281 15 residues pruned to eliminate duplicates Z: 6 2.845 1.246 0.461 0.386 1.000 0.600 C 0.789 Z: 9 11.466 1.668 0.913 0.855 0.875 0.625 CB 1.071 9 residues pruned to eliminate duplicates Z: 32 17.572 1.777 0.454 0.550 0.903 0.581 CB 1.288 31 residues pruned to eliminate duplicates Z: 7 6.971 1.787 0.130 0.804 1.000 0.667 CB 1.081 7 residues pruned to eliminate duplicates Z: 10 12.128 1.761 0.852 0.877 0.889 0.556 CB 1.013 10 residues pruned to eliminate duplicates Z: 15 13.062 1.751 0.578 0.813 0.929 0.357 CB 1.036 17 residues pruned to eliminate duplicates Z: 13 12.709 1.540 0.549 0.867 1.000 0.500 CB 1.124 12 residues pruned to eliminate duplicates Z: 7 6.670 1.750 0.744 0.831 0.833 0.667 CB 0.804 Z: 10 6.527 1.793 0.439 0.898 1.000 0.667 CB 0.603 10 residues pruned to eliminate duplicates Z: 14 12.528 1.687 0.754 0.833 0.923 0.615 CB 0.954 14 residues pruned to eliminate duplicates Z: 24 10.876 1.725 0.782 0.439 0.739 0.478 CB 1.063 24 residues pruned to eliminate duplicates Z: 41 21.311 1.749 0.547 0.540 0.925 0.725 CA 1.295 57 residues pruned to eliminate duplicates Z: 8 14.458 1.907 0.682 0.841 1.000 0.429 C 1.270 8 residues pruned to eliminate duplicates Z: 26 16.957 1.728 0.809 0.649 0.880 0.680 CB 1.074 26 residues pruned to eliminate duplicates Z: 9 10.365 1.935 0.956 0.865 0.500 0.250 CA 1.419 9 residues pruned to eliminate duplicates 6 1.328 1.365 0.058 0.294 1.000 0.800 CB 0.518 ? Z: 7 8.267 1.745 0.381 0.794 1.000 0.667 CB 1.083 Z: 13 13.575 1.696 0.729 0.649 0.917 0.750 CB 1.269 7 residues pruned to eliminate duplicates Z: 10 15.743 1.846 0.969 0.895 1.000 0.889 CB 1.035 10 residues pruned to eliminate duplicates Z: 11 16.951 1.662 1.021 0.868 1.000 1.000 CA 1.166 11 residues pruned to eliminate duplicates Z: 13 10.541 1.594 1.245 0.895 0.917 0.667 CB 0.665 13 residues pruned to eliminate duplicates Z: 6 2.283 1.179 0.631 0.297 0.800 0.400 CA 0.833 Z: 14 17.167 1.803 0.680 0.793 0.923 0.692 CB 1.317 14 residues pruned to eliminate duplicates Z: 32 17.700 1.810 0.641 0.532 0.871 0.581 CB 1.191 32 residues pruned to eliminate duplicates Z: 11 13.079 1.715 0.486 0.913 1.000 0.800 CB 1.149 11 residues pruned to eliminate duplicates Z: 9 7.686 1.628 0.116 0.875 1.000 0.875 CA 1.088 9 residues pruned to eliminate duplicates Z: 9 7.690 1.737 0.424 0.549 1.000 0.625 CA 1.047 9 residues pruned to eliminate duplicates Z: 15 6.101 1.579 0.440 0.572 0.857 0.714 CB 0.780 9 residues pruned to eliminate duplicates Z: 14 11.514 1.741 0.845 0.476 0.923 0.385 CA 1.103 16 residues pruned to eliminate duplicates Z: 13 17.668 1.688 0.753 0.841 0.917 0.500 CA 1.402 13 residues pruned to eliminate duplicates Z: 20 11.048 1.715 0.478 0.669 0.842 0.474 CB 1.016 20 residues pruned to eliminate duplicates Z: 10 4.013 1.404 0.710 0.399 0.778 0.556 CB 0.797 10 residues pruned to eliminate duplicates Z: 6 2.198 1.483 0.087 0.316 0.800 0.600 N 0.934 Z: 7 6.375 1.687 0.479 0.781 0.667 0.667 CB 1.221 7 residues pruned to eliminate duplicates Z: 15 10.305 1.632 0.818 0.346 0.929 0.786 CB 1.182 15 residues pruned to eliminate duplicates 6 1.735 1.437 0.240 0.497 0.600 0.400 CB 0.728 ? Z: 12 10.920 1.813 0.926 0.287 0.909 0.818 CB 1.318 12 residues pruned to eliminate duplicates Z: 16 15.434 1.769 0.885 0.826 0.933 0.600 CB 0.966 16 residues pruned to eliminate duplicates Z: 9 6.641 1.476 0.495 0.568 0.875 0.500 CB 1.138 Z: 13 10.428 1.580 0.906 0.641 0.833 0.417 CA 1.051 Z: 13 9.162 1.683 0.692 0.896 0.667 0.250 CB 0.998 13 residues pruned to eliminate duplicates Z: 27 16.051 1.688 0.677 0.550 0.962 0.615 CB 1.102 14 residues pruned to eliminate duplicates Z: 8 8.362 1.608 0.753 0.496 0.857 0.571 CB 1.314 8 residues pruned to eliminate duplicates Z: 6 3.817 1.616 0.264 0.602 0.800 0.600 CB 0.948 6 residues pruned to eliminate duplicates Z: 8 4.452 1.371 0.622 0.468 0.714 0.571 CB 1.095 8 residues pruned to eliminate duplicates Z: 13 16.587 1.770 0.656 0.827 0.917 0.667 CB 1.344 13 residues pruned to eliminate duplicates Z: 13 19.548 1.762 1.034 0.761 1.000 0.500 CA 1.249 13 residues pruned to eliminate duplicates Z: 13 22.832 1.737 1.098 0.840 1.000 0.583 CA 1.350 13 residues pruned to eliminate duplicates Z: 14 15.416 1.788 1.130 0.881 0.846 0.462 CB 0.961 13 residues pruned to eliminate duplicates Z: 6 4.569 1.689 0.289 0.675 0.800 0.400 CB 0.999 6 residues pruned to eliminate duplicates Z: 13 18.109 1.795 0.601 0.861 1.000 0.917 CA 1.337 13 residues pruned to eliminate duplicates Z: 8 2.367 1.390 0.116 0.347 0.714 0.571 CB 0.954 Z: 15 10.408 1.808 0.360 0.447 0.857 0.643 CA 1.394 15 residues pruned to eliminate duplicates Z: 11 12.133 1.835 0.866 0.846 0.700 0.600 CB 1.189 11 residues pruned to eliminate duplicates Z: 21 12.461 1.617 0.596 0.579 0.900 0.700 CA 1.111 14 residues pruned to eliminate duplicates Z: 7 4.054 1.537 0.533 0.735 0.667 0.333 CB 0.853 7 residues pruned to eliminate duplicates Z: 10 6.717 1.726 0.269 0.867 1.000 0.667 CB 0.748 10 residues pruned to eliminate duplicates Z: 9 4.577 1.547 0.431 0.410 0.875 0.500 CB 0.918 9 residues pruned to eliminate duplicates Z: 9 9.046 1.823 0.225 0.888 1.000 0.625 CB 1.032 9 residues pruned to eliminate duplicates Z: 12 6.592 1.512 0.441 0.375 0.909 0.545 CA 1.147 Z: 7 2.339 1.274 0.428 0.315 0.667 0.333 CA 0.965 Z: 13 5.650 1.496 0.543 0.375 0.833 0.667 CB 0.970 10 residues pruned to eliminate duplicates Z: 17 20.405 1.913 0.912 0.855 0.938 0.875 CB 1.098 17 residues pruned to eliminate duplicates Z: 23 12.717 1.804 0.651 0.286 0.955 0.500 CB 1.213 23 residues pruned to eliminate duplicates Z: 7 6.740 1.680 0.221 0.736 1.000 0.833 CB 1.085 7 residues pruned to eliminate duplicates Z: 22 12.873 1.720 0.677 0.346 0.857 0.524 CA 1.343 22 residues pruned to eliminate duplicates Z: 13 16.900 1.766 0.644 0.803 1.000 0.667 CA 1.290 13 residues pruned to eliminate duplicates Z: 17 23.162 1.759 0.877 0.868 0.938 0.375 CA 1.368 17 residues pruned to eliminate duplicates Z: 7 6.873 1.646 0.996 0.553 1.000 0.667 CA 0.811 7 residues pruned to eliminate duplicates Z: 20 12.067 1.747 0.461 0.441 0.895 0.737 CB 1.289 20 residues pruned to eliminate duplicates Z: 10 10.037 1.734 0.452 0.671 1.000 0.778 CB 1.135 10 residues pruned to eliminate duplicates Z: 14 7.213 1.753 0.493 0.334 0.846 0.692 CB 1.083 14 residues pruned to eliminate duplicates Z: 19 11.219 1.667 0.734 0.606 0.833 0.389 CB 0.992 19 residues pruned to eliminate duplicates Z: 13 8.278 1.808 0.776 0.343 0.833 0.417 CB 1.060 13 residues pruned to eliminate duplicates Z: 9 7.233 1.855 0.415 0.485 1.000 0.250 CB 0.989 9 residues pruned to eliminate duplicates Z: 22 17.616 1.846 0.485 0.691 0.952 0.857 CB 1.237 22 residues pruned to eliminate duplicates Z: 16 7.837 1.752 0.501 0.259 0.933 0.600 CB 1.086 16 residues pruned to eliminate duplicates 6 1.818 1.191 0.124 0.289 1.000 0.800 CB 0.769 ? Z: 12 12.302 1.795 0.752 0.426 0.818 0.545 CA 1.556 12 residues pruned to eliminate duplicates Z: 22 13.153 1.805 0.571 0.571 0.857 0.619 CB 1.102 27 residues pruned to eliminate duplicates Z: 10 7.592 1.518 0.343 0.802 0.889 0.556 CB 1.073 10 residues pruned to eliminate duplicates Z: 9 4.342 1.534 0.592 0.479 0.750 0.500 N 0.857 Z: 7 8.959 1.798 0.635 0.836 1.000 0.833 CB 0.932 7 residues pruned to eliminate duplicates Z: 14 7.038 1.684 0.429 0.364 0.769 0.462 CA 1.221 6 residues pruned to eliminate duplicates Z: 8 6.912 1.837 0.365 0.625 0.857 0.571 CB 1.081 8 residues pruned to eliminate duplicates Z: 11 5.909 1.774 0.254 0.552 0.900 0.500 CB 0.887 11 residues pruned to eliminate duplicates Z: 7 9.243 1.796 0.477 0.773 1.000 0.833 CB 1.118 6 residues pruned to eliminate duplicates Z: 11 5.212 1.346 0.672 0.378 0.800 0.600 CA 1.043 11 residues pruned to eliminate duplicates Z: 64 24.788 1.763 0.837 0.541 0.794 0.429 CB 1.167 60 residues pruned to eliminate duplicates Z: 14 10.346 1.672 0.555 0.785 1.000 0.385 CB 0.859 14 residues pruned to eliminate duplicates Z: 6 3.391 1.720 -0.002 0.544 0.800 0.600 CB 1.058 6 residues pruned to eliminate duplicates Z: 6 5.790 1.658 0.857 0.653 0.800 0.800 CA 0.912 6 residues pruned to eliminate duplicates Z: 7 3.469 1.524 0.437 0.247 0.833 0.667 CA 1.040 Z: 7 4.031 1.573 0.547 0.300 0.833 0.333 CB 1.014 Z: 15 9.851 1.719 0.624 0.399 0.857 0.714 CB 1.224 15 residues pruned to eliminate duplicates Z: 8 10.947 1.815 1.163 0.533 1.000 0.571 CB 1.021 8 residues pruned to eliminate duplicates Z: 16 11.141 1.802 0.263 0.717 0.933 0.800 CB 1.113 16 residues pruned to eliminate duplicates Z: 10 8.535 1.650 0.740 0.386 0.889 0.333 N 1.259 8 residues pruned to eliminate duplicates Z: 7 2.899 1.406 0.123 0.251 1.000 0.500 CB 0.998 Z: 15 7.355 1.741 0.506 0.213 0.929 0.500 CB 1.132 18 residues pruned to eliminate duplicates Z: 16 20.774 1.942 0.858 0.880 1.000 0.400 CB 1.077 16 residues pruned to eliminate duplicates Z: 60 28.396 1.844 0.838 0.447 0.932 0.542 CB 1.236 60 residues pruned to eliminate duplicates Z: 8 6.241 1.470 1.222 0.568 0.714 0.714 CA 0.947 Z: 9 4.573 1.635 0.537 0.349 0.625 0.250 CA 1.212 9 residues pruned to eliminate duplicates Z: 15 21.212 1.811 0.995 0.839 1.000 0.500 CB 1.171 15 residues pruned to eliminate duplicates Z: 14 18.185 1.810 0.655 0.865 0.923 0.846 CB 1.336 14 residues pruned to eliminate duplicates Z: 9 5.607 1.685 0.211 0.408 1.000 0.625 CB 1.069 9 residues pruned to eliminate duplicates Z: 35 19.250 1.775 0.617 0.451 0.912 0.588 CA 1.328 35 residues pruned to eliminate duplicates Z: 19 9.011 1.624 0.656 0.425 0.833 0.722 CB 1.024 20 residues pruned to eliminate duplicates 6 1.845 1.308 0.505 0.300 0.800 0.600 CB 0.655 ? Z: 8 9.715 1.760 0.341 0.797 1.000 0.857 CB 1.199 8 residues pruned to eliminate duplicates Z: 67 25.999 1.814 0.623 0.607 0.879 0.621 CB 1.118 67 residues pruned to eliminate duplicates Z: 13 18.523 1.840 0.870 0.879 1.000 0.583 CA 1.127 13 residues pruned to eliminate duplicates Z: 10 11.108 1.623 0.560 0.905 1.000 0.667 CB 1.041 11 residues pruned to eliminate duplicates Z: 11 9.590 1.573 0.536 0.420 1.000 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 7 7.843 1.552 0.735 0.833 1.000 0.667 N 0.893 7 residues pruned to eliminate duplicates Z: 11 12.755 1.765 1.150 0.920 0.900 0.600 CB 0.832 11 residues pruned to eliminate duplicates 6 1.699 1.400 0.238 0.298 0.600 0.600 CB 0.916 ? Z: 6 4.365 1.301 0.252 0.575 1.000 0.600 CB 1.115 Z: 24 15.404 1.773 0.813 0.483 0.783 0.522 CA 1.299 30 residues pruned to eliminate duplicates Z: 22 11.369 1.738 0.522 0.387 0.810 0.762 CA 1.307 22 residues pruned to eliminate duplicates Z: 7 8.207 1.728 0.600 0.840 0.833 0.833 CA 1.086 7 residues pruned to eliminate duplicates 6 1.249 1.370 0.204 0.100 0.600 0.400 CA 0.941 ? Z: 9 8.806 1.718 0.418 0.797 0.875 0.500 CA 1.126 9 residues pruned to eliminate duplicates Z: 14 14.263 1.570 1.022 0.907 0.923 0.692 CB 0.960 14 residues pruned to eliminate duplicates Z: 9 10.458 1.736 0.356 0.832 1.000 0.625 CB 1.179 9 residues pruned to eliminate duplicates Z: 56 23.974 1.822 0.717 0.448 0.945 0.545 CB 1.154 56 residues pruned to eliminate duplicates 7 1.737 1.466 0.228 0.445 0.667 0.333 CB 0.625 ? Z: 17 12.742 1.861 0.428 0.690 0.938 0.750 CB 1.074 30 residues pruned to eliminate duplicates Z: 15 8.498 1.678 0.554 0.389 0.786 0.429 CB 1.247 12 residues pruned to eliminate duplicates Z: 10 19.714 1.957 1.385 0.916 1.000 0.778 CB 0.994 10 residues pruned to eliminate duplicates Z: 8 9.485 1.749 0.997 0.831 1.000 0.714 CB 0.771 8 residues pruned to eliminate duplicates Z: 6 3.534 1.361 0.513 0.779 1.000 0.600 N 0.600 6 residues pruned to eliminate duplicates Z: 16 6.437 1.744 0.247 0.365 0.800 0.533 CB 1.105 16 residues pruned to eliminate duplicates Z: 31 13.887 1.739 0.234 0.527 0.933 0.667 CB 1.233 31 residues pruned to eliminate duplicates Z: 6 4.443 1.641 0.451 0.467 0.800 0.600 CB 1.079 6 residues pruned to eliminate duplicates Z: 7 3.354 1.353 0.632 0.430 0.667 0.500 CB 1.000 Z: 13 14.929 1.864 0.363 0.888 1.000 0.833 CA 1.222 13 residues pruned to eliminate duplicates Z: 12 12.664 1.666 0.674 0.899 1.000 0.818 CB 0.979 12 residues pruned to eliminate duplicates Z: 12 17.915 1.884 0.781 0.928 0.909 0.636 CA 1.240 12 residues pruned to eliminate duplicates Z: 9 10.550 1.769 0.260 0.914 1.000 0.625 CB 1.183 9 residues pruned to eliminate duplicates Z: 38 18.530 1.760 0.689 0.444 0.865 0.595 CB 1.256 38 residues pruned to eliminate duplicates 6 1.983 1.338 0.408 0.486 0.800 0.400 CB 0.597 ? Z: 6 7.890 1.520 0.782 0.838 1.000 0.400 N 0.973 6 residues pruned to eliminate duplicates Z: 35 20.876 1.791 0.566 0.495 0.941 0.647 CA 1.363 35 residues pruned to eliminate duplicates Z: 6 7.839 1.626 0.758 0.779 1.000 1.000 CB 0.958 6 residues pruned to eliminate duplicates Z: 20 20.979 1.871 0.802 0.655 0.842 0.316 CA 1.468 20 residues pruned to eliminate duplicates Z: 12 10.259 1.712 0.451 0.645 0.909 0.727 CA 1.197 12 residues pruned to eliminate duplicates Z: 10 4.519 1.399 0.433 0.377 0.889 0.333 CB 0.964 Z: 7 3.570 1.318 0.406 0.396 1.000 0.500 CB 0.878 7 residues pruned to eliminate duplicates Z: 7 3.001 1.694 0.112 0.623 0.667 0.500 CB 0.869 7 residues pruned to eliminate duplicates Z: 8 7.976 1.544 0.554 0.746 1.000 0.857 CB 1.009 8 residues pruned to eliminate duplicates Z: 6 5.884 1.767 -0.080 0.754 1.000 1.000 CB 1.292 6 residues pruned to eliminate duplicates 6 1.964 1.180 0.010 0.400 1.000 0.600 CB 0.818 ? Z: 15 6.825 1.601 0.277 0.457 0.929 0.643 CA 1.004 15 residues pruned to eliminate duplicates Z: 17 12.718 1.600 0.818 0.502 0.938 0.625 CA 1.164 17 residues pruned to eliminate duplicates Z: 6 3.253 1.646 0.407 0.604 0.800 0.800 CA 0.711 Z: 23 11.848 1.755 0.433 0.414 0.909 0.500 CA 1.209 21 residues pruned to eliminate duplicates Z: 12 20.384 1.845 1.024 0.761 1.000 0.727 CA 1.305 12 residues pruned to eliminate duplicates Z: 14 14.711 1.701 0.560 0.736 0.923 0.615 CA 1.348 14 residues pruned to eliminate duplicates Z: 10 7.945 1.597 0.881 0.531 0.889 0.667 CB 0.963 Z: 20 20.909 1.976 0.788 0.696 0.947 0.632 CB 1.198 20 residues pruned to eliminate duplicates Z: 12 9.177 1.526 0.533 0.904 1.000 0.909 CB 0.842 12 residues pruned to eliminate duplicates Z: 7 2.104 1.506 0.471 0.196 0.667 0.333 CB 0.836 Z: 15 15.756 1.896 0.680 0.811 0.929 0.714 CA 1.086 15 residues pruned to eliminate duplicates Z: 8 8.472 1.635 0.388 0.708 1.000 0.714 CB 1.168 7 residues pruned to eliminate duplicates Z: 11 5.448 1.420 0.408 0.418 0.900 0.700 CB 1.043 Z: 6 5.342 1.480 0.774 0.589 0.800 0.800 O 1.044 Z: 13 11.439 1.692 0.380 0.912 0.833 0.583 CB 1.202 13 residues pruned to eliminate duplicates Z: 12 8.759 1.680 0.544 0.812 1.000 0.545 CB 0.776 12 residues pruned to eliminate duplicates Z: 12 10.602 1.709 0.855 0.915 1.000 0.545 CB 0.713 12 residues pruned to eliminate duplicates Z: 8 2.312 1.515 -0.059 0.213 0.714 0.571 CB 1.203 Z: 22 11.207 1.696 0.607 0.425 0.810 0.429 CA 1.198 22 residues pruned to eliminate duplicates Z: 32 14.859 1.723 0.580 0.427 0.903 0.581 CB 1.171 32 residues pruned to eliminate duplicates Z: 14 10.740 1.719 0.648 0.405 1.000 0.846 CA 1.163 14 residues pruned to eliminate duplicates Z: 6 3.844 1.488 0.124 0.345 1.000 0.600 C 1.216 6 residues pruned to eliminate duplicates Z: 13 13.394 1.736 0.401 0.910 1.000 0.833 CB 1.127 13 residues pruned to eliminate duplicates Z: 9 6.008 1.667 0.492 0.319 0.875 0.500 CA 1.192 9 residues pruned to eliminate duplicates Z: 7 7.687 1.798 0.663 0.601 0.833 0.500 CA 1.144 7 residues pruned to eliminate duplicates Z: 6 6.035 1.878 -0.090 0.808 0.800 0.600 CA 1.510 6 residues pruned to eliminate duplicates Z: 9 3.480 1.537 0.311 0.411 0.875 0.375 CB 0.766 6 residues pruned to eliminate duplicates Z: 6 2.998 1.177 0.130 0.767 1.000 0.800 CA 0.796 Z: 6 8.221 1.653 0.750 0.613 1.000 1.000 CA 1.142 6 residues pruned to eliminate duplicates Z: 7 3.380 1.312 0.995 0.350 0.667 0.333 N 0.931 Z: 10 10.993 1.726 0.754 0.467 1.000 0.778 CA 1.252 10 residues pruned to eliminate duplicates Z: 14 4.976 1.465 0.412 0.216 1.000 0.615 CB 0.931 Z: 13 13.456 1.704 0.412 0.926 0.917 0.750 CB 1.235 13 residues pruned to eliminate duplicates Z: 30 19.388 1.775 0.717 0.601 0.897 0.552 CB 1.197 30 residues pruned to eliminate duplicates Z: 27 12.015 1.665 0.598 0.466 0.846 0.423 CB 1.084 28 residues pruned to eliminate duplicates Z: 16 9.678 1.672 0.382 0.649 0.867 0.533 CB 1.087 16 residues pruned to eliminate duplicates Z: 13 11.334 1.651 0.470 0.809 0.917 0.667 CB 1.123 13 residues pruned to eliminate duplicates Z: 7 2.405 1.584 -0.082 0.327 0.833 0.667 N 0.979 Z: 6 5.372 1.609 0.700 0.297 0.800 0.400 CA 1.378 6 residues pruned to eliminate duplicates Z: 13 19.019 1.867 0.754 0.893 1.000 0.833 CB 1.204 13 residues pruned to eliminate duplicates Z: 30 22.732 1.826 0.608 0.643 0.931 0.655 CB 1.351 30 residues pruned to eliminate duplicates Z: 11 7.286 1.802 0.474 0.381 0.800 0.500 CB 1.230 11 residues pruned to eliminate duplicates Z: 41 23.829 1.796 0.656 0.548 0.925 0.725 CB 1.306 41 residues pruned to eliminate duplicates Z: 36 21.436 1.773 0.780 0.524 0.886 0.600 CB 1.266 36 residues pruned to eliminate duplicates Z: 13 17.143 1.875 0.772 0.898 0.917 0.667 CA 1.162 13 residues pruned to eliminate duplicates Z: 12 7.594 1.487 -0.021 0.917 1.000 0.909 CA 1.109 12 residues pruned to eliminate duplicates Z: 64 25.944 1.705 0.723 0.461 0.889 0.603 CB 1.302 64 residues pruned to eliminate duplicates Z: 6 3.606 1.323 0.356 0.322 1.000 0.600 O 1.092 Z: 14 16.194 1.667 0.821 0.768 0.923 0.615 CB 1.264 14 residues pruned to eliminate duplicates Z: 25 16.483 1.866 0.679 0.547 0.875 0.542 CB 1.172 25 residues pruned to eliminate duplicates Z: 10 4.096 1.570 0.202 0.577 0.667 0.556 CA 1.008 10 residues pruned to eliminate duplicates Z: 8 4.346 1.273 0.543 0.521 1.000 0.714 CA 0.819 8 residues pruned to eliminate duplicates Z: 7 7.185 1.644 0.730 0.502 0.833 0.500 CB 1.235 7 residues pruned to eliminate duplicates Z: 13 5.017 1.563 0.140 0.480 0.833 0.500 CB 0.995 13 residues pruned to eliminate duplicates Z: 8 2.719 1.173 0.155 0.771 0.857 0.714 CB 0.696 8 residues pruned to eliminate duplicates Z: 20 12.841 1.852 0.690 0.414 0.842 0.474 CA 1.222 20 residues pruned to eliminate duplicates Z: 13 11.373 1.614 0.726 0.894 0.917 0.667 CB 0.922 13 residues pruned to eliminate duplicates Z: 6 3.083 1.294 0.349 0.532 0.800 0.600 N 0.957 Z: 7 5.219 1.357 0.274 0.715 1.000 0.667 CA 1.015 7 residues pruned to eliminate duplicates Z: 6 5.510 1.658 0.442 0.285 1.000 0.600 CA 1.313 8 residues pruned to eliminate duplicates Z: 15 12.651 1.599 0.497 0.738 0.929 0.357 CA 1.229 15 residues pruned to eliminate duplicates Z: 35 22.510 1.837 0.679 0.571 0.941 0.529 CB 1.241 35 residues pruned to eliminate duplicates Z: 15 12.788 1.744 0.793 0.416 0.857 0.643 N 1.392 15 residues pruned to eliminate duplicates Z: 8 3.638 1.396 0.426 0.409 0.714 0.286 N 1.064 Z: 7 2.295 1.308 0.205 0.319 0.833 0.333 N 0.871 Z: 8 3.258 1.567 0.273 0.285 0.714 0.286 CB 1.101 8 residues pruned to eliminate duplicates Z: 6 3.185 1.343 0.233 0.499 0.800 0.400 C 1.077 Z: 12 4.287 1.452 0.118 0.454 0.909 0.545 CB 0.918 10 residues pruned to eliminate duplicates Z: 7 3.515 1.414 0.144 0.481 0.833 0.667 CB 1.086 Z: 24 14.748 1.656 0.824 0.401 0.913 0.652 CB 1.237 24 residues pruned to eliminate duplicates Z: 14 12.324 1.661 0.636 0.872 1.000 0.615 CB 0.917 14 residues pruned to eliminate duplicates Z: 6 2.342 1.159 0.268 0.432 0.800 0.800 N 0.956 Z: 15 10.637 1.705 0.679 0.316 0.929 0.857 CB 1.310 15 residues pruned to eliminate duplicates Z: 9 10.190 1.773 0.324 0.640 1.000 0.750 CA 1.346 9 residues pruned to eliminate duplicates Z: 14 15.081 1.663 0.860 0.832 0.846 0.692 CA 1.200 14 residues pruned to eliminate duplicates Z: 13 17.342 1.738 0.621 0.882 1.000 0.833 CA 1.286 12 residues pruned to eliminate duplicates Z: 9 6.171 1.751 0.222 0.406 0.875 0.625 CB 1.286 9 residues pruned to eliminate duplicates Z: 11 10.289 1.727 0.596 0.925 1.000 1.000 CB 0.829 11 residues pruned to eliminate duplicates Z: 6 3.124 1.307 0.239 0.582 0.800 0.600 C 0.996 Z: 30 21.581 1.758 0.696 0.494 0.966 0.552 CA 1.401 30 residues pruned to eliminate duplicates Z: 6 2.046 1.305 0.456 0.443 1.000 0.600 CB 0.511 Z: 8 5.387 1.688 0.644 0.422 0.714 0.571 CA 1.114 8 residues pruned to eliminate duplicates Z: 10 10.892 1.960 0.610 0.630 0.889 0.667 CB 1.146 10 residues pruned to eliminate duplicates Z: 10 6.263 1.449 0.817 0.418 0.778 0.222 CA 1.110 10 residues pruned to eliminate duplicates Z: 6 2.415 1.548 0.259 0.378 0.600 0.200 N 1.052 Z: 23 19.933 1.883 0.594 0.665 1.000 0.636 CA 1.216 23 residues pruned to eliminate duplicates Z: 6 8.352 1.793 0.445 0.609 1.000 0.800 CA 1.299 6 residues pruned to eliminate duplicates Z: 6 2.704 1.374 0.424 0.298 1.000 0.400 CB 0.774 Z: 6 3.654 1.443 0.490 0.348 0.800 0.600 CA 1.120 998 residues left after pruning, divided into chains as follows: A: 17 B: 16 C: 60 D: 14 E: 16 F: 7 G: 9 H: 42 I: 8 J: 7 K: 26 L: 53 M: 45 N: 60 O: 25 P: 8 Q: 72 R: 68 S: 14 T: 13 U: 49 V: 21 W: 42 X: 166 Y: 14 Z: 26 Z: 13 Z: 9 Z: 78 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 49.65 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.357, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.429, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.508, Connect. = 0.754 for dens.mod. cycle 3 = 0.300, Contrast = 0.518, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.529, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.532, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.537, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.538, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.541, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.542, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5433 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1323 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 24.672 2.239 0.793 0.878 0.889 0.444 CA 1.671 B: 13 28.029 2.217 0.739 0.916 0.917 0.833 CA 1.617 C: 14 29.673 2.070 0.936 0.864 1.000 0.385 CA 1.505 D: 12 23.047 2.120 0.715 0.889 0.909 0.818 CB 1.514 E: 15 23.543 2.137 0.607 0.876 0.857 0.643 CA 1.554 15 residues pruned to eliminate duplicates F: 10 27.025 2.169 0.868 0.890 1.000 0.333 CB 1.599 9 residues pruned to eliminate duplicates G: 12 23.664 2.158 0.808 0.867 1.000 0.727 CB 1.338 12 residues pruned to eliminate duplicates H: 12 28.941 2.231 0.927 0.918 0.909 0.818 CB 1.574 12 residues pruned to eliminate duplicates I: 14 23.157 2.088 0.667 0.843 0.923 0.615 CB 1.489 11 residues pruned to eliminate duplicates J: 14 33.872 2.153 0.850 0.905 1.000 0.769 CA 1.678 13 residues pruned to eliminate duplicates K: 17 27.445 1.992 0.728 0.856 1.000 0.688 CA 1.470 L: 14 20.662 2.055 0.650 0.790 0.923 0.692 CB 1.419 14 residues pruned to eliminate duplicates M: 15 22.107 2.015 0.668 0.862 0.929 0.857 CA 1.390 15 residues pruned to eliminate duplicates N: 15 16.448 1.951 0.409 0.851 0.857 0.643 CA 1.381 O: 14 29.033 2.224 0.806 0.904 1.000 0.538 CB 1.428 P: 14 26.492 2.057 0.899 0.894 0.923 0.462 CA 1.463 14 residues pruned to eliminate duplicates Q: 15 31.255 2.070 0.998 0.876 1.000 0.571 CA 1.468 14 residues pruned to eliminate duplicates R: 14 28.342 2.162 0.643 0.917 1.000 0.769 CA 1.562 15 residues pruned to eliminate duplicates S: 17 28.183 2.006 0.761 0.880 1.000 0.750 CA 1.445 16 residues pruned to eliminate duplicates T: 15 25.951 2.010 0.774 0.841 1.000 0.429 CA 1.451 15 residues pruned to eliminate duplicates U: 16 21.075 2.052 0.542 0.821 0.933 0.600 CA 1.395 16 residues pruned to eliminate duplicates V: 13 20.196 2.079 0.627 0.886 0.917 0.750 CB 1.356 W: 15 28.330 2.095 0.855 0.869 1.000 0.643 CA 1.423 13 residues pruned to eliminate duplicates X: 16 22.914 2.044 0.653 0.851 0.933 0.800 CA 1.388 16 residues pruned to eliminate duplicates Y: 20 13.546 1.877 0.322 0.445 0.947 0.684 CB 1.398 Z: 16 26.817 2.008 0.595 0.888 1.000 0.867 CA 1.557 16 residues pruned to eliminate duplicates Z: 14 22.189 1.943 0.629 0.919 1.000 0.692 CA 1.369 14 residues pruned to eliminate duplicates Z: 16 25.972 2.006 0.653 0.856 1.000 0.600 CA 1.491 16 residues pruned to eliminate duplicates Z: 11 11.995 2.001 0.357 0.744 0.900 0.800 CB 1.248 11 residues pruned to eliminate duplicates Z: 13 16.014 1.920 0.659 0.891 1.000 0.750 CB 1.043 Z: 14 29.556 2.057 0.901 0.899 1.000 0.692 CA 1.498 14 residues pruned to eliminate duplicates Z: 15 28.440 2.022 0.646 0.860 1.000 0.786 CA 1.680 16 residues pruned to eliminate duplicates Z: 15 17.544 1.857 0.921 0.798 0.857 0.357 CB 1.181 15 residues pruned to eliminate duplicates Z: 11 26.857 2.161 0.819 0.939 1.000 0.300 CB 1.501 11 residues pruned to eliminate duplicates Z: 14 19.730 1.989 0.486 0.866 1.000 0.923 CA 1.356 Z: 7 14.137 2.060 0.669 0.651 1.000 0.667 CB 1.458 Z: 7 10.422 1.816 0.669 0.766 1.000 0.667 CA 1.109 Z: 17 12.311 1.797 0.219 0.795 0.938 0.625 CA 1.158 Z: 13 12.378 1.975 0.238 0.857 1.000 0.750 CB 1.077 Z: 17 23.180 2.104 0.752 0.839 0.812 0.500 CB 1.445 17 residues pruned to eliminate duplicates Z: 13 23.072 2.135 0.592 0.888 1.000 0.833 CA 1.411 14 residues pruned to eliminate duplicates Z: 12 13.586 1.948 0.658 0.930 0.909 0.909 CB 0.975 12 residues pruned to eliminate duplicates Z: 10 17.050 2.147 0.611 0.878 0.778 0.222 CB 1.533 10 residues pruned to eliminate duplicates Z: 14 26.509 2.008 0.757 0.884 1.000 0.769 CA 1.506 12 residues pruned to eliminate duplicates Z: 14 29.331 2.110 1.022 0.862 0.923 0.769 CB 1.516 14 residues pruned to eliminate duplicates Z: 15 15.533 1.846 0.285 0.862 0.929 0.857 CB 1.383 Z: 19 11.701 1.794 0.517 0.408 0.833 0.556 CB 1.339 Z: 13 15.592 2.120 0.134 0.906 1.000 0.917 CA 1.332 13 residues pruned to eliminate duplicates Z: 11 16.138 2.156 0.465 0.890 0.800 0.500 CB 1.452 11 residues pruned to eliminate duplicates Z: 11 14.295 1.812 0.858 0.812 0.800 0.700 CA 1.279 Z: 13 19.658 2.067 0.755 0.891 0.917 0.833 CB 1.227 13 residues pruned to eliminate duplicates Z: 13 16.555 1.971 0.561 0.802 0.917 0.417 CB 1.302 13 residues pruned to eliminate duplicates Z: 27 23.389 2.027 0.705 0.555 0.923 0.538 CA 1.364 Z: 12 15.331 2.000 0.303 0.899 1.000 1.000 CA 1.268 Z: 6 9.064 1.964 0.607 0.732 0.800 0.600 CB 1.302 Z: 14 26.034 2.014 0.807 0.891 1.000 0.692 CB 1.427 14 residues pruned to eliminate duplicates Z: 35 28.399 2.087 0.618 0.542 0.912 0.559 CB 1.518 15 residues pruned to eliminate duplicates Z: 11 12.858 1.925 0.716 0.888 0.900 0.800 CB 0.985 11 residues pruned to eliminate duplicates Z: 16 29.618 2.170 0.908 0.923 0.867 0.533 CB 1.497 15 residues pruned to eliminate duplicates Z: 11 18.571 1.873 0.913 0.813 0.900 0.700 CB 1.387 Z: 15 21.634 2.052 0.468 0.833 1.000 0.571 CA 1.440 15 residues pruned to eliminate duplicates Z: 17 28.965 2.172 0.790 0.889 1.000 0.562 CA 1.341 21 residues pruned to eliminate duplicates Z: 19 12.571 1.817 0.626 0.456 0.833 0.722 CB 1.259 Z: 16 22.521 1.982 0.577 0.911 1.000 0.933 CA 1.318 Z: 10 8.152 1.742 0.572 0.296 0.889 0.556 N 1.403 Z: 13 20.845 2.045 0.530 0.931 0.917 0.833 CB 1.465 14 residues pruned to eliminate duplicates Z: 14 23.026 2.033 0.810 0.904 0.923 0.769 CA 1.340 13 residues pruned to eliminate duplicates Z: 16 26.499 2.213 0.663 0.900 1.000 0.800 CA 1.328 16 residues pruned to eliminate duplicates Z: 17 25.130 1.983 0.622 0.825 1.000 0.562 CA 1.475 17 residues pruned to eliminate duplicates Z: 14 18.417 1.855 0.988 0.813 0.846 0.769 CB 1.247 Z: 15 25.135 2.022 0.593 0.922 1.000 0.929 CA 1.466 15 residues pruned to eliminate duplicates Z: 16 15.118 1.681 0.546 0.800 1.000 0.800 CA 1.156 11 residues pruned to eliminate duplicates Z: 10 11.388 1.769 0.534 0.753 0.889 0.444 CA 1.256 10 residues pruned to eliminate duplicates Z: 15 20.151 1.930 0.825 0.885 0.857 0.643 CA 1.288 14 residues pruned to eliminate duplicates Z: 17 26.139 2.121 0.637 0.922 0.875 0.562 CA 1.512 16 residues pruned to eliminate duplicates Z: 20 11.249 1.788 0.495 0.415 0.842 0.632 CB 1.254 20 residues pruned to eliminate duplicates Z: 12 17.465 2.012 0.501 0.869 1.000 0.727 CA 1.274 12 residues pruned to eliminate duplicates Z: 13 19.187 2.102 0.357 0.924 0.917 0.917 CA 1.487 13 residues pruned to eliminate duplicates Z: 14 20.323 1.965 0.766 0.856 1.000 0.692 CB 1.198 13 residues pruned to eliminate duplicates Z: 36 24.884 2.031 0.492 0.522 0.914 0.600 CB 1.486 20 residues pruned to eliminate duplicates Z: 13 20.896 2.098 0.454 0.900 0.917 0.750 CB 1.540 13 residues pruned to eliminate duplicates Z: 13 14.433 1.970 0.071 0.918 1.000 0.917 CA 1.393 14 residues pruned to eliminate duplicates Z: 14 22.570 1.955 0.701 0.811 1.000 0.846 CA 1.435 Z: 17 30.211 2.209 0.777 0.873 1.000 0.750 CA 1.401 17 residues pruned to eliminate duplicates Z: 21 13.051 1.715 0.624 0.409 0.900 0.650 CB 1.281 20 residues pruned to eliminate duplicates Z: 16 16.214 1.737 0.574 0.789 1.000 0.533 CA 1.187 16 residues pruned to eliminate duplicates Z: 37 27.289 2.027 0.591 0.490 0.944 0.639 CA 1.509 35 residues pruned to eliminate duplicates Z: 25 11.805 1.917 0.492 0.427 0.750 0.333 CB 1.211 11 residues pruned to eliminate duplicates Z: 13 15.563 2.020 0.796 0.824 0.750 0.583 CB 1.247 13 residues pruned to eliminate duplicates Z: 12 8.394 1.714 0.500 0.365 0.818 0.364 CB 1.392 Z: 11 15.813 1.950 0.729 0.868 1.000 0.800 CB 1.084 10 residues pruned to eliminate duplicates Z: 10 18.735 2.273 0.474 0.840 0.889 0.333 CB 1.565 10 residues pruned to eliminate duplicates Z: 12 16.531 1.982 0.487 0.865 1.000 0.727 CB 1.240 Z: 17 23.305 1.978 0.628 0.899 1.000 0.938 CA 1.293 17 residues pruned to eliminate duplicates Z: 17 16.914 1.906 0.412 0.900 1.000 0.875 CA 1.122 Z: 33 11.827 1.823 0.523 0.369 0.719 0.531 CB 1.205 47 residues pruned to eliminate duplicates Z: 16 23.067 1.982 0.540 0.865 1.000 0.667 CA 1.429 16 residues pruned to eliminate duplicates Z: 16 25.916 2.195 0.572 0.872 0.933 0.733 CA 1.515 16 residues pruned to eliminate duplicates Z: 15 17.474 1.835 0.497 0.826 1.000 0.857 CA 1.282 15 residues pruned to eliminate duplicates Z: 42 20.539 1.943 0.389 0.481 0.951 0.634 CB 1.274 35 residues pruned to eliminate duplicates Z: 12 22.440 2.043 0.676 0.905 1.000 0.818 CA 1.407 12 residues pruned to eliminate duplicates Z: 14 28.065 2.176 0.804 0.847 0.923 0.538 CA 1.594 14 residues pruned to eliminate duplicates Z: 17 24.919 2.166 0.691 0.858 1.000 0.562 CA 1.252 17 residues pruned to eliminate duplicates Z: 6 7.487 1.799 0.189 0.726 1.000 0.800 CB 1.277 Z: 13 24.618 2.107 0.671 0.915 0.917 0.917 CB 1.556 13 residues pruned to eliminate duplicates Z: 14 17.510 1.942 0.642 0.845 0.923 0.538 CB 1.226 14 residues pruned to eliminate duplicates Z: 17 26.548 2.146 0.674 0.821 1.000 0.562 CA 1.398 17 residues pruned to eliminate duplicates Z: 17 22.666 2.129 0.429 0.886 0.938 0.688 CA 1.432 17 residues pruned to eliminate duplicates Z: 11 8.789 1.734 0.528 0.372 1.000 0.600 CB 1.203 Z: 30 18.060 1.906 0.485 0.533 0.931 0.448 CB 1.231 7 residues pruned to eliminate duplicates Z: 14 22.241 2.039 0.593 0.907 1.000 0.846 CA 1.350 14 residues pruned to eliminate duplicates Z: 10 13.112 1.877 0.544 0.926 1.000 1.000 CA 1.058 10 residues pruned to eliminate duplicates Z: 14 19.185 1.948 0.609 0.882 1.000 0.692 CA 1.229 12 residues pruned to eliminate duplicates Z: 40 25.422 1.980 0.561 0.479 0.923 0.667 CB 1.458 33 residues pruned to eliminate duplicates Z: 16 28.845 2.210 0.602 0.898 0.933 0.800 CB 1.612 16 residues pruned to eliminate duplicates Z: 13 13.655 1.965 0.619 0.593 0.917 0.417 CA 1.236 13 residues pruned to eliminate duplicates Z: 14 18.596 1.883 0.503 0.869 0.923 0.769 CA 1.442 14 residues pruned to eliminate duplicates Z: 13 25.411 2.049 0.623 0.930 1.000 0.917 CB 1.542 14 residues pruned to eliminate duplicates Z: 15 24.241 1.920 0.837 0.877 1.000 0.643 CA 1.334 14 residues pruned to eliminate duplicates Z: 10 16.460 2.017 0.610 0.905 1.000 0.889 CA 1.203 10 residues pruned to eliminate duplicates Z: 13 14.422 1.789 0.526 0.842 0.917 0.583 CA 1.239 Z: 17 32.196 2.147 0.792 0.877 1.000 0.812 CA 1.519 16 residues pruned to eliminate duplicates Z: 18 17.487 1.761 0.590 0.841 0.941 0.588 CB 1.200 17 residues pruned to eliminate duplicates Z: 17 30.318 2.149 0.924 0.888 1.000 0.688 CA 1.321 17 residues pruned to eliminate duplicates Z: 48 31.787 2.037 0.631 0.589 0.957 0.681 CB 1.339 26 residues pruned to eliminate duplicates Z: 11 14.092 1.842 0.660 0.880 1.000 0.800 CA 1.056 11 residues pruned to eliminate duplicates Z: 15 15.737 1.678 0.576 0.826 1.000 0.786 CA 1.199 Z: 14 20.767 1.861 0.611 0.871 1.000 0.769 CA 1.400 14 residues pruned to eliminate duplicates Z: 13 15.305 2.092 0.246 0.903 0.917 0.917 CA 1.319 13 residues pruned to eliminate duplicates Z: 16 12.480 1.986 0.367 0.585 0.933 0.600 CA 1.172 16 residues pruned to eliminate duplicates Z: 10 6.070 1.859 0.316 0.293 0.778 0.556 CB 1.341 Z: 15 17.404 1.898 0.378 0.915 0.929 0.786 CA 1.354 15 residues pruned to eliminate duplicates Z: 13 12.369 1.689 0.476 0.810 1.000 0.667 CB 1.093 Z: 11 10.878 1.949 0.165 0.867 1.000 0.700 CA 1.108 11 residues pruned to eliminate duplicates Z: 14 19.768 1.840 0.672 0.843 0.923 0.462 CA 1.438 14 residues pruned to eliminate duplicates Z: 11 18.279 2.152 0.713 0.919 1.000 0.700 CB 1.105 11 residues pruned to eliminate duplicates Z: 16 30.736 2.245 0.712 0.915 0.933 0.800 CA 1.565 16 residues pruned to eliminate duplicates Z: 15 16.942 1.798 0.444 0.841 0.929 0.786 CB 1.401 15 residues pruned to eliminate duplicates Z: 16 12.114 1.810 0.083 0.840 1.000 0.600 CB 1.190 16 residues pruned to eliminate duplicates Z: 14 21.772 1.845 0.747 0.917 1.000 0.923 CA 1.321 Z: 14 23.369 1.984 0.806 0.881 0.923 0.385 CA 1.419 15 residues pruned to eliminate duplicates Z: 14 20.738 2.115 0.219 0.910 1.000 0.846 CA 1.582 14 residues pruned to eliminate duplicates Z: 15 14.693 1.847 0.804 0.741 0.857 0.500 CB 1.109 15 residues pruned to eliminate duplicates Z: 15 16.124 1.799 0.411 0.886 1.000 0.571 CA 1.224 15 residues pruned to eliminate duplicates Z: 15 6.777 1.700 0.321 0.324 0.857 0.643 CA 1.141 15 residues pruned to eliminate duplicates Z: 13 14.847 1.774 0.494 0.865 0.917 0.833 CA 1.292 13 residues pruned to eliminate duplicates Z: 10 20.359 2.122 0.489 0.902 1.000 0.889 CA 1.532 10 residues pruned to eliminate duplicates Z: 7 6.265 1.873 0.020 0.855 1.000 0.667 CA 0.988 Z: 14 17.573 1.842 0.541 0.883 1.000 0.692 CB 1.242 15 residues pruned to eliminate duplicates Z: 18 20.793 2.009 0.444 0.883 1.000 0.706 CA 1.256 18 residues pruned to eliminate duplicates Z: 24 12.774 1.787 0.385 0.415 0.870 0.435 CB 1.352 19 residues pruned to eliminate duplicates Z: 26 21.655 2.012 0.502 0.588 0.920 0.760 CA 1.432 26 residues pruned to eliminate duplicates Z: 31 28.884 2.129 0.713 0.581 0.867 0.467 CA 1.543 21 residues pruned to eliminate duplicates Z: 15 15.365 1.947 0.335 0.865 1.000 0.786 CB 1.157 15 residues pruned to eliminate duplicates Z: 14 14.361 1.926 0.096 0.854 1.000 0.846 CA 1.393 14 residues pruned to eliminate duplicates Z: 30 13.994 1.903 0.495 0.345 0.828 0.448 CA 1.306 50 residues pruned to eliminate duplicates Z: 21 18.032 2.015 0.461 0.551 0.900 0.500 CA 1.448 19 residues pruned to eliminate duplicates Z: 17 23.572 2.148 0.454 0.894 1.000 0.812 CA 1.353 17 residues pruned to eliminate duplicates Z: 17 29.130 2.153 0.692 0.895 1.000 0.688 CA 1.433 17 residues pruned to eliminate duplicates Z: 13 21.834 2.107 0.495 0.883 1.000 0.750 CA 1.447 13 residues pruned to eliminate duplicates Z: 24 15.025 1.811 0.530 0.466 0.913 0.696 CB 1.282 Z: 13 24.170 2.153 0.640 0.890 1.000 0.917 CA 1.421 13 residues pruned to eliminate duplicates Z: 14 21.396 1.821 0.787 0.881 1.000 0.692 CA 1.321 13 residues pruned to eliminate duplicates Z: 14 14.791 1.874 0.532 0.882 0.846 0.385 CB 1.222 14 residues pruned to eliminate duplicates Z: 7 7.495 1.909 0.582 0.534 1.000 0.667 CB 0.980 Z: 17 10.703 1.696 0.366 0.741 0.938 0.562 CB 0.993 Z: 15 26.048 2.156 0.690 0.878 1.000 0.786 CA 1.387 15 residues pruned to eliminate duplicates Z: 8 5.825 1.789 -0.194 0.775 1.000 0.714 CA 1.198 8 residues pruned to eliminate duplicates Z: 17 20.583 2.014 0.482 0.855 0.875 0.562 CA 1.454 17 residues pruned to eliminate duplicates Z: 33 26.241 1.987 0.736 0.499 0.938 0.562 CB 1.435 33 residues pruned to eliminate duplicates Z: 6 11.637 1.831 0.617 0.826 1.000 0.800 CA 1.325 6 residues pruned to eliminate duplicates Z: 7 8.187 1.782 0.308 0.560 1.000 0.833 CA 1.352 7 residues pruned to eliminate duplicates Z: 17 28.674 1.975 0.687 0.834 1.000 0.562 CA 1.613 17 residues pruned to eliminate duplicates Z: 46 30.536 1.968 0.830 0.544 0.867 0.422 CB 1.398 40 residues pruned to eliminate duplicates Z: 11 24.489 2.176 0.635 0.911 1.000 0.900 CA 1.542 11 residues pruned to eliminate duplicates Z: 15 19.883 1.890 0.724 0.922 1.000 0.786 CA 1.147 14 residues pruned to eliminate duplicates Z: 7 6.915 1.810 0.508 0.421 0.833 0.333 CB 1.347 7 residues pruned to eliminate duplicates Z: 16 27.622 2.233 0.682 0.875 1.000 0.867 CA 1.381 16 residues pruned to eliminate duplicates Z: 13 13.398 1.858 0.513 0.837 0.917 0.583 CB 1.123 13 residues pruned to eliminate duplicates Z: 55 24.025 1.796 0.599 0.489 0.870 0.500 CB 1.323 38 residues pruned to eliminate duplicates Z: 14 16.157 1.872 0.501 0.740 1.000 0.538 CA 1.286 14 residues pruned to eliminate duplicates Z: 9 12.876 1.996 0.574 0.858 1.000 1.000 CA 1.067 9 residues pruned to eliminate duplicates Z: 14 24.271 2.045 0.752 0.875 1.000 0.692 CA 1.366 14 residues pruned to eliminate duplicates Z: 13 17.458 1.917 0.601 0.767 1.000 0.750 CA 1.296 13 residues pruned to eliminate duplicates Z: 18 12.649 1.906 0.526 0.341 0.882 0.412 CB 1.422 7 residues pruned to eliminate duplicates Z: 12 21.680 2.080 0.609 0.911 1.000 0.727 CA 1.384 12 residues pruned to eliminate duplicates Z: 16 17.545 1.956 0.442 0.908 1.000 0.933 CA 1.140 17 residues pruned to eliminate duplicates Z: 13 18.133 1.961 0.543 0.756 1.000 0.667 CA 1.378 13 residues pruned to eliminate duplicates Z: 6 8.244 1.712 0.389 0.674 1.000 0.600 CA 1.321 Z: 7 5.526 1.722 0.693 0.608 0.667 0.333 CB 1.047 7 residues pruned to eliminate duplicates Z: 16 17.788 2.036 0.289 0.855 1.000 0.667 CA 1.292 16 residues pruned to eliminate duplicates Z: 44 18.601 1.864 0.404 0.454 0.884 0.581 CB 1.286 45 residues pruned to eliminate duplicates Z: 10 7.488 1.608 0.744 0.440 0.778 0.444 CA 1.217 10 residues pruned to eliminate duplicates Z: 14 18.539 1.865 0.770 0.878 0.923 0.769 CB 1.224 14 residues pruned to eliminate duplicates Z: 15 20.591 1.872 0.722 0.793 1.000 0.643 CA 1.320 14 residues pruned to eliminate duplicates Z: 11 16.771 1.847 1.178 0.832 0.800 0.800 CA 1.237 11 residues pruned to eliminate duplicates Z: 10 11.351 2.001 0.579 0.414 1.000 0.667 CB 1.310 11 residues pruned to eliminate duplicates Z: 30 21.053 1.981 0.840 0.473 0.862 0.621 CA 1.278 29 residues pruned to eliminate duplicates Z: 14 19.335 2.032 0.500 0.866 1.000 0.846 CA 1.288 14 residues pruned to eliminate duplicates Z: 40 22.350 1.955 0.680 0.458 0.897 0.641 CB 1.267 26 residues pruned to eliminate duplicates Z: 13 17.905 2.095 0.272 0.890 1.000 0.833 CB 1.395 13 residues pruned to eliminate duplicates Z: 21 11.826 1.775 0.583 0.332 0.900 0.350 CA 1.256 21 residues pruned to eliminate duplicates Z: 61 33.147 2.000 0.605 0.542 0.917 0.567 CA 1.396 28 residues pruned to eliminate duplicates Z: 7 5.462 1.478 0.399 0.788 1.000 1.000 CA 0.837 7 residues pruned to eliminate duplicates Z: 59 24.186 1.966 0.561 0.495 0.759 0.466 CB 1.370 59 residues pruned to eliminate duplicates Z: 16 26.101 2.009 0.765 0.853 0.933 0.667 CA 1.505 16 residues pruned to eliminate duplicates Z: 17 23.890 2.009 0.945 0.900 0.812 0.750 CB 1.344 17 residues pruned to eliminate duplicates Z: 13 18.129 1.943 0.795 0.836 0.917 0.750 CA 1.225 14 residues pruned to eliminate duplicates Z: 21 20.057 2.036 0.376 0.641 0.900 0.800 CB 1.559 21 residues pruned to eliminate duplicates Z: 11 18.114 2.047 0.651 0.920 0.900 0.500 CA 1.326 11 residues pruned to eliminate duplicates Z: 7 7.126 1.442 0.238 0.808 1.000 0.833 N 1.246 7 residues pruned to eliminate duplicates Z: 7 7.853 1.648 0.531 0.636 1.000 0.667 N 1.119 Z: 15 12.256 1.871 0.969 0.317 0.929 0.571 CB 1.173 Z: 25 17.801 1.922 0.396 0.624 0.833 0.667 CB 1.446 14 residues pruned to eliminate duplicates Z: 11 18.876 2.041 0.518 0.915 1.000 0.900 CA 1.361 11 residues pruned to eliminate duplicates Z: 37 24.860 1.961 0.634 0.452 0.917 0.528 CA 1.482 23 residues pruned to eliminate duplicates Z: 54 38.555 2.072 0.616 0.632 0.981 0.660 CA 1.424 31 residues pruned to eliminate duplicates Z: 9 12.996 1.731 0.862 0.833 1.000 0.875 CA 1.070 Z: 13 20.430 1.939 0.815 0.779 0.917 0.750 CA 1.429 13 residues pruned to eliminate duplicates Z: 14 14.378 1.885 0.192 0.833 0.923 0.769 CA 1.443 14 residues pruned to eliminate duplicates Z: 13 24.654 1.968 0.835 0.927 1.000 0.833 CA 1.381 21 residues pruned to eliminate duplicates Z: 11 6.575 1.922 0.541 0.367 0.900 0.600 CB 0.900 11 residues pruned to eliminate duplicates Z: 22 17.296 1.859 0.503 0.509 0.905 0.714 CB 1.479 22 residues pruned to eliminate duplicates Z: 12 12.934 1.755 0.279 0.908 1.000 0.727 CB 1.234 Z: 52 32.571 2.057 0.551 0.603 0.980 0.569 CB 1.322 52 residues pruned to eliminate duplicates Z: 69 31.068 1.972 0.637 0.447 0.941 0.559 CB 1.309 52 residues pruned to eliminate duplicates Z: 15 17.690 1.811 0.617 0.822 0.929 0.714 CA 1.315 15 residues pruned to eliminate duplicates Z: 16 20.941 1.841 0.806 0.836 1.000 0.733 CA 1.217 16 residues pruned to eliminate duplicates Z: 12 14.822 1.896 0.370 0.884 1.000 0.727 CA 1.244 12 residues pruned to eliminate duplicates Z: 12 12.983 1.917 0.576 0.913 1.000 0.545 CB 0.917 12 residues pruned to eliminate duplicates Z: 17 16.402 1.942 0.471 0.899 0.812 0.688 CA 1.263 17 residues pruned to eliminate duplicates Z: 17 13.913 1.898 0.875 0.441 0.812 0.625 CA 1.278 13 residues pruned to eliminate duplicates Z: 10 17.394 1.847 0.780 0.854 1.000 0.667 CA 1.302 10 residues pruned to eliminate duplicates Z: 17 26.810 2.018 0.774 0.898 1.000 0.750 CA 1.339 17 residues pruned to eliminate duplicates Z: 12 15.341 1.989 0.292 0.888 1.000 0.909 CA 1.298 12 residues pruned to eliminate duplicates Z: 6 10.027 1.711 0.624 0.697 1.000 0.400 CA 1.348 6 residues pruned to eliminate duplicates Z: 18 19.478 1.872 0.507 0.849 0.941 0.706 CA 1.319 18 residues pruned to eliminate duplicates Z: 6 3.798 1.622 0.655 0.473 0.800 0.600 CB 0.812 Z: 14 11.550 1.790 0.142 0.929 1.000 0.846 CB 1.097 14 residues pruned to eliminate duplicates Z: 14 24.432 1.935 0.930 0.830 1.000 0.769 CA 1.364 14 residues pruned to eliminate duplicates Z: 18 22.040 1.881 0.747 0.870 0.941 0.529 CA 1.262 18 residues pruned to eliminate duplicates Z: 7 8.881 1.887 0.627 0.776 0.833 0.667 CA 1.111 Z: 35 29.132 2.059 0.579 0.529 0.971 0.588 CB 1.538 34 residues pruned to eliminate duplicates Z: 22 16.049 1.952 0.512 0.629 0.952 0.571 CB 1.103 22 residues pruned to eliminate duplicates Z: 12 23.096 2.032 1.025 0.829 0.909 0.727 CA 1.401 12 residues pruned to eliminate duplicates Z: 11 15.260 1.755 1.047 0.880 0.900 0.900 CB 1.082 11 residues pruned to eliminate duplicates Z: 20 12.198 1.741 0.540 0.598 0.789 0.737 CB 1.204 Z: 17 22.746 2.086 0.505 0.834 0.938 0.688 CA 1.448 17 residues pruned to eliminate duplicates Z: 12 19.744 1.970 0.922 0.909 0.818 0.545 CA 1.364 12 residues pruned to eliminate duplicates Z: 7 6.756 1.582 0.351 0.750 0.833 0.667 CB 1.240 6 residues pruned to eliminate duplicates Z: 12 7.923 1.616 0.377 0.888 0.909 0.727 CB 0.851 10 residues pruned to eliminate duplicates Z: 13 27.593 2.167 0.836 0.922 0.917 0.583 CA 1.536 13 residues pruned to eliminate duplicates Z: 13 24.893 1.990 0.820 0.895 1.000 0.667 CA 1.423 13 residues pruned to eliminate duplicates Z: 9 11.267 1.776 0.672 0.846 1.000 0.875 CA 0.997 8 residues pruned to eliminate duplicates Z: 11 7.031 1.642 0.384 0.412 0.900 0.500 CB 1.193 11 residues pruned to eliminate duplicates Z: 13 27.124 1.950 0.954 0.828 1.000 0.667 CB 1.547 13 residues pruned to eliminate duplicates Z: 6 13.180 1.936 0.707 0.787 1.000 0.600 CA 1.386 6 residues pruned to eliminate duplicates Z: 13 22.126 1.970 0.552 0.893 1.000 0.667 CB 1.500 14 residues pruned to eliminate duplicates Z: 13 8.371 1.454 0.883 0.698 0.833 0.583 CB 0.884 13 residues pruned to eliminate duplicates Z: 38 24.869 2.000 0.413 0.513 0.946 0.622 CB 1.510 38 residues pruned to eliminate duplicates Z: 18 20.520 1.949 0.617 0.806 0.941 0.647 CA 1.286 18 residues pruned to eliminate duplicates Z: 11 12.222 1.770 0.281 0.923 1.000 0.900 CA 1.198 11 residues pruned to eliminate duplicates Z: 52 31.560 2.001 0.681 0.578 0.882 0.549 CB 1.381 39 residues pruned to eliminate duplicates Z: 15 15.710 1.752 0.626 0.845 1.000 0.643 CA 1.096 15 residues pruned to eliminate duplicates Z: 6 6.653 1.681 0.252 0.632 1.000 0.800 CA 1.249 6 residues pruned to eliminate duplicates Z: 7 8.178 1.810 0.313 0.825 0.833 0.667 CB 1.272 Z: 54 36.822 2.046 0.629 0.618 0.962 0.642 CA 1.411 54 residues pruned to eliminate duplicates Z: 51 31.691 2.021 0.808 0.485 0.900 0.560 CA 1.384 42 residues pruned to eliminate duplicates Z: 13 18.267 1.913 0.736 0.792 0.917 0.667 CA 1.340 13 residues pruned to eliminate duplicates Z: 60 35.910 2.026 0.826 0.446 0.864 0.475 CB 1.546 60 residues pruned to eliminate duplicates Z: 14 11.757 1.885 0.741 0.320 0.923 0.538 CA 1.312 14 residues pruned to eliminate duplicates Z: 47 28.961 1.958 0.730 0.492 0.891 0.652 CA 1.427 47 residues pruned to eliminate duplicates Z: 12 17.843 1.922 0.556 0.924 1.000 0.818 CA 1.263 11 residues pruned to eliminate duplicates Z: 30 16.544 1.807 0.632 0.422 0.897 0.448 CB 1.260 30 residues pruned to eliminate duplicates Z: 53 37.395 2.070 0.600 0.610 0.981 0.654 CA 1.438 53 residues pruned to eliminate duplicates Z: 56 32.731 2.039 0.674 0.557 0.945 0.600 CB 1.295 57 residues pruned to eliminate duplicates Z: 35 23.296 2.004 0.629 0.552 0.853 0.559 CB 1.364 35 residues pruned to eliminate duplicates Z: 27 21.255 1.890 0.486 0.650 0.923 0.769 CA 1.398 33 residues pruned to eliminate duplicates Z: 8 5.250 1.514 0.293 0.692 0.714 0.286 CA 1.190 8 residues pruned to eliminate duplicates Z: 21 12.151 1.858 0.593 0.350 0.800 0.500 CA 1.350 21 residues pruned to eliminate duplicates Z: 8 8.188 1.855 0.281 0.854 0.857 0.714 CA 1.123 8 residues pruned to eliminate duplicates Z: 7 6.600 1.906 -0.017 0.805 1.000 0.667 CA 1.102 7 residues pruned to eliminate duplicates Z: 10 14.077 1.909 0.767 0.866 0.889 0.667 CA 1.146 10 residues pruned to eliminate duplicates Z: 14 16.925 1.937 0.367 0.887 1.000 0.923 CA 1.279 14 residues pruned to eliminate duplicates Z: 14 10.670 1.798 0.532 0.788 0.692 0.385 CA 1.205 14 residues pruned to eliminate duplicates Z: 6 4.273 1.675 0.343 0.396 0.800 0.600 CB 1.185 Z: 7 5.190 1.668 0.178 0.495 0.833 0.667 CB 1.299 Z: 6 10.872 1.972 0.411 0.706 1.000 0.800 CA 1.448 8 residues pruned to eliminate duplicates Z: 60 29.733 1.985 0.621 0.449 0.932 0.576 CB 1.359 60 residues pruned to eliminate duplicates Z: 39 23.559 2.025 0.442 0.471 0.921 0.500 CB 1.464 39 residues pruned to eliminate duplicates Z: 10 24.754 2.183 1.191 0.902 0.889 0.556 CB 1.384 10 residues pruned to eliminate duplicates Z: 77 39.844 2.032 0.711 0.524 0.908 0.526 CB 1.414 77 residues pruned to eliminate duplicates Z: 66 40.044 2.024 0.611 0.625 0.938 0.677 CA 1.443 66 residues pruned to eliminate duplicates Z: 17 11.930 1.795 0.728 0.254 0.938 0.438 CB 1.360 17 residues pruned to eliminate duplicates Z: 8 12.190 1.818 0.438 0.838 1.000 0.571 CA 1.317 8 residues pruned to eliminate duplicates Z: 32 32.059 2.132 0.735 0.618 0.968 0.613 CA 1.438 29 residues pruned to eliminate duplicates Z: 17 30.749 2.007 0.911 0.878 1.000 0.688 CA 1.455 17 residues pruned to eliminate duplicates Z: 24 10.752 1.710 0.339 0.575 0.783 0.348 CB 1.165 17 residues pruned to eliminate duplicates Z: 56 29.914 1.999 0.712 0.484 0.891 0.618 CB 1.345 56 residues pruned to eliminate duplicates Z: 14 18.581 1.979 0.461 0.868 0.923 0.846 CA 1.412 14 residues pruned to eliminate duplicates Z: 13 18.432 2.170 0.302 0.871 0.917 0.667 CB 1.499 13 residues pruned to eliminate duplicates Z: 14 11.038 1.578 0.569 0.883 0.923 0.462 CB 0.969 14 residues pruned to eliminate duplicates Z: 8 9.094 1.930 0.194 0.857 1.000 0.571 CB 1.099 Z: 11 14.238 2.003 0.532 0.919 1.000 0.800 CB 1.034 11 residues pruned to eliminate duplicates Z: 9 10.178 1.865 0.083 0.863 1.000 1.000 CB 1.307 8 residues pruned to eliminate duplicates Z: 7 7.291 1.907 0.347 0.805 0.833 0.833 CB 1.066 7 residues pruned to eliminate duplicates Z: 54 35.666 2.056 0.630 0.620 0.943 0.642 CA 1.384 54 residues pruned to eliminate duplicates Z: 44 26.366 1.954 0.609 0.621 0.884 0.558 CA 1.291 28 residues pruned to eliminate duplicates Z: 13 16.899 1.795 0.719 0.815 0.917 0.750 CA 1.312 13 residues pruned to eliminate duplicates Z: 13 14.084 1.985 0.645 0.463 1.000 0.750 CA 1.293 13 residues pruned to eliminate duplicates Z: 36 24.396 1.999 0.594 0.541 0.914 0.657 CA 1.359 36 residues pruned to eliminate duplicates Z: 15 22.734 2.041 0.635 0.850 0.857 0.786 CA 1.574 15 residues pruned to eliminate duplicates Z: 6 9.197 1.795 0.606 0.594 1.000 0.600 CA 1.304 6 residues pruned to eliminate duplicates Z: 14 19.536 2.001 0.557 0.885 0.923 0.692 CA 1.360 14 residues pruned to eliminate duplicates Z: 17 22.960 2.168 0.401 0.873 1.000 0.688 CA 1.376 17 residues pruned to eliminate duplicates Z: 10 11.556 1.789 0.457 0.794 0.889 0.889 CA 1.285 10 residues pruned to eliminate duplicates Z: 12 18.609 2.088 0.798 0.918 0.909 0.273 CB 1.159 12 residues pruned to eliminate duplicates Z: 9 22.914 2.109 1.220 0.908 1.000 0.625 CB 1.229 9 residues pruned to eliminate duplicates Z: 13 23.244 2.062 0.685 0.915 1.000 0.750 CA 1.365 13 residues pruned to eliminate duplicates Z: 58 28.637 1.968 0.469 0.519 0.930 0.544 CB 1.384 58 residues pruned to eliminate duplicates Z: 18 25.674 2.014 0.899 0.847 0.941 0.529 CA 1.284 18 residues pruned to eliminate duplicates Z: 8 10.282 1.753 0.327 0.830 1.000 0.571 CB 1.256 7 residues pruned to eliminate duplicates Z: 17 26.981 2.071 0.781 0.836 1.000 0.625 CB 1.369 17 residues pruned to eliminate duplicates Z: 39 19.441 1.949 0.572 0.536 0.895 0.684 CB 1.110 39 residues pruned to eliminate duplicates Z: 12 24.984 2.098 0.717 0.910 1.000 1.000 CB 1.484 12 residues pruned to eliminate duplicates Z: 13 6.569 1.671 0.218 0.409 0.917 0.417 CB 1.119 13 residues pruned to eliminate duplicates Z: 14 19.514 1.926 0.758 0.891 0.923 0.846 CA 1.245 15 residues pruned to eliminate duplicates Z: 45 21.225 1.780 0.610 0.546 0.886 0.500 CA 1.204 24 residues pruned to eliminate duplicates Z: 10 4.944 1.611 -0.070 0.492 1.000 0.778 CB 1.108 Z: 17 24.897 2.031 0.571 0.888 1.000 0.750 CA 1.405 17 residues pruned to eliminate duplicates Z: 7 6.684 1.733 0.515 0.766 0.833 0.500 CB 0.985 7 residues pruned to eliminate duplicates Z: 22 9.669 1.780 0.271 0.419 0.905 0.571 CB 1.121 20 residues pruned to eliminate duplicates Z: 15 24.297 1.984 0.449 0.877 1.000 0.571 CA 1.640 15 residues pruned to eliminate duplicates Z: 6 2.700 1.599 0.286 0.300 0.600 0.400 CB 1.224 Z: 11 15.783 1.849 0.430 0.917 1.000 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 13 18.982 2.014 0.608 0.865 1.000 0.667 CB 1.239 13 residues pruned to eliminate duplicates Z: 14 16.663 1.796 0.732 0.810 0.923 0.769 CB 1.229 19 residues pruned to eliminate duplicates Z: 13 22.055 1.960 0.994 0.923 0.917 0.833 CB 1.248 13 residues pruned to eliminate duplicates Z: 12 15.645 1.870 0.602 0.778 1.000 0.727 CA 1.232 9 residues pruned to eliminate duplicates Z: 66 42.948 2.052 0.667 0.654 0.923 0.677 CA 1.462 66 residues pruned to eliminate duplicates Z: 45 16.413 1.874 0.398 0.344 0.818 0.455 CB 1.368 45 residues pruned to eliminate duplicates Z: 6 4.384 1.774 0.077 0.615 1.000 0.600 CA 0.920 6 residues pruned to eliminate duplicates Z: 18 21.016 1.874 0.492 0.922 1.000 0.941 CA 1.282 18 residues pruned to eliminate duplicates Z: 38 21.022 1.854 0.513 0.527 0.946 0.459 CA 1.268 38 residues pruned to eliminate duplicates Z: 9 13.631 1.878 0.598 0.847 1.000 1.000 CB 1.192 9 residues pruned to eliminate duplicates Z: 14 19.142 1.863 0.669 0.757 1.000 0.615 CA 1.359 14 residues pruned to eliminate duplicates Z: 13 18.369 1.822 0.616 0.819 1.000 0.417 CA 1.365 13 residues pruned to eliminate duplicates Z: 12 9.947 1.618 0.158 0.912 1.000 0.909 CB 1.134 12 residues pruned to eliminate duplicates Z: 37 23.171 2.017 0.664 0.549 0.806 0.556 CB 1.362 37 residues pruned to eliminate duplicates Z: 7 7.163 1.575 0.583 0.629 0.833 0.500 CB 1.247 5 residues pruned to eliminate duplicates Z: 15 16.705 1.817 0.540 0.772 0.929 0.643 CA 1.351 15 residues pruned to eliminate duplicates Z: 25 18.049 1.950 0.368 0.597 0.917 0.583 CA 1.374 28 residues pruned to eliminate duplicates Z: 50 24.422 1.964 0.533 0.450 0.918 0.592 CB 1.328 47 residues pruned to eliminate duplicates Z: 8 4.327 1.660 -0.026 0.529 0.714 0.571 N 1.376 Z: 12 25.525 2.085 0.748 0.913 1.000 0.545 CB 1.494 12 residues pruned to eliminate duplicates Z: 40 21.543 1.977 0.554 0.485 0.846 0.487 CB 1.347 40 residues pruned to eliminate duplicates Z: 6 8.755 1.785 0.360 0.856 0.800 0.800 CA 1.487 6 residues pruned to eliminate duplicates Z: 16 21.564 2.021 0.609 0.918 1.000 0.667 CA 1.207 16 residues pruned to eliminate duplicates Z: 16 9.208 1.883 0.478 0.278 0.733 0.400 N 1.498 16 residues pruned to eliminate duplicates Z: 11 14.938 1.972 0.428 0.875 1.000 0.800 CA 1.220 11 residues pruned to eliminate duplicates Z: 14 13.749 1.852 0.352 0.798 1.000 0.615 CA 1.173 14 residues pruned to eliminate duplicates Z: 12 8.092 1.528 0.115 0.912 1.000 0.909 CB 1.014 12 residues pruned to eliminate duplicates Z: 79 43.138 2.040 0.693 0.595 0.936 0.679 CB 1.380 79 residues pruned to eliminate duplicates Z: 11 8.492 1.662 0.520 0.867 0.800 0.700 CA 0.972 8 residues pruned to eliminate duplicates Z: 16 21.360 1.761 0.718 0.800 1.000 0.600 CA 1.402 16 residues pruned to eliminate duplicates Z: 10 15.741 1.694 0.935 0.820 0.889 0.556 C 1.365 10 residues pruned to eliminate duplicates Z: 10 21.283 2.195 0.727 0.851 1.000 0.778 CA 1.385 10 residues pruned to eliminate duplicates Z: 15 32.818 2.114 0.868 0.869 1.000 0.571 CB 1.622 16 residues pruned to eliminate duplicates Z: 6 8.510 1.907 0.537 0.789 1.000 0.800 CB 1.007 Z: 16 11.722 1.832 0.594 0.362 0.867 0.600 CB 1.388 16 residues pruned to eliminate duplicates Z: 13 20.163 2.122 0.538 0.859 0.917 0.583 CA 1.432 13 residues pruned to eliminate duplicates Z: 13 13.369 1.920 0.730 0.842 1.000 0.667 CB 0.866 13 residues pruned to eliminate duplicates Z: 25 9.083 1.824 0.276 0.263 0.833 0.375 CB 1.253 25 residues pruned to eliminate duplicates Z: 7 8.694 1.642 0.931 0.472 0.833 0.500 CB 1.382 Z: 13 16.169 1.869 0.657 0.883 1.000 0.667 CA 1.090 13 residues pruned to eliminate duplicates Z: 12 12.359 1.756 0.217 0.899 1.000 0.909 CB 1.247 12 residues pruned to eliminate duplicates Z: 6 6.089 1.589 0.271 0.820 1.000 0.600 CB 1.021 6 residues pruned to eliminate duplicates Z: 8 4.958 1.726 0.143 0.344 1.000 0.571 CB 1.125 Z: 6 5.701 1.788 0.214 0.711 0.800 0.800 CB 1.213 Z: 14 14.920 1.903 0.294 0.855 0.923 0.692 CB 1.344 14 residues pruned to eliminate duplicates Z: 17 14.573 1.952 0.560 0.344 1.000 0.625 CB 1.418 18 residues pruned to eliminate duplicates Z: 9 15.489 1.994 0.438 0.871 0.875 0.500 CA 1.591 9 residues pruned to eliminate duplicates Z: 16 14.271 1.757 0.735 0.370 0.933 0.733 CB 1.489 24 residues pruned to eliminate duplicates Z: 8 7.766 1.901 0.587 0.562 0.714 0.714 N 1.282 8 residues pruned to eliminate duplicates Z: 13 15.454 1.961 0.122 0.909 1.000 1.000 CA 1.439 13 residues pruned to eliminate duplicates Z: 11 12.452 1.931 0.299 0.908 1.000 0.800 CA 1.114 11 residues pruned to eliminate duplicates Z: 93 33.920 1.889 0.592 0.512 0.870 0.598 CB 1.336 93 residues pruned to eliminate duplicates Z: 10 8.743 1.974 0.550 0.537 0.889 0.444 CB 1.033 10 residues pruned to eliminate duplicates Z: 8 4.051 1.600 0.166 0.711 0.714 0.714 CB 0.949 8 residues pruned to eliminate duplicates Z: 11 16.427 1.869 0.524 0.853 1.000 0.700 CA 1.347 11 residues pruned to eliminate duplicates Z: 26 17.391 1.741 0.597 0.591 0.880 0.760 CA 1.304 26 residues pruned to eliminate duplicates Z: 17 26.648 2.166 0.650 0.911 1.000 0.750 CA 1.321 17 residues pruned to eliminate duplicates Z: 16 33.907 2.154 1.008 0.908 1.000 0.600 CB 1.438 16 residues pruned to eliminate duplicates Z: 6 6.819 1.909 -0.004 0.823 1.000 0.800 CA 1.212 6 residues pruned to eliminate duplicates Z: 39 26.923 2.028 0.518 0.495 0.974 0.553 CA 1.464 39 residues pruned to eliminate duplicates Z: 49 25.630 1.956 0.588 0.511 0.917 0.500 CA 1.285 49 residues pruned to eliminate duplicates Z: 17 16.578 2.016 0.845 0.420 0.812 0.438 CB 1.490 17 residues pruned to eliminate duplicates Z: 13 7.666 1.623 0.595 0.625 0.667 0.333 CA 1.139 13 residues pruned to eliminate duplicates Z: 10 4.380 1.615 0.361 0.465 0.667 0.556 CB 1.032 Z: 31 23.743 2.046 0.786 0.553 0.900 0.567 CB 1.252 31 residues pruned to eliminate duplicates Z: 49 29.388 1.967 0.600 0.600 0.917 0.708 CB 1.337 38 residues pruned to eliminate duplicates Z: 14 19.591 1.884 0.582 0.811 1.000 0.692 CA 1.390 14 residues pruned to eliminate duplicates Z: 29 17.157 1.832 0.582 0.454 0.821 0.464 CB 1.428 29 residues pruned to eliminate duplicates Z: 10 4.020 1.508 0.572 0.166 0.778 0.222 O 1.091 Z: 9 3.300 1.754 0.021 0.256 0.750 0.500 CB 1.150 Z: 10 12.087 1.770 0.588 0.903 1.000 1.000 CA 1.022 10 residues pruned to eliminate duplicates Z: 12 15.645 1.894 0.722 0.879 1.000 0.636 CB 1.049 12 residues pruned to eliminate duplicates Z: 24 18.848 1.950 0.605 0.594 0.913 0.478 CB 1.257 25 residues pruned to eliminate duplicates Z: 6 9.667 1.913 0.667 0.772 1.000 0.800 CB 1.066 6 residues pruned to eliminate duplicates Z: 28 12.708 1.816 0.301 0.571 0.889 0.667 CB 1.087 28 residues pruned to eliminate duplicates Z: 13 24.073 1.966 0.886 0.898 1.000 0.750 CA 1.340 13 residues pruned to eliminate duplicates Z: 17 31.103 2.113 0.982 0.849 0.938 0.375 CB 1.469 17 residues pruned to eliminate duplicates Z: 14 18.325 1.907 0.549 0.823 1.000 0.692 CA 1.301 14 residues pruned to eliminate duplicates Z: 12 11.415 1.606 0.619 0.873 0.909 0.727 CA 1.061 12 residues pruned to eliminate duplicates Z: 9 6.999 1.679 0.097 0.844 0.875 0.500 CA 1.143 9 residues pruned to eliminate duplicates Z: 13 15.862 1.970 0.383 0.869 0.917 0.583 CA 1.339 13 residues pruned to eliminate duplicates Z: 8 9.888 1.676 0.349 0.907 1.000 1.000 CB 1.174 9 residues pruned to eliminate duplicates Z: 7 8.899 1.927 0.130 0.807 1.000 0.833 CB 1.276 7 residues pruned to eliminate duplicates Z: 14 19.554 1.951 0.520 0.869 0.923 0.923 CA 1.447 14 residues pruned to eliminate duplicates Z: 27 25.264 2.019 0.540 0.637 0.962 0.615 CA 1.457 27 residues pruned to eliminate duplicates Z: 7 3.153 1.636 -0.198 0.537 0.833 0.833 CB 1.134 7 residues pruned to eliminate duplicates Z: 17 18.188 1.850 0.415 0.893 1.000 0.875 CA 1.247 17 residues pruned to eliminate duplicates Z: 10 4.386 1.591 0.226 0.385 0.778 0.556 CB 1.089 Z: 13 13.453 1.567 0.592 0.891 1.000 0.833 CB 1.119 13 residues pruned to eliminate duplicates Z: 14 10.255 1.593 0.307 0.887 1.000 0.846 CB 0.984 13 residues pruned to eliminate duplicates Z: 16 28.705 2.058 0.716 0.871 1.000 0.533 CA 1.530 16 residues pruned to eliminate duplicates Z: 27 19.609 1.979 0.492 0.580 0.846 0.462 CB 1.426 27 residues pruned to eliminate duplicates Z: 27 20.477 1.882 0.684 0.619 0.885 0.731 CA 1.280 27 residues pruned to eliminate duplicates Z: 16 29.220 1.965 1.010 0.892 0.933 0.267 CB 1.470 16 residues pruned to eliminate duplicates Z: 28 13.011 1.785 0.585 0.375 0.815 0.370 CB 1.242 28 residues pruned to eliminate duplicates Z: 8 6.467 1.821 0.100 0.768 0.857 0.429 CA 1.121 8 residues pruned to eliminate duplicates Z: 11 6.061 1.650 0.387 0.441 0.800 0.400 CB 1.112 11 residues pruned to eliminate duplicates Z: 16 14.817 2.001 0.724 0.372 0.933 0.667 CB 1.362 16 residues pruned to eliminate duplicates Z: 19 10.696 1.790 0.465 0.619 0.833 0.722 CB 1.031 19 residues pruned to eliminate duplicates Z: 17 21.015 2.018 0.509 0.859 0.938 0.688 CA 1.354 17 residues pruned to eliminate duplicates Z: 15 11.359 1.624 0.395 0.752 1.000 0.786 CA 1.071 15 residues pruned to eliminate duplicates Z: 15 28.124 2.053 0.783 0.904 0.929 0.429 CB 1.575 15 residues pruned to eliminate duplicates Z: 10 9.066 1.874 0.005 0.916 1.000 1.000 CB 1.133 10 residues pruned to eliminate duplicates Z: 39 23.541 1.955 0.580 0.482 0.868 0.474 CB 1.450 39 residues pruned to eliminate duplicates Z: 8 4.454 1.529 0.508 0.395 0.857 0.429 CA 0.951 8 residues pruned to eliminate duplicates Z: 13 7.195 1.696 0.285 0.391 0.917 0.583 CA 1.167 9 residues pruned to eliminate duplicates Z: 7 8.206 1.686 0.758 0.844 1.000 0.667 CB 0.841 Z: 14 19.190 1.801 0.844 0.838 0.923 0.692 CA 1.298 14 residues pruned to eliminate duplicates Z: 12 11.537 1.627 0.439 0.873 1.000 0.909 CB 1.083 12 residues pruned to eliminate duplicates Z: 8 6.181 1.698 0.366 0.781 0.857 0.429 CB 0.917 8 residues pruned to eliminate duplicates Z: 14 12.547 1.649 0.494 0.856 1.000 0.846 CB 1.041 14 residues pruned to eliminate duplicates Z: 9 18.793 2.044 0.891 0.908 1.000 0.875 CA 1.221 9 residues pruned to eliminate duplicates Z: 20 19.203 1.961 0.621 0.559 0.895 0.737 CB 1.464 20 residues pruned to eliminate duplicates Z: 30 18.333 1.876 0.572 0.529 0.793 0.552 CB 1.414 30 residues pruned to eliminate duplicates Z: 12 12.371 1.880 0.420 0.773 0.818 0.455 CA 1.341 8 residues pruned to eliminate duplicates Z: 15 11.063 1.870 0.601 0.315 0.857 0.643 CA 1.413 15 residues pruned to eliminate duplicates Z: 17 29.813 2.155 0.843 0.899 0.938 0.750 CA 1.431 17 residues pruned to eliminate duplicates Z: 16 9.049 1.688 0.173 0.474 0.933 0.533 CB 1.298 15 residues pruned to eliminate duplicates Z: 17 20.451 1.959 0.768 0.765 0.812 0.188 CA 1.436 17 residues pruned to eliminate duplicates Z: 6 2.428 1.632 0.058 0.298 0.800 0.800 CB 0.985 Z: 15 17.676 1.784 0.821 0.907 0.857 0.714 CA 1.206 15 residues pruned to eliminate duplicates Z: 7 6.112 1.612 0.146 0.588 1.000 0.667 CA 1.242 6 residues pruned to eliminate duplicates Z: 6 5.862 1.642 0.771 0.653 0.800 0.800 CA 0.977 Z: 38 32.103 1.997 0.662 0.689 0.973 0.649 CB 1.375 38 residues pruned to eliminate duplicates Z: 15 22.768 2.063 0.670 0.647 0.929 0.643 CA 1.658 15 residues pruned to eliminate duplicates Z: 6 10.975 1.850 0.674 0.851 1.000 0.800 CA 1.174 6 residues pruned to eliminate duplicates Z: 11 20.347 1.830 1.075 0.855 0.900 0.800 CA 1.389 11 residues pruned to eliminate duplicates Z: 21 11.358 1.833 0.449 0.453 0.800 0.700 CB 1.255 21 residues pruned to eliminate duplicates Z: 10 8.034 1.646 0.474 0.487 0.889 0.444 CB 1.258 10 residues pruned to eliminate duplicates Z: 8 5.145 1.891 0.051 0.439 0.857 0.429 CA 1.216 5 residues pruned to eliminate duplicates Z: 7 5.973 1.505 0.495 0.790 0.833 0.333 C 1.008 7 residues pruned to eliminate duplicates Z: 11 15.272 2.015 0.316 0.882 1.000 0.800 CA 1.319 11 residues pruned to eliminate duplicates Z: 8 10.109 1.966 0.315 0.566 1.000 0.857 CA 1.387 8 residues pruned to eliminate duplicates Z: 6 2.716 1.540 -0.013 0.461 0.800 0.600 O 1.039 Z: 7 9.527 1.844 0.584 0.712 1.000 0.833 CB 1.099 8 residues pruned to eliminate duplicates Z: 15 20.501 2.041 0.633 0.641 0.929 0.643 CA 1.551 15 residues pruned to eliminate duplicates Z: 12 14.453 1.969 0.628 0.907 1.000 0.455 CB 0.966 12 residues pruned to eliminate duplicates Z: 8 3.299 1.542 -0.117 0.474 0.857 0.714 CB 1.097 8 residues pruned to eliminate duplicates Z: 11 4.084 1.576 0.256 0.431 0.700 0.500 CB 1.001 11 residues pruned to eliminate duplicates Z: 17 18.796 1.912 0.760 0.685 0.938 0.688 CB 1.257 17 residues pruned to eliminate duplicates Z: 14 18.983 1.818 0.758 0.858 1.000 0.692 CA 1.213 14 residues pruned to eliminate duplicates Z: 29 18.005 1.876 0.463 0.526 0.893 0.464 CA 1.354 29 residues pruned to eliminate duplicates Z: 16 24.255 2.087 0.432 0.924 1.000 0.800 CA 1.472 16 residues pruned to eliminate duplicates Z: 11 14.714 1.845 0.687 0.893 1.000 0.600 CB 1.073 11 residues pruned to eliminate duplicates Z: 13 10.618 1.655 0.581 0.843 1.000 0.417 CB 0.873 13 residues pruned to eliminate duplicates Z: 10 4.848 1.489 0.490 0.882 0.889 0.667 CB 0.593 Z: 7 7.179 1.590 0.464 0.836 1.000 0.667 CA 0.943 7 residues pruned to eliminate duplicates Z: 18 24.530 1.899 0.790 0.844 0.941 0.765 CA 1.384 18 residues pruned to eliminate duplicates Z: 38 26.180 1.970 0.511 0.640 0.946 0.730 CB 1.342 38 residues pruned to eliminate duplicates Z: 75 42.728 1.992 0.747 0.595 0.919 0.622 CB 1.419 74 residues pruned to eliminate duplicates Z: 7 5.529 1.359 0.689 0.670 0.833 0.667 CA 1.009 Z: 17 8.596 1.881 0.191 0.480 0.750 0.375 CB 1.304 17 residues pruned to eliminate duplicates Z: 10 12.744 1.827 0.601 0.796 0.889 0.889 CA 1.261 10 residues pruned to eliminate duplicates Z: 40 17.994 1.844 0.471 0.434 0.872 0.462 CB 1.305 33 residues pruned to eliminate duplicates Z: 11 11.634 1.791 0.523 0.761 0.900 0.600 CA 1.188 11 residues pruned to eliminate duplicates Z: 60 35.547 2.030 0.738 0.603 0.915 0.610 CB 1.299 60 residues pruned to eliminate duplicates Z: 15 10.613 1.868 0.432 0.434 0.929 0.643 CB 1.222 13 residues pruned to eliminate duplicates Z: 10 14.415 2.026 0.541 0.905 1.000 0.667 CB 1.095 10 residues pruned to eliminate duplicates Z: 22 11.932 1.740 0.416 0.493 0.905 0.714 CB 1.177 22 residues pruned to eliminate duplicates Z: 11 12.302 2.064 0.201 0.906 1.000 0.900 CB 1.116 11 residues pruned to eliminate duplicates Z: 68 39.300 2.002 0.619 0.607 0.940 0.731 CB 1.422 68 residues pruned to eliminate duplicates Z: 42 25.131 1.985 0.637 0.535 0.902 0.610 CA 1.293 42 residues pruned to eliminate duplicates Z: 8 8.348 1.813 0.405 0.810 0.857 0.857 CB 1.103 8 residues pruned to eliminate duplicates Z: 6 4.696 1.818 0.214 0.820 0.800 0.600 CA 0.901 6 residues pruned to eliminate duplicates Z: 7 8.874 1.824 0.697 0.761 1.000 0.667 CA 0.928 7 residues pruned to eliminate duplicates Z: 6 5.146 1.803 -0.184 0.861 1.000 1.000 CA 1.149 6 residues pruned to eliminate duplicates Z: 10 18.154 2.008 0.885 0.869 0.889 0.889 CB 1.313 10 residues pruned to eliminate duplicates Z: 15 11.996 1.731 0.460 0.463 0.929 0.643 CA 1.418 11 residues pruned to eliminate duplicates Z: 14 8.453 1.796 -0.055 0.806 0.923 0.769 CA 1.146 14 residues pruned to eliminate duplicates Z: 15 19.456 1.775 0.727 0.906 1.000 0.714 CA 1.207 15 residues pruned to eliminate duplicates Z: 44 27.659 2.012 0.579 0.487 0.930 0.558 CB 1.447 47 residues pruned to eliminate duplicates Z: 8 3.517 1.675 0.359 0.259 0.571 0.429 CA 1.347 8 residues pruned to eliminate duplicates Z: 7 4.352 1.634 0.297 0.432 0.833 0.667 CB 1.078 7 residues pruned to eliminate duplicates Z: 18 17.161 1.930 0.391 0.889 1.000 0.824 CA 1.116 18 residues pruned to eliminate duplicates Z: 13 18.741 1.883 0.748 0.893 1.000 0.667 CB 1.180 13 residues pruned to eliminate duplicates Z: 16 21.505 2.007 0.562 0.845 1.000 0.733 CA 1.317 16 residues pruned to eliminate duplicates Z: 16 27.392 2.148 0.747 0.871 0.933 0.667 CA 1.474 16 residues pruned to eliminate duplicates Z: 59 32.071 2.007 0.528 0.565 0.914 0.655 CB 1.412 59 residues pruned to eliminate duplicates Z: 8 5.677 1.709 0.491 0.566 0.714 0.571 CB 1.106 Z: 61 31.399 1.960 0.714 0.500 0.900 0.533 CA 1.341 63 residues pruned to eliminate duplicates Z: 10 5.709 1.884 0.242 0.321 0.667 0.333 CA 1.487 10 residues pruned to eliminate duplicates Z: 58 25.471 1.892 0.618 0.466 0.860 0.544 CB 1.327 58 residues pruned to eliminate duplicates Z: 6 3.435 1.867 -0.037 0.686 0.600 0.600 CB 1.201 6 residues pruned to eliminate duplicates Z: 65 40.300 2.038 0.627 0.644 0.938 0.625 CA 1.416 65 residues pruned to eliminate duplicates Z: 46 31.254 2.062 0.736 0.612 0.844 0.444 CB 1.386 45 residues pruned to eliminate duplicates Z: 14 15.409 1.820 0.746 0.705 1.000 0.769 CA 1.117 15 residues pruned to eliminate duplicates Z: 13 20.969 2.048 0.695 0.878 0.917 0.667 CB 1.381 13 residues pruned to eliminate duplicates Z: 60 34.208 1.964 0.730 0.469 0.932 0.644 CA 1.451 60 residues pruned to eliminate duplicates Z: 6 4.684 1.623 0.198 0.625 1.000 0.800 CB 0.958 Z: 18 17.612 1.895 0.352 0.875 0.941 0.588 CA 1.288 18 residues pruned to eliminate duplicates Z: 6 6.519 1.704 0.454 0.817 1.000 0.800 N 0.894 6 residues pruned to eliminate duplicates Z: 75 36.193 1.960 0.644 0.539 0.932 0.568 CB 1.348 87 residues pruned to eliminate duplicates Z: 9 12.119 1.894 0.801 0.543 0.875 0.625 CB 1.376 9 residues pruned to eliminate duplicates Z: 12 10.880 1.689 0.382 0.880 0.909 0.909 CB 1.120 12 residues pruned to eliminate duplicates Z: 6 6.874 1.952 0.525 0.709 1.000 1.000 CB 0.854 5 residues pruned to eliminate duplicates Z: 35 20.364 1.938 0.468 0.424 0.912 0.676 CA 1.458 35 residues pruned to eliminate duplicates Z: 7 6.735 1.843 0.145 0.856 1.000 1.000 CB 0.961 7 residues pruned to eliminate duplicates Z: 41 31.124 2.000 0.582 0.651 0.950 0.675 CA 1.422 41 residues pruned to eliminate duplicates Z: 7 4.384 1.855 0.155 0.640 0.667 0.500 CA 1.098 7 residues pruned to eliminate duplicates Z: 11 17.791 1.830 0.734 0.933 0.900 0.700 CB 1.375 11 residues pruned to eliminate duplicates Z: 13 10.221 1.704 0.439 0.849 0.917 0.750 CB 0.973 13 residues pruned to eliminate duplicates Z: 6 5.625 1.908 0.072 0.629 1.000 0.600 CA 1.090 6 residues pruned to eliminate duplicates Z: 12 16.904 1.814 0.880 0.800 0.909 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 12 5.389 1.573 0.200 0.276 0.909 0.545 CB 1.220 Z: 6 8.979 1.799 0.188 0.860 1.000 0.600 CA 1.382 6 residues pruned to eliminate duplicates Z: 25 21.273 2.017 0.993 0.396 0.833 0.500 CA 1.448 25 residues pruned to eliminate duplicates Z: 14 11.969 2.000 0.626 0.614 0.846 0.615 CA 1.083 14 residues pruned to eliminate duplicates Z: 15 16.547 1.590 0.665 0.846 1.000 0.929 CA 1.241 15 residues pruned to eliminate duplicates Z: 9 18.705 2.030 0.666 0.909 1.000 0.875 CA 1.388 9 residues pruned to eliminate duplicates Z: 54 30.788 1.969 0.627 0.529 0.887 0.528 CB 1.447 54 residues pruned to eliminate duplicates Z: 15 23.706 1.864 0.765 0.831 1.000 0.643 CA 1.447 15 residues pruned to eliminate duplicates Z: 9 6.109 1.616 0.283 0.424 0.875 0.625 CB 1.288 7 residues pruned to eliminate duplicates Z: 8 12.030 1.991 0.778 0.601 0.857 0.429 CA 1.361 8 residues pruned to eliminate duplicates Z: 18 15.171 1.891 0.350 0.863 0.882 0.588 CA 1.198 18 residues pruned to eliminate duplicates Z: 6 3.940 1.502 0.534 0.581 0.800 0.600 CB 0.884 Z: 14 16.021 1.888 0.538 0.911 1.000 0.692 CA 1.085 14 residues pruned to eliminate duplicates Z: 26 13.799 1.740 0.536 0.429 0.920 0.480 CB 1.209 26 residues pruned to eliminate duplicates Z: 11 5.583 1.665 0.327 0.475 0.700 0.700 CA 1.171 11 residues pruned to eliminate duplicates Z: 13 11.261 1.609 0.592 0.916 0.917 0.500 CB 0.978 13 residues pruned to eliminate duplicates Z: 8 5.539 1.591 0.459 0.444 0.857 0.429 O 1.115 8 residues pruned to eliminate duplicates Z: 13 9.302 1.931 0.393 0.287 0.833 0.667 CA 1.522 13 residues pruned to eliminate duplicates Z: 30 16.466 1.938 0.356 0.351 1.000 0.621 CB 1.366 30 residues pruned to eliminate duplicates Z: 14 5.909 1.613 0.449 0.338 0.769 0.462 CB 1.087 14 residues pruned to eliminate duplicates Z: 6 6.718 1.807 0.128 0.857 1.000 0.800 CA 1.086 6 residues pruned to eliminate duplicates Z: 6 6.466 1.860 -0.004 0.781 1.000 0.800 CA 1.219 6 residues pruned to eliminate duplicates Z: 6 4.212 1.443 0.339 0.682 0.800 0.600 N 1.031 6 residues pruned to eliminate duplicates Z: 6 3.336 1.584 0.365 0.361 0.800 0.600 CB 1.002 Z: 15 24.452 2.070 0.771 0.878 0.786 0.286 CA 1.646 15 residues pruned to eliminate duplicates Z: 8 4.944 1.663 -0.230 0.659 1.000 0.714 CB 1.258 Z: 20 11.006 1.762 0.517 0.401 0.895 0.421 CB 1.172 17 residues pruned to eliminate duplicates Z: 7 8.014 1.813 0.349 0.858 0.833 0.500 CA 1.182 7 residues pruned to eliminate duplicates Z: 7 2.898 1.632 -0.321 0.556 0.833 0.667 CB 1.213 Z: 10 4.879 1.612 0.412 0.437 0.778 0.556 N 0.980 Z: 34 12.151 1.649 0.552 0.487 0.788 0.424 CB 1.063 34 residues pruned to eliminate duplicates Z: 22 12.379 1.760 0.446 0.389 0.905 0.571 CB 1.319 23 residues pruned to eliminate duplicates Z: 12 11.891 1.816 0.627 0.551 0.909 0.818 CA 1.270 12 residues pruned to eliminate duplicates Z: 11 23.315 2.135 0.979 0.919 0.900 0.700 CB 1.366 11 residues pruned to eliminate duplicates Z: 7 5.298 1.550 0.411 0.385 1.000 0.500 O 1.118 Z: 22 17.442 1.869 0.568 0.540 0.857 0.619 CB 1.457 17 residues pruned to eliminate duplicates Z: 37 23.047 1.918 0.738 0.596 0.722 0.361 CB 1.455 37 residues pruned to eliminate duplicates Z: 11 3.008 1.578 0.327 0.282 0.600 0.400 CB 0.968 11 residues pruned to eliminate duplicates Z: 13 11.290 1.592 0.800 0.840 0.917 0.583 CB 0.925 13 residues pruned to eliminate duplicates Z: 29 19.866 1.945 0.528 0.538 0.929 0.607 CB 1.311 29 residues pruned to eliminate duplicates Z: 20 12.844 1.799 0.657 0.329 0.789 0.526 N 1.510 21 residues pruned to eliminate duplicates Z: 8 6.981 1.663 0.391 0.725 0.857 0.714 CB 1.087 8 residues pruned to eliminate duplicates Z: 13 17.878 1.873 0.710 0.892 0.917 0.667 CB 1.263 13 residues pruned to eliminate duplicates Z: 17 10.391 1.712 0.337 0.547 0.938 0.812 CA 1.156 17 residues pruned to eliminate duplicates Z: 16 11.580 1.963 0.301 0.289 1.000 0.600 CB 1.485 26 residues pruned to eliminate duplicates Z: 27 23.573 2.041 0.735 0.501 0.885 0.731 CA 1.474 27 residues pruned to eliminate duplicates Z: 14 26.211 1.969 0.954 0.885 0.923 0.615 CA 1.478 14 residues pruned to eliminate duplicates Z: 9 12.500 1.692 0.817 0.918 1.000 1.000 CB 1.013 7 residues pruned to eliminate duplicates Z: 9 10.609 1.847 0.388 0.669 1.000 0.750 CA 1.252 9 residues pruned to eliminate duplicates Z: 18 9.816 1.788 0.488 0.434 0.765 0.353 CB 1.252 18 residues pruned to eliminate duplicates Z: 19 7.684 1.591 0.674 0.293 0.778 0.444 CA 1.102 19 residues pruned to eliminate duplicates Z: 11 16.408 2.009 0.515 0.920 0.900 0.600 CA 1.333 11 residues pruned to eliminate duplicates Z: 7 12.036 1.815 0.726 0.849 1.000 0.667 CA 1.163 7 residues pruned to eliminate duplicates Z: 12 9.362 1.602 0.455 0.827 1.000 0.818 CB 0.913 12 residues pruned to eliminate duplicates Z: 16 9.052 1.821 0.525 0.583 0.667 0.533 CB 1.166 16 residues pruned to eliminate duplicates Z: 38 16.854 1.845 0.541 0.376 0.784 0.541 CA 1.420 38 residues pruned to eliminate duplicates Z: 7 10.584 1.656 0.645 0.674 1.000 0.833 CB 1.352 Z: 6 6.556 1.565 0.354 0.822 1.000 1.000 CB 1.046 6 residues pruned to eliminate duplicates Z: 11 10.208 1.835 0.702 0.479 0.700 0.600 CB 1.507 11 residues pruned to eliminate duplicates Z: 6 3.708 1.303 0.675 0.644 0.800 0.600 CA 0.829 Z: 45 24.550 1.881 0.452 0.600 0.932 0.727 CA 1.322 48 residues pruned to eliminate duplicates Z: 16 27.314 2.185 0.723 0.904 0.933 0.800 CA 1.429 16 residues pruned to eliminate duplicates Z: 71 28.571 1.869 0.671 0.440 0.857 0.586 CB 1.358 71 residues pruned to eliminate duplicates Z: 8 9.256 1.943 0.330 0.813 0.857 0.714 CA 1.203 8 residues pruned to eliminate duplicates 6 1.237 1.469 0.369 0.376 0.400 0.400 CB 0.785 ? Z: 9 12.945 1.782 0.933 0.755 0.875 0.750 CA 1.209 12 residues pruned to eliminate duplicates Z: 9 6.107 1.710 0.373 0.557 0.875 0.625 CA 0.994 9 residues pruned to eliminate duplicates Z: 15 15.683 1.839 0.544 0.880 0.929 0.714 CA 1.152 15 residues pruned to eliminate duplicates Z: 16 23.343 1.970 0.535 0.864 0.933 0.600 CA 1.566 16 residues pruned to eliminate duplicates Z: 6 7.601 1.607 0.602 0.664 1.000 0.600 CB 1.135 Z: 8 4.725 1.446 0.735 0.330 1.000 0.286 CB 0.857 8 residues pruned to eliminate duplicates Z: 30 27.989 1.973 0.611 0.656 0.966 0.724 CB 1.465 30 residues pruned to eliminate duplicates Z: 10 13.690 1.855 0.686 0.871 1.000 0.556 CA 1.064 10 residues pruned to eliminate duplicates Z: 6 6.078 1.620 0.542 0.435 1.000 0.400 CA 1.164 Z: 18 19.262 1.889 0.602 0.769 1.000 0.824 CB 1.217 18 residues pruned to eliminate duplicates Z: 15 18.059 1.994 0.441 0.916 1.000 0.643 CA 1.186 15 residues pruned to eliminate duplicates Z: 13 10.490 1.640 0.352 0.856 1.000 0.833 CB 1.007 14 residues pruned to eliminate duplicates Z: 26 14.570 1.839 0.342 0.511 0.880 0.520 CB 1.327 26 residues pruned to eliminate duplicates Z: 6 5.362 1.685 -0.067 0.768 1.000 0.800 CA 1.203 6 residues pruned to eliminate duplicates Z: 6 14.166 1.857 1.070 0.815 1.000 1.000 N 1.253 12 residues pruned to eliminate duplicates Z: 60 30.791 1.971 0.639 0.467 0.898 0.525 CB 1.429 62 residues pruned to eliminate duplicates Z: 8 5.114 1.614 0.478 0.481 0.857 0.714 CA 0.963 Z: 9 6.157 1.475 0.527 0.497 0.875 0.625 N 1.108 Z: 10 15.238 1.888 0.762 0.897 1.000 0.889 CB 1.093 10 residues pruned to eliminate duplicates Z: 7 5.532 1.506 0.332 0.732 0.833 0.667 CA 1.097 7 residues pruned to eliminate duplicates Z: 40 20.070 1.808 0.729 0.472 0.872 0.410 CB 1.213 86 residues pruned to eliminate duplicates Z: 7 9.904 1.828 0.532 0.824 1.000 0.667 CA 1.091 7 residues pruned to eliminate duplicates Z: 8 9.747 1.816 0.724 0.886 0.857 0.714 CA 0.990 8 residues pruned to eliminate duplicates Z: 7 8.008 1.897 0.288 0.681 0.833 0.833 CA 1.360 7 residues pruned to eliminate duplicates Z: 12 13.419 1.842 0.479 0.834 0.818 0.455 CA 1.361 12 residues pruned to eliminate duplicates Z: 6 5.203 1.736 0.238 0.633 0.800 0.400 CA 1.194 6 residues pruned to eliminate duplicates Z: 12 17.925 2.011 0.389 0.859 1.000 0.818 CA 1.423 12 residues pruned to eliminate duplicates Z: 8 6.698 1.626 0.680 0.734 0.714 0.714 CB 1.052 8 residues pruned to eliminate duplicates Z: 12 7.702 1.600 0.269 0.796 1.000 0.636 CB 0.883 12 residues pruned to eliminate duplicates Z: 7 4.346 1.647 0.239 0.257 0.833 0.667 CB 1.377 7 residues pruned to eliminate duplicates Z: 13 20.585 1.920 0.720 0.907 1.000 0.833 CA 1.279 13 residues pruned to eliminate duplicates Z: 15 17.984 1.785 0.807 0.788 0.929 0.643 CA 1.245 15 residues pruned to eliminate duplicates Z: 12 10.987 1.756 0.587 0.735 0.727 0.364 CB 1.323 12 residues pruned to eliminate duplicates Z: 14 10.685 1.787 0.401 0.490 0.923 0.692 CB 1.295 14 residues pruned to eliminate duplicates Z: 13 11.943 1.798 0.629 0.651 0.917 0.750 CA 1.116 14 residues pruned to eliminate duplicates Z: 12 20.454 2.034 0.737 0.889 0.909 0.545 CB 1.383 12 residues pruned to eliminate duplicates Z: 6 7.014 1.653 0.612 0.818 1.000 0.800 CA 0.894 6 residues pruned to eliminate duplicates Z: 15 8.671 1.803 0.299 0.516 0.857 0.429 CA 1.136 15 residues pruned to eliminate duplicates Z: 7 4.859 1.464 0.460 0.544 1.000 0.833 CB 0.889 Z: 9 10.874 1.937 0.189 0.886 1.000 1.000 CA 1.204 9 residues pruned to eliminate duplicates Z: 7 4.385 1.545 -0.237 0.783 1.000 0.667 N 1.184 6 1.886 1.356 -0.052 0.491 0.800 0.600 CB 0.828 ? Z: 6 9.311 1.957 0.784 0.769 0.800 0.800 CA 1.175 6 residues pruned to eliminate duplicates Z: 10 6.474 1.473 0.727 0.757 0.889 0.778 CB 0.760 10 residues pruned to eliminate duplicates Z: 25 12.741 1.819 0.563 0.421 0.833 0.500 CA 1.192 25 residues pruned to eliminate duplicates Z: 6 8.714 1.710 0.503 0.810 1.000 0.800 CB 1.157 Z: 7 7.068 1.821 0.607 0.354 0.833 0.500 CA 1.386 7 residues pruned to eliminate duplicates Z: 8 7.422 1.920 0.297 0.632 0.714 0.286 CA 1.393 8 residues pruned to eliminate duplicates Z: 15 22.389 1.804 0.827 0.912 1.000 0.786 CB 1.286 15 residues pruned to eliminate duplicates Z: 11 3.954 1.647 0.621 0.356 0.700 0.400 CB 0.782 10 residues pruned to eliminate duplicates Z: 11 3.774 1.325 0.244 0.391 0.900 0.500 CB 0.902 Z: 17 22.841 1.886 0.992 0.918 0.938 0.562 CA 1.144 17 residues pruned to eliminate duplicates Z: 31 19.194 1.878 0.510 0.529 0.867 0.567 CB 1.385 31 residues pruned to eliminate duplicates Z: 15 8.432 1.824 0.398 0.394 0.857 0.571 CB 1.154 15 residues pruned to eliminate duplicates Z: 12 7.495 1.601 0.490 0.337 1.000 0.455 CB 1.133 12 residues pruned to eliminate duplicates Z: 20 13.920 1.770 0.695 0.343 0.842 0.579 CA 1.499 20 residues pruned to eliminate duplicates Z: 54 31.318 2.053 0.611 0.578 0.906 0.623 CB 1.332 54 residues pruned to eliminate duplicates Z: 19 18.443 1.910 0.513 0.727 0.944 0.778 CA 1.297 19 residues pruned to eliminate duplicates Z: 14 21.558 1.859 0.859 0.927 0.923 0.538 CA 1.314 Z: 14 10.016 1.656 0.570 0.417 0.923 0.462 CA 1.262 Z: 7 5.248 1.453 0.288 0.571 1.000 0.833 CB 1.069 Z: 30 17.742 1.888 0.548 0.547 0.897 0.448 CB 1.201 30 residues pruned to eliminate duplicates Z: 15 12.881 1.908 0.586 0.349 0.929 0.714 CA 1.443 17 residues pruned to eliminate duplicates Z: 9 16.248 2.050 0.594 0.916 1.000 0.875 CB 1.242 9 residues pruned to eliminate duplicates Z: 15 20.775 1.964 0.485 0.867 1.000 0.714 CA 1.393 15 residues pruned to eliminate duplicates Z: 15 32.500 2.091 0.887 0.894 1.000 0.429 CA 1.579 15 residues pruned to eliminate duplicates Z: 12 15.602 1.799 0.488 0.867 1.000 0.727 CB 1.286 12 residues pruned to eliminate duplicates Z: 42 28.914 2.015 0.765 0.496 0.927 0.561 CB 1.376 42 residues pruned to eliminate duplicates Z: 21 13.283 1.705 0.700 0.518 0.950 0.600 CB 1.060 21 residues pruned to eliminate duplicates Z: 7 3.342 1.432 0.230 0.505 0.833 0.167 CB 0.925 7 residues pruned to eliminate duplicates Z: 6 7.379 1.586 0.617 0.786 1.000 1.000 CB 1.001 6 residues pruned to eliminate duplicates Z: 7 2.735 1.452 0.122 0.376 0.833 0.333 N 0.939 Z: 29 15.734 1.787 0.544 0.493 0.857 0.536 CB 1.266 29 residues pruned to eliminate duplicates Z: 6 2.060 1.563 0.450 0.298 0.600 0.400 N 0.849 Z: 6 2.313 1.339 -0.101 0.495 1.000 0.400 C 0.863 Z: 14 10.494 1.743 0.455 0.540 1.000 0.462 CA 1.103 14 residues pruned to eliminate duplicates Z: 7 12.235 1.944 0.659 0.719 1.000 0.833 CA 1.271 6 residues pruned to eliminate duplicates Z: 24 19.178 1.974 0.400 0.596 0.913 0.696 CB 1.446 24 residues pruned to eliminate duplicates 6 1.808 1.336 0.466 0.321 0.600 0.400 CB 0.838 ? Z: 9 8.629 1.691 0.460 0.910 1.000 1.000 CB 0.876 9 residues pruned to eliminate duplicates Z: 8 4.786 1.797 0.070 0.776 0.714 0.429 CB 1.032 8 residues pruned to eliminate duplicates Z: 51 28.875 1.919 0.448 0.622 0.940 0.580 CA 1.393 58 residues pruned to eliminate duplicates Z: 9 10.783 1.914 0.488 0.802 0.875 0.750 CB 1.175 9 residues pruned to eliminate duplicates Z: 122 48.336 1.966 0.671 0.535 0.917 0.628 CB 1.409 150 residues pruned to eliminate duplicates Z: 14 14.188 1.924 0.159 0.868 1.000 0.615 CA 1.291 14 residues pruned to eliminate duplicates Z: 8 3.465 1.543 -0.096 0.730 1.000 1.000 CB 0.763 6 1.454 1.346 0.302 0.697 0.600 0.200 CB 0.517 ? Z: 22 18.484 1.887 0.619 0.583 0.905 0.762 CA 1.348 Z: 12 19.319 2.165 0.681 0.937 1.000 0.636 CB 1.113 12 residues pruned to eliminate duplicates Z: 12 8.947 1.576 0.230 0.881 1.000 0.727 CB 1.007 12 residues pruned to eliminate duplicates Z: 24 14.804 1.887 0.345 0.521 0.870 0.783 CB 1.370 24 residues pruned to eliminate duplicates Z: 49 19.926 1.792 0.509 0.449 0.854 0.562 CB 1.312 71 residues pruned to eliminate duplicates Z: 13 20.858 1.956 0.610 0.922 1.000 0.583 CB 1.345 13 residues pruned to eliminate duplicates Z: 30 23.414 1.908 0.658 0.518 1.000 0.655 CA 1.350 30 residues pruned to eliminate duplicates Z: 17 22.189 1.985 0.760 0.913 0.938 0.500 CA 1.199 17 residues pruned to eliminate duplicates Z: 8 8.336 1.709 0.408 0.737 0.857 0.714 CA 1.236 8 residues pruned to eliminate duplicates Z: 11 5.606 1.881 0.254 0.422 0.700 0.500 CB 1.164 11 residues pruned to eliminate duplicates Z: 7 3.684 1.837 -0.087 0.438 0.667 0.667 CB 1.434 7 residues pruned to eliminate duplicates Z: 11 11.994 1.779 0.375 0.852 1.000 0.700 CB 1.147 11 residues pruned to eliminate duplicates Z: 18 19.433 1.920 0.637 0.724 0.941 0.765 CB 1.302 Z: 7 4.648 1.703 0.625 0.613 0.833 0.667 CA 0.739 7 residues pruned to eliminate duplicates Z: 37 23.423 1.979 0.608 0.518 0.889 0.611 CA 1.356 37 residues pruned to eliminate duplicates Z: 9 5.233 1.485 0.600 0.329 0.875 0.625 CB 1.074 Z: 24 20.884 1.859 0.649 0.632 0.913 0.783 CA 1.375 24 residues pruned to eliminate duplicates Z: 6 5.381 1.511 0.202 0.745 1.000 0.800 CB 1.064 6 residues pruned to eliminate duplicates Z: 12 11.109 1.615 0.724 0.413 1.000 0.636 CA 1.317 12 residues pruned to eliminate duplicates Z: 11 6.337 1.614 0.584 0.454 0.700 0.300 CA 1.175 Z: 13 5.803 1.845 0.386 0.251 0.833 0.417 CB 1.047 13 residues pruned to eliminate duplicates Z: 7 9.872 1.714 0.651 0.661 1.000 0.667 N 1.227 6 residues pruned to eliminate duplicates Z: 6 4.788 1.577 0.070 0.550 1.000 0.800 CB 1.209 6 residues pruned to eliminate duplicates Z: 9 4.044 1.505 0.288 0.371 0.875 0.375 CB 0.968 7 residues pruned to eliminate duplicates Z: 10 15.605 1.946 1.004 0.429 1.000 0.667 CB 1.435 10 residues pruned to eliminate duplicates Z: 41 31.432 1.959 0.769 0.591 0.900 0.525 CB 1.460 41 residues pruned to eliminate duplicates Z: 7 15.776 2.074 0.753 0.655 1.000 0.667 CB 1.533 7 residues pruned to eliminate duplicates Z: 7 7.314 1.683 0.785 0.499 0.833 0.667 CB 1.194 7 residues pruned to eliminate duplicates Z: 10 19.111 1.976 1.011 0.865 1.000 0.889 CA 1.174 10 residues pruned to eliminate duplicates Z: 11 7.271 1.651 0.560 0.416 0.800 0.800 O 1.218 11 residues pruned to eliminate duplicates Z: 16 19.022 2.023 0.356 0.814 0.933 0.800 CB 1.460 16 residues pruned to eliminate duplicates 6 1.750 1.507 0.020 0.512 0.800 0.400 CB 0.629 ? Z: 48 37.206 2.044 0.713 0.613 0.957 0.617 CB 1.454 48 residues pruned to eliminate duplicates Z: 7 8.036 1.499 0.470 0.832 1.000 0.833 CA 1.118 7 residues pruned to eliminate duplicates 6 1.641 1.340 0.239 0.319 0.600 0.400 CB 0.898 ? Z: 18 14.946 1.859 0.670 0.517 0.941 0.765 CA 1.220 18 residues pruned to eliminate duplicates Z: 6 6.533 1.695 0.349 0.692 1.000 1.000 N 1.072 Z: 23 12.646 1.719 0.599 0.428 0.773 0.318 CB 1.368 45 residues pruned to eliminate duplicates Z: 15 13.432 1.590 0.529 0.796 0.929 0.643 CB 1.227 15 residues pruned to eliminate duplicates Z: 6 2.446 1.506 0.477 0.324 0.800 0.400 N 0.746 Z: 8 2.966 1.258 0.284 0.350 0.857 0.571 O 0.953 7 residues pruned to eliminate duplicates Z: 18 12.233 1.709 0.460 0.435 1.000 0.471 CA 1.273 17 residues pruned to eliminate duplicates Z: 32 14.642 1.781 0.730 0.457 0.742 0.419 CB 1.203 32 residues pruned to eliminate duplicates Z: 6 4.345 1.549 0.211 0.849 1.000 0.600 CB 0.768 6 residues pruned to eliminate duplicates Z: 13 22.725 1.883 0.951 0.927 1.000 0.917 CA 1.252 Z: 12 9.270 1.616 0.812 0.355 1.000 0.636 CA 1.117 12 residues pruned to eliminate duplicates Z: 15 8.324 1.626 0.695 0.366 0.857 0.500 CB 1.087 15 residues pruned to eliminate duplicates Z: 8 12.961 1.971 0.685 0.710 0.857 0.571 CB 1.422 8 residues pruned to eliminate duplicates Z: 12 8.613 1.789 0.752 0.388 0.818 0.636 CB 1.140 Z: 6 2.045 1.453 -0.181 0.461 0.800 0.400 C 1.000 Z: 7 7.326 1.613 0.265 0.846 1.000 0.333 CA 1.089 7 residues pruned to eliminate duplicates Z: 18 12.651 1.868 0.542 0.575 0.824 0.529 CB 1.204 18 residues pruned to eliminate duplicates Z: 13 7.776 1.805 0.576 0.304 0.833 0.583 CA 1.178 13 residues pruned to eliminate duplicates Z: 7 3.576 1.657 0.331 0.357 0.833 0.667 CA 0.928 Z: 6 6.443 1.697 0.414 0.696 0.800 0.400 N 1.255 6 residues pruned to eliminate duplicates Z: 15 6.173 1.545 0.605 0.740 0.857 0.500 CB 0.626 10 residues pruned to eliminate duplicates Z: 53 27.764 1.935 0.522 0.522 0.923 0.615 CB 1.386 53 residues pruned to eliminate duplicates Z: 15 19.161 1.832 0.713 0.861 0.929 0.571 CB 1.291 15 residues pruned to eliminate duplicates Z: 7 7.765 1.769 0.388 0.875 1.000 0.667 CB 0.939 7 residues pruned to eliminate duplicates Z: 14 12.667 1.561 0.475 0.912 1.000 0.846 CB 1.080 14 residues pruned to eliminate duplicates Z: 11 10.013 1.744 0.411 0.553 0.900 0.800 CA 1.358 11 residues pruned to eliminate duplicates Z: 11 10.469 1.799 0.429 0.579 0.900 0.700 CA 1.325 11 residues pruned to eliminate duplicates Z: 7 2.298 1.377 0.415 0.083 0.667 0.333 C 1.237 6 0.939 1.124 0.771 0.100 0.600 0.400 CB 0.586 ? Z: 50 19.673 1.880 0.250 0.532 0.857 0.612 CB 1.351 42 residues pruned to eliminate duplicates Z: 7 3.011 1.547 0.688 0.443 0.833 0.667 CB 0.599 7 residues pruned to eliminate duplicates Z: 16 12.511 1.919 0.571 0.414 1.000 0.400 CA 1.172 16 residues pruned to eliminate duplicates Z: 29 20.677 1.906 0.546 0.539 0.964 0.571 CB 1.324 29 residues pruned to eliminate duplicates Z: 7 3.009 1.584 0.344 0.647 0.833 0.500 CB 0.604 7 residues pruned to eliminate duplicates Z: 10 4.192 1.570 0.443 0.488 0.778 0.667 CB 0.802 10 residues pruned to eliminate duplicates Z: 20 15.077 1.887 0.486 0.707 0.947 0.737 CB 1.078 20 residues pruned to eliminate duplicates Z: 8 7.575 1.697 0.860 0.874 0.714 0.571 CB 0.924 8 residues pruned to eliminate duplicates Z: 8 11.729 1.713 0.558 0.829 1.000 0.857 CA 1.250 8 residues pruned to eliminate duplicates Z: 11 4.364 1.649 0.291 0.341 0.700 0.400 CB 1.100 11 residues pruned to eliminate duplicates Z: 14 13.048 2.044 0.463 0.560 0.923 0.462 CA 1.237 14 residues pruned to eliminate duplicates Z: 16 12.745 1.684 0.653 0.568 0.867 0.600 CB 1.278 16 residues pruned to eliminate duplicates Z: 7 4.447 1.802 0.513 0.568 0.667 0.667 CB 0.935 7 residues pruned to eliminate duplicates Z: 10 4.478 1.773 0.217 0.329 0.667 0.667 CB 1.251 10 residues pruned to eliminate duplicates Z: 9 4.818 1.520 0.115 0.509 1.000 0.375 CB 0.996 Z: 60 39.123 2.047 0.633 0.619 0.949 0.475 CB 1.435 78 residues pruned to eliminate duplicates Z: 18 26.671 2.120 0.984 0.646 0.824 0.294 CA 1.630 18 residues pruned to eliminate duplicates Z: 9 7.342 1.602 0.653 0.878 1.000 1.000 CB 0.711 9 residues pruned to eliminate duplicates Z: 6 9.326 1.791 0.314 0.842 1.000 1.000 CA 1.320 6 residues pruned to eliminate duplicates Z: 30 18.174 1.783 0.584 0.452 0.931 0.483 CB 1.347 30 residues pruned to eliminate duplicates Z: 9 4.638 1.688 0.600 0.575 0.625 0.125 CB 0.904 9 residues pruned to eliminate duplicates Z: 12 13.913 1.779 0.298 0.871 1.000 0.818 CB 1.325 12 residues pruned to eliminate duplicates Z: 6 3.413 1.310 0.246 0.393 1.000 0.400 CA 1.047 Z: 66 30.156 1.918 0.642 0.559 0.846 0.646 CB 1.325 66 residues pruned to eliminate duplicates Z: 11 12.308 1.602 0.508 0.874 1.000 0.900 CB 1.172 11 residues pruned to eliminate duplicates Z: 50 30.032 1.976 0.411 0.623 0.980 0.735 CB 1.399 50 residues pruned to eliminate duplicates Z: 11 8.204 1.812 0.150 0.532 1.000 0.500 CA 1.206 11 residues pruned to eliminate duplicates Z: 13 15.668 1.890 0.589 0.908 1.000 0.917 CA 1.070 13 residues pruned to eliminate duplicates Z: 53 30.436 1.952 0.486 0.543 0.942 0.731 CB 1.480 53 residues pruned to eliminate duplicates Z: 14 17.023 1.724 0.494 0.841 1.000 0.692 CA 1.367 14 residues pruned to eliminate duplicates Z: 22 17.239 2.013 0.636 0.560 0.810 0.667 CB 1.331 22 residues pruned to eliminate duplicates Z: 6 4.375 1.467 0.650 0.458 0.800 0.600 C 1.055 Z: 7 3.444 1.558 -0.050 0.547 0.833 0.833 CB 1.088 Z: 8 7.974 1.843 0.501 0.764 0.857 0.857 CB 1.005 8 residues pruned to eliminate duplicates Z: 12 10.822 1.815 0.729 0.350 0.818 0.545 CA 1.494 12 residues pruned to eliminate duplicates Z: 15 20.022 1.844 0.652 0.804 1.000 0.643 CA 1.347 15 residues pruned to eliminate duplicates Z: 7 3.020 1.506 -0.041 0.363 1.000 0.833 CB 0.989 Z: 33 13.792 1.800 0.404 0.466 0.844 0.594 CB 1.184 33 residues pruned to eliminate duplicates Z: 36 21.109 1.930 0.472 0.449 0.914 0.514 CA 1.447 36 residues pruned to eliminate duplicates Z: 6 7.036 1.664 0.941 0.631 1.000 0.800 CA 0.861 6 residues pruned to eliminate duplicates Z: 29 33.806 2.075 0.992 0.589 0.893 0.321 CB 1.589 29 residues pruned to eliminate duplicates Z: 9 3.955 1.829 0.267 0.244 0.750 0.375 CB 1.081 9 residues pruned to eliminate duplicates Z: 9 3.149 1.338 0.271 0.392 0.750 0.250 N 0.979 Z: 13 13.615 1.781 0.246 0.854 1.000 0.667 CA 1.308 13 residues pruned to eliminate duplicates Z: 7 8.967 1.653 0.643 0.687 1.000 0.833 CB 1.135 Z: 60 22.040 1.808 0.345 0.544 0.898 0.627 CA 1.258 61 residues pruned to eliminate duplicates Z: 14 9.218 1.526 0.552 0.831 0.923 0.615 CB 0.878 14 residues pruned to eliminate duplicates Z: 9 4.816 1.618 1.114 0.531 0.750 0.625 CB 0.644 Z: 6 2.015 1.415 0.472 0.486 1.000 0.200 CB 0.439 Z: 61 37.373 1.973 0.730 0.586 0.933 0.550 CB 1.395 55 residues pruned to eliminate duplicates Z: 20 22.950 1.984 0.570 0.703 1.000 0.789 CA 1.405 20 residues pruned to eliminate duplicates Z: 12 18.197 1.967 0.705 0.913 0.909 0.636 CA 1.274 12 residues pruned to eliminate duplicates Z: 27 18.234 1.881 0.554 0.574 0.923 0.692 CB 1.234 27 residues pruned to eliminate duplicates Z: 31 18.868 1.777 0.535 0.506 0.967 0.733 CB 1.299 31 residues pruned to eliminate duplicates Z: 13 11.304 1.657 0.490 0.805 1.000 0.667 CB 1.013 13 residues pruned to eliminate duplicates Z: 9 8.311 1.632 0.369 0.807 1.000 0.750 CA 1.006 7 residues pruned to eliminate duplicates Z: 25 22.696 1.968 0.534 0.621 1.000 0.625 CB 1.370 Z: 47 28.082 1.920 0.603 0.528 0.913 0.587 CA 1.432 47 residues pruned to eliminate duplicates Z: 25 14.849 1.893 0.473 0.391 0.875 0.500 CB 1.394 25 residues pruned to eliminate duplicates Z: 36 30.610 2.018 0.571 0.674 0.943 0.657 CB 1.475 24 residues pruned to eliminate duplicates Z: 9 4.650 1.483 0.088 0.513 0.875 0.500 CB 1.150 6 residues pruned to eliminate duplicates Z: 6 8.529 1.780 1.086 0.847 0.800 0.600 CA 0.953 6 residues pruned to eliminate duplicates Z: 10 11.122 1.796 0.796 0.397 1.000 0.444 CA 1.282 10 residues pruned to eliminate duplicates Z: 18 12.551 1.744 0.328 0.645 0.941 0.529 CA 1.220 14 residues pruned to eliminate duplicates Z: 10 10.303 1.630 0.537 0.826 1.000 0.889 CB 1.034 10 residues pruned to eliminate duplicates Z: 19 10.365 1.878 0.513 0.398 0.722 0.611 CB 1.327 30 residues pruned to eliminate duplicates Z: 11 4.518 1.531 0.236 0.345 0.700 0.500 CA 1.276 11 residues pruned to eliminate duplicates Z: 6 4.173 1.614 -0.060 0.827 1.000 0.600 CB 0.927 7 residues pruned to eliminate duplicates Z: 10 13.536 1.900 0.385 0.864 1.000 0.444 CA 1.257 10 residues pruned to eliminate duplicates Z: 26 14.729 1.703 0.528 0.483 0.920 0.480 CB 1.252 26 residues pruned to eliminate duplicates Z: 10 17.974 1.868 0.700 0.893 1.000 0.889 CB 1.355 10 residues pruned to eliminate duplicates Z: 34 16.425 1.753 0.564 0.454 0.879 0.515 CB 1.243 34 residues pruned to eliminate duplicates Z: 12 16.107 1.945 0.570 0.745 0.909 0.636 CA 1.405 12 residues pruned to eliminate duplicates Z: 15 18.251 1.788 0.557 0.827 1.000 0.929 CA 1.321 15 residues pruned to eliminate duplicates Z: 17 17.762 1.893 0.480 0.906 0.875 0.750 CA 1.289 17 residues pruned to eliminate duplicates Z: 13 14.760 1.826 0.602 0.759 0.917 0.583 CA 1.261 13 residues pruned to eliminate duplicates Z: 13 10.328 1.643 0.257 0.891 1.000 0.917 CB 1.038 13 residues pruned to eliminate duplicates Z: 9 9.160 1.501 0.539 0.859 1.000 0.875 CB 1.031 8 residues pruned to eliminate duplicates Z: 7 5.323 1.571 0.070 0.559 1.000 0.667 O 1.221 7 residues pruned to eliminate duplicates Z: 8 12.974 1.998 0.586 0.794 0.857 0.429 CA 1.395 8 residues pruned to eliminate duplicates Z: 7 4.895 1.846 -0.051 0.843 0.833 0.500 CB 1.019 7 residues pruned to eliminate duplicates Z: 49 22.620 1.967 0.613 0.451 0.854 0.542 CA 1.267 62 residues pruned to eliminate duplicates Z: 18 12.373 1.737 0.324 0.654 0.941 0.471 CB 1.201 15 residues pruned to eliminate duplicates Z: 11 8.378 1.715 0.027 0.898 1.000 0.900 CB 1.076 11 residues pruned to eliminate duplicates Z: 22 20.989 1.977 0.913 0.445 0.905 0.476 CB 1.416 22 residues pruned to eliminate duplicates Z: 8 4.736 1.758 -0.147 0.741 1.000 0.571 CB 0.962 8 residues pruned to eliminate duplicates Z: 18 10.580 1.954 0.591 0.334 0.882 0.588 CB 1.121 18 residues pruned to eliminate duplicates Z: 22 15.900 1.675 0.678 0.555 0.952 0.667 CB 1.228 22 residues pruned to eliminate duplicates Z: 12 9.480 1.617 0.449 0.927 1.000 0.727 CB 0.855 12 residues pruned to eliminate duplicates Z: 56 35.611 2.012 0.609 0.569 0.982 0.655 CB 1.414 56 residues pruned to eliminate duplicates Z: 33 24.381 2.004 0.630 0.501 0.906 0.406 CA 1.454 33 residues pruned to eliminate duplicates Z: 18 13.681 1.847 0.652 0.360 0.882 0.765 CA 1.434 18 residues pruned to eliminate duplicates Z: 11 14.160 1.814 0.700 0.882 0.900 0.800 CA 1.167 11 residues pruned to eliminate duplicates Z: 6 6.197 1.615 0.620 0.611 1.000 0.600 CB 0.954 6 residues pruned to eliminate duplicates Z: 10 3.722 1.324 0.229 0.523 0.889 0.667 CB 0.838 Z: 15 6.156 1.652 0.309 0.489 0.857 0.500 CB 0.897 10 residues pruned to eliminate duplicates Z: 17 18.379 2.022 0.526 0.788 0.938 0.812 CB 1.233 17 residues pruned to eliminate duplicates Z: 63 30.756 1.983 0.593 0.504 0.871 0.581 CB 1.414 63 residues pruned to eliminate duplicates Z: 14 18.437 1.877 0.547 0.851 1.000 0.538 CA 1.304 14 residues pruned to eliminate duplicates Z: 6 8.755 1.677 0.893 0.645 0.800 0.800 N 1.346 6 residues pruned to eliminate duplicates Z: 23 15.040 1.675 0.636 0.433 0.955 0.636 CB 1.314 23 residues pruned to eliminate duplicates Z: 9 10.434 1.756 0.657 0.884 1.000 1.000 CA 0.916 9 residues pruned to eliminate duplicates Z: 20 13.020 1.722 0.411 0.563 0.947 0.895 CA 1.220 20 residues pruned to eliminate duplicates Z: 7 5.880 1.560 0.173 0.506 1.000 0.667 CA 1.304 7 residues pruned to eliminate duplicates Z: 14 9.953 1.508 0.250 0.888 1.000 0.769 CB 1.055 14 residues pruned to eliminate duplicates Z: 10 8.165 1.744 0.163 0.921 1.000 0.889 CB 0.944 10 residues pruned to eliminate duplicates Z: 49 27.971 1.951 0.515 0.638 0.917 0.729 CB 1.310 49 residues pruned to eliminate duplicates Z: 11 19.719 1.931 0.792 0.919 1.000 0.600 CA 1.270 11 residues pruned to eliminate duplicates Z: 16 21.721 2.216 0.456 0.882 0.933 0.667 CA 1.348 16 residues pruned to eliminate duplicates Z: 11 7.229 1.684 0.035 0.913 0.900 0.900 CB 1.031 11 residues pruned to eliminate duplicates Z: 8 6.994 1.771 0.338 0.772 0.857 0.571 CB 1.024 8 residues pruned to eliminate duplicates Z: 20 6.917 1.718 0.219 0.357 0.842 0.421 CB 1.049 20 residues pruned to eliminate duplicates Z: 13 17.417 1.931 0.413 0.869 0.917 0.917 CB 1.468 13 residues pruned to eliminate duplicates Z: 7 2.818 1.335 0.548 0.614 0.833 0.667 CB 0.600 7 residues pruned to eliminate duplicates Z: 20 18.303 1.946 0.723 0.490 0.842 0.421 CA 1.502 20 residues pruned to eliminate duplicates Z: 6 2.602 1.432 0.329 0.438 0.800 0.400 CA 0.815 Z: 10 9.233 1.676 0.441 0.818 1.000 0.778 CA 0.967 10 residues pruned to eliminate duplicates Z: 6 2.492 1.697 0.146 0.453 0.800 0.600 N 0.752 6 residues pruned to eliminate duplicates 6 1.095 0.949 0.187 0.296 0.800 0.400 C 0.684 ? Z: 12 5.908 1.622 0.281 0.419 0.727 0.455 N 1.282 10 residues pruned to eliminate duplicates Z: 13 10.215 1.670 0.386 0.442 1.000 0.500 CA 1.353 12 residues pruned to eliminate duplicates Z: 14 5.059 1.570 0.282 0.387 0.769 0.385 CB 1.022 Z: 11 12.129 1.786 0.548 0.861 1.000 0.900 CB 1.019 11 residues pruned to eliminate duplicates Z: 12 21.301 1.949 0.756 0.896 0.909 0.545 CB 1.478 12 residues pruned to eliminate duplicates Z: 29 26.278 1.966 0.738 0.520 1.000 0.714 CB 1.425 29 residues pruned to eliminate duplicates Z: 20 19.773 1.907 0.378 0.704 1.000 0.737 CB 1.434 20 residues pruned to eliminate duplicates Z: 31 24.020 1.859 0.753 0.587 0.900 0.567 CA 1.375 31 residues pruned to eliminate duplicates Z: 10 7.534 1.580 0.271 0.613 1.000 0.444 CA 1.124 10 residues pruned to eliminate duplicates Z: 35 23.014 1.926 0.651 0.596 0.882 0.588 CA 1.284 35 residues pruned to eliminate duplicates Z: 14 13.884 1.699 0.640 0.694 0.846 0.538 CB 1.368 14 residues pruned to eliminate duplicates Z: 37 27.738 2.051 0.664 0.538 0.944 0.528 CB 1.382 43 residues pruned to eliminate duplicates Z: 45 31.348 2.029 0.813 0.543 0.932 0.591 CB 1.322 45 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 12.761 1.889 0.412 0.448 0.824 0.706 CB 1.487 18 residues pruned to eliminate duplicates Z: 19 11.984 1.821 0.317 0.456 0.889 0.500 CB 1.385 19 residues pruned to eliminate duplicates Z: 10 7.234 1.848 0.089 0.545 0.889 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 13 7.653 1.722 0.362 0.483 0.833 0.500 CB 1.149 13 residues pruned to eliminate duplicates Z: 12 7.916 1.786 0.242 0.587 0.818 0.364 CB 1.210 12 residues pruned to eliminate duplicates Z: 25 10.843 1.767 0.363 0.383 0.833 0.625 CB 1.250 25 residues pruned to eliminate duplicates Z: 21 12.700 1.762 0.420 0.377 0.900 0.600 CB 1.437 21 residues pruned to eliminate duplicates Z: 25 11.816 1.726 0.286 0.433 0.875 0.667 CB 1.331 25 residues pruned to eliminate duplicates Z: 23 13.585 1.787 0.417 0.411 0.909 0.591 CB 1.380 23 residues pruned to eliminate duplicates Z: 19 13.728 1.820 0.511 0.438 0.889 0.611 CB 1.411 19 residues pruned to eliminate duplicates Z: 16 10.655 1.744 0.396 0.434 0.933 0.733 CB 1.297 16 residues pruned to eliminate duplicates Z: 58 24.211 1.951 0.480 0.533 0.842 0.579 CB 1.278 86 residues pruned to eliminate duplicates Z: 70 26.405 1.904 0.482 0.515 0.884 0.623 CB 1.256 70 residues pruned to eliminate duplicates Z: 11 7.174 1.733 0.636 0.322 0.800 0.600 CB 1.217 Z: 6 3.488 1.643 0.364 0.454 0.800 0.800 CB 0.912 Z: 7 2.171 1.169 0.303 0.386 1.000 0.667 CA 0.657 Z: 10 7.470 1.671 0.294 0.680 1.000 0.778 CA 0.976 10 residues pruned to eliminate duplicates Z: 25 16.806 1.847 0.880 0.443 0.792 0.417 CB 1.324 26 residues pruned to eliminate duplicates Z: 8 11.343 1.929 0.256 0.829 1.000 0.857 CB 1.331 8 residues pruned to eliminate duplicates Z: 8 12.588 1.883 0.586 0.739 1.000 0.429 CA 1.286 8 residues pruned to eliminate duplicates Z: 9 8.528 1.763 0.365 0.664 0.875 0.500 CA 1.230 9 residues pruned to eliminate duplicates Z: 16 8.052 1.884 0.360 0.382 0.800 0.533 CA 1.150 23 residues pruned to eliminate duplicates Z: 9 12.087 1.882 0.291 0.848 1.000 1.000 CB 1.306 9 residues pruned to eliminate duplicates Z: 18 10.262 1.708 0.417 0.429 0.941 0.588 CA 1.176 18 residues pruned to eliminate duplicates Z: 33 15.511 1.847 0.355 0.471 0.938 0.625 CA 1.203 34 residues pruned to eliminate duplicates Z: 7 8.402 1.744 0.876 0.727 0.833 0.333 CA 1.025 7 residues pruned to eliminate duplicates Z: 6 11.573 1.975 0.987 0.628 0.800 0.600 CA 1.462 6 residues pruned to eliminate duplicates Z: 15 12.847 1.870 0.535 0.465 0.929 0.429 CA 1.335 15 residues pruned to eliminate duplicates Z: 23 14.777 1.775 0.508 0.470 0.909 0.545 CB 1.335 22 residues pruned to eliminate duplicates Z: 8 8.127 1.644 0.648 0.579 1.000 0.714 N 1.050 8 residues pruned to eliminate duplicates Z: 53 27.801 1.926 0.579 0.511 0.904 0.500 CB 1.388 53 residues pruned to eliminate duplicates Z: 22 17.349 1.985 0.580 0.529 0.905 0.619 CB 1.297 22 residues pruned to eliminate duplicates Z: 35 25.352 1.999 0.652 0.530 0.882 0.441 CA 1.449 35 residues pruned to eliminate duplicates Z: 31 23.561 2.013 0.672 0.609 0.900 0.667 CA 1.281 31 residues pruned to eliminate duplicates Z: 19 20.145 2.005 0.569 0.637 1.000 0.667 CA 1.327 19 residues pruned to eliminate duplicates Z: 33 20.557 1.911 0.664 0.472 0.906 0.656 CA 1.298 33 residues pruned to eliminate duplicates Z: 30 18.172 1.924 0.497 0.543 0.931 0.690 CA 1.207 30 residues pruned to eliminate duplicates Z: 44 17.498 1.775 0.446 0.480 0.884 0.512 CA 1.200 61 residues pruned to eliminate duplicates Z: 33 20.081 1.937 0.455 0.522 0.938 0.656 CA 1.314 33 residues pruned to eliminate duplicates Z: 34 17.017 1.933 0.412 0.448 0.879 0.545 CA 1.302 34 residues pruned to eliminate duplicates Z: 20 17.429 1.910 0.636 0.635 0.947 0.632 CA 1.190 20 residues pruned to eliminate duplicates Z: 51 26.008 1.878 0.676 0.500 0.880 0.460 CB 1.327 51 residues pruned to eliminate duplicates Z: 20 15.764 1.963 0.464 0.576 0.895 0.579 CA 1.307 20 residues pruned to eliminate duplicates Z: 20 15.930 1.908 0.688 0.571 0.895 0.368 CB 1.184 20 residues pruned to eliminate duplicates Z: 51 33.533 1.971 0.782 0.567 0.920 0.560 CB 1.375 51 residues pruned to eliminate duplicates Z: 9 5.843 2.003 0.625 0.381 0.625 0.500 CB 1.153 9 residues pruned to eliminate duplicates Z: 34 27.529 2.044 0.778 0.578 0.909 0.545 CB 1.346 34 residues pruned to eliminate duplicates Z: 26 16.221 1.978 0.620 0.461 0.840 0.480 CB 1.254 26 residues pruned to eliminate duplicates Z: 25 20.527 2.035 0.622 0.478 0.875 0.375 CB 1.484 25 residues pruned to eliminate duplicates Z: 26 20.131 2.030 0.577 0.491 0.840 0.480 CB 1.511 26 residues pruned to eliminate duplicates Z: 21 23.608 2.062 0.642 0.533 0.950 0.550 CB 1.589 21 residues pruned to eliminate duplicates Z: 63 30.066 1.972 0.654 0.419 0.903 0.468 CB 1.411 63 residues pruned to eliminate duplicates Z: 24 18.585 1.984 0.433 0.523 0.913 0.435 CB 1.460 24 residues pruned to eliminate duplicates Z: 66 31.053 1.926 0.731 0.450 0.877 0.600 CA 1.387 66 residues pruned to eliminate duplicates Z: 22 16.333 1.941 0.523 0.530 0.810 0.524 CB 1.445 22 residues pruned to eliminate duplicates Z: 60 32.888 1.950 0.735 0.478 0.898 0.559 CA 1.441 60 residues pruned to eliminate duplicates Z: 38 22.524 1.960 0.540 0.454 0.865 0.568 CA 1.488 38 residues pruned to eliminate duplicates Z: 34 25.867 2.054 0.651 0.570 0.879 0.606 CA 1.412 34 residues pruned to eliminate duplicates Z: 33 25.985 2.012 0.769 0.458 0.938 0.594 CA 1.436 33 residues pruned to eliminate duplicates Z: 37 25.790 1.993 0.793 0.483 0.861 0.611 CA 1.422 37 residues pruned to eliminate duplicates Z: 31 21.508 1.939 0.707 0.451 0.900 0.633 CA 1.386 31 residues pruned to eliminate duplicates Z: 36 27.348 1.999 0.675 0.494 0.914 0.629 CA 1.519 36 residues pruned to eliminate duplicates Z: 36 25.265 1.988 0.696 0.466 0.914 0.571 CB 1.434 36 residues pruned to eliminate duplicates Z: 40 25.001 1.954 0.683 0.456 0.923 0.692 CA 1.379 40 residues pruned to eliminate duplicates Z: 34 22.282 1.977 0.516 0.456 0.970 0.697 CA 1.396 34 residues pruned to eliminate duplicates Z: 47 31.123 2.026 0.734 0.523 0.913 0.652 CA 1.399 47 residues pruned to eliminate duplicates Z: 38 23.066 1.966 0.591 0.461 0.892 0.622 CA 1.414 38 residues pruned to eliminate duplicates Z: 16 14.506 1.803 0.792 0.354 0.933 0.667 CB 1.454 16 residues pruned to eliminate duplicates Z: 62 33.821 1.969 0.724 0.511 0.902 0.623 CA 1.400 62 residues pruned to eliminate duplicates Z: 31 15.918 1.848 0.625 0.293 0.833 0.433 CB 1.465 31 residues pruned to eliminate duplicates Z: 15 14.101 1.890 0.592 0.304 1.000 0.857 CA 1.558 15 residues pruned to eliminate duplicates Z: 16 15.744 1.891 0.644 0.369 0.933 0.600 CA 1.612 16 residues pruned to eliminate duplicates Z: 37 23.685 1.987 0.558 0.426 0.917 0.500 CB 1.502 37 residues pruned to eliminate duplicates Z: 16 15.055 1.824 0.692 0.369 1.000 0.667 CB 1.449 16 residues pruned to eliminate duplicates Z: 34 23.454 1.971 0.609 0.457 0.909 0.636 CA 1.480 34 residues pruned to eliminate duplicates Z: 14 16.202 1.970 0.728 0.353 1.000 0.769 CA 1.547 14 residues pruned to eliminate duplicates Z: 16 12.685 1.874 0.607 0.262 0.933 0.600 CA 1.529 16 residues pruned to eliminate duplicates Z: 34 23.961 1.941 0.731 0.447 0.879 0.636 CA 1.492 34 residues pruned to eliminate duplicates Z: 14 13.465 1.642 0.707 0.815 0.923 0.769 CB 1.098 15 residues pruned to eliminate duplicates Z: 14 10.415 1.579 0.356 0.812 0.923 0.769 CA 1.114 14 residues pruned to eliminate duplicates Z: 20 12.096 1.728 0.779 0.647 0.842 0.474 CB 0.935 20 residues pruned to eliminate duplicates Z: 14 9.606 1.598 0.515 0.745 0.923 0.923 CB 0.958 14 residues pruned to eliminate duplicates Z: 12 14.048 1.746 0.666 0.888 0.909 0.818 CB 1.154 12 residues pruned to eliminate duplicates Z: 15 11.830 1.654 0.563 0.685 1.000 0.643 CA 1.032 15 residues pruned to eliminate duplicates Z: 14 9.404 1.712 0.296 0.668 0.923 0.692 CB 1.091 14 residues pruned to eliminate duplicates Z: 14 11.481 1.708 0.360 0.803 1.000 0.692 CB 1.052 14 residues pruned to eliminate duplicates Z: 20 11.015 1.727 0.535 0.644 0.842 0.632 CB 0.989 20 residues pruned to eliminate duplicates Z: 30 16.357 1.741 0.477 0.564 0.897 0.552 CB 1.239 37 residues pruned to eliminate duplicates Z: 12 13.218 1.665 0.655 0.887 1.000 0.818 CB 1.043 12 residues pruned to eliminate duplicates Z: 20 11.014 1.747 0.789 0.648 0.789 0.474 CB 0.892 20 residues pruned to eliminate duplicates Z: 33 19.655 1.798 0.464 0.539 0.938 0.594 CB 1.355 38 residues pruned to eliminate duplicates Z: 8 7.974 1.696 0.443 0.586 0.857 0.429 CA 1.323 8 residues pruned to eliminate duplicates Z: 16 10.120 1.734 0.331 0.407 0.867 0.533 CB 1.441 16 residues pruned to eliminate duplicates Z: 13 12.501 1.844 0.627 0.375 0.917 0.583 CA 1.500 13 residues pruned to eliminate duplicates Z: 14 12.705 1.818 0.590 0.414 1.000 0.462 CA 1.334 14 residues pruned to eliminate duplicates Z: 13 12.976 1.883 0.483 0.396 1.000 0.500 CA 1.498 13 residues pruned to eliminate duplicates Z: 22 10.553 1.729 0.277 0.349 0.952 0.476 CA 1.290 22 residues pruned to eliminate duplicates Z: 19 10.807 1.743 0.372 0.304 0.944 0.500 CB 1.402 19 residues pruned to eliminate duplicates Z: 16 9.985 1.759 0.530 0.319 0.800 0.533 N 1.463 16 residues pruned to eliminate duplicates Z: 15 8.147 1.727 0.368 0.335 0.786 0.357 CA 1.405 15 residues pruned to eliminate duplicates Z: 14 11.633 1.773 0.435 0.422 1.000 0.462 CA 1.376 14 residues pruned to eliminate duplicates Z: 8 6.984 1.763 0.684 0.457 0.857 0.571 CB 1.084 9 residues pruned to eliminate duplicates Z: 9 10.512 1.896 0.261 0.607 1.000 0.875 CA 1.404 9 residues pruned to eliminate duplicates Z: 27 16.288 1.846 0.364 0.574 0.885 0.731 CB 1.335 27 residues pruned to eliminate duplicates Z: 14 9.324 1.864 0.433 0.388 0.769 0.462 CA 1.417 14 residues pruned to eliminate duplicates Z: 38 20.908 1.904 0.467 0.620 0.865 0.595 CB 1.270 38 residues pruned to eliminate duplicates Z: 27 19.691 1.915 0.552 0.588 0.885 0.577 CB 1.350 27 residues pruned to eliminate duplicates Z: 34 27.181 2.091 0.545 0.540 0.909 0.545 CB 1.549 34 residues pruned to eliminate duplicates Z: 54 35.017 2.060 0.609 0.578 0.962 0.660 CB 1.399 54 residues pruned to eliminate duplicates Z: 7 4.479 1.950 0.563 0.242 0.833 0.500 CA 0.970 7 residues pruned to eliminate duplicates Z: 24 24.249 2.028 0.604 0.632 1.000 0.783 CA 1.373 24 residues pruned to eliminate duplicates Z: 38 24.669 2.039 0.598 0.481 0.919 0.541 CB 1.381 38 residues pruned to eliminate duplicates Z: 29 19.845 2.059 0.483 0.513 0.929 0.607 CB 1.306 29 residues pruned to eliminate duplicates Z: 20 20.890 2.086 0.568 0.654 0.895 0.579 CA 1.419 20 residues pruned to eliminate duplicates Z: 57 22.595 1.915 0.478 0.479 0.893 0.607 CB 1.220 57 residues pruned to eliminate duplicates Z: 52 34.363 2.103 0.609 0.575 0.961 0.608 CB 1.376 52 residues pruned to eliminate duplicates Z: 61 30.847 2.029 0.696 0.538 0.883 0.583 CB 1.262 61 residues pruned to eliminate duplicates Z: 19 21.177 2.096 0.524 0.586 0.944 0.444 CB 1.524 19 residues pruned to eliminate duplicates Z: 53 33.967 2.075 0.675 0.579 0.942 0.654 CB 1.333 53 residues pruned to eliminate duplicates Z: 23 28.357 2.127 0.759 0.634 1.000 0.636 CA 1.426 23 residues pruned to eliminate duplicates Z: 58 25.866 1.988 0.615 0.427 0.912 0.596 CB 1.262 58 residues pruned to eliminate duplicates Z: 18 19.036 2.092 0.507 0.606 0.882 0.765 CB 1.500 18 residues pruned to eliminate duplicates Z: 54 28.870 2.022 0.564 0.552 0.925 0.472 CB 1.290 54 residues pruned to eliminate duplicates Z: 25 18.223 2.033 0.563 0.522 0.833 0.583 CB 1.374 25 residues pruned to eliminate duplicates Z: 23 27.780 2.103 0.614 0.693 0.955 0.818 CB 1.532 23 residues pruned to eliminate duplicates Z: 28 24.593 2.110 0.691 0.575 0.852 0.704 CB 1.449 28 residues pruned to eliminate duplicates Z: 52 30.448 2.028 0.621 0.543 0.941 0.647 CB 1.321 52 residues pruned to eliminate duplicates Z: 41 25.608 1.981 0.568 0.469 0.925 0.500 CB 1.454 41 residues pruned to eliminate duplicates Z: 61 34.566 2.022 0.719 0.547 0.950 0.617 CB 1.291 61 residues pruned to eliminate duplicates Z: 57 29.122 2.019 0.639 0.547 0.911 0.536 CB 1.234 57 residues pruned to eliminate duplicates Z: 48 28.303 2.066 0.666 0.479 0.936 0.638 CB 1.309 48 residues pruned to eliminate duplicates Z: 46 22.788 1.966 0.550 0.467 0.911 0.578 CB 1.265 46 residues pruned to eliminate duplicates Z: 32 20.026 1.992 0.720 0.482 0.935 0.548 CB 1.142 32 residues pruned to eliminate duplicates Z: 37 28.461 2.089 0.750 0.516 0.917 0.528 CB 1.393 37 residues pruned to eliminate duplicates Z: 18 16.503 1.960 0.853 0.346 0.882 0.529 CB 1.478 18 residues pruned to eliminate duplicates Z: 38 28.750 2.028 0.637 0.558 0.919 0.459 CB 1.464 38 residues pruned to eliminate duplicates Z: 32 22.842 1.992 0.748 0.545 0.935 0.581 CB 1.205 32 residues pruned to eliminate duplicates Z: 28 29.701 2.086 0.774 0.528 1.000 0.556 CB 1.502 28 residues pruned to eliminate duplicates Z: 58 30.150 1.961 0.663 0.470 0.895 0.509 CA 1.410 58 residues pruned to eliminate duplicates Z: 48 24.983 1.938 0.630 0.433 0.894 0.468 CB 1.384 48 residues pruned to eliminate duplicates Z: 10 10.532 2.049 0.860 0.526 1.000 0.444 CB 0.898 10 residues pruned to eliminate duplicates Z: 19 17.755 1.998 0.632 0.756 1.000 0.778 CB 1.022 19 residues pruned to eliminate duplicates Z: 57 29.933 2.040 0.581 0.557 0.911 0.661 CB 1.289 57 residues pruned to eliminate duplicates Z: 30 15.883 1.889 0.586 0.545 0.897 0.586 CB 1.051 30 residues pruned to eliminate duplicates Z: 21 19.543 1.969 0.794 0.643 0.950 0.550 CB 1.139 21 residues pruned to eliminate duplicates Z: 28 14.753 1.921 0.534 0.532 0.889 0.481 CB 1.050 28 residues pruned to eliminate duplicates Z: 86 35.113 1.980 0.634 0.514 0.882 0.553 CB 1.315 86 residues pruned to eliminate duplicates Z: 48 28.674 1.926 0.585 0.596 0.915 0.681 CB 1.367 37 residues pruned to eliminate duplicates Z: 8 10.309 1.770 0.447 0.754 1.000 0.714 CB 1.213 8 residues pruned to eliminate duplicates Z: 13 7.249 1.494 0.495 0.488 0.833 0.500 N 1.138 9 residues pruned to eliminate duplicates Z: 7 10.002 1.754 0.318 0.807 1.000 0.833 CB 1.352 7 residues pruned to eliminate duplicates Z: 10 7.147 1.501 0.378 0.609 0.889 0.556 N 1.169 10 residues pruned to eliminate duplicates Z: 8 10.208 1.731 0.414 0.780 1.000 0.714 CB 1.231 8 residues pruned to eliminate duplicates Z: 52 24.168 1.922 0.387 0.571 0.863 0.706 CB 1.374 52 residues pruned to eliminate duplicates Z: 48 26.063 1.929 0.404 0.589 0.915 0.660 CB 1.408 48 residues pruned to eliminate duplicates Z: 41 19.175 1.804 0.541 0.466 0.850 0.500 CA 1.329 41 residues pruned to eliminate duplicates Z: 38 18.477 1.901 0.395 0.496 0.838 0.703 CB 1.373 38 residues pruned to eliminate duplicates Z: 41 22.907 1.909 0.491 0.523 0.925 0.525 CB 1.345 41 residues pruned to eliminate duplicates Z: 49 21.036 1.842 0.473 0.468 0.854 0.562 CB 1.353 49 residues pruned to eliminate duplicates Z: 40 16.440 1.886 0.311 0.489 0.769 0.590 CB 1.400 40 residues pruned to eliminate duplicates Z: 39 21.562 1.904 0.453 0.512 0.868 0.684 CB 1.438 39 residues pruned to eliminate duplicates Z: 49 26.231 1.898 0.501 0.576 0.917 0.583 CB 1.347 49 residues pruned to eliminate duplicates Z: 49 25.503 1.905 0.475 0.561 0.875 0.667 CB 1.410 49 residues pruned to eliminate duplicates Z: 40 22.261 1.914 0.385 0.498 0.949 0.538 CB 1.420 40 residues pruned to eliminate duplicates Z: 27 18.593 1.917 0.440 0.571 0.885 0.692 CA 1.394 27 residues pruned to eliminate duplicates Z: 26 18.969 1.875 0.446 0.571 0.920 0.600 CA 1.420 26 residues pruned to eliminate duplicates Z: 50 23.260 1.899 0.354 0.571 0.878 0.653 CB 1.374 50 residues pruned to eliminate duplicates Z: 25 17.788 1.946 0.407 0.605 0.875 0.625 CA 1.372 25 residues pruned to eliminate duplicates Z: 51 21.522 1.884 0.296 0.555 0.840 0.680 CB 1.407 51 residues pruned to eliminate duplicates Z: 48 25.986 1.931 0.458 0.586 0.894 0.617 CB 1.388 48 residues pruned to eliminate duplicates Z: 51 27.897 1.900 0.551 0.581 0.900 0.680 CB 1.376 51 residues pruned to eliminate duplicates Z: 40 20.556 1.882 0.556 0.497 0.872 0.590 CB 1.293 40 residues pruned to eliminate duplicates Z: 42 27.108 1.933 0.650 0.579 0.878 0.585 CA 1.400 42 residues pruned to eliminate duplicates Z: 28 19.157 1.863 0.488 0.580 0.889 0.593 CA 1.386 28 residues pruned to eliminate duplicates Z: 28 20.634 1.948 0.488 0.563 0.926 0.519 CB 1.392 28 residues pruned to eliminate duplicates Z: 37 25.079 1.943 0.636 0.546 0.889 0.500 CB 1.414 37 residues pruned to eliminate duplicates Z: 49 29.149 1.923 0.531 0.608 0.917 0.604 CB 1.408 49 residues pruned to eliminate duplicates Z: 38 22.921 1.945 0.526 0.556 0.973 0.514 CA 1.236 38 residues pruned to eliminate duplicates Z: 48 25.940 1.997 0.567 0.451 0.915 0.596 CB 1.390 48 residues pruned to eliminate duplicates Z: 36 23.570 1.978 0.651 0.498 0.943 0.571 CA 1.297 36 residues pruned to eliminate duplicates Z: 66 30.683 1.979 0.502 0.509 0.954 0.585 CB 1.330 66 residues pruned to eliminate duplicates Z: 55 32.891 2.020 0.631 0.573 0.926 0.685 CB 1.367 55 residues pruned to eliminate duplicates Z: 28 20.925 1.947 0.548 0.581 0.963 0.667 CA 1.283 28 residues pruned to eliminate duplicates Z: 33 20.678 1.869 0.645 0.494 0.906 0.594 CA 1.320 33 residues pruned to eliminate duplicates Z: 54 40.037 2.083 0.673 0.595 0.981 0.660 CA 1.469 55 residues pruned to eliminate duplicates Z: 16 13.861 1.712 0.620 0.861 0.933 0.600 CA 1.016 16 residues pruned to eliminate duplicates Z: 36 25.217 1.996 0.694 0.507 0.943 0.714 CA 1.328 36 residues pruned to eliminate duplicates Z: 50 25.846 1.968 0.679 0.422 0.959 0.490 CB 1.263 50 residues pruned to eliminate duplicates Z: 29 21.346 1.903 0.649 0.613 0.929 0.679 CA 1.244 29 residues pruned to eliminate duplicates Z: 54 26.879 1.971 0.662 0.451 0.906 0.491 CB 1.309 54 residues pruned to eliminate duplicates Z: 39 21.696 1.962 0.548 0.473 0.895 0.605 CA 1.331 39 residues pruned to eliminate duplicates Z: 43 27.989 2.002 0.725 0.531 0.929 0.738 CA 1.306 43 residues pruned to eliminate duplicates Z: 35 15.242 1.957 0.509 0.334 0.882 0.471 CB 1.202 35 residues pruned to eliminate duplicates Z: 22 12.397 1.970 0.582 0.312 0.810 0.476 CB 1.320 22 residues pruned to eliminate duplicates Z: 39 19.669 1.903 0.615 0.474 0.842 0.605 CA 1.266 39 residues pruned to eliminate duplicates Z: 37 30.248 2.104 0.655 0.543 0.972 0.639 CB 1.428 37 residues pruned to eliminate duplicates Z: 7 4.660 1.492 0.946 0.296 1.000 0.500 CA 0.823 7 residues pruned to eliminate duplicates Z: 56 28.238 2.015 0.629 0.474 0.891 0.618 CB 1.337 56 residues pruned to eliminate duplicates Z: 50 24.003 1.941 0.563 0.497 0.878 0.571 CA 1.292 50 residues pruned to eliminate duplicates Z: 50 24.823 1.932 0.604 0.461 0.898 0.612 CB 1.326 50 residues pruned to eliminate duplicates Z: 38 24.601 1.993 0.653 0.523 0.892 0.622 CA 1.346 38 residues pruned to eliminate duplicates Z: 45 24.240 2.009 0.549 0.492 0.864 0.591 CA 1.371 45 residues pruned to eliminate duplicates Z: 13 8.668 1.989 0.476 0.300 0.833 0.500 CA 1.278 13 residues pruned to eliminate duplicates Z: 12 5.232 1.595 0.369 0.274 1.000 0.455 CA 0.934 12 residues pruned to eliminate duplicates Z: 40 26.249 2.043 0.619 0.513 0.897 0.564 CB 1.398 40 residues pruned to eliminate duplicates Z: 51 23.708 1.988 0.538 0.457 0.880 0.520 CA 1.303 51 residues pruned to eliminate duplicates Z: 42 22.778 2.027 0.530 0.434 0.854 0.463 CB 1.439 42 residues pruned to eliminate duplicates Z: 25 12.207 1.882 0.505 0.290 0.833 0.458 CA 1.337 25 residues pruned to eliminate duplicates Z: 56 36.674 2.040 0.668 0.584 0.945 0.600 CA 1.417 56 residues pruned to eliminate duplicates Z: 66 34.415 2.022 0.594 0.541 0.923 0.646 CA 1.378 66 residues pruned to eliminate duplicates Z: 65 36.956 2.052 0.633 0.529 0.922 0.516 CB 1.453 65 residues pruned to eliminate duplicates Z: 56 36.488 2.059 0.589 0.609 0.945 0.618 CA 1.433 56 residues pruned to eliminate duplicates Z: 12 10.552 1.907 0.516 0.552 0.909 0.455 CA 1.151 12 residues pruned to eliminate duplicates Z: 54 37.663 2.072 0.640 0.613 0.962 0.679 CA 1.421 54 residues pruned to eliminate duplicates Z: 30 19.173 2.020 0.536 0.445 0.931 0.586 CB 1.304 30 residues pruned to eliminate duplicates Z: 46 26.254 2.022 0.548 0.525 0.911 0.556 CA 1.340 46 residues pruned to eliminate duplicates Z: 55 33.681 2.033 0.607 0.602 0.926 0.630 CA 1.376 55 residues pruned to eliminate duplicates Z: 58 32.827 1.994 0.540 0.575 0.947 0.579 CA 1.390 58 residues pruned to eliminate duplicates Z: 54 36.141 2.055 0.668 0.589 0.962 0.604 CA 1.382 54 residues pruned to eliminate duplicates Z: 21 27.837 2.095 0.767 0.716 1.000 0.650 CB 1.383 21 residues pruned to eliminate duplicates Z: 13 22.122 2.113 0.455 0.867 1.000 0.833 CA 1.520 13 residues pruned to eliminate duplicates Z: 66 39.041 2.042 0.702 0.538 0.923 0.662 CA 1.454 66 residues pruned to eliminate duplicates Z: 53 38.134 2.092 0.725 0.605 0.904 0.519 CA 1.467 53 residues pruned to eliminate duplicates Z: 66 40.307 2.037 0.794 0.536 0.938 0.585 CB 1.408 66 residues pruned to eliminate duplicates Z: 55 35.496 2.010 0.698 0.599 0.926 0.593 CB 1.391 55 residues pruned to eliminate duplicates Z: 55 37.425 2.012 0.704 0.602 0.926 0.537 CB 1.456 55 residues pruned to eliminate duplicates Z: 17 15.175 1.726 0.918 0.644 1.000 0.625 CA 1.002 17 residues pruned to eliminate duplicates Z: 28 11.410 1.641 0.501 0.524 0.778 0.593 CA 1.119 28 residues pruned to eliminate duplicates Z: 12 10.346 1.729 0.649 0.461 0.909 0.818 CB 1.252 12 residues pruned to eliminate duplicates Z: 28 18.598 1.728 0.718 0.556 0.889 0.593 CB 1.284 28 residues pruned to eliminate duplicates Z: 25 16.790 1.770 0.546 0.519 0.958 0.583 CA 1.282 25 residues pruned to eliminate duplicates Z: 31 20.318 1.739 0.674 0.599 0.900 0.533 CA 1.288 31 residues pruned to eliminate duplicates Z: 35 18.215 1.688 0.481 0.640 0.912 0.471 CB 1.202 35 residues pruned to eliminate duplicates Z: 42 18.971 1.738 0.578 0.608 0.854 0.512 CB 1.142 42 residues pruned to eliminate duplicates Z: 27 20.423 1.730 0.653 0.588 0.962 0.615 CB 1.339 27 residues pruned to eliminate duplicates Z: 20 15.499 1.807 0.457 0.527 0.895 0.684 CB 1.470 20 residues pruned to eliminate duplicates Z: 51 23.398 1.768 0.659 0.542 0.880 0.560 CB 1.230 49 residues pruned to eliminate duplicates Z: 14 14.609 1.752 0.397 0.699 1.000 0.692 CB 1.380 14 residues pruned to eliminate duplicates Z: 25 21.283 1.781 0.623 0.613 1.000 0.708 CB 1.350 25 residues pruned to eliminate duplicates Z: 18 14.213 1.748 0.451 0.592 0.941 0.647 CB 1.322 18 residues pruned to eliminate duplicates Z: 26 18.528 1.713 0.632 0.557 0.960 0.720 CA 1.306 26 residues pruned to eliminate duplicates Z: 27 16.538 1.707 0.569 0.554 0.846 0.577 CB 1.358 27 residues pruned to eliminate duplicates Z: 45 22.476 1.810 0.593 0.494 0.909 0.614 CA 1.301 45 residues pruned to eliminate duplicates Z: 31 10.563 1.686 0.385 0.409 0.800 0.433 CB 1.135 31 residues pruned to eliminate duplicates Z: 33 20.057 1.738 0.796 0.576 0.906 0.438 CB 1.165 33 residues pruned to eliminate duplicates Z: 28 13.580 1.756 0.581 0.430 0.963 0.667 CB 1.051 28 residues pruned to eliminate duplicates Z: 29 21.806 1.826 0.608 0.613 0.964 0.571 CB 1.307 28 residues pruned to eliminate duplicates Z: 6 4.481 1.569 0.371 0.400 1.000 0.800 O 1.035 Z: 16 18.040 1.739 0.758 0.750 0.933 0.333 CB 1.306 22 residues pruned to eliminate duplicates Z: 26 19.082 1.898 0.399 0.607 0.960 0.800 CA 1.352 26 residues pruned to eliminate duplicates Z: 74 24.589 1.790 0.605 0.507 0.822 0.466 CB 1.210 74 residues pruned to eliminate duplicates Z: 57 24.289 1.793 0.659 0.550 0.893 0.571 CB 1.164 57 residues pruned to eliminate duplicates Z: 33 14.824 1.738 0.595 0.459 0.844 0.406 CB 1.168 33 residues pruned to eliminate duplicates Z: 17 10.862 1.684 0.489 0.506 0.938 0.750 CB 1.148 17 residues pruned to eliminate duplicates Z: 19 7.612 1.691 0.253 0.300 0.889 0.556 CB 1.191 19 residues pruned to eliminate duplicates Z: 13 7.308 1.727 0.278 0.389 0.917 0.583 CB 1.173 13 residues pruned to eliminate duplicates Z: 39 19.809 1.809 0.494 0.535 0.921 0.579 CA 1.247 39 residues pruned to eliminate duplicates Z: 16 11.420 1.856 0.297 0.810 1.000 0.867 CA 0.935 16 residues pruned to eliminate duplicates Z: 42 19.015 1.679 0.606 0.546 0.878 0.537 CA 1.199 42 residues pruned to eliminate duplicates Z: 23 13.075 1.799 0.400 0.495 0.909 0.591 CB 1.224 23 residues pruned to eliminate duplicates Z: 10 11.131 1.874 0.492 0.684 0.889 0.667 CA 1.260 10 residues pruned to eliminate duplicates Z: 10 7.967 1.877 0.329 0.671 1.000 0.889 CA 0.909 10 residues pruned to eliminate duplicates Z: 25 15.233 1.841 0.234 0.619 1.000 0.583 CA 1.224 25 residues pruned to eliminate duplicates Z: 52 24.549 1.822 0.574 0.574 0.882 0.608 CA 1.264 47 residues pruned to eliminate duplicates Z: 15 16.540 1.891 0.493 0.908 1.000 0.857 CA 1.112 17 residues pruned to eliminate duplicates Z: 14 17.516 1.863 0.576 0.875 1.000 0.538 CA 1.203 14 residues pruned to eliminate duplicates Z: 26 18.803 1.872 0.476 0.618 0.920 0.560 CB 1.323 26 residues pruned to eliminate duplicates Z: 14 19.668 1.960 0.693 0.892 1.000 0.615 CA 1.180 14 residues pruned to eliminate duplicates Z: 29 15.214 1.783 0.358 0.543 0.929 0.571 CB 1.226 29 residues pruned to eliminate duplicates Z: 33 23.185 2.037 0.671 0.527 0.906 0.594 CB 1.294 32 residues pruned to eliminate duplicates Z: 6 6.200 1.999 0.632 0.596 0.800 0.800 CB 0.969 6 residues pruned to eliminate duplicates Z: 17 12.693 1.867 0.666 0.381 0.938 0.625 CA 1.235 17 residues pruned to eliminate duplicates Z: 34 25.430 1.998 0.764 0.533 0.909 0.636 CA 1.337 34 residues pruned to eliminate duplicates Z: 11 7.743 1.676 0.772 0.357 0.800 0.400 N 1.202 11 residues pruned to eliminate duplicates Z: 15 10.125 1.932 0.570 0.390 0.857 0.429 CA 1.169 15 residues pruned to eliminate duplicates Z: 17 11.840 1.764 0.563 0.510 0.938 0.500 CA 1.135 17 residues pruned to eliminate duplicates Z: 12 5.374 1.505 0.724 0.519 0.727 0.455 N 0.843 12 residues pruned to eliminate duplicates Z: 39 21.378 1.894 0.627 0.469 0.895 0.526 CA 1.298 39 residues pruned to eliminate duplicates Z: 12 16.428 1.998 0.990 0.759 0.818 0.545 CA 1.209 12 residues pruned to eliminate duplicates Z: 20 13.848 2.032 0.607 0.451 0.789 0.474 CA 1.295 20 residues pruned to eliminate duplicates Z: 23 19.077 2.015 0.610 0.600 0.909 0.500 CB 1.253 23 residues pruned to eliminate duplicates Z: 49 26.658 1.986 0.611 0.480 0.917 0.604 CB 1.339 49 residues pruned to eliminate duplicates Z: 31 23.949 2.024 0.723 0.513 0.933 0.533 CA 1.326 31 residues pruned to eliminate duplicates Z: 33 22.650 1.943 0.671 0.539 0.969 0.594 CA 1.225 33 residues pruned to eliminate duplicates Z: 21 15.592 1.977 0.514 0.443 0.900 0.500 CB 1.373 21 residues pruned to eliminate duplicates Z: 32 19.632 2.014 0.662 0.494 0.839 0.548 CB 1.263 32 residues pruned to eliminate duplicates Z: 31 21.505 1.977 0.675 0.560 0.867 0.533 CB 1.290 31 residues pruned to eliminate duplicates Z: 26 18.509 1.955 0.754 0.492 0.840 0.520 CB 1.296 26 residues pruned to eliminate duplicates Z: 40 19.261 1.901 0.571 0.450 0.872 0.564 CB 1.247 40 residues pruned to eliminate duplicates Z: 21 16.897 2.050 0.631 0.528 0.900 0.600 CB 1.221 21 residues pruned to eliminate duplicates Z: 8 12.557 2.064 0.793 0.529 0.857 0.857 CA 1.455 8 residues pruned to eliminate duplicates Z: 30 22.717 2.006 0.773 0.516 0.897 0.621 CA 1.302 30 residues pruned to eliminate duplicates Z: 8 9.308 2.066 0.497 0.499 0.857 0.571 CB 1.329 8 residues pruned to eliminate duplicates Z: 20 15.115 1.927 0.668 0.594 0.842 0.368 CB 1.171 20 residues pruned to eliminate duplicates Z: 25 16.559 1.977 0.578 0.465 0.792 0.500 CB 1.418 25 residues pruned to eliminate duplicates Z: 22 17.964 1.966 0.579 0.483 0.905 0.524 CB 1.420 22 residues pruned to eliminate duplicates Z: 24 18.654 1.908 0.585 0.482 0.870 0.609 CA 1.506 24 residues pruned to eliminate duplicates Z: 37 20.421 1.929 0.606 0.440 0.861 0.500 CB 1.357 37 residues pruned to eliminate duplicates Z: 34 22.142 2.007 0.604 0.444 0.879 0.485 CB 1.443 34 residues pruned to eliminate duplicates Z: 39 25.801 2.007 0.666 0.476 0.921 0.526 CB 1.391 39 residues pruned to eliminate duplicates Z: 30 24.125 1.986 0.741 0.485 0.931 0.690 CA 1.414 30 residues pruned to eliminate duplicates Z: 39 29.620 2.018 0.769 0.497 0.947 0.632 CB 1.425 39 residues pruned to eliminate duplicates Z: 25 22.297 2.027 0.692 0.528 0.917 0.417 CB 1.409 25 residues pruned to eliminate duplicates Z: 63 31.890 1.974 0.741 0.474 0.903 0.532 CB 1.340 63 residues pruned to eliminate duplicates Z: 35 22.214 2.004 0.512 0.444 0.941 0.676 CB 1.416 35 residues pruned to eliminate duplicates Z: 65 27.403 1.955 0.603 0.413 0.875 0.594 CB 1.368 65 residues pruned to eliminate duplicates Z: 59 31.825 1.981 0.662 0.466 0.948 0.586 CB 1.386 59 residues pruned to eliminate duplicates Z: 39 23.219 1.972 0.560 0.448 0.921 0.658 CB 1.402 39 residues pruned to eliminate duplicates Z: 32 17.428 1.910 0.511 0.429 0.935 0.581 CB 1.249 32 residues pruned to eliminate duplicates Z: 39 22.709 1.987 0.526 0.451 0.895 0.605 CB 1.429 39 residues pruned to eliminate duplicates Z: 29 22.267 2.032 0.596 0.483 0.964 0.750 CA 1.370 29 residues pruned to eliminate duplicates Z: 31 23.400 2.017 0.697 0.483 0.900 0.767 CA 1.411 31 residues pruned to eliminate duplicates Z: 36 22.911 2.006 0.527 0.453 0.943 0.686 CA 1.406 36 residues pruned to eliminate duplicates Z: 41 26.102 2.003 0.722 0.441 0.900 0.625 CB 1.412 41 residues pruned to eliminate duplicates Z: 16 10.468 1.926 0.416 0.308 0.867 0.600 CB 1.415 16 residues pruned to eliminate duplicates Z: 35 20.096 1.964 0.513 0.443 0.853 0.647 CB 1.443 35 residues pruned to eliminate duplicates Z: 16 13.600 1.969 0.547 0.277 1.000 0.733 CA 1.484 16 residues pruned to eliminate duplicates Z: 59 29.854 2.011 0.631 0.445 0.897 0.569 CB 1.411 60 residues pruned to eliminate duplicates Z: 9 11.532 1.664 0.570 0.573 1.000 0.750 CA 1.454 9 residues pruned to eliminate duplicates Z: 13 17.092 2.084 0.735 0.365 1.000 0.750 CB 1.577 13 residues pruned to eliminate duplicates Z: 15 12.132 1.992 0.574 0.289 1.000 0.786 CB 1.311 15 residues pruned to eliminate duplicates Z: 38 24.810 2.045 0.564 0.478 0.946 0.757 CB 1.378 38 residues pruned to eliminate duplicates Z: 59 31.107 1.980 0.620 0.498 0.931 0.586 CB 1.370 59 residues pruned to eliminate duplicates Z: 62 35.151 1.996 0.733 0.518 0.918 0.639 CB 1.392 62 residues pruned to eliminate duplicates Z: 8 8.404 1.567 0.497 0.543 1.000 0.571 O 1.298 8 residues pruned to eliminate duplicates Z: 7 3.543 1.603 0.333 0.365 0.667 0.500 N 1.174 7 residues pruned to eliminate duplicates Z: 12 5.777 1.775 0.422 0.309 0.636 0.455 CB 1.340 12 residues pruned to eliminate duplicates Z: 15 6.850 1.730 0.564 0.309 0.643 0.357 CB 1.300 15 residues pruned to eliminate duplicates Z: 13 6.502 1.761 0.474 0.261 0.750 0.167 CB 1.267 13 residues pruned to eliminate duplicates Z: 17 6.821 1.722 0.480 0.208 0.750 0.562 CB 1.261 17 residues pruned to eliminate duplicates Z: 22 11.362 1.745 0.416 0.441 0.905 0.238 CB 1.177 22 residues pruned to eliminate duplicates Z: 15 13.060 1.828 0.517 0.774 0.929 0.571 CB 1.064 15 residues pruned to eliminate duplicates Z: 17 9.443 1.717 0.542 0.629 0.812 0.562 CB 0.972 17 residues pruned to eliminate duplicates Z: 31 12.425 1.724 0.482 0.515 0.733 0.300 CB 1.193 26 residues pruned to eliminate duplicates Z: 14 14.005 1.564 0.802 0.924 1.000 0.846 CA 0.968 14 residues pruned to eliminate duplicates Z: 11 12.289 1.698 0.608 0.863 1.000 0.800 CB 1.045 11 residues pruned to eliminate duplicates Z: 12 10.394 1.703 0.522 0.827 0.909 0.727 CB 1.002 12 residues pruned to eliminate duplicates Z: 15 11.401 1.802 0.578 0.783 0.857 0.643 CB 0.974 15 residues pruned to eliminate duplicates Z: 23 13.108 1.719 0.643 0.573 0.818 0.500 CB 1.127 23 residues pruned to eliminate duplicates Z: 20 10.027 1.670 0.587 0.608 0.895 0.579 CB 0.876 20 residues pruned to eliminate duplicates Z: 25 12.213 1.727 0.420 0.570 0.833 0.417 CB 1.140 25 residues pruned to eliminate duplicates Z: 28 11.600 1.668 0.606 0.543 0.741 0.259 CB 1.079 28 residues pruned to eliminate duplicates Z: 7 7.342 1.878 0.029 0.857 1.000 0.833 CB 1.144 7 residues pruned to eliminate duplicates Z: 7 9.939 1.898 0.491 0.876 1.000 0.667 CB 1.043 8 residues pruned to eliminate duplicates Z: 10 5.865 1.579 0.394 0.742 0.778 0.556 CA 0.919 10 residues pruned to eliminate duplicates Z: 9 4.865 1.782 0.407 0.590 0.750 0.625 CB 0.839 9 residues pruned to eliminate duplicates Z: 6 7.049 1.882 0.126 0.790 1.000 0.800 CA 1.153 6 residues pruned to eliminate duplicates Z: 11 5.930 1.563 0.293 0.546 0.900 0.500 CB 0.986 11 residues pruned to eliminate duplicates Z: 9 3.530 1.824 0.392 0.299 0.625 0.125 CB 0.984 7 residues pruned to eliminate duplicates Z: 8 6.661 1.578 1.102 0.414 0.857 0.000 CA 0.969 10 residues pruned to eliminate duplicates Z: 8 4.791 1.712 0.383 0.392 0.714 0.143 CA 1.200 9 residues pruned to eliminate duplicates Z: 6 4.077 1.455 0.765 0.353 0.800 0.400 CA 1.041 6 residues pruned to eliminate duplicates Z: 6 2.675 1.904 0.324 0.199 0.600 0.400 CB 1.131 3 residues pruned to eliminate duplicates Z: 12 16.878 2.024 0.886 0.880 0.727 0.545 CA 1.329 12 residues pruned to eliminate duplicates Z: 67 37.043 2.029 0.517 0.636 0.924 0.621 CA 1.411 115 residues pruned to eliminate duplicates Z: 67 38.067 2.017 0.524 0.622 0.939 0.576 CA 1.447 67 residues pruned to eliminate duplicates Z: 75 37.602 2.013 0.680 0.569 0.865 0.568 CB 1.398 88 residues pruned to eliminate duplicates Z: 39 32.604 2.090 0.729 0.637 0.895 0.737 CA 1.438 39 residues pruned to eliminate duplicates Z: 71 38.340 1.998 0.603 0.583 0.929 0.586 CB 1.422 71 residues pruned to eliminate duplicates Z: 39 30.881 2.062 0.661 0.645 0.868 0.579 CA 1.471 39 residues pruned to eliminate duplicates Z: 68 41.767 2.029 0.703 0.626 0.896 0.657 CB 1.464 68 residues pruned to eliminate duplicates Z: 67 40.986 2.029 0.659 0.627 0.924 0.652 CA 1.438 67 residues pruned to eliminate duplicates Z: 52 27.015 1.975 0.560 0.542 0.843 0.529 CA 1.397 52 residues pruned to eliminate duplicates Z: 24 18.768 1.939 0.545 0.640 0.870 0.652 CB 1.318 24 residues pruned to eliminate duplicates Z: 64 35.658 2.016 0.553 0.598 0.937 0.635 CB 1.395 64 residues pruned to eliminate duplicates Z: 44 28.509 2.008 0.579 0.582 0.884 0.628 CB 1.434 44 residues pruned to eliminate duplicates Z: 50 31.466 1.988 0.526 0.609 0.980 0.571 CA 1.364 50 residues pruned to eliminate duplicates Z: 43 31.691 2.018 0.615 0.633 0.929 0.667 CA 1.426 43 residues pruned to eliminate duplicates Z: 62 43.699 2.064 0.669 0.670 0.951 0.656 CA 1.459 62 residues pruned to eliminate duplicates Z: 40 29.353 2.016 0.705 0.658 0.872 0.692 CA 1.355 40 residues pruned to eliminate duplicates Z: 65 42.916 2.067 0.632 0.645 0.953 0.656 CA 1.458 65 residues pruned to eliminate duplicates Z: 67 39.796 2.032 0.588 0.622 0.939 0.636 CA 1.441 67 residues pruned to eliminate duplicates Z: 75 40.724 2.024 0.673 0.584 0.905 0.608 CB 1.425 75 residues pruned to eliminate duplicates Z: 64 37.587 2.008 0.551 0.611 0.984 0.667 CB 1.391 64 residues pruned to eliminate duplicates Z: 68 42.390 2.032 0.674 0.601 0.970 0.627 CB 1.426 68 residues pruned to eliminate duplicates Z: 65 40.089 2.050 0.495 0.639 0.984 0.594 CB 1.458 65 residues pruned to eliminate duplicates Z: 45 27.691 1.955 0.628 0.547 0.886 0.500 CB 1.413 45 residues pruned to eliminate duplicates Z: 66 38.307 2.045 0.623 0.615 0.892 0.677 CB 1.439 66 residues pruned to eliminate duplicates Z: 47 31.272 1.944 0.673 0.603 0.935 0.652 CB 1.375 47 residues pruned to eliminate duplicates Z: 66 39.717 2.013 0.614 0.602 0.938 0.692 CB 1.466 66 residues pruned to eliminate duplicates Z: 51 34.316 2.040 0.597 0.624 0.920 0.640 CA 1.439 51 residues pruned to eliminate duplicates Z: 38 37.437 2.087 0.748 0.684 0.946 0.595 CA 1.506 38 residues pruned to eliminate duplicates Z: 62 38.085 2.023 0.618 0.588 0.951 0.607 CA 1.440 62 residues pruned to eliminate duplicates Z: 105 46.334 2.011 0.615 0.571 0.933 0.587 CB 1.401 59 residues pruned to eliminate duplicates Z: 14 26.312 2.037 0.898 0.879 1.000 0.538 CA 1.369 14 residues pruned to eliminate duplicates Z: 43 35.297 2.068 0.815 0.595 0.929 0.619 CB 1.427 43 residues pruned to eliminate duplicates Z: 69 36.787 1.988 0.586 0.589 0.912 0.647 CA 1.425 69 residues pruned to eliminate duplicates Z: 27 23.969 2.066 0.618 0.609 0.885 0.615 CB 1.433 27 residues pruned to eliminate duplicates Z: 57 36.580 2.035 0.705 0.558 0.964 0.482 CB 1.382 57 residues pruned to eliminate duplicates Z: 68 40.889 2.032 0.709 0.621 0.925 0.552 CB 1.387 68 residues pruned to eliminate duplicates Z: 56 28.392 2.004 0.653 0.513 0.873 0.491 CB 1.307 56 residues pruned to eliminate duplicates Z: 25 21.394 1.985 0.488 0.649 0.917 0.750 CB 1.404 25 residues pruned to eliminate duplicates Z: 26 21.133 1.931 0.490 0.604 0.960 0.720 CA 1.386 26 residues pruned to eliminate duplicates Z: 29 21.134 1.914 0.565 0.538 0.929 0.643 CB 1.384 29 residues pruned to eliminate duplicates Z: 25 23.928 1.992 0.556 0.614 0.958 0.583 CA 1.476 25 residues pruned to eliminate duplicates Z: 63 32.883 1.967 0.653 0.521 0.871 0.581 CB 1.444 63 residues pruned to eliminate duplicates Z: 61 32.456 1.982 0.584 0.581 0.917 0.533 CB 1.347 61 residues pruned to eliminate duplicates Z: 63 43.684 2.045 0.788 0.631 0.919 0.581 CB 1.459 63 residues pruned to eliminate duplicates Z: 6 7.327 1.823 0.411 0.599 1.000 1.000 CB 1.159 6 residues pruned to eliminate duplicates Z: 72 34.258 1.992 0.652 0.548 0.845 0.577 CB 1.395 72 residues pruned to eliminate duplicates Z: 64 39.888 2.041 0.610 0.636 0.905 0.556 CA 1.488 64 residues pruned to eliminate duplicates Z: 79 35.820 1.962 0.638 0.562 0.859 0.538 CB 1.383 79 residues pruned to eliminate duplicates Z: 31 16.033 1.822 0.429 0.499 0.833 0.567 CB 1.351 31 residues pruned to eliminate duplicates Z: 25 24.542 1.993 0.528 0.654 0.958 0.750 CB 1.488 25 residues pruned to eliminate duplicates Z: 14 14.026 1.913 0.264 0.907 0.923 0.769 CA 1.238 14 residues pruned to eliminate duplicates Z: 67 37.596 1.998 0.694 0.606 0.894 0.530 CB 1.383 67 residues pruned to eliminate duplicates Z: 28 21.978 1.918 0.535 0.585 0.963 0.630 CB 1.375 27 residues pruned to eliminate duplicates Z: 16 17.233 1.860 0.589 0.857 0.933 0.733 CA 1.189 16 residues pruned to eliminate duplicates Z: 62 33.997 2.001 0.559 0.608 0.902 0.541 CB 1.396 62 residues pruned to eliminate duplicates Z: 61 40.147 2.043 0.684 0.625 0.900 0.733 CB 1.487 61 residues pruned to eliminate duplicates Z: 25 22.704 1.981 0.538 0.644 0.958 0.625 CA 1.388 25 residues pruned to eliminate duplicates Z: 74 39.941 2.015 0.653 0.599 0.877 0.562 CB 1.456 74 residues pruned to eliminate duplicates Z: 27 18.355 1.937 0.359 0.607 0.962 0.654 CA 1.284 27 residues pruned to eliminate duplicates Z: 15 3.736 1.840 0.312 0.259 0.500 0.214 CB 1.091 Z: 7 3.562 1.459 0.378 0.341 0.833 0.333 CB 1.032 7 residues pruned to eliminate duplicates Z: 6 6.852 1.605 0.487 0.632 0.800 0.400 O 1.419 12 residues pruned to eliminate duplicates Z: 6 8.599 1.724 0.417 0.711 1.000 0.400 CA 1.300 8 residues pruned to eliminate duplicates Z: 10 11.406 1.766 0.529 0.572 1.000 0.556 CA 1.314 7 residues pruned to eliminate duplicates Z: 6 2.661 1.765 0.818 0.261 0.600 0.400 CA 0.812 6 residues pruned to eliminate duplicates Z: 42 24.174 1.958 0.426 0.650 0.878 0.707 CB 1.340 42 residues pruned to eliminate duplicates Z: 14 4.067 1.523 0.549 0.318 0.692 0.462 CB 0.844 Z: 51 21.154 1.909 0.354 0.554 0.860 0.580 CB 1.277 65 residues pruned to eliminate duplicates Z: 43 27.427 1.969 0.572 0.642 0.881 0.619 CB 1.359 43 residues pruned to eliminate duplicates Z: 65 33.832 1.995 0.521 0.634 0.922 0.703 CB 1.333 65 residues pruned to eliminate duplicates Z: 45 28.106 1.981 0.563 0.559 0.955 0.682 CB 1.354 45 residues pruned to eliminate duplicates Z: 50 24.624 1.933 0.499 0.580 0.878 0.653 CB 1.281 50 residues pruned to eliminate duplicates Z: 39 23.156 1.964 0.296 0.619 0.974 0.658 CB 1.355 39 residues pruned to eliminate duplicates Z: 37 25.200 1.989 0.417 0.648 0.944 0.667 CA 1.375 37 residues pruned to eliminate duplicates Z: 52 25.655 1.938 0.529 0.549 0.843 0.608 CB 1.371 62 residues pruned to eliminate duplicates Z: 28 20.631 1.890 0.746 0.589 0.889 0.667 CA 1.243 28 residues pruned to eliminate duplicates Z: 62 32.679 1.974 0.505 0.621 0.934 0.639 CA 1.346 62 residues pruned to eliminate duplicates Z: 38 26.670 2.002 0.526 0.679 0.865 0.676 CB 1.408 38 residues pruned to eliminate duplicates Z: 16 13.612 1.940 0.690 0.675 0.867 0.667 CB 1.052 16 residues pruned to eliminate duplicates Z: 48 20.902 1.938 0.381 0.561 0.872 0.638 CB 1.232 48 residues pruned to eliminate duplicates Z: 53 24.493 1.935 0.552 0.502 0.865 0.615 CB 1.305 53 residues pruned to eliminate duplicates Z: 27 13.978 1.767 0.569 0.581 0.885 0.615 CA 1.034 27 residues pruned to eliminate duplicates Z: 44 23.821 1.945 0.467 0.587 0.907 0.651 CB 1.291 44 residues pruned to eliminate duplicates Z: 38 26.844 1.994 0.515 0.644 0.946 0.676 CB 1.350 38 residues pruned to eliminate duplicates Z: 26 16.621 1.962 0.225 0.591 0.960 0.760 CA 1.320 26 residues pruned to eliminate duplicates Z: 43 28.773 1.969 0.709 0.630 0.905 0.571 CB 1.290 43 residues pruned to eliminate duplicates Z: 39 27.733 1.986 0.503 0.648 0.974 0.632 CA 1.348 39 residues pruned to eliminate duplicates Z: 49 28.490 1.984 0.458 0.585 0.917 0.729 CB 1.428 49 residues pruned to eliminate duplicates Z: 42 27.964 1.966 0.524 0.654 0.927 0.707 CA 1.362 42 residues pruned to eliminate duplicates Z: 37 24.882 1.971 0.460 0.653 0.944 0.722 CA 1.324 37 residues pruned to eliminate duplicates Z: 49 26.576 1.957 0.514 0.579 0.938 0.646 CB 1.280 49 residues pruned to eliminate duplicates Z: 32 21.244 1.955 0.570 0.534 0.903 0.613 CB 1.332 32 residues pruned to eliminate duplicates Z: 48 28.838 1.903 0.491 0.619 0.957 0.766 CB 1.383 48 residues pruned to eliminate duplicates Z: 27 19.472 1.960 0.363 0.618 0.962 0.692 CA 1.330 27 residues pruned to eliminate duplicates Z: 32 21.892 1.943 0.832 0.549 0.871 0.613 CB 1.209 32 residues pruned to eliminate duplicates Z: 23 8.833 1.789 0.297 0.249 0.818 0.409 CB 1.324 23 residues pruned to eliminate duplicates Z: 44 22.469 1.891 0.649 0.470 0.884 0.605 CB 1.282 44 residues pruned to eliminate duplicates Z: 36 22.492 1.900 0.691 0.470 0.886 0.514 CA 1.378 36 residues pruned to eliminate duplicates Z: 45 24.789 1.911 0.525 0.490 0.932 0.682 CA 1.390 45 residues pruned to eliminate duplicates Z: 58 28.385 1.925 0.522 0.554 0.912 0.667 CB 1.336 58 residues pruned to eliminate duplicates Z: 64 33.978 1.970 0.567 0.579 0.952 0.667 CA 1.349 64 residues pruned to eliminate duplicates Z: 56 29.700 1.929 0.569 0.568 0.945 0.636 CB 1.310 56 residues pruned to eliminate duplicates Z: 46 27.499 1.966 0.646 0.527 0.911 0.667 CA 1.354 46 residues pruned to eliminate duplicates Z: 10 3.774 1.662 0.382 0.226 0.667 0.333 N 1.131 10 residues pruned to eliminate duplicates Z: 8 2.806 1.849 0.101 0.151 0.714 0.571 N 1.120 8 residues pruned to eliminate duplicates Z: 65 34.043 1.929 0.620 0.607 0.953 0.719 CB 1.291 65 residues pruned to eliminate duplicates 8 1.771 1.372 0.086 0.372 0.857 0.429 CB 0.601 ? Z: 16 21.721 2.002 0.512 0.858 0.933 0.867 CA 1.461 16 residues pruned to eliminate duplicates Z: 55 33.743 1.938 0.653 0.568 0.963 0.704 CB 1.394 55 residues pruned to eliminate duplicates Z: 62 36.432 1.971 0.651 0.624 0.951 0.705 CB 1.342 62 residues pruned to eliminate duplicates Z: 18 19.606 1.965 0.499 0.743 0.882 0.824 CA 1.472 18 residues pruned to eliminate duplicates Z: 16 20.905 2.068 0.309 0.861 1.000 0.933 CA 1.465 16 residues pruned to eliminate duplicates Z: 17 23.891 2.056 0.495 0.783 1.000 0.875 CB 1.515 17 residues pruned to eliminate duplicates Z: 24 20.024 1.992 0.505 0.566 0.870 0.783 CB 1.502 24 residues pruned to eliminate duplicates Z: 42 23.934 1.956 0.415 0.531 0.927 0.756 CA 1.414 42 residues pruned to eliminate duplicates Z: 25 15.794 1.920 0.369 0.529 0.875 0.708 CB 1.363 25 residues pruned to eliminate duplicates Z: 18 18.511 1.973 0.592 0.716 0.882 0.647 CB 1.332 18 residues pruned to eliminate duplicates Z: 35 22.024 1.952 0.470 0.527 0.882 0.618 CB 1.454 35 residues pruned to eliminate duplicates Z: 24 17.051 1.991 0.415 0.593 0.826 0.652 CB 1.397 24 residues pruned to eliminate duplicates Z: 16 24.037 2.080 0.388 0.859 1.000 0.933 CB 1.581 16 residues pruned to eliminate duplicates Z: 8 5.345 1.573 0.508 0.466 0.857 0.571 CA 1.029 8 residues pruned to eliminate duplicates Z: 13 13.442 1.859 0.471 0.718 1.000 0.750 CA 1.165 13 residues pruned to eliminate duplicates Z: 15 13.135 1.780 0.597 0.652 1.000 0.643 CA 1.072 15 residues pruned to eliminate duplicates Z: 13 15.079 1.862 0.533 0.776 1.000 0.833 CA 1.195 13 residues pruned to eliminate duplicates Z: 12 16.298 1.872 0.807 0.725 1.000 0.818 CA 1.185 12 residues pruned to eliminate duplicates Z: 15 14.441 1.741 0.773 0.631 1.000 0.786 CA 1.106 15 residues pruned to eliminate duplicates Z: 14 14.606 1.788 0.629 0.665 1.000 0.846 CA 1.194 14 residues pruned to eliminate duplicates Z: 13 17.157 1.843 0.743 0.771 1.000 0.833 CA 1.213 13 residues pruned to eliminate duplicates Z: 63 30.415 1.871 0.595 0.581 0.903 0.661 CB 1.326 63 residues pruned to eliminate duplicates Z: 10 13.084 1.807 0.723 0.862 1.000 0.889 CA 1.029 10 residues pruned to eliminate duplicates Z: 14 15.410 1.867 0.619 0.656 1.000 0.846 CA 1.222 14 residues pruned to eliminate duplicates Z: 14 13.254 1.787 0.739 0.687 0.923 0.846 CA 1.080 14 residues pruned to eliminate duplicates Z: 13 11.831 1.675 0.667 0.689 0.917 0.667 CB 1.122 13 residues pruned to eliminate duplicates Z: 21 12.154 1.728 0.662 0.654 0.800 0.600 CB 1.025 21 residues pruned to eliminate duplicates Z: 20 9.303 1.748 0.505 0.545 0.789 0.474 CB 0.983 20 residues pruned to eliminate duplicates Z: 19 10.308 1.792 0.419 0.569 0.833 0.556 CB 1.072 19 residues pruned to eliminate duplicates Z: 19 13.164 1.795 0.694 0.630 0.833 0.722 CB 1.083 19 residues pruned to eliminate duplicates Z: 23 11.096 1.694 0.559 0.566 0.864 0.682 CB 0.973 23 residues pruned to eliminate duplicates Z: 14 13.364 1.639 0.801 0.781 1.000 0.615 CB 0.980 14 residues pruned to eliminate duplicates Z: 19 13.196 1.796 0.572 0.612 0.889 0.667 CB 1.114 19 residues pruned to eliminate duplicates Z: 20 11.559 1.752 0.611 0.599 0.789 0.579 CB 1.083 20 residues pruned to eliminate duplicates Z: 20 11.587 1.761 0.448 0.646 0.842 0.474 CB 1.080 20 residues pruned to eliminate duplicates Z: 15 11.238 1.648 0.622 0.709 0.929 0.571 CB 1.000 15 residues pruned to eliminate duplicates Z: 11 11.834 1.981 0.460 0.701 0.800 0.600 CB 1.346 11 residues pruned to eliminate duplicates Z: 28 20.216 1.967 0.772 0.627 0.926 0.407 CB 1.069 28 residues pruned to eliminate duplicates Z: 28 17.051 1.979 0.602 0.540 0.889 0.444 CB 1.119 28 residues pruned to eliminate duplicates Z: 27 20.117 1.893 0.769 0.453 0.923 0.346 CB 1.338 27 residues pruned to eliminate duplicates Z: 26 12.617 1.790 0.621 0.429 0.880 0.360 CB 1.064 26 residues pruned to eliminate duplicates Z: 13 5.657 1.652 0.683 0.408 0.667 0.250 N 0.970 13 residues pruned to eliminate duplicates Z: 31 20.294 1.904 0.493 0.564 0.900 0.667 CA 1.361 31 residues pruned to eliminate duplicates Z: 10 7.121 1.761 0.681 0.420 0.778 0.444 CB 1.121 10 residues pruned to eliminate duplicates Z: 23 12.993 1.914 0.591 0.435 0.773 0.500 CA 1.259 23 residues pruned to eliminate duplicates Z: 27 15.401 1.929 0.780 0.501 0.808 0.269 CB 1.088 27 residues pruned to eliminate duplicates Z: 34 21.120 1.906 0.623 0.547 0.818 0.485 CA 1.386 34 residues pruned to eliminate duplicates Z: 12 7.203 1.641 0.925 0.479 0.818 0.364 CB 0.858 Z: 18 25.563 1.999 0.719 0.744 1.000 0.824 CA 1.451 18 residues pruned to eliminate duplicates Z: 19 22.647 2.086 0.636 0.657 0.944 0.722 CA 1.431 19 residues pruned to eliminate duplicates Z: 18 24.063 2.030 0.814 0.691 1.000 0.647 CA 1.330 18 residues pruned to eliminate duplicates Z: 25 20.563 1.980 0.656 0.523 0.833 0.292 CA 1.502 25 residues pruned to eliminate duplicates Z: 33 28.702 2.052 0.553 0.591 0.969 0.688 CA 1.507 33 residues pruned to eliminate duplicates Z: 20 23.121 1.979 0.670 0.646 0.947 0.421 CA 1.479 20 residues pruned to eliminate duplicates Z: 42 28.439 1.990 0.709 0.559 0.902 0.488 CA 1.367 54 residues pruned to eliminate duplicates Z: 15 25.436 2.126 0.744 0.811 0.929 0.571 CA 1.506 15 residues pruned to eliminate duplicates Z: 18 26.108 2.013 0.806 0.701 1.000 0.588 CA 1.451 18 residues pruned to eliminate duplicates Z: 30 23.409 1.927 0.742 0.576 0.897 0.483 CA 1.342 30 residues pruned to eliminate duplicates Z: 29 21.027 1.968 0.660 0.577 0.821 0.607 CA 1.375 29 residues pruned to eliminate duplicates Z: 18 23.902 1.993 0.685 0.704 0.941 0.412 CA 1.523 18 residues pruned to eliminate duplicates Z: 37 33.838 2.002 0.834 0.598 0.972 0.472 CB 1.439 37 residues pruned to eliminate duplicates Z: 25 25.687 2.001 0.881 0.630 0.875 0.417 CB 1.409 25 residues pruned to eliminate duplicates Z: 32 21.409 1.812 0.767 0.552 0.839 0.452 CB 1.361 32 residues pruned to eliminate duplicates Z: 31 29.171 2.027 0.794 0.605 0.900 0.600 CA 1.473 31 residues pruned to eliminate duplicates Z: 38 29.162 1.975 0.791 0.592 0.919 0.459 CB 1.351 38 residues pruned to eliminate duplicates Z: 17 13.976 1.970 0.525 0.401 1.000 0.500 CA 1.291 17 residues pruned to eliminate duplicates Z: 31 29.294 1.977 0.816 0.577 0.933 0.400 CB 1.482 31 residues pruned to eliminate duplicates Z: 43 25.967 1.962 0.765 0.510 0.810 0.452 CB 1.415 43 residues pruned to eliminate duplicates Z: 28 29.017 2.052 0.885 0.543 0.889 0.333 CA 1.558 28 residues pruned to eliminate duplicates Z: 21 13.683 1.917 0.759 0.285 0.850 0.350 CA 1.360 21 residues pruned to eliminate duplicates Z: 37 25.513 1.980 0.703 0.551 0.889 0.389 CB 1.350 37 residues pruned to eliminate duplicates Z: 27 20.680 1.970 0.760 0.468 0.846 0.423 CB 1.428 27 residues pruned to eliminate duplicates Z: 19 13.912 1.960 0.750 0.371 0.833 0.444 CB 1.318 19 residues pruned to eliminate duplicates Z: 19 16.618 1.934 0.759 0.356 0.944 0.556 CA 1.425 19 residues pruned to eliminate duplicates Z: 58 28.759 1.946 0.723 0.496 0.825 0.456 CB 1.384 58 residues pruned to eliminate duplicates Z: 18 19.043 1.931 0.817 0.442 1.000 0.529 CA 1.398 18 residues pruned to eliminate duplicates Z: 32 31.346 2.014 0.828 0.554 0.935 0.516 CA 1.551 32 residues pruned to eliminate duplicates Z: 32 29.532 2.030 0.928 0.539 0.903 0.452 CB 1.444 32 residues pruned to eliminate duplicates Z: 31 32.618 2.042 0.933 0.544 0.967 0.333 CA 1.495 31 residues pruned to eliminate duplicates Z: 33 28.328 1.987 0.745 0.540 0.938 0.438 CB 1.481 33 residues pruned to eliminate duplicates Z: 12 6.450 1.701 0.223 0.587 0.909 0.545 CB 0.946 Z: 9 6.778 1.743 0.403 0.700 1.000 0.750 CB 0.816 9 residues pruned to eliminate duplicates Z: 7 8.210 1.877 0.360 0.836 0.833 0.667 CA 1.180 7 residues pruned to eliminate duplicates Z: 8 8.856 1.803 0.296 0.792 1.000 0.571 CA 1.109 6 residues pruned to eliminate duplicates Z: 9 10.676 1.838 0.433 0.804 1.000 0.375 CA 1.100 9 residues pruned to eliminate duplicates Z: 13 9.821 1.709 0.531 0.477 1.000 0.667 CB 1.109 14 residues pruned to eliminate duplicates Z: 8 7.674 1.829 0.415 0.651 0.857 0.571 CB 1.136 8 residues pruned to eliminate duplicates Z: 21 13.193 1.829 0.628 0.466 0.800 0.700 CB 1.282 23 residues pruned to eliminate duplicates Z: 10 8.403 1.726 0.714 0.594 1.000 0.444 CA 0.865 10 residues pruned to eliminate duplicates Z: 30 12.367 1.694 0.613 0.358 0.862 0.621 CB 1.137 21 residues pruned to eliminate duplicates Z: 6 7.219 1.737 0.539 0.355 1.000 0.400 N 1.412 6 residues pruned to eliminate duplicates Z: 9 16.226 2.037 0.788 0.531 1.000 0.875 CA 1.527 9 residues pruned to eliminate duplicates Z: 13 11.849 1.837 0.561 0.471 0.917 0.667 CB 1.340 13 residues pruned to eliminate duplicates Z: 27 11.692 1.681 0.428 0.413 0.846 0.615 CA 1.237 23 residues pruned to eliminate duplicates 6 1.997 1.499 0.389 0.279 0.800 0.400 N 0.688 ? Z: 6 2.605 1.428 0.433 0.337 0.800 0.600 CA 0.850 6 residues pruned to eliminate duplicates Z: 6 2.862 1.388 1.141 0.403 0.800 0.400 CA 0.596 6 residues pruned to eliminate duplicates Z: 36 20.510 1.856 0.668 0.482 0.914 0.457 CB 1.248 35 residues pruned to eliminate duplicates Z: 7 4.843 1.548 0.361 0.486 1.000 1.000 CA 0.952 7 residues pruned to eliminate duplicates Z: 23 11.816 1.743 0.682 0.512 0.682 0.318 CB 1.245 23 residues pruned to eliminate duplicates Z: 36 23.022 1.892 0.734 0.498 0.886 0.457 CA 1.342 39 residues pruned to eliminate duplicates Z: 10 6.000 1.627 0.657 0.587 0.667 0.111 CA 1.024 10 residues pruned to eliminate duplicates Z: 21 18.214 1.905 0.641 0.552 0.900 0.450 CB 1.375 21 residues pruned to eliminate duplicates Z: 20 8.550 1.773 0.531 0.407 0.684 0.526 CA 1.165 20 residues pruned to eliminate duplicates Z: 34 19.979 1.852 0.715 0.464 0.879 0.485 CB 1.292 42 residues pruned to eliminate duplicates Z: 14 18.183 1.747 0.637 0.867 1.000 0.923 CA 1.290 14 residues pruned to eliminate duplicates Z: 19 16.118 1.961 0.514 0.510 0.944 0.556 CA 1.341 19 residues pruned to eliminate duplicates Z: 37 17.955 1.953 0.359 0.425 0.889 0.611 CB 1.371 37 residues pruned to eliminate duplicates Z: 25 13.120 1.809 0.535 0.386 0.875 0.708 CA 1.244 19 residues pruned to eliminate duplicates Z: 10 11.428 1.774 0.469 0.636 1.000 0.444 CB 1.287 10 residues pruned to eliminate duplicates Z: 15 10.390 1.911 0.486 0.425 0.857 0.429 CB 1.233 15 residues pruned to eliminate duplicates Z: 35 17.715 1.913 0.583 0.366 0.824 0.529 CA 1.407 35 residues pruned to eliminate duplicates Z: 16 14.288 1.865 0.835 0.311 0.933 0.667 CB 1.424 15 residues pruned to eliminate duplicates Z: 7 4.515 1.537 0.600 0.356 0.833 0.500 N 1.051 Z: 6 5.575 1.823 0.380 0.392 1.000 0.600 CA 1.112 6 residues pruned to eliminate duplicates Z: 18 10.179 1.779 0.621 0.288 0.882 0.471 CA 1.233 25 residues pruned to eliminate duplicates Z: 37 21.519 1.874 0.679 0.453 0.889 0.639 CA 1.345 37 residues pruned to eliminate duplicates Z: 14 13.637 1.913 0.670 0.326 1.000 0.538 CA 1.433 14 residues pruned to eliminate duplicates Z: 38 18.792 1.848 0.747 0.371 0.811 0.595 CA 1.356 38 residues pruned to eliminate duplicates Z: 14 11.940 1.923 0.661 0.330 0.923 0.538 CA 1.354 14 residues pruned to eliminate duplicates Z: 31 19.444 1.917 0.558 0.451 0.933 0.500 CB 1.340 31 residues pruned to eliminate duplicates Z: 30 21.575 1.894 0.690 0.491 0.931 0.621 CA 1.358 30 residues pruned to eliminate duplicates Z: 41 13.336 1.743 0.546 0.275 0.800 0.500 CB 1.262 41 residues pruned to eliminate duplicates Z: 15 17.979 2.005 0.698 0.469 1.000 0.714 CA 1.457 15 residues pruned to eliminate duplicates Z: 52 34.541 2.050 0.683 0.516 0.961 0.608 CB 1.436 52 residues pruned to eliminate duplicates Z: 16 16.054 1.907 0.909 0.435 0.867 0.667 CB 1.405 16 residues pruned to eliminate duplicates Z: 15 17.500 2.018 0.695 0.476 1.000 0.571 CA 1.400 15 residues pruned to eliminate duplicates Z: 26 21.126 2.011 0.827 0.362 0.920 0.600 CA 1.450 26 residues pruned to eliminate duplicates Z: 16 17.773 1.968 0.928 0.518 0.933 0.733 CA 1.273 16 residues pruned to eliminate duplicates Z: 20 19.225 2.023 0.828 0.463 0.895 0.474 CA 1.384 20 residues pruned to eliminate duplicates Z: 18 13.426 1.850 0.449 0.442 0.941 0.353 CA 1.370 18 residues pruned to eliminate duplicates Z: 15 16.252 1.989 0.720 0.394 1.000 0.571 CA 1.420 15 residues pruned to eliminate duplicates Z: 14 12.062 1.936 0.752 0.434 0.846 0.692 CA 1.248 14 residues pruned to eliminate duplicates Z: 15 15.619 1.994 0.715 0.430 0.929 0.571 CA 1.414 15 residues pruned to eliminate duplicates Z: 13 14.460 1.946 0.888 0.356 0.917 0.417 CA 1.448 13 residues pruned to eliminate duplicates Z: 25 18.959 2.027 0.657 0.340 0.917 0.458 CA 1.496 25 residues pruned to eliminate duplicates Z: 51 37.687 2.073 0.737 0.491 0.980 0.580 CA 1.524 51 residues pruned to eliminate duplicates Z: 21 16.138 2.002 0.658 0.412 0.850 0.550 CA 1.402 21 residues pruned to eliminate duplicates Z: 22 19.533 1.935 0.822 0.388 0.952 0.619 CA 1.429 22 residues pruned to eliminate duplicates Z: 60 33.954 2.063 0.680 0.455 0.881 0.475 CB 1.515 60 residues pruned to eliminate duplicates Z: 51 35.806 2.068 0.741 0.488 0.940 0.480 CB 1.516 51 residues pruned to eliminate duplicates Z: 26 23.981 2.037 0.851 0.389 0.960 0.600 CA 1.490 26 residues pruned to eliminate duplicates Z: 27 22.516 2.008 0.731 0.400 0.962 0.577 CA 1.468 27 residues pruned to eliminate duplicates Z: 51 34.110 2.059 0.700 0.493 0.940 0.580 CB 1.477 51 residues pruned to eliminate duplicates Z: 51 29.431 2.031 0.632 0.465 0.920 0.620 CB 1.414 51 residues pruned to eliminate duplicates Z: 25 20.076 2.000 0.809 0.362 0.917 0.583 CA 1.434 25 residues pruned to eliminate duplicates Z: 50 34.422 2.029 0.755 0.519 0.939 0.653 CA 1.443 50 residues pruned to eliminate duplicates Z: 50 30.225 2.050 0.644 0.506 0.878 0.490 CB 1.450 50 residues pruned to eliminate duplicates Z: 49 35.044 2.066 0.804 0.499 0.938 0.521 CB 1.449 49 residues pruned to eliminate duplicates Z: 80 35.080 2.041 0.614 0.452 0.886 0.544 CB 1.420 80 residues pruned to eliminate duplicates Z: 25 24.175 2.106 0.622 0.591 0.917 0.542 CB 1.445 25 residues pruned to eliminate duplicates Z: 30 27.056 2.092 0.634 0.494 0.966 0.448 CA 1.531 30 residues pruned to eliminate duplicates Z: 25 20.831 2.077 0.547 0.599 0.917 0.667 CA 1.314 25 residues pruned to eliminate duplicates Z: 50 33.763 2.067 0.664 0.518 0.918 0.510 CA 1.501 50 residues pruned to eliminate duplicates Z: 23 28.187 2.152 0.722 0.662 0.955 0.636 CA 1.461 23 residues pruned to eliminate duplicates Z: 60 38.577 2.075 0.740 0.473 0.949 0.542 CB 1.506 60 residues pruned to eliminate duplicates Z: 32 20.229 1.984 0.490 0.491 0.871 0.581 CB 1.424 32 residues pruned to eliminate duplicates Z: 29 22.860 2.056 0.649 0.534 0.857 0.571 CB 1.438 29 residues pruned to eliminate duplicates Z: 25 25.093 2.176 0.511 0.606 1.000 0.708 CA 1.409 25 residues pruned to eliminate duplicates Z: 26 21.420 2.091 0.499 0.570 0.920 0.640 CB 1.389 26 residues pruned to eliminate duplicates Z: 24 23.189 2.096 0.586 0.593 0.957 0.565 CA 1.391 24 residues pruned to eliminate duplicates Z: 24 25.642 2.143 0.562 0.643 1.000 0.652 CA 1.397 24 residues pruned to eliminate duplicates Z: 25 25.107 2.134 0.558 0.585 0.958 0.667 CA 1.482 25 residues pruned to eliminate duplicates Z: 47 29.910 2.024 0.543 0.521 1.000 0.500 CB 1.383 47 residues pruned to eliminate duplicates Z: 52 35.626 2.035 0.786 0.487 0.961 0.510 CB 1.447 52 residues pruned to eliminate duplicates Z: 35 25.752 2.077 0.521 0.478 0.971 0.500 CA 1.473 35 residues pruned to eliminate duplicates Z: 31 22.537 1.954 0.591 0.502 0.933 0.567 CA 1.415 31 residues pruned to eliminate duplicates Z: 27 29.360 2.165 0.666 0.590 0.962 0.500 CA 1.523 27 residues pruned to eliminate duplicates Z: 34 29.064 2.034 0.770 0.530 0.909 0.455 CA 1.500 34 residues pruned to eliminate duplicates Z: 31 20.504 1.933 0.681 0.393 0.833 0.533 CB 1.549 31 residues pruned to eliminate duplicates Z: 12 10.043 1.833 0.603 0.311 0.818 0.636 CB 1.554 12 residues pruned to eliminate duplicates Z: 14 16.712 2.022 0.662 0.378 1.000 0.692 CB 1.571 14 residues pruned to eliminate duplicates Z: 40 21.210 1.984 0.455 0.441 0.923 0.538 CB 1.356 40 residues pruned to eliminate duplicates Z: 36 21.733 1.950 0.616 0.487 0.829 0.486 CB 1.425 36 residues pruned to eliminate duplicates Z: 46 21.359 1.922 0.486 0.431 0.889 0.556 CB 1.347 46 residues pruned to eliminate duplicates Z: 61 32.861 2.044 0.738 0.426 0.867 0.517 CB 1.487 61 residues pruned to eliminate duplicates Z: 32 18.975 2.033 0.476 0.436 0.871 0.516 CB 1.394 32 residues pruned to eliminate duplicates Z: 61 37.278 2.021 0.716 0.487 0.950 0.583 CA 1.481 61 residues pruned to eliminate duplicates Z: 53 36.276 2.074 0.626 0.575 0.942 0.558 CB 1.473 53 residues pruned to eliminate duplicates Z: 32 24.330 2.020 0.690 0.454 0.935 0.581 CB 1.435 32 residues pruned to eliminate duplicates Z: 60 34.360 2.016 0.595 0.514 0.949 0.610 CB 1.445 60 residues pruned to eliminate duplicates Z: 50 34.296 2.063 0.632 0.559 0.939 0.592 CB 1.463 50 residues pruned to eliminate duplicates Z: 87 44.366 2.048 0.681 0.500 0.942 0.628 CA 1.476 87 residues pruned to eliminate duplicates Z: 27 17.508 2.006 0.390 0.561 0.885 0.654 CB 1.311 27 residues pruned to eliminate duplicates Z: 21 16.188 2.030 0.239 0.660 0.950 0.550 CB 1.306 21 residues pruned to eliminate duplicates Z: 35 22.630 1.981 0.423 0.523 0.912 0.588 CB 1.476 35 residues pruned to eliminate duplicates Z: 22 17.389 2.001 0.423 0.592 0.905 0.619 CB 1.350 22 residues pruned to eliminate duplicates Z: 38 23.779 1.972 0.520 0.492 0.919 0.595 CB 1.430 38 residues pruned to eliminate duplicates Z: 26 19.657 2.032 0.537 0.588 0.920 0.640 CB 1.258 26 residues pruned to eliminate duplicates Z: 23 14.479 1.942 0.364 0.601 0.909 0.636 CA 1.165 23 residues pruned to eliminate duplicates Z: 20 16.459 1.983 0.297 0.660 0.947 0.684 CA 1.336 20 residues pruned to eliminate duplicates Z: 21 16.843 2.044 0.551 0.570 0.850 0.600 CB 1.305 21 residues pruned to eliminate duplicates Z: 37 24.769 1.963 0.609 0.507 0.944 0.583 CB 1.373 37 residues pruned to eliminate duplicates Z: 26 17.802 1.994 0.612 0.571 0.960 0.600 CB 1.077 26 residues pruned to eliminate duplicates Z: 34 24.344 2.026 0.674 0.488 0.909 0.545 CB 1.391 34 residues pruned to eliminate duplicates Z: 30 17.027 1.963 0.638 0.522 0.931 0.448 CB 1.034 30 residues pruned to eliminate duplicates Z: 18 20.932 2.107 0.683 0.695 1.000 0.647 CB 1.199 18 residues pruned to eliminate duplicates Z: 20 15.367 2.032 0.471 0.596 0.895 0.526 CB 1.203 20 residues pruned to eliminate duplicates Z: 35 26.414 2.011 0.643 0.532 0.941 0.588 CB 1.411 35 residues pruned to eliminate duplicates Z: 43 21.877 1.969 0.665 0.421 0.881 0.524 CB 1.269 43 residues pruned to eliminate duplicates Z: 22 19.540 2.027 0.747 0.611 0.857 0.476 CB 1.265 22 residues pruned to eliminate duplicates Z: 37 14.825 1.885 0.337 0.413 0.889 0.667 CB 1.209 37 residues pruned to eliminate duplicates Z: 57 32.216 2.008 0.701 0.543 0.929 0.589 CB 1.302 57 residues pruned to eliminate duplicates Z: 7 8.235 1.915 0.840 0.583 1.000 0.667 CB 0.881 7 residues pruned to eliminate duplicates Z: 6 5.420 2.029 0.910 0.607 0.800 0.600 CB 0.706 6 residues pruned to eliminate duplicates Z: 6 4.515 2.038 0.682 0.582 0.800 0.600 CB 0.680 6 residues pruned to eliminate duplicates Z: 7 4.260 1.913 0.685 0.526 0.833 0.667 CB 0.631 7 residues pruned to eliminate duplicates Z: 6 6.892 1.894 0.269 0.598 1.000 0.800 CB 1.167 6 residues pruned to eliminate duplicates Z: 42 25.065 1.994 0.716 0.498 0.878 0.488 CB 1.306 42 residues pruned to eliminate duplicates Z: 8 3.360 1.882 0.644 0.423 0.714 0.429 CB 0.622 8 residues pruned to eliminate duplicates Z: 27 23.617 1.995 0.669 0.617 0.885 0.500 CB 1.407 27 residues pruned to eliminate duplicates Z: 49 25.595 1.986 0.509 0.592 0.875 0.542 CB 1.291 49 residues pruned to eliminate duplicates Z: 19 23.061 2.086 0.461 0.709 1.000 0.778 CA 1.475 19 residues pruned to eliminate duplicates Z: 20 23.405 1.984 0.674 0.643 0.947 0.632 CA 1.493 20 residues pruned to eliminate duplicates Z: 68 40.667 2.044 0.729 0.585 0.910 0.552 CA 1.424 68 residues pruned to eliminate duplicates Z: 49 37.497 2.083 0.786 0.651 0.875 0.542 CB 1.445 49 residues pruned to eliminate duplicates Z: 38 32.848 2.090 0.716 0.644 0.946 0.514 CA 1.391 38 residues pruned to eliminate duplicates Z: 17 23.869 2.133 0.707 0.759 0.875 0.625 CA 1.488 17 residues pruned to eliminate duplicates Z: 50 36.225 2.068 0.639 0.629 0.939 0.592 CB 1.440 50 residues pruned to eliminate duplicates Z: 28 21.116 1.969 0.593 0.604 0.852 0.519 CA 1.378 28 residues pruned to eliminate duplicates Z: 18 22.764 2.068 0.656 0.718 0.941 0.529 CA 1.406 18 residues pruned to eliminate duplicates Z: 19 26.394 2.067 0.683 0.725 1.000 0.778 CA 1.460 19 residues pruned to eliminate duplicates Z: 37 25.114 2.116 0.708 0.619 0.722 0.361 CB 1.432 37 residues pruned to eliminate duplicates Z: 32 28.456 2.084 0.833 0.582 0.871 0.355 CA 1.419 32 residues pruned to eliminate duplicates Z: 32 33.709 2.138 0.849 0.582 0.903 0.613 CA 1.567 32 residues pruned to eliminate duplicates Z: 43 29.881 2.102 0.740 0.590 0.810 0.429 CB 1.428 43 residues pruned to eliminate duplicates Z: 32 31.872 2.106 0.841 0.556 0.903 0.387 CA 1.547 32 residues pruned to eliminate duplicates Z: 62 30.635 1.965 0.729 0.543 0.820 0.475 CB 1.350 62 residues pruned to eliminate duplicates Z: 54 26.363 1.991 0.627 0.470 0.830 0.415 CB 1.388 54 residues pruned to eliminate duplicates Z: 34 29.343 2.082 0.673 0.545 0.939 0.545 CA 1.493 34 residues pruned to eliminate duplicates Z: 33 31.751 2.099 0.810 0.562 0.938 0.500 CA 1.484 33 residues pruned to eliminate duplicates Z: 38 22.951 2.017 0.655 0.533 0.838 0.514 CB 1.306 38 residues pruned to eliminate duplicates Z: 48 32.317 2.064 0.650 0.593 0.851 0.426 CB 1.488 48 residues pruned to eliminate duplicates Z: 44 34.268 2.092 0.730 0.627 0.860 0.512 CA 1.489 44 residues pruned to eliminate duplicates Z: 38 31.190 2.122 0.720 0.580 0.838 0.541 CB 1.552 38 residues pruned to eliminate duplicates Z: 46 35.721 2.075 0.734 0.641 0.889 0.489 CB 1.458 46 residues pruned to eliminate duplicates Z: 23 22.164 2.091 0.692 0.598 0.909 0.591 CB 1.338 23 residues pruned to eliminate duplicates Z: 55 29.231 2.010 0.680 0.557 0.833 0.444 CB 1.337 55 residues pruned to eliminate duplicates Z: 49 33.701 2.062 0.811 0.589 0.854 0.500 CB 1.400 49 residues pruned to eliminate duplicates Z: 38 19.582 2.010 0.535 0.504 0.838 0.405 CB 1.240 38 residues pruned to eliminate duplicates Z: 49 33.940 2.056 0.759 0.605 0.854 0.396 CB 1.435 49 residues pruned to eliminate duplicates Z: 53 31.950 2.029 0.768 0.585 0.865 0.365 CB 1.315 53 residues pruned to eliminate duplicates Z: 50 33.359 2.041 0.702 0.541 0.898 0.408 CB 1.467 50 residues pruned to eliminate duplicates Z: 41 34.705 2.107 0.867 0.621 0.850 0.375 CB 1.464 41 residues pruned to eliminate duplicates Z: 26 19.226 2.004 0.780 0.528 0.840 0.480 CB 1.248 26 residues pruned to eliminate duplicates Z: 16 16.272 1.954 0.817 0.626 0.933 0.200 CB 1.126 16 residues pruned to eliminate duplicates Z: 57 35.942 2.063 0.748 0.582 0.875 0.536 CB 1.407 57 residues pruned to eliminate duplicates Z: 52 35.977 2.061 0.717 0.578 0.902 0.490 CB 1.465 52 residues pruned to eliminate duplicates Z: 37 23.788 2.020 0.743 0.531 0.861 0.556 CB 1.268 37 residues pruned to eliminate duplicates Z: 25 15.780 1.949 0.621 0.544 0.833 0.417 CB 1.172 25 residues pruned to eliminate duplicates Z: 45 28.574 2.031 0.771 0.509 0.795 0.477 CA 1.492 45 residues pruned to eliminate duplicates Z: 56 33.908 1.999 0.713 0.537 0.873 0.527 CB 1.476 56 residues pruned to eliminate duplicates Z: 77 39.626 2.028 0.689 0.521 0.882 0.566 CA 1.474 77 residues pruned to eliminate duplicates Z: 39 19.127 1.931 0.540 0.393 0.895 0.526 CB 1.305 39 residues pruned to eliminate duplicates Z: 24 17.274 1.945 0.725 0.484 0.913 0.609 CB 1.195 24 residues pruned to eliminate duplicates Z: 10 7.941 1.915 0.564 0.477 0.778 0.556 CB 1.163 10 residues pruned to eliminate duplicates Z: 11 10.103 1.862 0.696 0.514 0.900 0.500 CB 1.109 11 residues pruned to eliminate duplicates Z: 25 17.394 1.946 0.503 0.552 0.875 0.583 CA 1.319 25 residues pruned to eliminate duplicates Z: 8 7.728 1.940 0.225 0.614 1.000 0.571 CB 1.104 8 residues pruned to eliminate duplicates Z: 67 33.181 1.973 0.677 0.482 0.924 0.515 CB 1.360 67 residues pruned to eliminate duplicates Z: 37 21.028 1.958 0.452 0.470 0.889 0.583 CB 1.430 37 residues pruned to eliminate duplicates Z: 39 20.132 1.927 0.611 0.450 0.868 0.447 CB 1.275 39 residues pruned to eliminate duplicates Z: 39 22.132 1.940 0.593 0.443 0.868 0.579 CB 1.419 39 residues pruned to eliminate duplicates Z: 32 21.909 2.022 0.498 0.438 0.935 0.548 CA 1.481 32 residues pruned to eliminate duplicates Z: 14 20.270 1.914 0.740 0.771 1.000 0.615 CA 1.328 14 residues pruned to eliminate duplicates Z: 29 23.916 2.002 0.570 0.457 0.964 0.679 CA 1.559 29 residues pruned to eliminate duplicates Z: 36 21.242 1.973 0.538 0.441 0.857 0.571 CA 1.467 36 residues pruned to eliminate duplicates Z: 33 23.159 2.009 0.598 0.422 0.938 0.531 CA 1.475 33 residues pruned to eliminate duplicates Z: 76 39.128 2.008 0.693 0.477 0.933 0.453 CA 1.457 76 residues pruned to eliminate duplicates Z: 14 15.043 1.851 0.566 0.802 1.000 0.308 CA 1.105 14 residues pruned to eliminate duplicates Z: 29 24.690 2.021 0.693 0.467 0.929 0.500 CA 1.519 29 residues pruned to eliminate duplicates Z: 15 17.876 1.835 0.608 0.778 1.000 0.500 CA 1.267 15 residues pruned to eliminate duplicates Z: 34 23.659 2.036 0.533 0.460 0.909 0.667 CA 1.512 34 residues pruned to eliminate duplicates Z: 33 20.476 1.967 0.597 0.410 0.875 0.531 CA 1.446 33 residues pruned to eliminate duplicates Z: 33 20.407 1.975 0.496 0.441 0.875 0.531 CA 1.482 33 residues pruned to eliminate duplicates Z: 38 25.494 1.949 0.658 0.462 0.919 0.595 CA 1.466 38 residues pruned to eliminate duplicates Z: 28 23.855 2.011 0.632 0.468 0.926 0.630 CA 1.561 29 residues pruned to eliminate duplicates Z: 6 4.052 1.406 0.638 0.422 0.800 0.800 N 1.067 6 residues pruned to eliminate duplicates Z: 35 19.534 1.978 0.469 0.478 0.853 0.559 CA 1.382 35 residues pruned to eliminate duplicates Z: 39 21.303 1.948 0.598 0.423 0.868 0.658 CA 1.384 38 residues pruned to eliminate duplicates Z: 6 5.459 1.579 0.863 0.296 0.800 0.600 CB 1.303 Z: 10 10.532 1.724 0.427 0.620 1.000 0.778 CA 1.274 15 residues pruned to eliminate duplicates Z: 8 6.899 1.693 0.348 0.521 0.857 0.714 N 1.306 8 residues pruned to eliminate duplicates Z: 38 22.365 1.950 0.444 0.483 0.892 0.514 CA 1.491 38 residues pruned to eliminate duplicates Z: 33 15.334 1.922 0.472 0.312 0.781 0.531 CB 1.510 33 residues pruned to eliminate duplicates Z: 16 10.860 1.887 0.541 0.267 0.867 0.533 CA 1.452 16 residues pruned to eliminate duplicates Z: 41 17.469 1.911 0.443 0.334 0.875 0.450 CA 1.373 41 residues pruned to eliminate duplicates Z: 13 11.448 1.815 0.447 0.738 0.917 0.750 CA 1.109 13 residues pruned to eliminate duplicates Z: 15 11.421 1.733 0.410 0.659 0.857 0.357 CA 1.257 15 residues pruned to eliminate duplicates Z: 22 9.204 1.701 0.472 0.623 0.762 0.524 CB 0.937 22 residues pruned to eliminate duplicates Z: 11 10.988 1.873 0.415 0.692 0.800 0.500 CA 1.374 11 residues pruned to eliminate duplicates Z: 15 12.066 1.767 0.358 0.691 0.929 0.429 CB 1.215 15 residues pruned to eliminate duplicates Z: 14 11.710 1.743 0.467 0.715 0.846 0.692 CB 1.235 14 residues pruned to eliminate duplicates Z: 13 10.964 1.784 0.321 0.780 0.917 0.667 CA 1.145 13 residues pruned to eliminate duplicates Z: 14 12.417 1.752 0.377 0.715 0.923 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 12 13.409 1.922 0.372 0.798 0.909 0.818 CA 1.299 12 residues pruned to eliminate duplicates Z: 18 14.758 1.773 0.523 0.726 0.941 0.706 CA 1.149 18 residues pruned to eliminate duplicates Z: 8 10.281 1.936 0.488 0.830 0.857 0.571 CA 1.183 8 residues pruned to eliminate duplicates Z: 9 10.548 1.829 0.495 0.704 1.000 0.375 CA 1.133 8 residues pruned to eliminate duplicates Z: 15 13.383 1.766 0.254 0.855 1.000 0.857 CB 1.193 15 residues pruned to eliminate duplicates Z: 15 14.789 1.831 0.518 0.813 0.929 0.714 CB 1.166 15 residues pruned to eliminate duplicates Z: 23 12.861 1.819 0.273 0.566 0.818 0.636 CB 1.358 23 residues pruned to eliminate duplicates Z: 51 26.063 1.828 0.562 0.578 0.880 0.460 CB 1.360 51 residues pruned to eliminate duplicates Z: 27 12.937 1.741 0.416 0.590 0.846 0.577 CB 1.117 27 residues pruned to eliminate duplicates Z: 11 16.601 1.939 0.651 0.804 0.900 0.500 CB 1.397 11 residues pruned to eliminate duplicates Z: 29 20.546 1.859 0.468 0.567 0.929 0.679 CB 1.436 29 residues pruned to eliminate duplicates Z: 13 11.477 1.815 0.532 0.746 0.750 0.417 CB 1.275 13 residues pruned to eliminate duplicates Z: 11 12.245 1.865 0.333 0.785 0.900 0.400 CB 1.347 11 residues pruned to eliminate duplicates Z: 36 13.748 1.743 0.430 0.460 0.829 0.429 CB 1.172 36 residues pruned to eliminate duplicates Z: 17 11.825 1.710 0.779 0.534 0.812 0.250 CB 1.157 17 residues pruned to eliminate duplicates Z: 22 10.446 1.617 0.536 0.516 0.810 0.667 CB 1.115 22 residues pruned to eliminate duplicates Z: 76 30.008 1.957 0.499 0.533 0.907 0.547 CB 1.262 76 residues pruned to eliminate duplicates Z: 27 14.885 1.778 0.420 0.511 0.846 0.500 CB 1.352 27 residues pruned to eliminate duplicates Z: 62 27.069 1.889 0.605 0.481 0.852 0.525 CB 1.368 62 residues pruned to eliminate duplicates Z: 6 4.563 1.607 0.685 0.550 0.600 0.600 O 1.197 Z: 8 4.209 1.322 0.449 0.500 1.000 0.571 CA 0.830 Z: 7 5.437 1.386 1.023 0.296 1.000 0.667 N 0.995 7 residues pruned to eliminate duplicates Z: 27 14.731 1.829 0.659 0.347 0.846 0.500 CA 1.328 27 residues pruned to eliminate duplicates Z: 10 10.243 1.833 0.939 0.372 0.889 0.889 CA 1.240 10 residues pruned to eliminate duplicates Z: 26 13.605 1.801 0.599 0.377 0.800 0.480 CA 1.347 26 residues pruned to eliminate duplicates Z: 44 19.073 1.946 0.542 0.333 0.907 0.419 CB 1.284 44 residues pruned to eliminate duplicates Z: 78 35.250 1.991 0.642 0.498 0.922 0.571 CB 1.335 78 residues pruned to eliminate duplicates Z: 9 7.053 1.958 0.286 0.414 0.875 0.750 CB 1.238 Z: 6 4.079 1.843 0.589 0.385 0.800 0.400 CB 0.880 5 residues pruned to eliminate duplicates Z: 6 3.848 1.555 0.144 0.439 1.000 0.600 CA 1.030 6 residues pruned to eliminate duplicates Z: 9 10.154 1.698 0.480 0.674 1.000 0.750 CA 1.217 8 residues pruned to eliminate duplicates Z: 8 6.034 1.765 0.344 0.500 0.857 0.571 CB 1.122 8 residues pruned to eliminate duplicates Z: 8 9.506 1.863 0.360 0.698 1.000 0.857 CA 1.183 8 residues pruned to eliminate duplicates Z: 10 8.336 1.824 0.345 0.501 0.889 0.556 CB 1.273 10 residues pruned to eliminate duplicates Z: 7 8.357 1.939 0.374 0.562 1.000 0.500 CB 1.206 7 residues pruned to eliminate duplicates Z: 9 11.817 1.779 0.707 0.633 1.000 0.375 CA 1.214 8 residues pruned to eliminate duplicates Z: 7 12.262 1.963 0.620 0.766 1.000 0.667 CA 1.243 7 residues pruned to eliminate duplicates Z: 14 10.034 1.732 0.696 0.497 0.769 0.538 CB 1.236 14 residues pruned to eliminate duplicates Z: 15 12.965 1.730 0.606 0.520 0.929 0.571 CA 1.317 15 residues pruned to eliminate duplicates Z: 17 11.626 1.736 0.705 0.525 0.750 0.562 CB 1.278 17 residues pruned to eliminate duplicates Z: 15 11.575 1.743 0.666 0.519 0.857 0.500 CA 1.219 15 residues pruned to eliminate duplicates Z: 17 10.888 1.685 0.639 0.455 0.875 0.625 CA 1.179 17 residues pruned to eliminate duplicates Z: 17 8.136 1.615 0.520 0.396 0.875 0.500 CA 1.057 17 residues pruned to eliminate duplicates Z: 17 10.623 1.736 0.472 0.540 0.812 0.500 CB 1.229 17 residues pruned to eliminate duplicates Z: 28 13.250 1.748 0.367 0.458 0.852 0.519 CB 1.308 28 residues pruned to eliminate duplicates Z: 20 10.432 1.587 0.391 0.462 0.947 0.474 CA 1.190 20 residues pruned to eliminate duplicates Z: 15 12.073 1.724 0.435 0.487 1.000 0.571 CA 1.322 15 residues pruned to eliminate duplicates Z: 26 11.889 1.725 0.404 0.408 0.880 0.680 CB 1.229 26 residues pruned to eliminate duplicates Z: 28 12.210 1.717 0.377 0.343 0.926 0.481 CB 1.274 28 residues pruned to eliminate duplicates Z: 24 11.100 1.735 0.277 0.412 0.913 0.565 CB 1.254 24 residues pruned to eliminate duplicates Z: 24 15.158 1.778 0.590 0.463 0.913 0.565 CB 1.272 24 residues pruned to eliminate duplicates Z: 24 12.235 1.727 0.411 0.485 0.870 0.696 CB 1.222 24 residues pruned to eliminate duplicates Z: 17 8.263 1.748 0.574 0.356 0.812 0.500 CB 1.080 17 residues pruned to eliminate duplicates Z: 80 33.932 1.948 0.520 0.530 0.949 0.595 CB 1.319 80 residues pruned to eliminate duplicates Z: 11 5.339 1.798 0.331 0.281 0.800 0.500 CB 1.129 11 residues pruned to eliminate duplicates Z: 71 28.572 1.957 0.491 0.500 0.943 0.543 CB 1.241 71 residues pruned to eliminate duplicates Z: 16 4.710 1.641 0.435 0.177 0.800 0.467 CB 0.953 16 residues pruned to eliminate duplicates Z: 31 18.461 1.881 0.584 0.485 0.933 0.567 CB 1.230 31 residues pruned to eliminate duplicates Z: 52 24.408 1.990 0.446 0.465 0.922 0.549 CB 1.335 52 residues pruned to eliminate duplicates Z: 59 21.565 1.898 0.445 0.418 0.845 0.534 CB 1.331 59 residues pruned to eliminate duplicates Z: 22 18.645 1.956 0.455 0.594 1.000 0.619 CB 1.307 22 residues pruned to eliminate duplicates Z: 46 21.945 1.966 0.586 0.412 0.889 0.533 CB 1.295 46 residues pruned to eliminate duplicates Z: 54 21.545 1.921 0.443 0.412 0.925 0.566 CB 1.267 54 residues pruned to eliminate duplicates Z: 64 32.824 2.012 0.565 0.557 0.937 0.635 CB 1.327 64 residues pruned to eliminate duplicates Z: 54 24.118 1.980 0.399 0.474 0.925 0.528 CB 1.328 54 residues pruned to eliminate duplicates Z: 26 20.010 1.947 0.557 0.534 0.920 0.440 CB 1.388 26 residues pruned to eliminate duplicates Z: 26 19.218 1.881 0.701 0.529 0.880 0.640 CB 1.327 26 residues pruned to eliminate duplicates Z: 39 24.720 1.991 0.479 0.501 0.947 0.605 CB 1.436 39 residues pruned to eliminate duplicates Z: 45 26.432 1.983 0.583 0.471 0.932 0.591 CB 1.403 45 residues pruned to eliminate duplicates Z: 27 24.660 2.000 0.615 0.556 0.962 0.615 CB 1.476 27 residues pruned to eliminate duplicates Z: 29 22.569 1.934 0.615 0.548 0.929 0.571 CB 1.404 29 residues pruned to eliminate duplicates Z: 38 25.094 2.017 0.455 0.502 1.000 0.595 CB 1.403 38 residues pruned to eliminate duplicates Z: 14 15.996 1.995 0.680 0.690 0.846 0.538 CA 1.314 14 residues pruned to eliminate duplicates Z: 38 24.147 1.976 0.547 0.505 0.946 0.568 CB 1.366 38 residues pruned to eliminate duplicates Z: 40 24.313 1.980 0.513 0.422 0.949 0.487 CB 1.486 40 residues pruned to eliminate duplicates Z: 65 32.338 2.017 0.541 0.475 0.953 0.531 CB 1.399 65 residues pruned to eliminate duplicates Z: 25 21.986 2.014 0.526 0.565 0.917 0.667 CB 1.496 25 residues pruned to eliminate duplicates Z: 55 29.300 2.021 0.434 0.544 0.926 0.630 CB 1.423 55 residues pruned to eliminate duplicates Z: 40 24.535 1.960 0.428 0.500 1.000 0.692 CB 1.403 40 residues pruned to eliminate duplicates Z: 37 26.959 2.040 0.576 0.484 0.972 0.583 CB 1.460 37 residues pruned to eliminate duplicates Z: 40 23.221 1.969 0.509 0.483 0.923 0.590 CA 1.379 40 residues pruned to eliminate duplicates Z: 54 36.445 2.061 0.650 0.568 0.906 0.585 CA 1.522 54 residues pruned to eliminate duplicates Z: 45 29.280 1.995 0.557 0.552 0.955 0.659 CB 1.415 45 residues pruned to eliminate duplicates Z: 33 21.421 1.988 0.487 0.463 0.938 0.531 CB 1.419 33 residues pruned to eliminate duplicates Z: 66 33.451 2.011 0.489 0.539 0.954 0.646 CB 1.398 66 residues pruned to eliminate duplicates Z: 36 25.943 2.058 0.486 0.508 0.943 0.714 CA 1.509 36 residues pruned to eliminate duplicates Z: 48 28.129 2.005 0.513 0.471 0.979 0.553 CB 1.424 48 residues pruned to eliminate duplicates Z: 37 25.793 2.044 0.567 0.493 0.917 0.528 CB 1.475 37 residues pruned to eliminate duplicates Z: 37 28.831 2.049 0.607 0.506 0.972 0.556 CA 1.493 37 residues pruned to eliminate duplicates Z: 50 24.901 1.935 0.493 0.397 0.959 0.551 CB 1.431 50 residues pruned to eliminate duplicates Z: 33 23.844 2.045 0.475 0.496 0.938 0.500 CB 1.498 33 residues pruned to eliminate duplicates Z: 32 24.714 1.993 0.583 0.537 0.935 0.645 CB 1.451 32 residues pruned to eliminate duplicates Z: 48 24.845 1.987 0.491 0.471 0.936 0.553 CB 1.346 48 residues pruned to eliminate duplicates Z: 47 28.752 1.992 0.568 0.513 0.913 0.522 CA 1.468 47 residues pruned to eliminate duplicates Z: 55 38.330 2.052 0.608 0.582 0.963 0.593 CB 1.518 54 residues pruned to eliminate duplicates Z: 7 5.177 1.528 0.744 0.406 0.833 0.167 CA 1.050 7 residues pruned to eliminate duplicates Z: 43 29.853 2.046 0.547 0.486 0.976 0.500 CB 1.513 43 residues pruned to eliminate duplicates Z: 33 21.300 1.971 0.491 0.522 0.906 0.562 CB 1.384 33 residues pruned to eliminate duplicates Z: 63 36.638 2.023 0.566 0.586 0.919 0.613 CA 1.470 63 residues pruned to eliminate duplicates Z: 15 19.950 1.977 0.514 0.739 1.000 0.714 CA 1.438 15 residues pruned to eliminate duplicates Z: 44 32.053 2.029 0.611 0.541 0.977 0.698 CB 1.471 44 residues pruned to eliminate duplicates Z: 52 28.349 1.942 0.582 0.509 0.902 0.549 CB 1.420 52 residues pruned to eliminate duplicates Z: 54 33.714 2.039 0.476 0.575 0.962 0.547 CA 1.487 54 residues pruned to eliminate duplicates Z: 55 35.985 2.013 0.561 0.600 0.963 0.574 CB 1.471 55 residues pruned to eliminate duplicates Z: 54 37.886 2.058 0.621 0.589 0.981 0.623 CB 1.460 54 residues pruned to eliminate duplicates Z: 8 26.077 2.252 0.836 0.811 1.000 0.857 CA 1.819 9 residues pruned to eliminate duplicates Z: 10 21.214 2.149 0.759 0.821 0.889 0.222 CA 1.594 10 residues pruned to eliminate duplicates Z: 65 35.889 2.001 0.623 0.535 0.938 0.469 CB 1.423 65 residues pruned to eliminate duplicates Z: 10 28.897 2.225 0.993 0.796 1.000 0.111 CB 1.676 10 residues pruned to eliminate duplicates Z: 13 5.331 1.644 0.438 0.490 0.750 0.500 CB 0.877 11 residues pruned to eliminate duplicates Z: 12 31.260 2.156 0.965 0.915 1.000 0.545 CB 1.572 12 residues pruned to eliminate duplicates 977 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 6 D: 8 E: 12 F: 120 G: 70 H: 12 I: 141 J: 38 K: 192 L: 21 M: 38 N: 173 O: 14 P: 9 Q: 8 R: 102 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 51.29 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.367, Connect. = 0.692 for dens.mod. cycle 1 = 0.300, Contrast = 0.433, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.512, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.522, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.532, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.535, Connect. = 0.764 for dens.mod. cycle 6 = 0.300, Contrast = 0.539, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.541, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.543, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.544, Connect. = 0.768 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5406 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1294 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 14.917 2.092 0.321 0.906 1.000 0.636 CB 1.157 B: 14 27.644 2.125 0.683 0.885 1.000 0.769 CA 1.548 C: 12 17.576 2.064 0.660 0.865 1.000 0.636 CB 1.133 12 residues pruned to eliminate duplicates D: 15 28.524 2.138 0.757 0.858 1.000 0.429 CA 1.494 E: 14 19.798 2.172 0.168 0.924 1.000 0.923 CA 1.520 14 residues pruned to eliminate duplicates F: 14 21.214 2.016 0.564 0.888 0.923 0.769 CA 1.457 G: 14 27.975 2.113 0.844 0.870 0.923 0.692 CA 1.574 14 residues pruned to eliminate duplicates H: 15 16.681 1.979 0.374 0.827 0.929 0.357 CB 1.330 I: 16 17.414 1.956 0.219 0.821 1.000 0.733 CA 1.428 J: 15 20.445 1.924 0.659 0.907 0.929 0.714 CA 1.311 K: 14 25.093 2.121 0.665 0.843 1.000 0.462 CA 1.467 14 residues pruned to eliminate duplicates L: 15 32.907 2.154 0.800 0.903 1.000 0.857 CA 1.617 14 residues pruned to eliminate duplicates M: 13 16.595 2.079 0.461 0.885 1.000 0.417 CB 1.138 12 residues pruned to eliminate duplicates N: 14 25.962 2.062 0.804 0.857 1.000 0.692 CA 1.427 14 residues pruned to eliminate duplicates O: 17 27.454 1.957 0.772 0.833 1.000 0.625 CA 1.484 16 residues pruned to eliminate duplicates P: 12 22.423 2.170 0.516 0.903 1.000 0.909 CA 1.465 Q: 13 18.399 2.018 0.516 0.898 0.917 0.667 CB 1.356 R: 16 19.882 1.993 0.562 0.805 0.933 0.467 CA 1.354 16 residues pruned to eliminate duplicates S: 24 15.364 1.766 0.850 0.456 0.870 0.609 CA 1.180 T: 16 25.927 1.944 0.857 0.855 1.000 0.600 CA 1.369 15 residues pruned to eliminate duplicates U: 10 17.586 2.061 0.564 0.796 1.000 0.778 CA 1.403 10 residues pruned to eliminate duplicates V: 16 34.807 2.175 1.057 0.911 1.000 0.800 CB 1.424 W: 9 20.840 2.072 1.168 0.889 1.000 0.625 CB 1.181 X: 13 24.795 2.163 0.454 0.897 1.000 0.917 CA 1.630 15 residues pruned to eliminate duplicates Y: 15 32.368 2.239 0.963 0.880 1.000 0.571 CB 1.426 15 residues pruned to eliminate duplicates Z: 17 27.286 2.043 0.700 0.869 1.000 0.750 CA 1.435 16 residues pruned to eliminate duplicates Z: 13 20.125 2.152 0.324 0.885 0.917 0.833 CA 1.605 13 residues pruned to eliminate duplicates Z: 14 21.594 2.010 0.411 0.865 1.000 0.769 CA 1.547 14 residues pruned to eliminate duplicates Z: 13 26.271 2.138 0.789 0.872 0.917 0.833 CB 1.576 12 residues pruned to eliminate duplicates Z: 6 11.540 1.954 0.378 0.824 1.000 0.600 CA 1.447 Z: 6 15.578 1.995 0.868 0.856 1.000 0.600 CA 1.379 5 residues pruned to eliminate duplicates Z: 16 21.893 1.990 0.506 0.813 1.000 0.667 CA 1.436 16 residues pruned to eliminate duplicates Z: 15 25.541 2.037 0.637 0.877 1.000 0.786 CA 1.486 15 residues pruned to eliminate duplicates Z: 13 27.392 2.188 0.670 0.879 1.000 0.667 CA 1.568 13 residues pruned to eliminate duplicates Z: 14 15.653 1.986 0.444 0.842 0.846 0.769 CA 1.333 14 residues pruned to eliminate duplicates Z: 17 18.556 1.985 0.496 0.743 0.938 0.750 CA 1.340 Z: 13 28.698 2.101 1.006 0.885 0.917 0.667 CB 1.548 13 residues pruned to eliminate duplicates Z: 15 23.902 2.115 0.339 0.869 1.000 0.786 CA 1.648 15 residues pruned to eliminate duplicates Z: 17 19.815 2.003 0.441 0.914 1.000 0.750 CA 1.214 Z: 14 18.835 2.078 0.288 0.866 0.923 0.692 CA 1.548 14 residues pruned to eliminate duplicates Z: 12 17.084 2.011 0.443 0.766 1.000 0.636 CA 1.402 Z: 16 31.319 2.222 0.737 0.901 0.933 0.667 CB 1.603 Z: 12 28.778 2.159 0.810 0.904 1.000 0.455 CB 1.582 12 residues pruned to eliminate duplicates Z: 8 14.610 2.034 0.566 0.908 1.000 0.857 CA 1.231 Z: 14 25.740 2.035 0.872 0.906 0.923 0.615 CA 1.444 14 residues pruned to eliminate duplicates Z: 13 20.927 2.028 0.803 0.879 1.000 0.750 CB 1.198 13 residues pruned to eliminate duplicates Z: 17 27.574 2.168 0.570 0.886 0.938 0.562 CA 1.559 17 residues pruned to eliminate duplicates Z: 12 15.811 1.957 0.362 0.894 1.000 0.727 CA 1.283 Z: 12 24.838 1.843 1.194 0.825 1.000 0.545 CA 1.398 Z: 18 25.359 2.056 0.650 0.816 0.941 0.471 CB 1.464 17 residues pruned to eliminate duplicates Z: 13 24.494 2.111 0.571 0.881 1.000 0.833 CB 1.545 13 residues pruned to eliminate duplicates Z: 16 22.464 2.054 0.479 0.908 1.000 0.867 CA 1.356 16 residues pruned to eliminate duplicates Z: 15 18.264 1.891 0.456 0.851 1.000 0.500 CB 1.313 Z: 13 12.189 1.847 0.507 0.435 0.917 0.750 CB 1.475 Z: 10 18.128 1.891 0.944 0.799 0.889 0.778 CB 1.424 Z: 13 14.963 2.128 0.025 0.885 1.000 1.000 CA 1.429 13 residues pruned to eliminate duplicates Z: 14 24.185 2.018 0.815 0.912 1.000 0.615 CA 1.296 15 residues pruned to eliminate duplicates Z: 13 13.054 1.943 0.190 0.909 1.000 0.917 CA 1.156 12 residues pruned to eliminate duplicates Z: 15 24.058 1.985 0.683 0.880 1.000 0.571 CA 1.394 15 residues pruned to eliminate duplicates Z: 12 22.403 2.175 0.548 0.892 0.909 0.818 CB 1.585 12 residues pruned to eliminate duplicates Z: 16 11.176 1.789 0.669 0.345 0.867 0.667 CA 1.319 Z: 13 30.180 2.143 0.865 0.881 1.000 0.667 CB 1.578 13 residues pruned to eliminate duplicates Z: 14 24.190 2.068 0.717 0.900 0.923 0.692 CB 1.462 14 residues pruned to eliminate duplicates Z: 11 14.470 2.028 0.402 0.899 1.000 0.800 CA 1.150 12 residues pruned to eliminate duplicates Z: 14 21.024 2.059 0.810 0.889 0.923 0.308 CB 1.220 13 residues pruned to eliminate duplicates Z: 7 5.202 1.604 0.185 0.619 1.000 0.667 CA 0.999 Z: 14 19.891 2.021 0.682 0.899 1.000 0.308 CB 1.160 14 residues pruned to eliminate duplicates Z: 13 13.910 1.815 0.474 0.912 1.000 0.833 CA 1.063 Z: 12 23.780 2.087 0.685 0.819 1.000 0.545 CA 1.545 10 residues pruned to eliminate duplicates Z: 52 27.444 1.924 0.747 0.543 0.824 0.608 CB 1.330 17 residues pruned to eliminate duplicates Z: 17 28.283 2.184 0.671 0.840 1.000 0.875 CA 1.446 17 residues pruned to eliminate duplicates Z: 12 14.934 2.035 0.457 0.871 1.000 0.727 CB 1.108 12 residues pruned to eliminate duplicates Z: 6 10.357 1.894 0.818 0.851 0.800 0.600 CA 1.245 7 residues pruned to eliminate duplicates Z: 9 16.245 2.018 0.441 0.837 1.000 0.500 CA 1.477 8 residues pruned to eliminate duplicates Z: 11 15.901 1.888 0.711 0.803 0.900 0.400 CB 1.328 11 residues pruned to eliminate duplicates Z: 13 25.679 2.163 0.629 0.894 1.000 0.667 CA 1.509 13 residues pruned to eliminate duplicates Z: 16 19.349 1.902 0.662 0.909 0.933 0.600 CA 1.202 16 residues pruned to eliminate duplicates Z: 17 25.088 2.009 0.679 0.895 1.000 0.812 CA 1.333 17 residues pruned to eliminate duplicates Z: 16 26.107 2.121 0.551 0.916 1.000 0.800 CB 1.446 16 residues pruned to eliminate duplicates Z: 13 20.778 2.063 0.615 0.924 1.000 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 11 17.738 2.189 0.318 0.875 1.000 0.700 CB 1.414 11 residues pruned to eliminate duplicates Z: 16 19.951 1.904 0.600 0.914 1.000 0.867 CA 1.195 16 residues pruned to eliminate duplicates Z: 11 18.681 2.183 0.766 0.927 1.000 0.800 CB 1.073 12 residues pruned to eliminate duplicates Z: 39 13.019 1.818 0.407 0.378 0.816 0.526 CA 1.153 24 residues pruned to eliminate duplicates Z: 16 21.938 2.013 0.889 0.918 0.867 0.600 CA 1.211 17 residues pruned to eliminate duplicates Z: 17 19.789 1.934 0.443 0.872 1.000 0.812 CA 1.291 17 residues pruned to eliminate duplicates Z: 13 17.547 1.959 0.518 0.811 0.917 0.667 CA 1.417 13 residues pruned to eliminate duplicates Z: 15 13.974 1.732 0.568 0.875 1.000 0.857 CB 1.000 14 residues pruned to eliminate duplicates Z: 14 22.600 1.924 0.780 0.887 1.000 0.769 CB 1.319 12 residues pruned to eliminate duplicates Z: 17 24.764 2.045 0.508 0.884 1.000 0.812 CA 1.451 17 residues pruned to eliminate duplicates Z: 13 17.417 2.057 0.564 0.862 0.917 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 14 13.236 1.754 0.861 0.858 0.923 0.692 CB 0.897 Z: 61 37.775 2.029 0.579 0.548 0.967 0.583 CA 1.503 31 residues pruned to eliminate duplicates Z: 11 16.996 2.022 0.785 0.918 1.000 0.300 CB 1.050 11 residues pruned to eliminate duplicates Z: 7 6.017 1.634 0.473 0.780 0.833 0.500 CA 0.957 7 residues pruned to eliminate duplicates Z: 13 19.033 2.072 0.404 0.892 1.000 0.833 CB 1.357 13 residues pruned to eliminate duplicates Z: 13 20.096 2.000 0.527 0.902 0.917 0.750 CA 1.478 13 residues pruned to eliminate duplicates Z: 15 29.228 2.094 0.777 0.889 1.000 0.714 CA 1.511 17 residues pruned to eliminate duplicates Z: 17 29.130 2.157 0.849 0.876 1.000 0.812 CA 1.327 17 residues pruned to eliminate duplicates Z: 12 23.975 2.192 0.390 0.935 1.000 0.909 CA 1.654 12 residues pruned to eliminate duplicates Z: 19 13.986 1.873 0.828 0.249 0.889 0.611 CB 1.446 16 residues pruned to eliminate duplicates Z: 16 24.345 2.064 0.517 0.849 1.000 0.800 CA 1.487 16 residues pruned to eliminate duplicates Z: 15 18.982 1.999 0.435 0.852 0.929 0.786 CA 1.409 15 residues pruned to eliminate duplicates Z: 28 13.831 1.787 0.584 0.359 0.852 0.593 CA 1.284 28 residues pruned to eliminate duplicates Z: 40 24.147 1.958 0.683 0.458 0.872 0.590 CA 1.404 39 residues pruned to eliminate duplicates Z: 14 24.853 1.893 1.051 0.790 1.000 0.692 CA 1.376 14 residues pruned to eliminate duplicates Z: 11 14.819 1.975 0.693 0.419 1.000 0.800 CA 1.526 Z: 11 12.895 2.019 0.170 0.899 1.000 1.000 CA 1.233 11 residues pruned to eliminate duplicates Z: 15 22.017 1.960 0.698 0.875 1.000 0.571 CA 1.285 14 residues pruned to eliminate duplicates Z: 6 10.382 1.868 0.503 0.829 1.000 0.800 CA 1.245 6 residues pruned to eliminate duplicates Z: 17 27.081 2.121 0.558 0.911 1.000 0.875 CA 1.451 17 residues pruned to eliminate duplicates Z: 13 7.745 1.701 0.619 0.450 0.833 0.500 CB 1.026 Z: 57 32.112 2.092 0.481 0.563 0.929 0.643 CB 1.403 33 residues pruned to eliminate duplicates Z: 16 20.208 1.976 0.700 0.893 0.933 0.667 CA 1.195 16 residues pruned to eliminate duplicates Z: 49 26.948 2.020 0.687 0.503 0.896 0.583 CB 1.270 13 residues pruned to eliminate duplicates Z: 13 14.317 1.822 0.680 0.888 0.917 0.750 CB 1.061 13 residues pruned to eliminate duplicates Z: 44 30.890 2.062 0.732 0.491 0.930 0.488 CB 1.431 22 residues pruned to eliminate duplicates Z: 15 24.290 1.914 0.693 0.916 1.000 0.857 CA 1.415 15 residues pruned to eliminate duplicates Z: 9 9.916 1.809 0.399 0.805 0.875 0.625 CA 1.213 Z: 66 29.540 1.949 0.585 0.505 0.923 0.554 CB 1.279 29 residues pruned to eliminate duplicates Z: 12 15.903 1.871 0.345 0.888 1.000 0.818 CA 1.373 Z: 15 22.508 1.862 0.905 0.893 1.000 0.643 CB 1.217 15 residues pruned to eliminate duplicates Z: 44 29.440 2.065 0.535 0.539 0.930 0.628 CB 1.466 44 residues pruned to eliminate duplicates Z: 33 22.765 2.052 0.739 0.556 0.812 0.406 CB 1.314 9 residues pruned to eliminate duplicates Z: 16 17.724 1.883 0.480 0.893 1.000 0.733 CA 1.179 16 residues pruned to eliminate duplicates Z: 9 12.039 2.000 0.902 0.914 1.000 1.000 CA 0.791 9 residues pruned to eliminate duplicates Z: 14 18.244 1.914 0.680 0.798 1.000 0.692 CA 1.213 13 residues pruned to eliminate duplicates Z: 14 20.197 2.015 0.457 0.853 1.000 0.769 CA 1.409 13 residues pruned to eliminate duplicates Z: 13 27.364 2.144 0.805 0.888 0.917 0.667 CA 1.605 13 residues pruned to eliminate duplicates Z: 13 12.435 1.686 0.255 0.909 1.000 0.917 CB 1.204 Z: 15 22.698 1.998 0.557 0.870 0.929 0.643 CA 1.533 14 residues pruned to eliminate duplicates Z: 10 5.167 1.735 0.409 0.654 0.778 0.667 CB 0.785 Z: 34 28.451 2.082 0.584 0.568 0.970 0.606 CB 1.450 32 residues pruned to eliminate duplicates Z: 14 15.836 1.883 0.541 0.773 0.923 0.692 CA 1.287 14 residues pruned to eliminate duplicates Z: 17 28.930 2.059 0.709 0.920 1.000 0.875 CA 1.447 17 residues pruned to eliminate duplicates Z: 13 21.096 2.103 0.624 0.864 0.917 0.833 CA 1.426 13 residues pruned to eliminate duplicates Z: 12 14.795 1.653 0.636 0.828 1.000 0.636 CB 1.242 Z: 10 20.727 2.013 1.116 0.912 1.000 0.778 CB 1.149 10 residues pruned to eliminate duplicates Z: 14 22.496 1.941 0.730 0.838 0.923 0.692 CA 1.505 14 residues pruned to eliminate duplicates Z: 13 20.541 1.999 0.634 0.845 1.000 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 18 25.855 2.084 0.624 0.844 0.882 0.529 CB 1.563 19 residues pruned to eliminate duplicates Z: 12 14.265 1.709 0.892 0.847 1.000 0.727 CA 0.988 12 residues pruned to eliminate duplicates Z: 65 26.126 1.861 0.580 0.458 0.891 0.469 CA 1.301 50 residues pruned to eliminate duplicates Z: 14 21.315 1.968 0.621 0.902 1.000 0.692 CA 1.321 14 residues pruned to eliminate duplicates Z: 13 17.559 2.043 0.417 0.881 1.000 0.667 CB 1.268 13 residues pruned to eliminate duplicates Z: 14 20.447 2.002 0.609 0.887 0.923 0.769 CA 1.375 15 residues pruned to eliminate duplicates Z: 11 10.064 1.969 0.545 0.343 1.000 0.600 CB 1.241 11 residues pruned to eliminate duplicates Z: 15 21.077 1.854 0.696 0.892 1.000 0.643 CA 1.287 15 residues pruned to eliminate duplicates Z: 26 28.622 2.078 0.696 0.667 1.000 0.560 CB 1.392 24 residues pruned to eliminate duplicates Z: 11 14.539 1.725 1.049 0.876 1.000 0.700 CB 0.945 13 residues pruned to eliminate duplicates Z: 17 31.972 2.061 0.887 0.926 1.000 0.875 CB 1.441 20 residues pruned to eliminate duplicates Z: 52 30.848 2.054 0.519 0.518 0.941 0.608 CB 1.445 52 residues pruned to eliminate duplicates Z: 7 7.463 1.750 0.662 0.655 0.833 0.667 CB 1.089 Z: 17 23.823 2.113 0.594 0.880 0.938 0.625 CA 1.367 17 residues pruned to eliminate duplicates Z: 40 25.635 1.994 0.677 0.492 0.872 0.487 CB 1.420 40 residues pruned to eliminate duplicates Z: 55 34.710 2.067 0.537 0.570 0.944 0.593 CA 1.472 55 residues pruned to eliminate duplicates Z: 15 26.367 2.212 0.698 0.925 1.000 1.000 CA 1.317 15 residues pruned to eliminate duplicates Z: 11 14.310 1.873 0.277 0.923 1.000 0.900 CA 1.329 11 residues pruned to eliminate duplicates Z: 16 22.483 1.933 0.618 0.829 1.000 0.800 CA 1.397 16 residues pruned to eliminate duplicates Z: 14 23.749 1.944 0.728 0.839 1.000 0.692 CB 1.464 14 residues pruned to eliminate duplicates Z: 9 7.882 1.862 0.407 0.835 0.875 0.625 CA 0.911 Z: 14 18.609 1.947 0.551 0.885 1.000 0.615 CA 1.234 14 residues pruned to eliminate duplicates Z: 15 21.481 1.941 0.556 0.893 1.000 0.357 CB 1.365 17 residues pruned to eliminate duplicates Z: 6 6.673 1.652 0.396 0.830 0.800 0.600 CA 1.215 Z: 16 30.232 2.183 0.910 0.863 1.000 0.733 CB 1.373 16 residues pruned to eliminate duplicates Z: 14 23.147 1.894 0.835 0.834 1.000 0.692 CA 1.385 14 residues pruned to eliminate duplicates Z: 13 11.756 1.651 0.284 0.856 1.000 0.917 CA 1.181 13 residues pruned to eliminate duplicates Z: 16 20.411 1.877 1.054 0.733 0.867 0.600 CA 1.280 14 residues pruned to eliminate duplicates Z: 12 12.935 1.825 0.352 0.858 0.909 0.818 CA 1.280 12 residues pruned to eliminate duplicates Z: 6 6.867 1.682 0.382 0.829 1.000 0.800 CB 0.994 Z: 17 19.181 2.032 0.215 0.866 1.000 0.812 CA 1.422 17 residues pruned to eliminate duplicates Z: 46 27.094 2.000 0.551 0.511 0.933 0.578 CB 1.380 42 residues pruned to eliminate duplicates Z: 6 6.995 1.903 0.778 0.777 0.600 0.600 N 1.207 6 residues pruned to eliminate duplicates Z: 14 20.783 2.127 0.284 0.908 1.000 0.923 CA 1.499 14 residues pruned to eliminate duplicates Z: 7 5.373 1.914 -0.089 0.690 0.833 0.500 CA 1.268 7 residues pruned to eliminate duplicates Z: 41 24.566 1.937 0.779 0.462 0.875 0.625 CB 1.339 41 residues pruned to eliminate duplicates Z: 6 8.434 1.790 0.586 0.689 0.800 0.800 N 1.398 Z: 64 36.446 2.022 0.584 0.628 0.905 0.587 CB 1.406 28 residues pruned to eliminate duplicates Z: 13 14.923 1.798 0.456 0.854 1.000 0.583 CA 1.216 13 residues pruned to eliminate duplicates Z: 9 18.607 2.092 0.543 0.843 1.000 0.750 CA 1.518 9 residues pruned to eliminate duplicates Z: 13 13.215 1.792 0.332 0.902 1.000 0.750 CA 1.140 13 residues pruned to eliminate duplicates Z: 6 10.810 1.848 0.904 0.768 1.000 0.600 CB 1.084 Z: 16 13.362 1.653 0.641 0.760 0.867 0.533 CA 1.165 4 residues pruned to eliminate duplicates Z: 8 9.617 1.926 0.519 0.793 1.000 0.857 CB 0.961 Z: 12 21.657 2.063 0.602 0.831 0.909 0.636 CA 1.633 12 residues pruned to eliminate duplicates Z: 7 8.127 1.665 0.501 0.849 0.833 0.667 CA 1.182 7 residues pruned to eliminate duplicates Z: 12 23.309 2.000 0.752 0.918 1.000 0.818 CA 1.414 12 residues pruned to eliminate duplicates Z: 14 14.353 1.741 0.523 0.880 1.000 0.923 CA 1.088 15 residues pruned to eliminate duplicates Z: 7 3.079 1.306 0.159 0.659 0.833 0.500 CA 0.859 7 residues pruned to eliminate duplicates Z: 10 16.888 1.875 0.532 0.935 1.000 1.000 CA 1.365 11 residues pruned to eliminate duplicates Z: 14 20.010 2.075 0.242 0.908 1.000 0.923 CA 1.529 14 residues pruned to eliminate duplicates Z: 8 13.571 2.031 0.407 0.567 1.000 1.000 CA 1.683 8 residues pruned to eliminate duplicates Z: 9 13.063 2.076 0.357 0.879 1.000 0.625 CA 1.188 9 residues pruned to eliminate duplicates Z: 14 20.372 2.085 0.344 0.872 1.000 0.692 CA 1.469 13 residues pruned to eliminate duplicates Z: 20 12.079 1.873 0.569 0.356 0.842 0.474 CA 1.308 20 residues pruned to eliminate duplicates Z: 12 21.216 1.945 0.722 0.817 1.000 0.818 CA 1.450 12 residues pruned to eliminate duplicates Z: 18 21.291 1.986 0.508 0.737 0.941 0.706 CB 1.481 18 residues pruned to eliminate duplicates Z: 14 22.977 2.026 0.551 0.877 1.000 0.615 CA 1.473 19 residues pruned to eliminate duplicates Z: 11 24.941 2.149 0.838 0.899 0.900 0.600 CA 1.585 11 residues pruned to eliminate duplicates Z: 14 36.701 2.218 0.815 0.925 1.000 0.308 CA 1.774 14 residues pruned to eliminate duplicates Z: 13 18.365 2.166 0.143 0.868 1.000 0.917 CA 1.564 13 residues pruned to eliminate duplicates Z: 23 11.447 1.741 0.339 0.595 0.818 0.500 CB 1.169 Z: 11 23.846 2.156 0.515 0.920 1.000 1.000 CA 1.625 11 residues pruned to eliminate duplicates Z: 18 18.683 1.991 0.354 0.825 0.941 0.647 CA 1.348 18 residues pruned to eliminate duplicates Z: 15 18.976 1.754 0.908 0.824 0.929 0.643 CA 1.233 14 residues pruned to eliminate duplicates Z: 38 28.770 2.007 0.565 0.658 0.973 0.649 CA 1.337 38 residues pruned to eliminate duplicates Z: 14 10.822 1.833 0.497 0.406 0.846 0.462 CB 1.427 13 residues pruned to eliminate duplicates Z: 12 16.402 1.775 0.632 0.855 1.000 0.818 CB 1.260 11 residues pruned to eliminate duplicates Z: 32 20.726 1.962 0.644 0.509 0.903 0.613 CB 1.267 32 residues pruned to eliminate duplicates Z: 37 20.592 1.972 0.403 0.465 0.889 0.667 CA 1.446 23 residues pruned to eliminate duplicates Z: 8 8.717 1.952 -0.014 0.861 0.857 0.714 CA 1.467 8 residues pruned to eliminate duplicates Z: 18 23.700 1.979 0.726 0.855 0.882 0.412 CA 1.407 18 residues pruned to eliminate duplicates Z: 17 31.578 2.087 0.715 0.909 1.000 0.625 CA 1.565 18 residues pruned to eliminate duplicates Z: 14 17.095 1.844 0.597 0.741 1.000 0.692 CA 1.297 14 residues pruned to eliminate duplicates Z: 44 37.550 2.096 0.876 0.608 0.907 0.419 CB 1.449 44 residues pruned to eliminate duplicates Z: 16 26.933 2.199 0.583 0.901 1.000 0.867 CA 1.426 16 residues pruned to eliminate duplicates Z: 14 16.883 1.806 0.691 0.780 1.000 0.692 CA 1.198 14 residues pruned to eliminate duplicates Z: 14 22.240 1.894 0.701 0.804 1.000 0.615 CA 1.467 14 residues pruned to eliminate duplicates Z: 28 28.104 2.115 0.679 0.590 0.926 0.630 CA 1.509 28 residues pruned to eliminate duplicates Z: 28 18.058 1.924 0.662 0.401 0.889 0.556 CA 1.358 19 residues pruned to eliminate duplicates Z: 13 12.851 2.082 0.080 0.895 0.917 0.917 CB 1.290 13 residues pruned to eliminate duplicates Z: 14 21.976 1.960 0.828 0.863 0.846 0.692 CB 1.475 14 residues pruned to eliminate duplicates Z: 12 20.168 1.985 0.624 0.926 1.000 0.818 CA 1.323 12 residues pruned to eliminate duplicates Z: 16 24.196 2.225 0.507 0.856 1.000 0.800 CA 1.374 16 residues pruned to eliminate duplicates Z: 13 15.707 1.906 0.510 0.845 0.917 0.667 CB 1.278 13 residues pruned to eliminate duplicates Z: 11 18.015 1.917 0.671 0.876 1.000 0.800 CB 1.292 11 residues pruned to eliminate duplicates Z: 15 26.658 1.991 0.828 0.896 1.000 0.643 CA 1.402 15 residues pruned to eliminate duplicates Z: 15 22.685 2.041 0.701 0.918 1.000 0.929 CA 1.231 15 residues pruned to eliminate duplicates Z: 23 19.222 1.948 0.798 0.468 0.864 0.591 CB 1.400 23 residues pruned to eliminate duplicates Z: 8 5.876 1.753 0.251 0.637 0.714 0.571 CA 1.248 8 residues pruned to eliminate duplicates Z: 12 6.581 1.771 0.475 0.431 0.727 0.727 CB 1.123 12 residues pruned to eliminate duplicates Z: 12 12.929 1.979 0.309 0.921 1.000 0.727 CA 1.059 11 residues pruned to eliminate duplicates Z: 6 5.777 1.928 0.190 0.779 0.800 0.400 CA 1.101 6 residues pruned to eliminate duplicates Z: 13 14.854 1.927 0.505 0.813 1.000 0.833 CA 1.126 13 residues pruned to eliminate duplicates Z: 15 23.612 1.956 0.839 0.920 0.929 0.643 CA 1.331 15 residues pruned to eliminate duplicates Z: 13 18.705 1.885 0.610 0.848 1.000 0.583 CA 1.320 13 residues pruned to eliminate duplicates Z: 14 6.019 1.758 0.199 0.321 0.769 0.538 CB 1.255 14 residues pruned to eliminate duplicates Z: 14 18.066 1.900 0.698 0.783 0.923 0.692 CA 1.312 14 residues pruned to eliminate duplicates Z: 11 4.036 1.707 0.258 0.407 0.600 0.200 CB 1.093 11 residues pruned to eliminate duplicates Z: 11 17.863 1.889 0.942 0.867 0.900 0.600 CB 1.252 11 residues pruned to eliminate duplicates Z: 7 7.409 1.997 0.307 0.739 0.833 0.667 CB 1.122 7 residues pruned to eliminate duplicates Z: 12 10.818 1.678 0.315 0.851 1.000 0.909 CA 1.095 12 residues pruned to eliminate duplicates Z: 14 33.701 2.217 0.759 0.896 1.000 0.538 CA 1.716 14 residues pruned to eliminate duplicates Z: 14 14.303 1.775 0.431 0.817 0.923 0.769 CA 1.284 14 residues pruned to eliminate duplicates Z: 13 16.338 1.834 0.728 0.749 0.917 0.583 CA 1.300 13 residues pruned to eliminate duplicates Z: 16 23.926 1.946 0.879 0.870 0.933 0.600 CA 1.321 16 residues pruned to eliminate duplicates Z: 13 22.741 2.188 0.423 0.874 1.000 0.917 CA 1.535 14 residues pruned to eliminate duplicates Z: 9 14.850 1.920 0.944 0.901 1.000 0.375 CB 1.004 9 residues pruned to eliminate duplicates Z: 7 7.932 1.714 0.813 0.535 0.833 0.667 CB 1.208 7 residues pruned to eliminate duplicates Z: 53 34.716 2.075 0.584 0.594 0.962 0.615 CB 1.392 53 residues pruned to eliminate duplicates Z: 6 3.553 1.709 0.400 0.299 0.800 0.600 CB 1.039 6 residues pruned to eliminate duplicates Z: 15 18.659 1.900 0.580 0.885 1.000 0.714 CA 1.200 15 residues pruned to eliminate duplicates Z: 63 37.386 2.052 0.769 0.527 0.968 0.629 CB 1.316 62 residues pruned to eliminate duplicates Z: 19 12.003 1.712 0.555 0.529 0.944 0.500 CA 1.094 9 residues pruned to eliminate duplicates Z: 28 18.578 1.925 0.359 0.592 0.889 0.556 CA 1.407 15 residues pruned to eliminate duplicates Z: 14 22.159 1.998 0.859 0.846 0.923 0.462 CB 1.332 14 residues pruned to eliminate duplicates Z: 40 18.508 1.759 0.530 0.460 0.923 0.641 CA 1.243 11 residues pruned to eliminate duplicates Z: 51 26.469 1.972 0.734 0.541 0.840 0.560 CB 1.251 51 residues pruned to eliminate duplicates Z: 72 34.816 2.047 0.711 0.405 0.915 0.535 CB 1.424 55 residues pruned to eliminate duplicates Z: 15 19.809 1.830 0.764 0.892 1.000 0.643 CB 1.179 15 residues pruned to eliminate duplicates Z: 7 4.945 1.714 0.147 0.576 0.833 0.500 CB 1.145 Z: 11 8.696 1.718 0.421 0.549 1.000 0.600 CA 1.074 11 residues pruned to eliminate duplicates Z: 71 25.541 1.774 0.562 0.532 0.829 0.586 CB 1.288 69 residues pruned to eliminate duplicates Z: 26 29.012 2.129 0.490 0.671 1.000 0.680 CA 1.562 26 residues pruned to eliminate duplicates Z: 17 20.454 2.015 0.408 0.908 0.938 0.688 CB 1.365 17 residues pruned to eliminate duplicates Z: 10 17.808 1.966 0.764 0.896 1.000 0.556 CB 1.225 10 residues pruned to eliminate duplicates Z: 6 5.563 1.721 0.281 0.729 1.000 0.800 CA 0.918 Z: 6 4.062 1.898 0.174 0.431 0.800 0.400 CA 1.095 6 residues pruned to eliminate duplicates Z: 9 11.434 1.731 0.540 0.880 1.000 1.000 CA 1.099 Z: 15 29.493 2.107 0.707 0.886 0.929 0.500 CB 1.703 15 residues pruned to eliminate duplicates Z: 15 14.971 2.035 0.482 0.630 0.857 0.500 CB 1.369 15 residues pruned to eliminate duplicates Z: 52 27.760 1.968 0.605 0.522 0.941 0.627 CB 1.280 52 residues pruned to eliminate duplicates Z: 36 28.373 2.025 0.608 0.529 0.971 0.514 CB 1.473 36 residues pruned to eliminate duplicates Z: 17 22.755 2.087 0.620 0.905 1.000 0.688 CA 1.198 17 residues pruned to eliminate duplicates Z: 11 14.894 1.939 0.286 0.924 1.000 1.000 CA 1.326 11 residues pruned to eliminate duplicates Z: 16 15.911 1.725 0.403 0.838 0.933 0.400 CA 1.359 16 residues pruned to eliminate duplicates Z: 12 19.076 1.972 0.734 0.919 1.000 0.545 CA 1.185 12 residues pruned to eliminate duplicates Z: 12 15.668 2.006 0.793 0.390 1.000 0.545 CA 1.477 11 residues pruned to eliminate duplicates Z: 63 36.740 2.009 0.591 0.618 0.968 0.581 CB 1.350 63 residues pruned to eliminate duplicates Z: 12 28.189 2.213 0.701 0.888 1.000 0.545 CA 1.627 12 residues pruned to eliminate duplicates Z: 15 18.078 1.866 0.410 0.862 0.929 0.786 CB 1.452 15 residues pruned to eliminate duplicates Z: 15 23.389 1.895 0.530 0.885 1.000 0.857 CA 1.557 15 residues pruned to eliminate duplicates Z: 60 32.659 2.030 0.680 0.558 0.864 0.424 CB 1.364 60 residues pruned to eliminate duplicates Z: 6 4.555 1.689 0.208 0.614 0.800 0.400 CA 1.121 6 residues pruned to eliminate duplicates Z: 53 38.109 2.104 0.665 0.607 0.981 0.654 CB 1.390 54 residues pruned to eliminate duplicates Z: 54 21.009 1.870 0.524 0.421 0.830 0.396 CB 1.324 54 residues pruned to eliminate duplicates Z: 13 22.321 1.992 0.743 0.873 1.000 0.750 CB 1.352 13 residues pruned to eliminate duplicates Z: 8 11.046 1.815 0.526 0.849 1.000 0.571 CA 1.118 8 residues pruned to eliminate duplicates Z: 15 17.539 1.900 0.550 0.797 1.000 0.714 CA 1.227 15 residues pruned to eliminate duplicates Z: 13 13.892 1.665 0.643 0.884 1.000 0.833 CB 1.059 12 residues pruned to eliminate duplicates Z: 14 11.538 1.808 0.647 0.843 0.769 0.538 CB 1.040 14 residues pruned to eliminate duplicates Z: 18 18.239 1.989 0.889 0.407 0.882 0.412 CB 1.471 18 residues pruned to eliminate duplicates Z: 17 14.294 1.979 0.655 0.433 0.938 0.625 CA 1.246 17 residues pruned to eliminate duplicates Z: 63 28.218 1.944 0.652 0.438 0.919 0.484 CB 1.295 52 residues pruned to eliminate duplicates Z: 86 33.099 1.940 0.594 0.481 0.871 0.576 CB 1.360 86 residues pruned to eliminate duplicates Z: 14 20.064 1.959 0.699 0.810 0.923 0.692 CA 1.382 14 residues pruned to eliminate duplicates Z: 9 13.483 1.791 0.761 0.863 1.000 0.875 CA 1.110 9 residues pruned to eliminate duplicates Z: 101 47.635 2.012 0.594 0.611 0.940 0.650 CA 1.422 119 residues pruned to eliminate duplicates Z: 11 19.438 2.176 0.354 0.894 1.000 1.000 CA 1.497 11 residues pruned to eliminate duplicates Z: 44 25.885 1.966 0.793 0.493 0.884 0.535 CB 1.276 44 residues pruned to eliminate duplicates Z: 16 12.316 1.897 0.555 0.298 1.000 0.800 CA 1.352 16 residues pruned to eliminate duplicates Z: 15 21.512 2.196 0.337 0.860 1.000 0.786 CA 1.439 15 residues pruned to eliminate duplicates Z: 14 19.077 1.947 0.526 0.855 1.000 0.385 CA 1.314 14 residues pruned to eliminate duplicates Z: 53 22.218 1.787 0.634 0.519 0.827 0.538 CB 1.252 53 residues pruned to eliminate duplicates Z: 13 18.886 1.960 0.722 0.834 0.917 0.917 CA 1.321 13 residues pruned to eliminate duplicates Z: 18 12.275 1.720 0.725 0.308 0.941 0.647 CB 1.320 18 residues pruned to eliminate duplicates Z: 58 29.008 1.936 0.583 0.558 0.912 0.684 CB 1.299 34 residues pruned to eliminate duplicates Z: 9 7.076 1.720 0.354 0.748 0.750 0.625 CB 1.147 9 residues pruned to eliminate duplicates Z: 6 7.039 1.658 0.386 0.793 1.000 1.000 CA 1.060 6 residues pruned to eliminate duplicates Z: 32 19.952 1.935 0.471 0.456 0.935 0.677 CA 1.408 31 residues pruned to eliminate duplicates Z: 30 20.778 1.868 0.713 0.473 0.931 0.552 CB 1.331 30 residues pruned to eliminate duplicates Z: 7 3.369 1.554 0.176 0.296 0.833 0.500 CB 1.135 Z: 54 32.254 2.065 0.562 0.576 0.887 0.623 CB 1.440 54 residues pruned to eliminate duplicates Z: 60 40.156 2.061 0.591 0.648 0.966 0.763 CA 1.438 73 residues pruned to eliminate duplicates Z: 52 25.250 1.898 0.475 0.539 0.882 0.549 CA 1.379 52 residues pruned to eliminate duplicates Z: 8 11.389 1.819 0.341 0.802 1.000 0.571 CB 1.355 Z: 14 14.699 1.783 0.782 0.761 0.846 0.462 CA 1.202 14 residues pruned to eliminate duplicates Z: 16 30.200 2.208 0.723 0.911 1.000 1.000 CB 1.452 16 residues pruned to eliminate duplicates Z: 14 20.354 1.932 0.723 0.909 1.000 0.615 CB 1.204 Z: 44 19.194 1.804 0.396 0.557 0.791 0.628 CA 1.390 39 residues pruned to eliminate duplicates Z: 14 20.989 1.998 0.657 0.826 0.923 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 29 13.201 1.809 0.514 0.486 0.821 0.643 CA 1.124 20 residues pruned to eliminate duplicates Z: 7 10.328 1.831 0.270 0.833 1.000 0.500 CA 1.360 7 residues pruned to eliminate duplicates Z: 8 6.429 1.678 0.131 0.843 1.000 0.857 CB 0.954 Z: 8 4.476 1.926 0.356 0.327 0.857 0.429 CB 0.913 8 residues pruned to eliminate duplicates Z: 7 3.859 1.724 0.220 0.394 0.833 0.833 CB 1.006 7 residues pruned to eliminate duplicates Z: 15 27.143 2.037 0.565 0.911 1.000 0.714 CA 1.613 15 residues pruned to eliminate duplicates Z: 15 18.434 1.909 0.573 0.853 1.000 0.786 CA 1.212 15 residues pruned to eliminate duplicates Z: 37 15.600 1.723 0.570 0.409 0.861 0.556 CB 1.228 21 residues pruned to eliminate duplicates Z: 32 17.892 1.893 0.735 0.369 0.839 0.484 CB 1.342 32 residues pruned to eliminate duplicates Z: 26 13.998 1.770 0.572 0.466 0.840 0.560 CB 1.240 26 residues pruned to eliminate duplicates Z: 17 29.985 1.959 0.884 0.912 1.000 0.625 CB 1.439 17 residues pruned to eliminate duplicates Z: 12 16.391 1.858 0.702 0.892 1.000 0.727 CB 1.123 12 residues pruned to eliminate duplicates Z: 11 16.549 1.843 0.840 0.847 0.900 0.600 CB 1.273 11 residues pruned to eliminate duplicates Z: 15 28.601 2.205 0.688 0.893 1.000 0.857 CA 1.474 15 residues pruned to eliminate duplicates Z: 14 24.100 2.068 0.543 0.874 1.000 0.769 CB 1.525 14 residues pruned to eliminate duplicates Z: 8 8.914 1.778 0.297 0.746 1.000 0.571 CB 1.172 8 residues pruned to eliminate duplicates Z: 13 22.415 1.965 0.699 0.838 1.000 0.667 CA 1.449 13 residues pruned to eliminate duplicates Z: 10 7.081 1.755 0.490 0.369 0.889 0.556 CB 1.169 10 residues pruned to eliminate duplicates Z: 13 15.702 2.044 0.264 0.879 1.000 0.667 CB 1.272 14 residues pruned to eliminate duplicates 8 1.994 1.706 -0.174 0.435 0.571 0.286 CB 1.001 ? Z: 12 22.737 2.024 0.887 0.931 1.000 0.818 CA 1.255 12 residues pruned to eliminate duplicates Z: 6 11.400 1.980 0.612 0.834 1.000 0.400 CA 1.198 6 residues pruned to eliminate duplicates Z: 57 25.872 1.906 0.572 0.515 0.821 0.589 CB 1.385 57 residues pruned to eliminate duplicates Z: 7 9.100 1.633 0.653 0.800 1.000 0.833 CA 1.059 7 residues pruned to eliminate duplicates Z: 14 40.771 2.167 1.101 0.924 1.000 0.462 CA 1.744 14 residues pruned to eliminate duplicates Z: 7 9.467 1.938 0.526 0.761 0.833 0.500 CA 1.243 7 residues pruned to eliminate duplicates Z: 14 22.220 1.935 0.791 0.894 1.000 0.385 CA 1.276 14 residues pruned to eliminate duplicates Z: 62 34.026 2.050 0.584 0.570 0.951 0.590 CB 1.318 62 residues pruned to eliminate duplicates Z: 11 15.148 1.897 0.749 0.797 0.900 0.800 CA 1.237 11 residues pruned to eliminate duplicates Z: 11 3.693 1.784 0.161 0.261 0.600 0.400 CB 1.235 Z: 32 23.456 2.025 0.727 0.547 0.935 0.581 CB 1.230 32 residues pruned to eliminate duplicates Z: 11 17.503 1.798 0.808 0.884 1.000 0.700 CA 1.230 11 residues pruned to eliminate duplicates Z: 25 14.007 1.943 0.351 0.564 0.875 0.542 CB 1.169 25 residues pruned to eliminate duplicates Z: 11 17.090 1.847 0.551 0.884 1.000 0.900 CA 1.364 11 residues pruned to eliminate duplicates Z: 13 11.628 1.685 0.315 0.872 0.917 0.833 CA 1.204 13 residues pruned to eliminate duplicates Z: 15 10.719 1.649 0.130 0.865 1.000 0.929 CA 1.127 15 residues pruned to eliminate duplicates Z: 53 37.483 2.093 0.558 0.608 0.981 0.635 CA 1.467 53 residues pruned to eliminate duplicates Z: 110 44.555 2.031 0.643 0.540 0.881 0.505 CB 1.396 112 residues pruned to eliminate duplicates Z: 15 23.918 2.019 0.478 0.878 1.000 0.929 CA 1.554 15 residues pruned to eliminate duplicates Z: 54 28.529 1.948 0.446 0.599 0.962 0.623 CA 1.316 54 residues pruned to eliminate duplicates Z: 10 19.494 1.936 1.006 0.875 1.000 0.778 CA 1.217 10 residues pruned to eliminate duplicates Z: 18 19.247 1.936 0.592 0.872 1.000 0.765 CA 1.104 18 residues pruned to eliminate duplicates Z: 12 16.105 1.821 0.420 0.921 1.000 0.818 CA 1.321 12 residues pruned to eliminate duplicates Z: 21 18.229 2.065 0.513 0.378 1.000 0.600 CB 1.486 21 residues pruned to eliminate duplicates Z: 17 19.353 2.029 0.327 0.855 1.000 0.812 CA 1.326 17 residues pruned to eliminate duplicates Z: 15 15.943 1.985 0.598 0.693 1.000 0.643 CB 1.126 15 residues pruned to eliminate duplicates Z: 25 22.807 2.031 0.559 0.679 0.958 0.708 CA 1.301 25 residues pruned to eliminate duplicates Z: 17 21.752 1.967 0.485 0.894 1.000 0.875 CA 1.335 17 residues pruned to eliminate duplicates Z: 28 19.622 1.939 0.581 0.582 0.889 0.667 CB 1.281 28 residues pruned to eliminate duplicates Z: 91 40.575 1.983 0.521 0.572 0.933 0.556 CA 1.417 91 residues pruned to eliminate duplicates Z: 16 18.582 1.823 0.501 0.874 1.000 0.667 CA 1.276 16 residues pruned to eliminate duplicates Z: 13 15.163 1.973 0.337 0.870 1.000 0.750 CB 1.211 13 residues pruned to eliminate duplicates Z: 6 8.833 1.742 0.561 0.767 1.000 0.600 N 1.147 6 residues pruned to eliminate duplicates Z: 6 2.328 1.635 0.168 0.479 0.600 0.400 CB 0.928 Z: 18 9.615 1.794 0.607 0.489 0.765 0.471 CB 1.069 18 residues pruned to eliminate duplicates Z: 35 19.436 1.930 0.641 0.374 0.882 0.412 CB 1.365 35 residues pruned to eliminate duplicates Z: 8 9.792 1.885 0.409 0.871 0.857 0.571 CA 1.186 8 residues pruned to eliminate duplicates Z: 12 11.240 1.905 0.766 0.344 0.818 0.636 CA 1.459 12 residues pruned to eliminate duplicates Z: 66 32.738 1.997 0.509 0.593 0.908 0.692 CB 1.358 66 residues pruned to eliminate duplicates Z: 36 17.226 1.863 0.549 0.445 0.886 0.714 CA 1.206 36 residues pruned to eliminate duplicates Z: 11 6.913 1.804 0.592 0.449 0.800 0.400 CB 1.003 11 residues pruned to eliminate duplicates Z: 14 15.225 1.638 0.448 0.917 1.000 0.923 CB 1.257 14 residues pruned to eliminate duplicates Z: 10 7.946 1.704 0.622 0.508 1.000 0.444 N 0.951 Z: 16 9.646 1.903 0.362 0.305 0.933 0.467 CB 1.278 16 residues pruned to eliminate duplicates Z: 8 5.108 1.907 0.243 0.327 0.857 0.429 CB 1.149 8 residues pruned to eliminate duplicates Z: 17 29.606 2.102 0.902 0.855 0.938 0.562 CB 1.458 17 residues pruned to eliminate duplicates Z: 29 17.267 1.824 0.496 0.504 0.821 0.536 CA 1.451 29 residues pruned to eliminate duplicates Z: 18 19.079 1.900 0.817 0.779 0.941 0.765 CB 1.113 17 residues pruned to eliminate duplicates Z: 7 7.180 1.775 0.379 0.827 1.000 0.833 CB 0.903 Z: 12 6.798 1.563 0.393 0.451 0.909 0.636 CB 1.089 Z: 26 18.409 1.958 0.465 0.585 0.840 0.640 CA 1.408 26 residues pruned to eliminate duplicates Z: 8 8.882 1.931 0.401 0.487 0.857 0.429 CA 1.466 8 residues pruned to eliminate duplicates Z: 59 27.895 1.992 0.572 0.447 0.914 0.586 CB 1.352 59 residues pruned to eliminate duplicates Z: 16 27.065 1.989 0.972 0.939 1.000 0.733 CA 1.238 16 residues pruned to eliminate duplicates Z: 10 4.634 1.493 0.842 0.346 0.778 0.333 CA 0.853 Z: 14 13.664 1.604 0.691 0.850 0.923 0.769 CB 1.121 14 residues pruned to eliminate duplicates Z: 14 17.868 1.790 0.807 0.919 1.000 0.846 CA 1.080 14 residues pruned to eliminate duplicates Z: 15 23.319 2.015 0.821 0.861 0.929 0.786 CA 1.344 16 residues pruned to eliminate duplicates Z: 14 14.778 1.608 0.663 0.864 1.000 0.462 CB 1.123 14 residues pruned to eliminate duplicates Z: 18 10.892 1.870 0.535 0.511 0.824 0.412 CA 1.105 18 residues pruned to eliminate duplicates Z: 6 7.824 1.577 0.498 0.642 1.000 1.000 CA 1.297 6 residues pruned to eliminate duplicates Z: 26 12.799 1.681 0.641 0.463 0.800 0.520 CB 1.205 26 residues pruned to eliminate duplicates Z: 9 11.136 1.671 0.920 0.435 1.000 0.500 CA 1.313 9 residues pruned to eliminate duplicates Z: 6 4.141 1.573 0.096 0.775 0.800 0.600 N 1.054 Z: 7 5.521 1.583 0.197 0.553 1.000 0.833 N 1.129 Z: 12 11.959 1.823 0.621 0.890 0.909 0.545 CA 0.965 12 residues pruned to eliminate duplicates Z: 35 23.389 2.003 0.695 0.429 0.882 0.706 CA 1.441 36 residues pruned to eliminate duplicates Z: 11 5.090 1.682 0.273 0.392 0.700 0.600 CA 1.204 11 residues pruned to eliminate duplicates Z: 13 16.193 1.744 0.669 0.882 0.917 0.750 CB 1.268 13 residues pruned to eliminate duplicates Z: 24 12.266 1.645 0.685 0.589 0.826 0.696 CB 1.026 14 residues pruned to eliminate duplicates Z: 15 18.990 1.880 0.498 0.872 0.929 0.643 CA 1.414 15 residues pruned to eliminate duplicates Z: 13 6.617 1.832 0.529 0.236 0.917 0.583 CB 1.011 13 residues pruned to eliminate duplicates Z: 6 2.117 1.592 0.043 0.322 0.600 0.400 CB 1.157 6 residues pruned to eliminate duplicates Z: 19 27.907 1.969 0.779 0.858 1.000 0.667 CB 1.383 18 residues pruned to eliminate duplicates Z: 15 18.706 1.698 0.740 0.813 1.000 0.714 CA 1.288 15 residues pruned to eliminate duplicates Z: 9 10.847 1.741 0.416 0.772 1.000 0.375 CA 1.224 8 residues pruned to eliminate duplicates Z: 14 7.382 1.734 0.174 0.472 0.846 0.462 CB 1.223 16 residues pruned to eliminate duplicates Z: 64 37.077 1.974 0.659 0.610 0.905 0.603 CB 1.421 64 residues pruned to eliminate duplicates Z: 11 10.277 1.755 0.747 0.840 0.900 0.600 CB 0.879 11 residues pruned to eliminate duplicates Z: 11 11.643 1.800 0.454 0.460 1.000 0.700 CB 1.465 12 residues pruned to eliminate duplicates Z: 7 9.891 2.036 0.282 0.663 1.000 0.667 CB 1.330 7 residues pruned to eliminate duplicates Z: 40 24.548 2.020 0.685 0.525 0.846 0.513 CB 1.331 40 residues pruned to eliminate duplicates Z: 17 26.175 2.127 0.693 0.913 1.000 0.812 CA 1.286 17 residues pruned to eliminate duplicates Z: 29 14.711 1.899 0.443 0.449 0.786 0.500 CA 1.360 29 residues pruned to eliminate duplicates Z: 13 12.391 1.960 0.107 0.864 1.000 0.667 CA 1.209 13 residues pruned to eliminate duplicates Z: 16 9.139 1.760 0.466 0.437 0.800 0.267 CA 1.220 16 residues pruned to eliminate duplicates Z: 13 23.404 2.159 0.607 0.830 1.000 0.583 CB 1.464 13 residues pruned to eliminate duplicates Z: 13 16.123 1.839 0.612 0.857 1.000 0.917 CB 1.157 13 residues pruned to eliminate duplicates Z: 11 13.911 1.810 0.263 0.931 1.000 1.000 CA 1.344 11 residues pruned to eliminate duplicates Z: 21 17.909 1.960 0.546 0.704 0.850 0.650 CB 1.291 21 residues pruned to eliminate duplicates Z: 20 11.480 1.893 0.464 0.643 0.947 0.737 CA 0.878 20 residues pruned to eliminate duplicates Z: 13 6.055 1.474 0.788 0.330 0.667 0.417 CB 1.199 Z: 14 22.166 1.987 0.676 0.879 1.000 0.769 CA 1.338 14 residues pruned to eliminate duplicates Z: 36 28.104 2.016 0.709 0.533 0.914 0.600 CB 1.461 36 residues pruned to eliminate duplicates Z: 16 25.412 2.087 0.557 0.898 0.933 0.467 CB 1.547 16 residues pruned to eliminate duplicates Z: 8 6.934 1.687 0.317 0.768 0.857 0.714 CA 1.085 8 residues pruned to eliminate duplicates Z: 14 15.991 1.551 0.643 0.868 1.000 0.846 CB 1.273 14 residues pruned to eliminate duplicates Z: 24 22.631 2.031 0.815 0.399 0.957 0.565 CB 1.489 24 residues pruned to eliminate duplicates Z: 11 17.019 1.880 0.419 0.894 1.000 0.600 CA 1.447 11 residues pruned to eliminate duplicates Z: 17 10.153 1.679 0.430 0.613 0.812 0.500 CB 1.169 17 residues pruned to eliminate duplicates Z: 42 23.361 1.900 0.688 0.508 0.902 0.561 CB 1.251 42 residues pruned to eliminate duplicates Z: 13 12.462 1.761 0.566 0.875 1.000 0.750 CA 0.948 13 residues pruned to eliminate duplicates Z: 16 30.803 2.172 0.901 0.842 1.000 0.467 CA 1.436 16 residues pruned to eliminate duplicates Z: 16 7.229 1.820 0.242 0.358 0.667 0.400 CB 1.443 27 residues pruned to eliminate duplicates Z: 40 18.835 1.828 0.608 0.412 0.872 0.641 CB 1.290 40 residues pruned to eliminate duplicates Z: 17 20.904 1.867 0.485 0.868 1.000 0.750 CA 1.378 17 residues pruned to eliminate duplicates Z: 8 13.662 1.940 0.895 0.879 0.857 0.571 CA 1.188 7 residues pruned to eliminate duplicates Z: 8 2.750 1.523 0.120 0.329 0.714 0.571 CB 1.030 Z: 9 2.508 1.856 0.226 0.256 0.500 0.125 CB 1.031 9 residues pruned to eliminate duplicates Z: 7 3.830 1.479 0.339 0.629 0.833 0.667 CB 0.839 7 residues pruned to eliminate duplicates Z: 10 4.367 1.555 0.168 0.494 1.000 0.556 CB 0.807 10 residues pruned to eliminate duplicates Z: 8 2.152 1.677 0.695 0.240 0.714 0.429 CB 0.541 Z: 7 8.265 1.499 0.661 0.878 1.000 0.833 CA 0.983 7 residues pruned to eliminate duplicates Z: 60 28.297 1.924 0.689 0.409 0.915 0.593 CA 1.362 60 residues pruned to eliminate duplicates Z: 6 4.644 1.677 0.192 0.723 0.800 0.800 CB 1.061 6 residues pruned to eliminate duplicates Z: 23 21.432 2.008 0.755 0.407 0.909 0.500 CA 1.573 23 residues pruned to eliminate duplicates Z: 22 11.104 1.962 0.333 0.344 0.905 0.571 CB 1.213 22 residues pruned to eliminate duplicates Z: 12 15.145 1.908 0.327 0.899 1.000 0.636 CA 1.290 12 residues pruned to eliminate duplicates Z: 7 6.327 1.867 0.283 0.813 1.000 0.667 CA 0.821 7 residues pruned to eliminate duplicates Z: 8 13.053 2.065 0.592 0.868 1.000 0.714 CA 1.097 8 residues pruned to eliminate duplicates Z: 6 3.925 1.561 0.371 0.489 0.800 0.600 CA 1.036 Z: 7 8.804 1.702 0.461 0.583 1.000 0.667 CA 1.335 Z: 18 18.812 1.883 0.628 0.845 0.882 0.647 CA 1.254 18 residues pruned to eliminate duplicates Z: 13 15.889 1.977 0.190 0.858 1.000 0.833 CA 1.435 13 residues pruned to eliminate duplicates Z: 29 17.207 1.877 0.823 0.439 0.786 0.393 CB 1.288 29 residues pruned to eliminate duplicates Z: 7 16.425 2.112 0.697 0.647 1.000 0.500 CB 1.632 7 residues pruned to eliminate duplicates Z: 12 17.683 1.864 0.943 0.859 0.909 0.909 CA 1.192 12 residues pruned to eliminate duplicates Z: 14 21.967 1.958 0.769 0.892 1.000 0.846 CB 1.263 14 residues pruned to eliminate duplicates Z: 36 26.478 1.977 0.626 0.545 0.943 0.629 CB 1.413 36 residues pruned to eliminate duplicates Z: 7 6.696 1.721 0.589 0.714 0.833 0.500 CA 0.988 7 residues pruned to eliminate duplicates Z: 25 19.702 1.848 0.642 0.567 0.917 0.667 CA 1.355 25 residues pruned to eliminate duplicates Z: 15 12.569 1.903 0.460 0.445 0.857 0.643 CA 1.492 15 residues pruned to eliminate duplicates Z: 9 11.301 1.795 0.785 0.796 0.875 0.625 CB 1.100 9 residues pruned to eliminate duplicates Z: 6 7.495 1.769 0.767 0.486 0.800 0.600 CA 1.359 Z: 10 5.805 1.476 0.793 0.609 0.778 0.556 CA 0.848 Z: 14 28.847 2.031 0.874 0.877 1.000 0.538 CB 1.527 14 residues pruned to eliminate duplicates Z: 63 29.781 2.012 0.465 0.533 0.887 0.597 CB 1.400 63 residues pruned to eliminate duplicates Z: 15 8.651 1.731 0.704 0.716 0.786 0.500 CB 0.820 Z: 26 16.883 1.810 0.721 0.398 0.880 0.400 CA 1.371 6 residues pruned to eliminate duplicates Z: 40 27.624 1.959 0.597 0.615 0.949 0.590 CB 1.337 40 residues pruned to eliminate duplicates Z: 21 12.057 1.769 0.603 0.490 0.950 0.650 CA 1.011 10 residues pruned to eliminate duplicates Z: 14 19.832 1.921 0.748 0.786 1.000 0.692 CA 1.274 14 residues pruned to eliminate duplicates Z: 15 24.773 2.019 0.733 0.869 1.000 0.429 CA 1.382 15 residues pruned to eliminate duplicates Z: 8 13.167 2.063 0.711 0.889 1.000 1.000 CB 1.015 8 residues pruned to eliminate duplicates Z: 12 7.886 1.737 0.619 0.404 0.818 0.636 CB 1.143 12 residues pruned to eliminate duplicates Z: 12 9.865 1.780 0.588 0.850 0.909 0.636 CB 0.858 12 residues pruned to eliminate duplicates Z: 16 29.172 2.187 0.652 0.927 0.933 0.733 CA 1.566 16 residues pruned to eliminate duplicates Z: 64 31.834 1.941 0.500 0.566 0.937 0.571 CB 1.381 64 residues pruned to eliminate duplicates Z: 14 22.423 1.960 0.889 0.830 0.923 0.692 CA 1.368 14 residues pruned to eliminate duplicates Z: 15 18.390 1.908 0.505 0.811 0.929 0.714 CA 1.406 15 residues pruned to eliminate duplicates Z: 6 7.110 1.837 0.578 0.641 0.800 0.600 CA 1.201 6 residues pruned to eliminate duplicates Z: 6 4.836 1.805 -0.077 0.779 0.800 0.600 CB 1.269 6 residues pruned to eliminate duplicates Z: 63 37.390 2.016 0.590 0.636 0.935 0.565 CB 1.394 63 residues pruned to eliminate duplicates Z: 11 13.600 1.754 0.438 0.903 1.000 0.800 CB 1.216 11 residues pruned to eliminate duplicates Z: 6 11.321 1.789 0.593 0.812 1.000 0.800 CA 1.355 7 residues pruned to eliminate duplicates Z: 13 19.467 1.901 0.854 0.821 1.000 0.833 CB 1.207 13 residues pruned to eliminate duplicates Z: 11 11.650 1.725 0.373 0.905 1.000 1.000 CB 1.108 11 residues pruned to eliminate duplicates Z: 27 16.722 1.939 0.527 0.617 0.923 0.615 CB 1.074 26 residues pruned to eliminate duplicates Z: 6 5.048 1.734 0.683 0.671 0.600 0.400 CB 1.101 Z: 19 12.282 1.658 0.847 0.499 0.833 0.556 CA 1.136 19 residues pruned to eliminate duplicates Z: 16 24.315 2.031 0.695 0.914 0.933 0.733 CB 1.382 16 residues pruned to eliminate duplicates Z: 39 31.448 2.052 0.489 0.691 0.947 0.711 CB 1.481 39 residues pruned to eliminate duplicates Z: 32 26.410 2.006 0.614 0.559 0.903 0.516 CA 1.532 32 residues pruned to eliminate duplicates Z: 8 7.499 1.771 0.194 0.823 1.000 0.857 CB 1.013 7 residues pruned to eliminate duplicates Z: 17 24.598 1.980 0.625 0.830 1.000 0.625 CA 1.437 17 residues pruned to eliminate duplicates Z: 6 8.251 1.938 0.213 0.807 1.000 0.800 CB 1.201 7 residues pruned to eliminate duplicates Z: 7 16.206 2.017 0.736 0.893 1.000 0.667 CA 1.357 8 residues pruned to eliminate duplicates Z: 40 25.337 2.042 0.458 0.497 0.949 0.590 CA 1.441 40 residues pruned to eliminate duplicates Z: 6 5.089 1.763 -0.091 0.826 1.000 0.600 CA 1.072 6 residues pruned to eliminate duplicates Z: 18 7.500 1.762 0.287 0.312 0.765 0.353 CB 1.291 18 residues pruned to eliminate duplicates Z: 44 29.213 2.050 0.787 0.531 0.884 0.581 CB 1.335 53 residues pruned to eliminate duplicates Z: 8 4.589 1.779 0.541 0.435 0.571 0.571 CB 1.185 8 residues pruned to eliminate duplicates Z: 15 6.803 1.702 0.186 0.359 0.786 0.500 CA 1.334 15 residues pruned to eliminate duplicates Z: 9 4.336 1.472 0.310 0.421 0.875 0.625 CB 0.986 Z: 7 6.643 1.468 0.116 0.834 1.000 0.667 CB 1.240 7 residues pruned to eliminate duplicates Z: 9 11.960 1.865 0.644 0.887 1.000 1.000 CB 0.994 9 residues pruned to eliminate duplicates Z: 12 12.183 1.920 0.069 0.884 1.000 0.909 CA 1.293 12 residues pruned to eliminate duplicates Z: 11 24.965 2.124 0.967 0.910 1.000 0.700 CB 1.341 11 residues pruned to eliminate duplicates Z: 14 16.310 1.760 0.787 0.885 0.923 0.538 CB 1.125 14 residues pruned to eliminate duplicates Z: 15 27.633 1.996 0.852 0.923 1.000 0.857 CB 1.404 15 residues pruned to eliminate duplicates Z: 23 10.072 1.642 0.439 0.457 0.818 0.591 CA 1.161 23 residues pruned to eliminate duplicates Z: 11 8.476 1.658 0.332 0.841 0.900 0.600 CB 1.006 10 residues pruned to eliminate duplicates Z: 7 6.849 1.568 0.658 0.841 0.833 0.500 CA 0.962 7 residues pruned to eliminate duplicates Z: 62 39.419 2.035 0.596 0.638 0.951 0.689 CB 1.437 62 residues pruned to eliminate duplicates Z: 13 30.311 2.164 0.768 0.897 1.000 0.833 CB 1.637 13 residues pruned to eliminate duplicates Z: 13 12.343 1.694 0.606 0.904 0.833 0.333 CB 1.120 13 residues pruned to eliminate duplicates Z: 48 27.587 2.017 0.661 0.455 0.915 0.596 CB 1.375 48 residues pruned to eliminate duplicates Z: 11 4.437 1.570 0.873 0.325 0.600 0.500 CB 0.964 11 residues pruned to eliminate duplicates Z: 38 14.387 1.637 0.533 0.394 0.892 0.595 CB 1.181 39 residues pruned to eliminate duplicates Z: 50 27.509 1.999 0.544 0.492 0.939 0.673 CB 1.368 50 residues pruned to eliminate duplicates Z: 60 30.501 1.913 0.557 0.482 0.932 0.559 CB 1.457 84 residues pruned to eliminate duplicates Z: 52 25.043 1.895 0.548 0.509 0.902 0.647 CA 1.314 52 residues pruned to eliminate duplicates Z: 18 21.537 2.024 0.434 0.734 0.941 0.765 CB 1.550 18 residues pruned to eliminate duplicates Z: 9 9.187 1.863 0.764 0.569 0.875 0.500 CB 1.057 8 residues pruned to eliminate duplicates Z: 13 20.250 1.833 1.111 0.905 0.917 0.833 CA 1.173 13 residues pruned to eliminate duplicates Z: 11 9.877 1.667 0.567 0.562 0.900 0.800 CA 1.251 11 residues pruned to eliminate duplicates Z: 37 23.794 1.969 0.626 0.534 0.889 0.583 CB 1.348 37 residues pruned to eliminate duplicates Z: 70 33.212 1.951 0.468 0.605 0.928 0.609 CA 1.363 61 residues pruned to eliminate duplicates Z: 6 6.255 1.742 -0.100 0.795 1.000 1.000 CA 1.378 6 residues pruned to eliminate duplicates Z: 6 2.096 1.570 0.062 0.404 0.800 0.600 CB 0.777 Z: 48 22.854 1.978 0.487 0.438 0.894 0.553 CA 1.353 48 residues pruned to eliminate duplicates Z: 10 20.349 2.069 0.716 0.916 1.000 0.333 CB 1.349 11 residues pruned to eliminate duplicates Z: 7 2.455 1.521 -0.200 0.539 0.667 0.333 CA 1.189 Z: 30 19.729 1.853 0.757 0.531 0.828 0.448 CA 1.318 30 residues pruned to eliminate duplicates Z: 54 33.781 2.099 0.580 0.585 0.943 0.585 CB 1.366 54 residues pruned to eliminate duplicates Z: 13 17.922 1.865 0.902 0.895 0.917 0.583 CA 1.141 13 residues pruned to eliminate duplicates Z: 15 17.047 1.992 0.435 0.858 0.929 0.429 CB 1.263 15 residues pruned to eliminate duplicates Z: 9 4.161 1.494 0.461 0.290 1.000 0.375 CB 0.853 Z: 15 5.700 1.647 0.312 0.190 0.857 0.429 CA 1.192 Z: 8 9.202 1.893 0.396 0.600 0.857 0.714 CA 1.395 7 residues pruned to eliminate duplicates Z: 16 10.041 1.763 0.452 0.578 0.733 0.600 CA 1.281 16 residues pruned to eliminate duplicates Z: 12 9.598 1.600 0.605 0.892 0.909 0.727 CB 0.890 12 residues pruned to eliminate duplicates Z: 7 2.639 1.537 0.447 0.343 0.833 0.500 CB 0.690 6 residues pruned to eliminate duplicates Z: 9 3.162 1.567 0.019 0.440 0.750 0.375 CB 0.994 Z: 52 28.098 1.953 0.593 0.525 0.902 0.569 CB 1.368 52 residues pruned to eliminate duplicates Z: 52 15.639 1.696 0.494 0.426 0.863 0.569 CB 1.082 52 residues pruned to eliminate duplicates Z: 9 11.969 1.907 0.762 0.449 1.000 0.750 CB 1.328 9 residues pruned to eliminate duplicates Z: 13 23.840 1.863 0.857 0.897 1.000 0.833 CB 1.423 13 residues pruned to eliminate duplicates Z: 13 9.493 1.869 0.500 0.381 0.750 0.583 CA 1.479 13 residues pruned to eliminate duplicates Z: 8 10.727 1.900 0.455 0.855 1.000 0.571 CB 1.082 8 residues pruned to eliminate duplicates Z: 12 9.734 1.875 0.003 0.848 0.909 0.727 CB 1.273 12 residues pruned to eliminate duplicates Z: 10 8.661 1.864 0.553 0.368 0.778 0.444 CA 1.477 10 residues pruned to eliminate duplicates Z: 7 4.944 1.474 0.158 0.665 1.000 0.833 CA 1.015 7 residues pruned to eliminate duplicates Z: 16 9.808 1.710 0.464 0.805 0.800 0.467 CB 0.969 16 residues pruned to eliminate duplicates Z: 12 16.220 2.152 0.116 0.860 1.000 0.818 CB 1.497 12 residues pruned to eliminate duplicates Z: 6 3.632 1.607 0.029 0.535 0.800 0.600 C 1.186 Z: 9 9.135 1.699 0.306 0.844 1.000 1.000 CA 1.083 9 residues pruned to eliminate duplicates Z: 7 3.975 1.525 0.686 0.357 0.667 0.500 N 1.105 7 residues pruned to eliminate duplicates Z: 14 20.951 1.997 0.694 0.917 0.846 0.462 CA 1.432 14 residues pruned to eliminate duplicates Z: 7 9.466 1.746 0.328 0.794 1.000 0.500 CA 1.288 7 residues pruned to eliminate duplicates Z: 8 8.179 1.809 0.476 0.855 0.714 0.429 CA 1.196 8 residues pruned to eliminate duplicates Z: 33 19.941 1.854 0.651 0.483 0.906 0.469 CA 1.294 48 residues pruned to eliminate duplicates Z: 29 18.426 1.721 0.644 0.594 0.929 0.571 CA 1.211 29 residues pruned to eliminate duplicates Z: 15 19.274 1.698 1.003 0.877 1.000 0.643 CA 1.100 23 residues pruned to eliminate duplicates Z: 9 17.642 2.050 0.781 0.875 1.000 0.625 CB 1.242 9 residues pruned to eliminate duplicates Z: 12 20.663 1.844 0.649 0.893 1.000 0.909 CA 1.471 12 residues pruned to eliminate duplicates Z: 67 38.883 2.035 0.561 0.635 0.924 0.682 CB 1.436 67 residues pruned to eliminate duplicates Z: 7 8.669 1.919 0.143 0.802 1.000 0.667 CA 1.240 7 residues pruned to eliminate duplicates Z: 12 14.833 1.833 0.390 0.866 0.909 0.909 CB 1.414 12 residues pruned to eliminate duplicates Z: 14 36.346 2.174 0.869 0.932 1.000 0.615 CA 1.733 14 residues pruned to eliminate duplicates Z: 10 11.976 1.839 0.414 0.888 1.000 1.000 CA 1.106 10 residues pruned to eliminate duplicates 7 1.547 1.527 0.410 0.257 0.500 0.333 N 0.775 ? Z: 7 4.125 1.680 0.217 0.523 0.833 0.667 CB 0.966 Z: 7 12.008 1.791 0.892 0.822 1.000 0.833 CA 1.094 7 residues pruned to eliminate duplicates Z: 33 24.205 1.992 0.638 0.600 0.906 0.625 CA 1.316 33 residues pruned to eliminate duplicates Z: 7 2.873 1.401 0.523 0.497 0.667 0.333 C 0.827 Z: 40 21.690 1.940 0.494 0.509 0.923 0.513 CA 1.286 40 residues pruned to eliminate duplicates Z: 12 16.297 1.831 0.540 0.862 0.909 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 10 18.341 2.055 0.818 0.900 1.000 0.889 CA 1.168 10 residues pruned to eliminate duplicates Z: 13 15.283 1.859 0.577 0.886 1.000 0.583 CB 1.086 13 residues pruned to eliminate duplicates Z: 30 20.485 1.955 0.501 0.476 0.931 0.586 CB 1.427 19 residues pruned to eliminate duplicates Z: 11 3.176 1.646 0.265 0.295 0.600 0.500 CB 1.011 11 residues pruned to eliminate duplicates Z: 14 13.762 1.574 0.697 0.856 0.846 0.692 CB 1.244 14 residues pruned to eliminate duplicates Z: 14 18.448 1.866 0.534 0.878 0.923 0.615 CB 1.406 14 residues pruned to eliminate duplicates Z: 11 17.658 1.874 0.530 0.886 1.000 0.800 CB 1.404 11 residues pruned to eliminate duplicates Z: 6 7.845 1.780 0.253 0.782 1.000 0.800 CA 1.227 6 residues pruned to eliminate duplicates Z: 6 2.330 1.566 0.154 0.403 0.600 0.600 N 1.065 5 residues pruned to eliminate duplicates Z: 10 19.744 1.996 0.958 0.869 0.889 0.667 CA 1.384 10 residues pruned to eliminate duplicates Z: 10 11.238 1.982 0.446 0.870 0.889 0.778 CB 1.074 10 residues pruned to eliminate duplicates Z: 17 19.403 1.941 0.414 0.911 1.000 0.875 CA 1.253 17 residues pruned to eliminate duplicates Z: 34 27.839 2.059 0.533 0.556 0.970 0.576 CB 1.500 34 residues pruned to eliminate duplicates Z: 9 9.393 1.776 0.514 0.855 1.000 0.500 CA 0.911 9 residues pruned to eliminate duplicates Z: 6 7.528 1.437 0.684 0.860 1.000 0.800 N 1.023 6 residues pruned to eliminate duplicates Z: 8 9.280 1.844 0.451 0.767 0.857 0.714 CA 1.206 8 residues pruned to eliminate duplicates Z: 11 13.102 1.715 0.716 0.909 1.000 0.900 CA 0.999 11 residues pruned to eliminate duplicates Z: 7 4.165 1.534 0.823 0.541 0.667 0.667 CB 0.877 7 residues pruned to eliminate duplicates Z: 8 8.747 1.805 0.618 0.412 1.000 0.571 CB 1.241 8 residues pruned to eliminate duplicates Z: 11 10.850 1.887 0.485 0.506 1.000 0.600 CB 1.217 11 residues pruned to eliminate duplicates Z: 6 5.654 1.629 0.076 0.694 1.000 0.600 CA 1.208 6 residues pruned to eliminate duplicates Z: 29 22.796 2.008 0.789 0.588 0.893 0.714 CB 1.235 29 residues pruned to eliminate duplicates Z: 45 31.384 2.055 0.728 0.600 0.818 0.432 CA 1.480 45 residues pruned to eliminate duplicates Z: 11 15.646 1.819 0.359 0.914 1.000 1.000 CA 1.415 11 residues pruned to eliminate duplicates Z: 18 19.940 1.879 0.808 0.554 0.941 0.647 CB 1.434 18 residues pruned to eliminate duplicates Z: 9 2.710 1.184 0.004 0.736 1.000 0.875 CB 0.652 Z: 16 4.919 1.467 0.373 0.219 0.800 0.467 CA 1.095 16 residues pruned to eliminate duplicates Z: 29 19.098 1.816 0.613 0.614 0.893 0.571 CA 1.239 29 residues pruned to eliminate duplicates Z: 6 5.187 1.709 0.166 0.452 1.000 0.600 CB 1.223 6 residues pruned to eliminate duplicates Z: 12 12.029 1.747 0.397 0.917 1.000 1.000 CB 1.049 12 residues pruned to eliminate duplicates Z: 30 29.207 2.088 0.761 0.617 0.931 0.655 CB 1.419 30 residues pruned to eliminate duplicates Z: 8 7.810 1.686 0.035 0.889 1.000 1.000 CA 1.218 8 residues pruned to eliminate duplicates Z: 14 13.431 1.570 0.671 0.892 1.000 0.692 CB 1.020 14 residues pruned to eliminate duplicates Z: 24 23.887 1.966 0.617 0.650 0.957 0.826 CB 1.424 24 residues pruned to eliminate duplicates Z: 34 20.456 1.903 0.460 0.445 0.939 0.697 CB 1.444 35 residues pruned to eliminate duplicates Z: 31 14.896 1.680 0.462 0.432 0.900 0.500 CA 1.320 31 residues pruned to eliminate duplicates Z: 28 15.895 1.841 0.286 0.516 0.926 0.593 CA 1.374 28 residues pruned to eliminate duplicates Z: 10 7.996 1.703 0.926 0.548 0.778 0.556 CB 0.996 7 residues pruned to eliminate duplicates Z: 14 10.884 1.858 0.254 0.841 0.769 0.308 CB 1.256 14 residues pruned to eliminate duplicates Z: 15 25.259 1.941 0.888 0.852 1.000 0.643 CA 1.362 14 residues pruned to eliminate duplicates Z: 9 17.948 1.882 1.031 0.840 1.000 0.625 CB 1.239 9 residues pruned to eliminate duplicates Z: 9 7.690 1.884 0.352 0.766 0.875 0.625 CA 0.963 9 residues pruned to eliminate duplicates Z: 7 3.890 1.642 0.218 0.433 1.000 0.333 CB 0.851 7 residues pruned to eliminate duplicates Z: 6 2.191 1.289 0.311 0.324 1.000 0.200 N 0.704 Z: 8 6.807 1.877 0.940 0.440 0.714 0.571 CB 1.052 8 residues pruned to eliminate duplicates Z: 8 5.405 1.535 0.236 0.436 1.000 0.571 CB 1.150 8 residues pruned to eliminate duplicates Z: 16 14.063 1.828 0.320 0.831 0.933 0.667 CB 1.211 16 residues pruned to eliminate duplicates Z: 11 9.295 1.646 0.611 0.889 0.900 0.700 CB 0.886 11 residues pruned to eliminate duplicates Z: 6 2.915 1.636 0.001 0.604 0.800 0.800 CB 0.901 6 residues pruned to eliminate duplicates Z: 9 11.669 1.649 0.979 0.841 1.000 0.750 CA 0.942 10 residues pruned to eliminate duplicates Z: 21 8.391 1.706 0.532 0.496 0.850 0.500 CB 0.848 10 residues pruned to eliminate duplicates Z: 33 18.599 1.946 0.472 0.455 0.906 0.375 CA 1.327 33 residues pruned to eliminate duplicates Z: 40 18.689 1.861 0.481 0.487 0.872 0.692 CB 1.263 40 residues pruned to eliminate duplicates Z: 10 6.049 1.539 0.421 0.347 1.000 0.556 CA 1.088 10 residues pruned to eliminate duplicates Z: 55 35.616 2.050 0.578 0.590 0.944 0.685 CB 1.455 55 residues pruned to eliminate duplicates Z: 10 5.197 1.822 0.498 0.178 0.889 0.444 CB 1.053 10 residues pruned to eliminate duplicates Z: 6 4.735 1.399 0.486 0.458 1.000 0.800 N 1.064 Z: 7 6.452 1.451 0.612 0.711 1.000 1.000 CA 0.930 7 residues pruned to eliminate duplicates Z: 12 8.844 1.593 0.858 0.359 0.909 0.545 CB 1.153 12 residues pruned to eliminate duplicates Z: 7 8.824 1.627 0.401 0.754 1.000 1.000 CA 1.260 7 residues pruned to eliminate duplicates Z: 19 20.704 1.930 0.572 0.742 0.944 0.833 CB 1.372 19 residues pruned to eliminate duplicates Z: 82 34.856 1.974 0.588 0.493 0.914 0.519 CA 1.362 82 residues pruned to eliminate duplicates Z: 12 13.359 1.743 0.359 0.892 1.000 0.818 CB 1.222 12 residues pruned to eliminate duplicates Z: 11 4.405 1.495 0.679 0.282 0.700 0.600 CA 1.014 Z: 12 12.518 1.953 0.128 0.924 1.000 0.818 CB 1.203 12 residues pruned to eliminate duplicates Z: 12 18.361 1.917 0.753 0.906 1.000 0.727 CA 1.172 12 residues pruned to eliminate duplicates Z: 6 5.759 1.571 0.547 0.496 1.000 0.400 CB 1.064 6 residues pruned to eliminate duplicates Z: 20 21.113 1.995 0.661 0.620 0.895 0.684 CB 1.459 20 residues pruned to eliminate duplicates Z: 6 3.155 1.722 0.502 0.241 1.000 0.200 CB 0.736 6 residues pruned to eliminate duplicates Z: 9 8.267 1.574 0.581 0.818 1.000 0.750 CB 0.891 9 residues pruned to eliminate duplicates Z: 7 6.417 1.757 0.603 0.832 0.833 0.667 CB 0.838 7 residues pruned to eliminate duplicates Z: 11 14.138 1.857 0.451 0.875 0.900 0.700 CB 1.341 11 residues pruned to eliminate duplicates Z: 15 19.265 1.907 0.824 0.905 0.929 0.857 CA 1.134 15 residues pruned to eliminate duplicates Z: 7 6.301 1.589 0.074 0.845 1.000 0.667 CA 1.121 7 residues pruned to eliminate duplicates Z: 8 11.098 1.967 0.683 0.718 0.857 0.714 CB 1.214 8 residues pruned to eliminate duplicates Z: 10 15.549 1.834 0.819 0.888 1.000 1.000 CB 1.119 10 residues pruned to eliminate duplicates Z: 27 17.336 1.893 0.646 0.592 0.923 0.500 CA 1.083 27 residues pruned to eliminate duplicates Z: 11 8.191 1.638 0.589 0.903 1.000 0.700 CB 0.709 11 residues pruned to eliminate duplicates Z: 51 32.237 1.989 0.634 0.542 0.980 0.620 CB 1.373 51 residues pruned to eliminate duplicates Z: 29 21.467 1.935 0.555 0.577 0.893 0.679 CA 1.402 29 residues pruned to eliminate duplicates Z: 40 35.667 2.054 0.575 0.686 0.974 0.641 CB 1.528 40 residues pruned to eliminate duplicates Z: 21 23.282 2.018 0.818 0.614 0.900 0.500 CA 1.415 21 residues pruned to eliminate duplicates Z: 17 20.809 1.998 0.444 0.896 0.938 0.812 CB 1.378 17 residues pruned to eliminate duplicates Z: 9 8.162 1.789 0.415 0.576 1.000 0.375 CB 1.060 9 residues pruned to eliminate duplicates Z: 12 9.907 1.676 0.136 0.876 0.909 0.909 CB 1.253 12 residues pruned to eliminate duplicates Z: 14 23.780 1.978 0.708 0.911 1.000 0.769 CB 1.383 14 residues pruned to eliminate duplicates Z: 8 8.923 2.015 0.350 0.566 0.857 0.571 CA 1.357 8 residues pruned to eliminate duplicates Z: 11 4.455 1.633 0.463 0.241 0.800 0.600 CB 0.995 Z: 16 15.468 1.908 0.431 0.809 0.933 0.533 CA 1.198 16 residues pruned to eliminate duplicates Z: 6 6.100 1.399 0.992 0.772 1.000 0.800 CA 0.770 Z: 15 21.646 1.848 0.805 0.903 1.000 0.857 CB 1.236 15 residues pruned to eliminate duplicates Z: 46 24.934 2.026 0.684 0.478 0.867 0.600 CB 1.286 46 residues pruned to eliminate duplicates Z: 35 17.448 1.832 0.792 0.321 0.853 0.471 CB 1.301 35 residues pruned to eliminate duplicates Z: 9 7.808 1.697 0.488 0.909 1.000 1.000 CB 0.776 9 residues pruned to eliminate duplicates Z: 6 2.141 1.324 0.220 0.671 0.600 0.000 CA 0.844 6 residues pruned to eliminate duplicates Z: 67 33.839 1.993 0.449 0.609 0.924 0.606 CB 1.407 67 residues pruned to eliminate duplicates Z: 20 19.006 1.923 0.654 0.761 0.842 0.737 CB 1.291 20 residues pruned to eliminate duplicates Z: 9 11.186 1.659 0.727 0.851 1.000 0.625 CA 1.022 9 residues pruned to eliminate duplicates Z: 10 3.329 1.517 0.202 0.183 0.778 0.333 CB 1.146 Z: 23 18.147 1.651 0.691 0.653 0.909 0.545 CB 1.323 44 residues pruned to eliminate duplicates Z: 9 7.091 1.802 0.241 0.779 0.875 0.500 CA 1.002 9 residues pruned to eliminate duplicates Z: 46 31.201 2.018 0.645 0.593 0.889 0.444 CB 1.442 46 residues pruned to eliminate duplicates Z: 37 27.281 2.109 0.591 0.538 0.889 0.556 CB 1.468 37 residues pruned to eliminate duplicates Z: 7 2.077 1.504 0.294 0.401 1.000 0.500 CB 0.483 Z: 61 29.970 1.959 0.644 0.443 0.900 0.550 CA 1.415 61 residues pruned to eliminate duplicates Z: 12 18.480 2.023 0.884 0.915 1.000 0.636 CB 1.033 12 residues pruned to eliminate duplicates Z: 25 11.464 1.661 0.633 0.394 0.875 0.583 CA 1.104 16 residues pruned to eliminate duplicates Z: 6 9.373 1.850 0.439 0.621 1.000 0.400 N 1.405 6 residues pruned to eliminate duplicates Z: 37 26.506 2.062 0.507 0.587 0.917 0.694 CB 1.427 37 residues pruned to eliminate duplicates Z: 8 5.050 1.824 0.261 0.361 0.857 0.714 CB 1.125 8 residues pruned to eliminate duplicates Z: 6 7.508 1.744 0.302 0.835 1.000 1.000 CA 1.108 6 residues pruned to eliminate duplicates Z: 29 16.157 1.744 0.520 0.453 0.857 0.714 CB 1.409 29 residues pruned to eliminate duplicates Z: 28 15.635 1.825 0.379 0.576 0.926 0.741 CA 1.200 31 residues pruned to eliminate duplicates Z: 83 34.130 1.928 0.508 0.551 0.939 0.659 CB 1.314 84 residues pruned to eliminate duplicates Z: 6 8.483 1.835 0.650 0.860 1.000 1.000 CA 0.922 6 residues pruned to eliminate duplicates Z: 14 13.549 1.595 0.511 0.899 1.000 0.769 CB 1.115 14 residues pruned to eliminate duplicates Z: 63 27.768 1.965 0.482 0.490 0.935 0.597 CB 1.308 63 residues pruned to eliminate duplicates Z: 17 5.092 1.677 0.316 0.252 0.688 0.312 CB 1.115 17 residues pruned to eliminate duplicates Z: 6 3.096 1.322 1.098 0.297 0.800 0.400 CB 0.783 Z: 11 12.814 1.984 0.781 0.905 0.900 0.500 CB 0.907 11 residues pruned to eliminate duplicates Z: 8 10.124 1.987 0.045 0.802 1.000 0.571 CA 1.415 8 residues pruned to eliminate duplicates Z: 7 2.036 1.372 0.197 0.510 0.833 0.667 CB 0.602 Z: 63 33.778 1.997 0.668 0.521 0.903 0.597 CB 1.397 63 residues pruned to eliminate duplicates Z: 8 5.593 1.600 0.858 0.561 0.857 0.714 CB 0.782 Z: 37 26.076 1.971 0.639 0.573 0.917 0.500 CB 1.369 30 residues pruned to eliminate duplicates Z: 18 12.849 1.804 0.580 0.477 0.941 0.647 CA 1.189 18 residues pruned to eliminate duplicates Z: 7 8.535 1.753 0.418 0.645 1.000 0.333 CB 1.224 7 residues pruned to eliminate duplicates Z: 15 18.483 1.735 0.873 0.811 0.929 0.500 CA 1.249 Z: 7 5.085 1.533 1.162 0.823 0.833 0.667 CB 0.568 7 residues pruned to eliminate duplicates Z: 7 7.439 1.391 1.059 0.789 0.833 0.667 CA 0.987 7 residues pruned to eliminate duplicates Z: 10 18.318 1.901 0.718 0.915 1.000 1.000 CA 1.322 10 residues pruned to eliminate duplicates Z: 10 10.011 1.801 0.483 0.603 0.889 0.778 CA 1.274 10 residues pruned to eliminate duplicates Z: 6 6.841 1.712 0.565 0.674 1.000 0.800 CB 0.972 Z: 15 15.299 1.973 0.761 0.341 1.000 0.857 CB 1.399 15 residues pruned to eliminate duplicates Z: 8 4.386 1.538 0.635 0.543 0.857 0.857 CB 0.737 8 residues pruned to eliminate duplicates Z: 21 19.512 1.955 0.799 0.562 0.800 0.250 CA 1.460 21 residues pruned to eliminate duplicates Z: 50 27.181 1.934 0.555 0.586 0.878 0.673 CB 1.355 52 residues pruned to eliminate duplicates Z: 7 5.161 1.357 0.672 0.460 1.000 0.500 N 0.967 Z: 11 9.366 1.766 0.930 0.505 0.700 0.600 N 1.235 11 residues pruned to eliminate duplicates Z: 69 30.211 1.981 0.576 0.490 0.882 0.559 CB 1.344 77 residues pruned to eliminate duplicates Z: 28 25.844 1.925 0.755 0.665 0.926 0.481 CA 1.365 30 residues pruned to eliminate duplicates Z: 11 15.008 2.093 0.682 0.902 1.000 0.600 CB 0.962 11 residues pruned to eliminate duplicates Z: 6 4.307 1.493 0.364 0.483 0.800 0.600 CB 1.203 6 residues pruned to eliminate duplicates Z: 15 22.024 1.935 1.228 0.882 0.857 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 10 9.109 1.497 0.727 0.590 0.889 0.556 C 1.212 10 residues pruned to eliminate duplicates Z: 10 4.905 1.667 0.236 0.366 0.778 0.333 CA 1.178 Z: 43 28.006 2.024 0.628 0.519 0.905 0.524 CB 1.422 43 residues pruned to eliminate duplicates Z: 29 13.028 1.882 0.426 0.299 0.893 0.536 CB 1.286 29 residues pruned to eliminate duplicates Z: 8 12.567 1.808 0.768 0.643 0.857 0.857 CA 1.517 8 residues pruned to eliminate duplicates Z: 11 19.695 1.900 0.756 0.931 0.900 0.800 CA 1.449 11 residues pruned to eliminate duplicates Z: 6 4.970 1.586 0.348 0.586 0.800 0.800 O 1.196 6 residues pruned to eliminate duplicates Z: 9 9.498 1.811 0.212 0.568 1.000 0.500 CA 1.433 7 residues pruned to eliminate duplicates Z: 7 4.090 1.619 0.341 0.358 0.833 0.667 CA 1.076 7 residues pruned to eliminate duplicates Z: 38 19.462 1.880 0.624 0.389 0.892 0.595 CB 1.321 53 residues pruned to eliminate duplicates Z: 7 2.438 1.362 0.518 0.327 0.667 0.333 CB 0.873 Z: 28 13.586 1.770 0.550 0.419 0.815 0.667 CB 1.273 47 residues pruned to eliminate duplicates Z: 8 4.866 1.667 0.554 0.403 0.714 0.571 CB 1.101 5 residues pruned to eliminate duplicates Z: 8 7.550 1.747 0.470 0.721 0.857 0.571 CA 1.062 8 residues pruned to eliminate duplicates Z: 7 9.025 1.770 0.416 0.792 1.000 0.667 CA 1.138 7 residues pruned to eliminate duplicates Z: 15 8.234 1.649 0.320 0.412 0.857 0.643 CB 1.293 15 residues pruned to eliminate duplicates Z: 10 13.746 1.887 0.701 0.880 1.000 0.889 CB 1.034 10 residues pruned to eliminate duplicates Z: 10 15.336 1.845 0.811 0.880 1.000 0.333 CB 1.108 10 residues pruned to eliminate duplicates Z: 13 18.845 1.901 0.680 0.883 1.000 0.417 CB 1.231 13 residues pruned to eliminate duplicates 7 1.780 1.623 -0.282 0.420 0.833 0.500 CB 0.814 ? 6 0.902 1.111 -0.140 0.294 0.600 0.400 CB 0.887 ? Z: 6 9.241 1.559 0.517 0.860 1.000 0.800 CA 1.285 6 residues pruned to eliminate duplicates Z: 6 3.047 1.430 0.111 0.297 1.000 0.600 CA 1.077 Z: 6 2.564 1.425 -0.020 0.787 0.800 0.400 CA 0.798 5 residues pruned to eliminate duplicates Z: 7 4.836 1.695 0.358 0.585 1.000 0.333 CA 0.791 7 residues pruned to eliminate duplicates Z: 31 20.334 1.857 0.607 0.505 0.900 0.467 CA 1.375 31 residues pruned to eliminate duplicates Z: 29 17.239 1.791 0.687 0.451 0.893 0.571 CB 1.270 29 residues pruned to eliminate duplicates Z: 7 2.731 1.498 0.004 0.295 0.833 0.500 CB 1.119 Z: 12 9.368 1.785 0.572 0.420 0.909 0.455 CB 1.203 12 residues pruned to eliminate duplicates Z: 37 21.421 1.903 0.475 0.492 0.917 0.611 CB 1.399 37 residues pruned to eliminate duplicates Z: 12 9.200 1.587 0.457 0.914 1.000 0.636 CB 0.848 12 residues pruned to eliminate duplicates Z: 7 2.822 1.396 0.731 0.376 0.667 0.333 CB 0.817 Z: 34 18.941 1.946 0.752 0.487 0.818 0.636 CB 1.199 34 residues pruned to eliminate duplicates 6 1.800 1.571 0.373 0.101 0.600 0.200 CB 1.036 ? Z: 76 35.808 2.062 0.574 0.455 0.920 0.560 CB 1.450 76 residues pruned to eliminate duplicates Z: 16 7.197 1.656 0.392 0.396 0.733 0.467 CA 1.228 16 residues pruned to eliminate duplicates Z: 8 5.167 1.469 0.150 0.707 1.000 0.571 CB 0.957 8 residues pruned to eliminate duplicates Z: 17 21.249 1.948 0.474 0.902 0.938 0.750 CA 1.408 17 residues pruned to eliminate duplicates Z: 22 14.338 1.964 0.599 0.319 0.905 0.429 CB 1.344 22 residues pruned to eliminate duplicates Z: 16 10.146 1.964 0.140 0.414 0.867 0.600 CA 1.478 16 residues pruned to eliminate duplicates Z: 27 14.545 1.857 0.306 0.525 0.885 0.615 CA 1.297 27 residues pruned to eliminate duplicates Z: 6 4.353 1.347 1.037 0.668 1.000 1.000 CA 0.607 Z: 24 26.942 2.071 0.549 0.633 1.000 0.826 CA 1.546 24 residues pruned to eliminate duplicates Z: 9 2.764 1.490 0.350 0.291 0.625 0.375 CB 0.983 7 0.835 1.128 0.146 0.246 0.667 0.333 C 0.530 ? Z: 19 10.161 1.719 0.499 0.603 0.778 0.500 CB 1.083 21 residues pruned to eliminate duplicates Z: 38 23.255 1.884 0.593 0.546 0.865 0.324 CA 1.408 38 residues pruned to eliminate duplicates Z: 51 25.766 1.882 0.565 0.518 0.940 0.560 CB 1.294 51 residues pruned to eliminate duplicates Z: 13 22.638 1.935 0.874 0.847 0.917 0.667 CA 1.460 13 residues pruned to eliminate duplicates Z: 8 4.877 1.531 0.239 0.436 0.857 0.571 CA 1.210 8 residues pruned to eliminate duplicates Z: 65 27.287 1.835 0.480 0.584 0.875 0.562 CA 1.324 65 residues pruned to eliminate duplicates Z: 6 2.386 1.486 0.247 0.311 0.800 0.400 CB 0.887 Z: 45 24.963 1.921 0.796 0.489 0.773 0.432 CA 1.428 45 residues pruned to eliminate duplicates Z: 8 7.910 1.503 0.472 0.653 1.000 0.571 CA 1.172 Z: 8 5.069 1.628 0.339 0.367 0.857 0.571 CB 1.182 6 1.990 1.104 0.255 0.525 1.000 0.600 O 0.627 ? Z: 30 15.974 1.978 0.501 0.511 0.793 0.552 CB 1.246 30 residues pruned to eliminate duplicates Z: 23 18.068 1.872 0.701 0.546 0.909 0.591 CA 1.272 23 residues pruned to eliminate duplicates Z: 12 10.152 1.695 0.167 0.874 0.818 0.636 CA 1.377 12 residues pruned to eliminate duplicates Z: 12 13.909 1.796 0.433 0.869 1.000 0.909 CB 1.190 12 residues pruned to eliminate duplicates Z: 36 17.255 1.889 0.395 0.506 0.914 0.600 CB 1.203 58 residues pruned to eliminate duplicates Z: 18 6.624 1.591 0.158 0.353 0.824 0.412 CB 1.242 8 residues pruned to eliminate duplicates Z: 20 17.749 1.886 0.966 0.615 0.842 0.526 CB 1.169 20 residues pruned to eliminate duplicates Z: 10 6.133 1.715 0.200 0.315 0.889 0.667 CA 1.370 12 residues pruned to eliminate duplicates Z: 12 15.353 1.784 0.568 0.736 1.000 0.818 CA 1.339 12 residues pruned to eliminate duplicates Z: 11 16.161 1.820 0.829 0.908 1.000 1.000 CA 1.090 11 residues pruned to eliminate duplicates Z: 20 16.973 1.899 0.684 0.506 0.947 0.789 CB 1.277 20 residues pruned to eliminate duplicates Z: 14 14.789 1.596 0.721 0.895 1.000 0.538 CB 1.070 13 residues pruned to eliminate duplicates Z: 18 21.649 1.984 0.616 0.866 0.941 0.706 CA 1.274 18 residues pruned to eliminate duplicates Z: 14 11.970 1.597 0.305 0.911 1.000 0.846 CB 1.130 14 residues pruned to eliminate duplicates Z: 13 11.421 1.983 0.679 0.291 1.000 0.833 CB 1.253 13 residues pruned to eliminate duplicates Z: 18 12.958 1.963 0.387 0.398 0.941 0.529 CB 1.365 18 residues pruned to eliminate duplicates Z: 7 5.926 1.595 0.699 0.718 1.000 0.667 CA 0.733 7 residues pruned to eliminate duplicates Z: 13 6.699 1.828 0.314 0.453 0.750 0.333 CB 1.127 13 residues pruned to eliminate duplicates Z: 6 5.079 1.696 0.256 0.599 1.000 0.600 CB 0.970 6 residues pruned to eliminate duplicates Z: 11 14.508 1.708 0.562 0.924 1.000 0.800 CB 1.208 11 residues pruned to eliminate duplicates 6 1.944 1.173 0.340 0.453 0.800 0.400 O 0.726 ? Z: 19 11.107 1.718 0.514 0.311 0.944 0.444 N 1.313 17 residues pruned to eliminate duplicates Z: 36 28.166 2.039 0.469 0.633 0.914 0.686 CB 1.535 36 residues pruned to eliminate duplicates Z: 16 14.306 1.935 0.242 0.663 1.000 0.733 CA 1.321 16 residues pruned to eliminate duplicates Z: 14 21.928 2.058 0.570 0.882 0.923 0.538 CB 1.476 14 residues pruned to eliminate duplicates Z: 9 4.798 1.784 0.328 0.434 0.875 0.750 CA 0.876 9 residues pruned to eliminate duplicates Z: 13 17.427 1.813 0.646 0.913 1.000 0.917 CB 1.193 13 residues pruned to eliminate duplicates Z: 11 17.471 1.809 0.848 0.797 0.900 0.600 CA 1.416 11 residues pruned to eliminate duplicates Z: 7 2.438 1.229 0.275 0.603 0.833 0.667 C 0.691 7 1.371 1.425 0.524 0.247 0.667 0.500 CB 0.518 ? Z: 12 7.103 1.466 0.449 0.819 1.000 0.727 CB 0.764 12 residues pruned to eliminate duplicates Z: 6 4.316 1.394 0.266 0.816 1.000 0.600 CA 0.831 6 residues pruned to eliminate duplicates Z: 8 3.397 1.602 0.275 0.400 0.571 0.571 CA 1.222 8 residues pruned to eliminate duplicates Z: 15 17.851 1.944 0.624 0.833 0.929 0.714 CA 1.221 16 residues pruned to eliminate duplicates 6 1.568 1.129 0.000 0.422 0.800 0.600 N 0.842 ? Z: 12 17.964 2.041 0.427 0.900 1.000 0.545 CA 1.329 12 residues pruned to eliminate duplicates Z: 9 2.561 1.367 0.381 0.323 0.750 0.375 CA 0.777 6 1.469 1.227 0.314 0.177 0.800 0.600 CB 0.752 ? Z: 15 8.406 1.604 0.187 0.721 0.857 0.571 CB 1.127 15 residues pruned to eliminate duplicates Z: 7 2.552 1.570 0.133 0.083 1.000 0.667 CB 1.004 Using tripeptides from previous cycle as seeds Z: 7 5.986 1.659 0.200 0.566 1.000 0.833 N 1.152 7 residues pruned to eliminate duplicates 6 0.961 1.095 0.116 0.440 1.000 0.800 N 0.374 ? Z: 14 8.684 1.643 0.561 0.677 0.923 0.692 CB 0.865 14 residues pruned to eliminate duplicates Z: 15 8.496 1.689 0.526 0.660 0.857 0.429 CB 0.886 15 residues pruned to eliminate duplicates Z: 8 9.363 1.753 0.676 0.875 1.000 0.571 CB 0.876 8 residues pruned to eliminate duplicates Z: 9 7.975 1.600 0.707 0.772 0.875 0.375 CB 0.928 Z: 11 7.182 1.658 0.541 0.863 0.700 0.300 CB 0.931 11 residues pruned to eliminate duplicates Z: 13 9.472 1.769 0.470 0.337 0.917 0.583 CB 1.371 13 residues pruned to eliminate duplicates Z: 19 8.690 1.668 0.421 0.375 0.833 0.611 CB 1.185 27 residues pruned to eliminate duplicates Z: 8 8.690 1.889 0.632 0.467 0.714 0.714 CA 1.542 8 residues pruned to eliminate duplicates Z: 19 10.737 1.710 0.484 0.427 0.889 0.556 CB 1.210 10 residues pruned to eliminate duplicates 6 1.708 1.038 0.318 0.378 1.000 0.600 CA 0.636 ? Z: 9 11.077 1.763 0.383 0.729 1.000 0.375 CA 1.307 9 residues pruned to eliminate duplicates Z: 14 6.836 1.616 0.346 0.469 0.846 0.538 N 1.063 10 residues pruned to eliminate duplicates Z: 8 10.221 1.799 0.502 0.766 1.000 0.571 CB 1.129 8 residues pruned to eliminate duplicates Z: 9 6.855 1.667 0.263 0.701 0.875 0.375 CA 1.096 9 residues pruned to eliminate duplicates Z: 15 6.370 1.584 0.441 0.423 0.714 0.500 N 1.131 15 residues pruned to eliminate duplicates Z: 10 8.903 1.661 0.462 0.641 0.889 0.667 CB 1.205 15 residues pruned to eliminate duplicates Z: 6 7.406 1.787 0.267 0.763 1.000 0.800 CA 1.158 6 residues pruned to eliminate duplicates Z: 15 6.554 1.561 0.308 0.452 0.786 0.500 CB 1.146 9 residues pruned to eliminate duplicates Z: 6 9.173 1.952 0.281 0.656 1.000 0.600 CB 1.419 6 residues pruned to eliminate duplicates Z: 18 10.059 1.738 0.534 0.379 0.824 0.529 CB 1.265 18 residues pruned to eliminate duplicates Z: 11 10.514 1.861 0.898 0.409 0.900 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 12 9.134 1.787 0.712 0.435 0.818 0.545 CA 1.177 12 residues pruned to eliminate duplicates Z: 49 30.172 2.013 0.697 0.561 0.938 0.521 CB 1.281 49 residues pruned to eliminate duplicates Z: 25 17.610 1.930 0.640 0.559 0.875 0.667 CB 1.226 25 residues pruned to eliminate duplicates Z: 31 22.290 2.054 0.641 0.530 0.933 0.633 CB 1.256 31 residues pruned to eliminate duplicates Z: 29 18.255 2.003 0.686 0.474 0.857 0.536 CB 1.224 29 residues pruned to eliminate duplicates Z: 33 20.680 2.017 0.605 0.513 0.938 0.594 CB 1.189 33 residues pruned to eliminate duplicates Z: 33 20.170 2.008 0.561 0.516 0.906 0.656 CA 1.235 33 residues pruned to eliminate duplicates Z: 37 23.163 1.967 0.621 0.542 0.917 0.556 CB 1.268 37 residues pruned to eliminate duplicates Z: 25 14.130 1.926 0.606 0.487 0.792 0.417 CB 1.194 25 residues pruned to eliminate duplicates Z: 34 24.189 1.981 0.652 0.540 0.939 0.606 CA 1.317 34 residues pruned to eliminate duplicates Z: 49 33.054 2.027 0.721 0.556 0.938 0.562 CA 1.381 49 residues pruned to eliminate duplicates Z: 32 22.071 1.980 0.695 0.550 0.935 0.484 CA 1.202 32 residues pruned to eliminate duplicates Z: 36 20.939 1.940 0.519 0.504 0.943 0.743 CB 1.269 36 residues pruned to eliminate duplicates Z: 36 19.692 1.931 0.589 0.487 0.914 0.543 CB 1.202 36 residues pruned to eliminate duplicates Z: 32 22.946 1.993 0.719 0.544 0.935 0.645 CB 1.231 32 residues pruned to eliminate duplicates Z: 37 17.881 1.909 0.464 0.415 0.917 0.500 CB 1.272 37 residues pruned to eliminate duplicates Z: 36 22.879 1.988 0.552 0.534 0.943 0.629 CB 1.286 36 residues pruned to eliminate duplicates Z: 31 20.216 1.949 0.491 0.526 0.933 0.667 CB 1.326 31 residues pruned to eliminate duplicates Z: 49 30.597 2.026 0.702 0.562 0.917 0.667 CB 1.315 49 residues pruned to eliminate duplicates Z: 32 21.350 2.036 0.613 0.518 0.903 0.548 CB 1.270 32 residues pruned to eliminate duplicates Z: 37 25.519 2.058 0.645 0.546 0.889 0.639 CA 1.351 37 residues pruned to eliminate duplicates Z: 44 21.351 1.918 0.551 0.499 0.837 0.465 CB 1.309 44 residues pruned to eliminate duplicates Z: 50 26.097 1.983 0.598 0.527 0.878 0.612 CB 1.306 50 residues pruned to eliminate duplicates Z: 33 24.008 2.018 0.584 0.558 0.969 0.594 CB 1.296 33 residues pruned to eliminate duplicates Z: 28 17.587 1.958 0.572 0.469 0.815 0.444 CB 1.393 28 residues pruned to eliminate duplicates Z: 48 25.474 1.966 0.692 0.476 0.872 0.468 CB 1.312 48 residues pruned to eliminate duplicates Z: 27 22.847 2.021 0.763 0.496 0.885 0.462 CB 1.427 27 residues pruned to eliminate duplicates Z: 25 23.634 2.047 0.709 0.474 0.917 0.458 CB 1.545 25 residues pruned to eliminate duplicates Z: 25 20.409 1.965 0.596 0.518 0.875 0.417 CB 1.491 25 residues pruned to eliminate duplicates Z: 26 18.317 1.931 0.623 0.465 0.840 0.520 CB 1.441 26 residues pruned to eliminate duplicates Z: 17 17.856 2.063 0.622 0.544 0.875 0.500 CB 1.461 17 residues pruned to eliminate duplicates Z: 16 22.959 2.083 0.778 0.580 0.933 0.667 CB 1.588 16 residues pruned to eliminate duplicates Z: 26 19.283 2.036 0.595 0.497 0.840 0.600 CB 1.418 26 residues pruned to eliminate duplicates Z: 25 20.357 2.042 0.601 0.516 0.917 0.667 CB 1.364 25 residues pruned to eliminate duplicates Z: 50 28.798 2.023 0.676 0.513 0.878 0.673 CB 1.365 50 residues pruned to eliminate duplicates Z: 18 17.542 2.000 0.640 0.563 0.882 0.765 CA 1.383 18 residues pruned to eliminate duplicates Z: 20 15.002 1.970 0.564 0.513 0.842 0.579 CB 1.309 20 residues pruned to eliminate duplicates Z: 29 16.516 1.878 0.580 0.402 0.857 0.464 CB 1.361 29 residues pruned to eliminate duplicates Z: 38 25.155 2.013 0.707 0.461 0.919 0.649 CB 1.363 35 residues pruned to eliminate duplicates Z: 15 20.470 1.924 0.845 0.755 0.929 0.643 CA 1.322 15 residues pruned to eliminate duplicates Z: 25 17.163 2.007 0.591 0.435 0.833 0.542 CA 1.409 25 residues pruned to eliminate duplicates Z: 26 17.255 1.923 0.667 0.499 0.800 0.560 CA 1.347 26 residues pruned to eliminate duplicates Z: 38 25.050 2.033 0.610 0.461 0.919 0.649 CA 1.425 38 residues pruned to eliminate duplicates Z: 29 13.340 1.917 0.520 0.294 0.786 0.607 CB 1.387 29 residues pruned to eliminate duplicates Z: 17 11.702 1.886 0.557 0.306 0.938 0.562 CA 1.318 17 residues pruned to eliminate duplicates Z: 18 12.759 1.837 0.674 0.320 0.941 0.706 CB 1.305 18 residues pruned to eliminate duplicates Z: 32 21.941 1.942 0.751 0.441 0.903 0.645 CB 1.364 32 residues pruned to eliminate duplicates Z: 15 12.784 1.942 0.611 0.306 0.929 0.571 CB 1.459 15 residues pruned to eliminate duplicates Z: 15 15.148 1.994 0.635 0.325 1.000 0.786 CA 1.505 15 residues pruned to eliminate duplicates Z: 15 14.686 2.006 0.660 0.323 0.929 0.714 CA 1.542 15 residues pruned to eliminate duplicates Z: 16 12.750 1.978 0.613 0.288 0.933 0.800 CA 1.403 16 residues pruned to eliminate duplicates Z: 42 21.404 1.997 0.557 0.408 0.902 0.488 CB 1.312 42 residues pruned to eliminate duplicates Z: 39 22.482 1.979 0.614 0.466 0.868 0.605 CA 1.360 39 residues pruned to eliminate duplicates Z: 16 13.717 1.985 0.571 0.282 1.000 0.667 CA 1.453 16 residues pruned to eliminate duplicates Z: 38 24.840 2.031 0.647 0.442 0.919 0.622 CB 1.411 38 residues pruned to eliminate duplicates Z: 29 24.542 2.061 0.751 0.464 0.893 0.679 CA 1.493 29 residues pruned to eliminate duplicates Z: 73 37.929 2.040 0.547 0.550 0.917 0.667 CB 1.472 87 residues pruned to eliminate duplicates Z: 10 14.615 1.797 0.790 0.777 1.000 0.222 CB 1.186 10 residues pruned to eliminate duplicates Z: 58 39.673 2.069 0.598 0.608 0.965 0.649 CB 1.486 58 residues pruned to eliminate duplicates Z: 60 35.814 2.056 0.476 0.622 0.949 0.610 CA 1.444 60 residues pruned to eliminate duplicates Z: 69 36.021 1.974 0.547 0.622 0.912 0.632 CB 1.398 69 residues pruned to eliminate duplicates Z: 63 37.656 2.029 0.625 0.607 0.919 0.629 CB 1.425 63 residues pruned to eliminate duplicates Z: 64 36.775 2.007 0.568 0.627 0.952 0.698 CB 1.371 64 residues pruned to eliminate duplicates Z: 42 32.419 2.013 0.608 0.647 0.951 0.585 CA 1.433 42 residues pruned to eliminate duplicates Z: 74 35.516 1.961 0.607 0.580 0.904 0.616 CB 1.352 74 residues pruned to eliminate duplicates Z: 61 43.048 2.077 0.655 0.654 0.967 0.650 CA 1.449 61 residues pruned to eliminate duplicates Z: 63 38.250 2.043 0.544 0.633 0.952 0.581 CB 1.429 63 residues pruned to eliminate duplicates Z: 22 14.642 1.819 0.747 0.608 0.857 0.476 CB 1.059 22 residues pruned to eliminate duplicates Z: 70 36.807 1.982 0.543 0.609 0.928 0.594 CB 1.408 70 residues pruned to eliminate duplicates Z: 49 35.706 2.103 0.521 0.596 0.958 0.688 CB 1.534 49 residues pruned to eliminate duplicates Z: 63 37.827 2.031 0.523 0.634 0.952 0.677 CA 1.439 63 residues pruned to eliminate duplicates Z: 64 38.687 2.017 0.608 0.602 0.952 0.683 CB 1.431 64 residues pruned to eliminate duplicates Z: 66 36.445 2.015 0.490 0.617 0.954 0.692 CB 1.414 66 residues pruned to eliminate duplicates Z: 68 36.174 1.983 0.594 0.600 0.910 0.627 CA 1.396 68 residues pruned to eliminate duplicates Z: 60 42.332 2.075 0.581 0.652 1.000 0.661 CA 1.459 60 residues pruned to eliminate duplicates Z: 42 34.054 2.007 0.720 0.669 0.951 0.610 CA 1.386 42 residues pruned to eliminate duplicates Z: 51 36.094 2.091 0.553 0.581 0.960 0.660 CA 1.515 51 residues pruned to eliminate duplicates Z: 63 38.781 2.035 0.604 0.622 0.952 0.677 CB 1.414 63 residues pruned to eliminate duplicates Z: 61 32.193 1.953 0.570 0.566 0.917 0.583 CB 1.387 61 residues pruned to eliminate duplicates Z: 62 40.960 2.047 0.609 0.628 0.967 0.639 CA 1.459 62 residues pruned to eliminate duplicates Z: 60 39.861 2.062 0.596 0.632 0.966 0.678 CB 1.441 60 residues pruned to eliminate duplicates Z: 66 36.486 2.012 0.572 0.598 0.923 0.615 CB 1.412 66 residues pruned to eliminate duplicates Z: 62 38.657 2.034 0.579 0.637 0.967 0.656 CB 1.401 62 residues pruned to eliminate duplicates Z: 61 43.558 2.068 0.739 0.639 0.950 0.600 CB 1.445 61 residues pruned to eliminate duplicates Z: 67 36.231 1.977 0.572 0.615 0.939 0.682 CB 1.370 67 residues pruned to eliminate duplicates Z: 42 28.379 1.958 0.659 0.612 0.951 0.634 CB 1.289 42 residues pruned to eliminate duplicates Z: 61 42.431 2.063 0.651 0.645 0.967 0.650 CA 1.453 61 residues pruned to eliminate duplicates Z: 67 35.708 1.999 0.549 0.618 0.924 0.652 CB 1.373 67 residues pruned to eliminate duplicates Z: 60 41.149 2.070 0.614 0.631 0.966 0.695 CA 1.468 60 residues pruned to eliminate duplicates Z: 61 44.451 2.074 0.729 0.642 0.967 0.717 CA 1.449 61 residues pruned to eliminate duplicates Z: 64 39.665 2.018 0.632 0.630 0.952 0.667 CB 1.411 64 residues pruned to eliminate duplicates Z: 61 43.095 2.057 0.667 0.634 0.983 0.733 CB 1.455 61 residues pruned to eliminate duplicates Z: 51 35.028 2.069 0.578 0.582 0.940 0.640 CA 1.492 51 residues pruned to eliminate duplicates Z: 25 21.599 2.012 0.574 0.577 0.917 0.792 CB 1.410 25 residues pruned to eliminate duplicates Z: 25 23.302 2.046 0.456 0.616 0.917 0.708 CA 1.561 25 residues pruned to eliminate duplicates Z: 59 39.744 2.045 0.638 0.617 0.983 0.586 CA 1.419 59 residues pruned to eliminate duplicates Z: 61 38.947 2.018 0.654 0.615 0.950 0.667 CA 1.422 61 residues pruned to eliminate duplicates Z: 59 41.640 2.036 0.715 0.624 0.966 0.638 CB 1.442 59 residues pruned to eliminate duplicates Z: 26 21.280 2.015 0.425 0.578 0.920 0.760 CB 1.495 26 residues pruned to eliminate duplicates Z: 50 31.560 2.047 0.468 0.560 0.939 0.714 CA 1.508 50 residues pruned to eliminate duplicates Z: 61 42.889 2.049 0.707 0.619 0.983 0.633 CA 1.438 61 residues pruned to eliminate duplicates Z: 29 21.406 1.943 0.534 0.536 0.929 0.750 CB 1.412 29 residues pruned to eliminate duplicates Z: 26 24.986 2.043 0.568 0.565 0.960 0.680 CA 1.525 26 residues pruned to eliminate duplicates Z: 20 26.327 2.011 0.723 0.744 1.000 0.842 CA 1.401 20 residues pruned to eliminate duplicates Z: 58 40.143 2.058 0.660 0.636 0.965 0.754 CA 1.419 58 residues pruned to eliminate duplicates Z: 17 18.421 2.062 0.266 0.800 0.938 0.812 CA 1.448 17 residues pruned to eliminate duplicates Z: 25 23.776 2.037 0.552 0.634 0.917 0.750 CB 1.477 25 residues pruned to eliminate duplicates Z: 20 21.241 1.946 0.532 0.633 0.947 0.632 CB 1.522 20 residues pruned to eliminate duplicates Z: 59 35.360 2.034 0.580 0.610 0.931 0.655 CA 1.398 59 residues pruned to eliminate duplicates Z: 65 38.692 1.986 0.661 0.606 0.922 0.594 CA 1.438 65 residues pruned to eliminate duplicates Z: 66 36.764 1.962 0.637 0.601 0.938 0.677 CB 1.373 66 residues pruned to eliminate duplicates Z: 50 34.403 2.064 0.608 0.598 0.939 0.694 CB 1.436 50 residues pruned to eliminate duplicates Z: 23 20.721 1.920 0.562 0.598 0.909 0.636 CA 1.477 23 residues pruned to eliminate duplicates Z: 58 36.044 2.003 0.596 0.612 0.965 0.684 CA 1.392 58 residues pruned to eliminate duplicates Z: 24 21.530 2.052 0.318 0.658 0.957 0.783 CB 1.499 24 residues pruned to eliminate duplicates Z: 23 9.183 1.691 0.378 0.518 0.727 0.500 CB 1.135 23 residues pruned to eliminate duplicates 7 1.903 1.670 0.108 0.195 0.667 0.167 CB 0.905 ? Z: 8 3.645 1.651 0.359 0.326 0.714 0.000 CB 1.041 8 residues pruned to eliminate duplicates Z: 46 22.972 1.839 0.502 0.588 0.867 0.556 CB 1.314 46 residues pruned to eliminate duplicates Z: 6 4.192 1.857 0.447 0.472 0.600 0.400 CB 1.197 6 residues pruned to eliminate duplicates Z: 9 5.046 1.885 0.323 0.537 0.625 0.375 CB 1.103 9 residues pruned to eliminate duplicates Z: 13 7.129 1.789 0.280 0.437 0.917 0.333 CB 1.046 13 residues pruned to eliminate duplicates Z: 15 11.153 1.812 0.456 0.726 0.857 0.500 CB 1.075 15 residues pruned to eliminate duplicates Z: 14 6.341 1.768 0.447 0.454 0.769 0.538 CB 0.937 14 residues pruned to eliminate duplicates Z: 17 11.058 1.747 0.709 0.632 0.750 0.375 CB 1.091 17 residues pruned to eliminate duplicates Z: 20 8.676 1.552 0.558 0.545 0.789 0.368 CB 0.998 20 residues pruned to eliminate duplicates Z: 14 9.709 1.788 0.723 0.638 0.692 0.308 CB 1.110 14 residues pruned to eliminate duplicates Z: 15 13.487 1.831 0.765 0.736 0.857 0.571 CB 1.053 15 residues pruned to eliminate duplicates Z: 16 9.612 1.682 0.389 0.663 0.867 0.533 CB 1.054 16 residues pruned to eliminate duplicates Z: 18 9.064 1.623 0.407 0.578 0.882 0.353 CB 1.012 18 residues pruned to eliminate duplicates Z: 12 9.204 1.816 0.703 0.730 0.818 0.364 CB 0.891 12 residues pruned to eliminate duplicates Z: 25 10.064 1.724 0.501 0.506 0.708 0.250 CB 1.114 25 residues pruned to eliminate duplicates Z: 38 22.215 1.834 0.570 0.595 0.892 0.622 CB 1.298 38 residues pruned to eliminate duplicates Z: 41 22.672 1.827 0.616 0.572 0.900 0.575 CB 1.258 41 residues pruned to eliminate duplicates Z: 49 22.381 1.829 0.568 0.555 0.833 0.521 CB 1.281 49 residues pruned to eliminate duplicates Z: 49 24.122 1.826 0.654 0.548 0.854 0.562 CB 1.288 49 residues pruned to eliminate duplicates Z: 40 25.087 1.856 0.656 0.598 0.897 0.564 CB 1.326 40 residues pruned to eliminate duplicates Z: 28 22.039 1.843 0.650 0.529 0.963 0.667 CA 1.408 28 residues pruned to eliminate duplicates Z: 17 10.689 1.783 0.601 0.300 0.875 0.562 CA 1.338 17 residues pruned to eliminate duplicates Z: 26 21.459 1.851 0.616 0.559 0.920 0.720 CA 1.472 26 residues pruned to eliminate duplicates Z: 30 20.319 1.807 0.629 0.481 0.931 0.586 CA 1.403 30 residues pruned to eliminate duplicates Z: 27 20.479 1.801 0.545 0.557 0.923 0.692 CA 1.480 27 residues pruned to eliminate duplicates Z: 33 22.535 1.814 0.699 0.549 0.938 0.594 CB 1.315 33 residues pruned to eliminate duplicates Z: 53 20.420 1.738 0.600 0.496 0.827 0.538 CB 1.236 53 residues pruned to eliminate duplicates Z: 40 24.870 1.842 0.646 0.588 0.923 0.487 CB 1.307 40 residues pruned to eliminate duplicates Z: 28 21.329 1.781 0.644 0.560 0.926 0.630 CB 1.430 28 residues pruned to eliminate duplicates Z: 28 21.116 1.816 0.679 0.548 0.889 0.704 CB 1.430 28 residues pruned to eliminate duplicates Z: 29 19.922 1.778 0.644 0.519 0.893 0.571 CB 1.415 29 residues pruned to eliminate duplicates Z: 39 20.791 1.831 0.573 0.589 0.842 0.500 CB 1.278 39 residues pruned to eliminate duplicates Z: 26 22.857 1.841 0.690 0.579 0.920 0.640 CA 1.479 26 residues pruned to eliminate duplicates Z: 18 18.667 1.807 0.710 0.621 0.941 0.588 CB 1.388 18 residues pruned to eliminate duplicates Z: 79 39.015 1.902 0.724 0.579 0.897 0.449 CB 1.390 146 residues pruned to eliminate duplicates Z: 11 22.294 1.901 0.763 0.919 1.000 0.500 CB 1.483 11 residues pruned to eliminate duplicates Z: 34 19.571 1.771 0.752 0.501 0.818 0.333 CB 1.340 34 residues pruned to eliminate duplicates Z: 57 25.682 1.798 0.660 0.539 0.929 0.482 CB 1.192 57 residues pruned to eliminate duplicates Z: 18 18.503 1.775 0.802 0.641 0.882 0.471 CB 1.393 18 residues pruned to eliminate duplicates Z: 26 21.934 1.843 0.713 0.516 0.880 0.440 CA 1.554 26 residues pruned to eliminate duplicates Z: 56 27.141 1.811 0.654 0.524 0.909 0.491 CB 1.313 51 residues pruned to eliminate duplicates Z: 12 19.613 1.850 0.831 0.851 0.818 0.273 N 1.580 12 residues pruned to eliminate duplicates Z: 67 33.345 1.853 0.674 0.606 0.909 0.545 CB 1.316 67 residues pruned to eliminate duplicates Z: 48 25.821 1.819 0.607 0.496 0.936 0.404 CB 1.382 48 residues pruned to eliminate duplicates Z: 18 11.650 1.690 0.509 0.449 0.941 0.412 CA 1.240 18 residues pruned to eliminate duplicates Z: 45 19.370 1.804 0.477 0.413 0.864 0.591 CA 1.391 45 residues pruned to eliminate duplicates Z: 53 26.929 1.844 0.549 0.557 0.904 0.615 CA 1.368 57 residues pruned to eliminate duplicates Z: 8 6.302 1.791 0.151 0.549 1.000 0.857 CA 1.101 8 residues pruned to eliminate duplicates Z: 26 16.650 1.910 0.331 0.576 0.960 0.560 CA 1.267 26 residues pruned to eliminate duplicates Z: 16 9.743 1.671 0.442 0.394 0.933 0.533 CA 1.251 16 residues pruned to eliminate duplicates Z: 27 13.433 1.831 0.393 0.538 0.846 0.577 CA 1.176 27 residues pruned to eliminate duplicates Z: 25 17.951 1.917 0.361 0.631 1.000 0.625 CA 1.242 25 residues pruned to eliminate duplicates Z: 25 18.739 1.942 0.358 0.641 1.000 0.792 CA 1.271 25 residues pruned to eliminate duplicates Z: 19 15.244 1.829 0.526 0.760 1.000 0.778 CA 1.022 19 residues pruned to eliminate duplicates Z: 15 19.645 1.895 0.642 0.755 1.000 0.714 CA 1.344 16 residues pruned to eliminate duplicates Z: 13 15.666 1.999 0.468 0.868 0.917 0.583 CA 1.229 12 residues pruned to eliminate duplicates Z: 14 21.062 2.006 0.691 0.909 0.923 0.538 CA 1.324 14 residues pruned to eliminate duplicates Z: 15 22.089 1.983 0.748 0.909 1.000 0.643 CA 1.209 15 residues pruned to eliminate duplicates Z: 15 15.095 1.921 0.562 0.895 0.857 0.571 CA 1.125 15 residues pruned to eliminate duplicates Z: 11 21.422 2.114 0.724 0.898 0.900 0.800 CA 1.478 11 residues pruned to eliminate duplicates Z: 29 17.385 1.882 0.498 0.536 0.857 0.571 CA 1.312 29 residues pruned to eliminate duplicates Z: 49 27.278 1.872 0.574 0.556 0.896 0.542 CA 1.412 49 residues pruned to eliminate duplicates Z: 49 32.989 1.923 0.681 0.616 0.938 0.646 CA 1.408 49 residues pruned to eliminate duplicates Z: 17 17.201 1.824 0.680 0.848 0.875 0.750 CA 1.190 17 residues pruned to eliminate duplicates Z: 24 20.481 1.968 0.364 0.670 1.000 0.522 CA 1.359 25 residues pruned to eliminate duplicates Z: 14 20.868 2.026 0.580 0.914 1.000 0.692 CA 1.279 14 residues pruned to eliminate duplicates Z: 14 6.464 1.726 0.494 0.456 0.692 0.462 CB 1.051 7 residues pruned to eliminate duplicates Z: 9 6.222 1.777 0.737 0.615 0.875 0.875 CB 0.730 9 residues pruned to eliminate duplicates Z: 13 6.541 1.810 0.327 0.485 0.833 0.583 CB 0.958 13 residues pruned to eliminate duplicates Z: 12 6.891 1.831 0.153 0.489 0.909 0.636 CB 1.095 12 residues pruned to eliminate duplicates Z: 6 4.817 1.858 -0.146 0.806 1.000 0.800 CB 1.040 6 residues pruned to eliminate duplicates Z: 12 8.751 1.860 0.410 0.556 0.818 0.455 CB 1.165 13 residues pruned to eliminate duplicates Z: 8 8.965 1.767 0.421 0.781 1.000 0.571 CB 1.053 8 residues pruned to eliminate duplicates Z: 14 7.021 1.772 0.452 0.457 0.846 0.615 CB 0.934 12 residues pruned to eliminate duplicates Z: 12 15.879 1.793 0.527 0.876 1.000 0.727 CB 1.271 12 residues pruned to eliminate duplicates Z: 15 13.377 1.727 0.358 0.729 1.000 0.786 CA 1.241 13 residues pruned to eliminate duplicates Z: 11 14.816 1.788 0.419 0.920 1.000 0.900 CB 1.300 11 residues pruned to eliminate duplicates Z: 14 11.977 1.680 0.432 0.739 0.923 0.846 CA 1.207 15 residues pruned to eliminate duplicates Z: 12 16.437 1.797 0.613 0.860 1.000 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 16 10.715 1.617 0.409 0.660 0.933 0.600 CA 1.121 14 residues pruned to eliminate duplicates Z: 11 14.956 1.756 0.584 0.857 1.000 0.800 CB 1.253 11 residues pruned to eliminate duplicates Z: 14 12.689 1.804 0.501 0.699 0.923 0.769 CA 1.175 14 residues pruned to eliminate duplicates Z: 13 13.567 1.818 0.645 0.746 0.833 0.667 CA 1.261 13 residues pruned to eliminate duplicates Z: 13 17.078 1.834 0.680 0.796 0.917 0.500 CB 1.347 13 residues pruned to eliminate duplicates Z: 39 22.838 1.853 0.604 0.611 0.842 0.500 CB 1.332 40 residues pruned to eliminate duplicates Z: 13 10.257 1.609 0.630 0.742 0.833 0.333 CB 1.091 13 residues pruned to eliminate duplicates Z: 61 31.978 1.920 0.640 0.555 0.917 0.567 CB 1.356 61 residues pruned to eliminate duplicates Z: 9 5.060 1.768 0.294 0.343 0.750 0.375 CB 1.237 9 residues pruned to eliminate duplicates Z: 35 18.668 1.914 0.617 0.485 0.912 0.529 CA 1.152 35 residues pruned to eliminate duplicates Z: 34 15.157 1.890 0.478 0.487 0.818 0.485 CA 1.170 34 residues pruned to eliminate duplicates Z: 25 17.876 1.879 0.683 0.559 0.917 0.333 CB 1.188 25 residues pruned to eliminate duplicates Z: 36 18.250 1.863 0.649 0.474 0.914 0.514 CA 1.127 36 residues pruned to eliminate duplicates Z: 23 16.893 1.900 0.591 0.496 0.909 0.500 CB 1.317 23 residues pruned to eliminate duplicates Z: 26 13.119 1.725 0.447 0.380 0.920 0.640 CA 1.298 26 residues pruned to eliminate duplicates Z: 39 17.482 1.772 0.508 0.479 0.921 0.500 CB 1.177 40 residues pruned to eliminate duplicates Z: 7 6.656 1.574 0.759 0.400 0.833 0.667 CB 1.308 7 residues pruned to eliminate duplicates Z: 27 19.415 1.973 0.674 0.544 0.885 0.538 CA 1.248 27 residues pruned to eliminate duplicates Z: 25 15.825 1.856 0.756 0.473 0.833 0.625 CA 1.222 25 residues pruned to eliminate duplicates Z: 32 21.763 2.002 0.656 0.567 0.935 0.613 CA 1.181 32 residues pruned to eliminate duplicates Z: 34 22.046 1.943 0.656 0.572 0.939 0.667 CA 1.184 34 residues pruned to eliminate duplicates Z: 33 20.418 1.968 0.657 0.519 0.938 0.594 CA 1.159 33 residues pruned to eliminate duplicates Z: 19 14.544 2.033 0.716 0.634 0.889 0.667 CA 0.975 19 residues pruned to eliminate duplicates Z: 31 19.993 1.943 0.504 0.564 0.933 0.533 CA 1.258 31 residues pruned to eliminate duplicates Z: 62 30.452 1.929 0.481 0.597 0.967 0.623 CA 1.286 62 residues pruned to eliminate duplicates Z: 20 13.259 2.044 0.598 0.548 0.842 0.526 CA 1.055 20 residues pruned to eliminate duplicates Z: 49 25.424 1.917 0.605 0.538 0.938 0.604 CA 1.225 49 residues pruned to eliminate duplicates Z: 13 11.201 2.071 0.912 0.653 0.833 0.667 CA 0.850 13 residues pruned to eliminate duplicates Z: 63 31.680 1.921 0.651 0.510 0.952 0.565 CA 1.320 63 residues pruned to eliminate duplicates Z: 64 30.258 1.957 0.613 0.498 0.921 0.587 CB 1.315 64 residues pruned to eliminate duplicates Z: 40 22.280 1.957 0.618 0.451 0.897 0.615 CB 1.320 40 residues pruned to eliminate duplicates Z: 60 32.331 1.940 0.748 0.471 0.915 0.661 CB 1.396 60 residues pruned to eliminate duplicates Z: 8 10.576 2.048 0.761 0.465 1.000 0.857 CA 1.148 Z: 6 5.468 1.707 0.719 0.471 1.000 0.600 CA 0.859 5 residues pruned to eliminate duplicates Z: 6 3.727 1.433 0.836 0.291 0.800 0.800 CA 1.002 6 residues pruned to eliminate duplicates Z: 39 25.568 1.957 0.766 0.441 0.921 0.526 CB 1.384 48 residues pruned to eliminate duplicates Z: 12 22.393 2.133 0.755 0.759 0.909 0.455 CA 1.576 12 residues pruned to eliminate duplicates Z: 32 20.114 1.948 0.690 0.441 0.839 0.548 CB 1.390 32 residues pruned to eliminate duplicates Z: 44 21.850 1.927 0.581 0.394 0.884 0.628 CB 1.384 44 residues pruned to eliminate duplicates Z: 30 22.925 1.949 0.615 0.488 0.931 0.655 CB 1.471 30 residues pruned to eliminate duplicates Z: 25 20.637 2.057 0.681 0.486 0.875 0.583 CA 1.412 25 residues pruned to eliminate duplicates Z: 32 23.998 1.957 0.662 0.460 0.935 0.677 CB 1.475 32 residues pruned to eliminate duplicates Z: 40 23.268 1.961 0.678 0.460 0.846 0.615 CB 1.393 40 residues pruned to eliminate duplicates Z: 39 25.450 1.970 0.691 0.421 0.947 0.605 CB 1.421 39 residues pruned to eliminate duplicates Z: 34 21.498 2.001 0.508 0.429 0.909 0.606 CA 1.468 34 residues pruned to eliminate duplicates Z: 63 29.954 1.917 0.669 0.464 0.871 0.613 CB 1.417 63 residues pruned to eliminate duplicates Z: 39 26.294 2.005 0.678 0.454 0.921 0.632 CA 1.443 39 residues pruned to eliminate duplicates Z: 36 23.365 1.958 0.609 0.465 0.914 0.657 CA 1.421 36 residues pruned to eliminate duplicates Z: 40 23.355 1.910 0.637 0.444 0.949 0.641 CB 1.337 39 residues pruned to eliminate duplicates Z: 6 3.725 1.562 0.564 0.297 0.800 0.600 N 1.070 6 residues pruned to eliminate duplicates Z: 39 24.108 1.978 0.624 0.477 0.895 0.711 CA 1.392 39 residues pruned to eliminate duplicates Z: 7 9.776 1.819 0.553 0.447 1.000 0.667 N 1.492 7 residues pruned to eliminate duplicates Z: 8 4.075 1.576 0.685 0.335 0.714 0.571 CB 0.973 8 residues pruned to eliminate duplicates Z: 39 23.224 1.955 0.610 0.432 0.921 0.474 CB 1.395 39 residues pruned to eliminate duplicates Z: 19 7.005 1.697 0.314 0.230 0.778 0.500 CB 1.304 19 residues pruned to eliminate duplicates Z: 36 21.488 1.962 0.606 0.434 0.914 0.600 CB 1.349 36 residues pruned to eliminate duplicates Z: 17 10.799 1.691 0.596 0.253 1.000 0.625 N 1.329 17 residues pruned to eliminate duplicates Z: 31 22.581 1.980 0.616 0.450 0.933 0.667 CA 1.453 31 residues pruned to eliminate duplicates Z: 15 11.394 1.920 0.490 0.269 1.000 0.429 CB 1.384 15 residues pruned to eliminate duplicates Z: 55 28.517 1.998 0.712 0.497 0.852 0.593 CB 1.336 55 residues pruned to eliminate duplicates Z: 15 12.886 1.925 0.623 0.348 0.929 0.643 CB 1.400 15 residues pruned to eliminate duplicates Z: 31 24.880 2.032 0.703 0.478 0.900 0.633 CB 1.492 35 residues pruned to eliminate duplicates Z: 7 4.641 1.666 0.350 0.515 0.667 0.333 CB 1.246 7 residues pruned to eliminate duplicates Z: 60 32.808 1.993 0.407 0.602 0.966 0.678 CB 1.431 60 residues pruned to eliminate duplicates Z: 45 27.461 1.940 0.512 0.612 0.932 0.659 CA 1.363 45 residues pruned to eliminate duplicates Z: 63 39.460 2.027 0.609 0.638 0.952 0.677 CA 1.418 63 residues pruned to eliminate duplicates Z: 68 41.247 2.025 0.584 0.628 0.955 0.597 CA 1.458 68 residues pruned to eliminate duplicates Z: 63 38.014 2.021 0.607 0.619 0.935 0.565 CA 1.420 63 residues pruned to eliminate duplicates Z: 112 46.082 1.964 0.600 0.573 0.928 0.577 CA 1.397 113 residues pruned to eliminate duplicates Z: 13 20.014 1.841 0.885 0.905 1.000 0.417 CB 1.185 13 residues pruned to eliminate duplicates Z: 101 44.758 2.005 0.564 0.612 0.940 0.570 CA 1.366 101 residues pruned to eliminate duplicates Z: 97 39.584 1.981 0.565 0.530 0.917 0.562 CB 1.380 97 residues pruned to eliminate duplicates Z: 50 27.600 1.940 0.547 0.550 0.939 0.510 CB 1.332 50 residues pruned to eliminate duplicates Z: 102 43.988 1.989 0.539 0.596 0.941 0.614 CA 1.387 102 residues pruned to eliminate duplicates Z: 62 38.895 2.042 0.610 0.641 0.934 0.623 CA 1.421 62 residues pruned to eliminate duplicates Z: 101 46.293 2.004 0.591 0.597 0.940 0.630 CA 1.408 101 residues pruned to eliminate duplicates Z: 112 48.761 2.005 0.592 0.577 0.946 0.604 CA 1.423 113 residues pruned to eliminate duplicates Z: 6 2.447 1.670 0.380 0.257 1.000 0.400 CA 0.628 6 residues pruned to eliminate duplicates Z: 107 45.996 1.981 0.583 0.580 0.943 0.632 CB 1.398 107 residues pruned to eliminate duplicates Z: 91 39.251 1.979 0.532 0.569 0.922 0.578 CA 1.384 91 residues pruned to eliminate duplicates Z: 74 35.086 1.937 0.617 0.523 0.945 0.479 CB 1.356 74 residues pruned to eliminate duplicates Z: 6 2.696 1.506 -0.058 0.484 1.000 0.800 CA 0.864 Z: 17 20.884 2.003 0.576 0.812 1.000 0.688 CA 1.261 17 residues pruned to eliminate duplicates Z: 17 11.309 1.975 0.648 0.458 0.875 0.688 CA 1.037 17 residues pruned to eliminate duplicates Z: 21 19.063 1.918 0.693 0.646 0.900 0.800 CA 1.273 21 residues pruned to eliminate duplicates Z: 40 23.095 1.949 0.570 0.508 0.974 0.590 CA 1.230 40 residues pruned to eliminate duplicates Z: 38 23.277 1.953 0.545 0.501 0.946 0.595 CA 1.340 38 residues pruned to eliminate duplicates Z: 39 25.500 1.981 0.655 0.535 0.921 0.658 CA 1.323 39 residues pruned to eliminate duplicates Z: 54 34.472 1.986 0.703 0.602 0.943 0.698 CA 1.347 54 residues pruned to eliminate duplicates Z: 23 26.502 2.016 0.833 0.687 1.000 0.773 CA 1.288 23 residues pruned to eliminate duplicates Z: 32 22.862 1.983 0.671 0.522 0.935 0.677 CA 1.296 32 residues pruned to eliminate duplicates Z: 38 23.948 1.985 0.521 0.500 0.973 0.622 CA 1.341 38 residues pruned to eliminate duplicates Z: 20 17.770 1.993 0.616 0.685 0.895 0.789 CA 1.193 20 residues pruned to eliminate duplicates Z: 28 19.219 1.981 0.519 0.560 0.926 0.593 CA 1.253 28 residues pruned to eliminate duplicates Z: 36 22.657 1.989 0.563 0.554 0.914 0.657 CA 1.279 36 residues pruned to eliminate duplicates Z: 54 30.450 1.969 0.548 0.618 0.943 0.623 CB 1.302 54 residues pruned to eliminate duplicates Z: 47 25.988 1.999 0.578 0.450 0.957 0.609 CB 1.337 47 residues pruned to eliminate duplicates Z: 39 21.055 1.961 0.444 0.485 0.921 0.368 CA 1.329 39 residues pruned to eliminate duplicates Z: 36 24.666 2.019 0.561 0.548 0.971 0.514 CA 1.300 36 residues pruned to eliminate duplicates Z: 47 22.047 1.929 0.483 0.420 0.913 0.478 CB 1.352 47 residues pruned to eliminate duplicates Z: 41 23.324 1.943 0.581 0.481 0.925 0.450 CA 1.323 41 residues pruned to eliminate duplicates Z: 38 24.178 1.998 0.575 0.522 0.919 0.541 CB 1.345 38 residues pruned to eliminate duplicates Z: 40 21.863 1.944 0.501 0.485 0.897 0.590 CA 1.357 40 residues pruned to eliminate duplicates Z: 36 25.429 1.995 0.590 0.542 0.971 0.514 CA 1.340 36 residues pruned to eliminate duplicates Z: 38 23.196 2.006 0.499 0.494 0.919 0.459 CA 1.388 38 residues pruned to eliminate duplicates Z: 35 24.537 2.044 0.482 0.535 0.971 0.529 CA 1.383 35 residues pruned to eliminate duplicates Z: 53 29.999 1.981 0.506 0.590 0.942 0.615 CB 1.358 53 residues pruned to eliminate duplicates Z: 38 22.277 1.995 0.463 0.508 0.946 0.568 CA 1.315 38 residues pruned to eliminate duplicates Z: 50 23.210 1.958 0.487 0.471 0.898 0.531 CA 1.306 50 residues pruned to eliminate duplicates Z: 40 20.855 1.907 0.492 0.493 0.949 0.564 CA 1.246 40 residues pruned to eliminate duplicates Z: 38 22.382 1.927 0.647 0.487 0.946 0.459 CB 1.242 38 residues pruned to eliminate duplicates Z: 112 44.332 1.998 0.521 0.560 0.928 0.550 CB 1.408 112 residues pruned to eliminate duplicates Z: 106 47.919 2.018 0.557 0.586 0.962 0.648 CA 1.424 106 residues pruned to eliminate duplicates Z: 44 26.509 1.938 0.638 0.603 0.860 0.535 CA 1.341 44 residues pruned to eliminate duplicates Z: 34 20.565 1.942 0.500 0.522 0.879 0.455 CA 1.367 34 residues pruned to eliminate duplicates Z: 101 45.192 2.007 0.562 0.608 0.940 0.610 CA 1.384 101 residues pruned to eliminate duplicates Z: 30 15.231 1.845 0.530 0.452 0.862 0.448 CB 1.220 30 residues pruned to eliminate duplicates Z: 53 22.929 1.898 0.511 0.534 0.865 0.500 CA 1.238 53 residues pruned to eliminate duplicates Z: 69 38.938 2.010 0.564 0.608 0.956 0.647 CA 1.417 69 residues pruned to eliminate duplicates Z: 64 41.010 2.020 0.684 0.629 0.968 0.635 CB 1.390 64 residues pruned to eliminate duplicates Z: 63 44.508 2.043 0.715 0.645 0.968 0.645 CA 1.456 63 residues pruned to eliminate duplicates Z: 14 28.028 2.058 0.805 0.897 1.000 0.692 CA 1.497 14 residues pruned to eliminate duplicates Z: 102 47.888 2.005 0.560 0.624 0.960 0.614 CA 1.412 102 residues pruned to eliminate duplicates Z: 91 39.801 1.981 0.565 0.563 0.922 0.556 CB 1.380 91 residues pruned to eliminate duplicates Z: 84 43.445 2.016 0.664 0.572 0.964 0.578 CB 1.376 84 residues pruned to eliminate duplicates Z: 13 29.479 2.161 0.782 0.904 1.000 0.333 CA 1.574 13 residues pruned to eliminate duplicates Z: 67 40.313 2.018 0.646 0.615 0.955 0.621 CB 1.403 67 residues pruned to eliminate duplicates Z: 63 38.267 2.021 0.641 0.608 0.952 0.581 CB 1.389 63 residues pruned to eliminate duplicates Z: 110 42.633 1.973 0.591 0.547 0.927 0.523 CB 1.340 110 residues pruned to eliminate duplicates Z: 65 33.310 1.956 0.640 0.541 0.891 0.500 CB 1.400 65 residues pruned to eliminate duplicates Z: 63 40.694 2.024 0.720 0.600 0.935 0.597 CB 1.443 63 residues pruned to eliminate duplicates Z: 62 43.796 2.052 0.697 0.646 0.967 0.656 CB 1.453 62 residues pruned to eliminate duplicates Z: 113 47.989 2.000 0.609 0.564 0.955 0.616 CB 1.387 113 residues pruned to eliminate duplicates Z: 70 42.095 1.985 0.655 0.615 0.971 0.681 CB 1.424 70 residues pruned to eliminate duplicates Z: 7 7.120 1.947 0.514 0.486 0.833 0.500 CA 1.200 7 residues pruned to eliminate duplicates Z: 101 49.229 2.011 0.605 0.622 0.960 0.600 CA 1.416 101 residues pruned to eliminate duplicates Z: 64 41.679 2.020 0.672 0.634 0.952 0.603 CB 1.441 64 residues pruned to eliminate duplicates Z: 21 24.870 2.059 0.486 0.705 1.000 0.650 CA 1.509 21 residues pruned to eliminate duplicates Z: 7 7.509 1.978 0.187 0.504 1.000 0.667 CA 1.301 7 residues pruned to eliminate duplicates Z: 62 37.265 2.014 0.618 0.607 0.902 0.574 CB 1.467 62 residues pruned to eliminate duplicates Z: 65 38.324 2.018 0.667 0.589 0.922 0.594 CB 1.418 65 residues pruned to eliminate duplicates Z: 24 24.656 2.052 0.456 0.717 0.957 0.739 CA 1.478 25 residues pruned to eliminate duplicates Z: 15 15.360 1.904 0.503 0.828 0.857 0.714 CA 1.260 15 residues pruned to eliminate duplicates Z: 25 24.414 2.044 0.484 0.661 0.958 0.708 CA 1.476 25 residues pruned to eliminate duplicates Z: 108 44.018 1.942 0.583 0.561 0.925 0.505 CA 1.410 108 residues pruned to eliminate duplicates Z: 61 39.728 2.054 0.593 0.639 0.950 0.650 CA 1.449 61 residues pruned to eliminate duplicates Z: 26 18.034 1.969 0.388 0.639 0.840 0.720 CA 1.379 26 residues pruned to eliminate duplicates Z: 63 42.175 2.044 0.619 0.638 0.984 0.645 CB 1.446 63 residues pruned to eliminate duplicates Z: 21 22.290 2.053 0.358 0.717 1.000 0.750 CA 1.469 21 residues pruned to eliminate duplicates Z: 69 40.971 2.025 0.587 0.645 0.926 0.662 CB 1.457 69 residues pruned to eliminate duplicates Z: 68 34.828 1.974 0.558 0.583 0.881 0.612 CA 1.450 68 residues pruned to eliminate duplicates Z: 25 22.377 2.052 0.318 0.668 0.958 0.750 CA 1.508 25 residues pruned to eliminate duplicates Z: 101 45.307 2.007 0.568 0.596 0.930 0.520 CA 1.412 101 residues pruned to eliminate duplicates Z: 11 12.530 1.908 0.545 0.649 0.900 0.700 CA 1.300 11 residues pruned to eliminate duplicates Z: 13 13.574 1.798 0.398 0.765 1.000 0.833 CA 1.233 13 residues pruned to eliminate duplicates Z: 11 11.912 1.903 0.525 0.646 0.900 0.700 CA 1.259 11 residues pruned to eliminate duplicates Z: 15 15.516 1.805 0.736 0.630 0.929 0.857 CA 1.262 20 residues pruned to eliminate duplicates Z: 9 9.226 1.852 0.433 0.675 0.875 0.500 CA 1.195 9 residues pruned to eliminate duplicates Z: 12 9.913 1.845 0.216 0.763 0.909 0.727 CA 1.160 12 residues pruned to eliminate duplicates Z: 10 10.778 1.639 0.490 0.879 1.000 0.889 N 1.067 10 residues pruned to eliminate duplicates Z: 17 12.707 1.663 0.442 0.658 1.000 0.750 CB 1.143 13 residues pruned to eliminate duplicates Z: 10 10.739 1.626 0.819 0.820 1.000 0.778 CA 0.917 10 residues pruned to eliminate duplicates Z: 12 15.314 1.824 0.558 0.767 1.000 1.000 CA 1.282 12 residues pruned to eliminate duplicates Z: 18 12.439 1.738 0.497 0.539 0.941 0.706 CB 1.186 18 residues pruned to eliminate duplicates Z: 16 12.977 1.694 0.519 0.599 1.000 0.800 CB 1.184 16 residues pruned to eliminate duplicates Z: 15 15.933 1.726 0.867 0.589 1.000 0.857 CB 1.214 15 residues pruned to eliminate duplicates Z: 52 24.374 1.869 0.442 0.541 0.922 0.647 CA 1.320 78 residues pruned to eliminate duplicates Z: 7 2.102 1.431 -0.252 0.354 0.833 0.333 N 1.126 7 residues pruned to eliminate duplicates Z: 25 17.323 1.954 0.198 0.604 0.958 0.708 CA 1.427 25 residues pruned to eliminate duplicates Z: 50 20.073 1.834 0.342 0.492 0.857 0.592 CA 1.370 50 residues pruned to eliminate duplicates Z: 50 22.891 1.851 0.389 0.521 0.878 0.571 CA 1.419 50 residues pruned to eliminate duplicates Z: 49 21.143 1.860 0.431 0.495 0.833 0.521 CA 1.383 49 residues pruned to eliminate duplicates Z: 26 18.133 1.896 0.324 0.606 0.920 0.720 CA 1.420 26 residues pruned to eliminate duplicates Z: 38 20.216 1.945 0.377 0.513 0.865 0.649 CA 1.415 38 residues pruned to eliminate duplicates Z: 40 22.387 1.926 0.452 0.514 0.897 0.615 CA 1.408 40 residues pruned to eliminate duplicates Z: 39 22.116 1.939 0.319 0.535 0.947 0.684 CA 1.430 39 residues pruned to eliminate duplicates Z: 60 22.434 1.853 0.303 0.482 0.881 0.576 CB 1.397 60 residues pruned to eliminate duplicates Z: 11 8.215 1.897 0.146 0.735 0.800 0.800 CA 1.210 11 residues pruned to eliminate duplicates Z: 45 21.386 1.942 0.221 0.541 0.909 0.659 CA 1.436 45 residues pruned to eliminate duplicates Z: 38 20.177 1.943 0.304 0.526 0.892 0.676 CA 1.432 38 residues pruned to eliminate duplicates Z: 51 18.957 1.756 0.342 0.512 0.920 0.560 CA 1.221 51 residues pruned to eliminate duplicates Z: 27 16.490 1.907 0.344 0.577 0.846 0.654 CA 1.385 27 residues pruned to eliminate duplicates Z: 40 21.070 1.924 0.362 0.524 0.897 0.615 CA 1.401 40 residues pruned to eliminate duplicates Z: 50 23.745 1.911 0.419 0.561 0.857 0.612 CA 1.376 50 residues pruned to eliminate duplicates Z: 28 19.255 1.891 0.412 0.588 0.889 0.630 CA 1.435 28 residues pruned to eliminate duplicates Z: 42 22.465 1.872 0.415 0.522 0.878 0.610 CA 1.476 42 residues pruned to eliminate duplicates Z: 39 20.046 1.898 0.376 0.520 0.895 0.632 CA 1.364 39 residues pruned to eliminate duplicates Z: 15 9.004 1.895 0.422 0.379 0.714 0.571 CB 1.422 15 residues pruned to eliminate duplicates Z: 53 21.839 1.827 0.312 0.499 0.904 0.462 CA 1.398 53 residues pruned to eliminate duplicates Z: 22 9.710 1.752 0.312 0.392 0.905 0.524 CB 1.141 22 residues pruned to eliminate duplicates Z: 13 9.618 1.912 0.316 0.403 0.750 0.417 CA 1.630 13 residues pruned to eliminate duplicates Z: 15 11.683 1.839 0.329 0.470 0.857 0.500 CA 1.536 15 residues pruned to eliminate duplicates Z: 21 8.922 1.725 0.358 0.415 0.700 0.350 CA 1.329 21 residues pruned to eliminate duplicates Z: 16 8.250 1.761 0.396 0.389 0.733 0.600 CA 1.329 16 residues pruned to eliminate duplicates Z: 23 17.485 1.884 0.487 0.539 0.909 0.636 CB 1.410 23 residues pruned to eliminate duplicates Z: 18 8.940 1.787 0.351 0.372 0.765 0.471 CA 1.346 18 residues pruned to eliminate duplicates Z: 22 17.699 1.887 0.489 0.602 0.857 0.619 CB 1.456 22 residues pruned to eliminate duplicates Z: 26 16.333 1.857 0.388 0.517 0.920 0.600 CA 1.354 26 residues pruned to eliminate duplicates Z: 25 13.860 1.888 0.321 0.474 0.833 0.583 CA 1.397 25 residues pruned to eliminate duplicates Z: 30 14.717 1.794 0.360 0.423 0.897 0.552 CB 1.353 30 residues pruned to eliminate duplicates Z: 10 10.788 1.895 0.295 0.705 1.000 0.889 CB 1.216 10 residues pruned to eliminate duplicates Z: 27 15.193 1.856 0.275 0.555 0.885 0.577 CB 1.350 27 residues pruned to eliminate duplicates Z: 29 15.935 1.809 0.428 0.484 0.857 0.464 CA 1.382 29 residues pruned to eliminate duplicates Z: 13 12.662 1.841 0.462 0.794 0.833 0.750 CB 1.259 13 residues pruned to eliminate duplicates Z: 16 15.547 1.852 0.490 0.694 0.867 0.600 CB 1.405 16 residues pruned to eliminate duplicates Z: 28 17.379 1.842 0.460 0.567 0.852 0.407 CB 1.369 28 residues pruned to eliminate duplicates Z: 16 15.514 1.863 0.638 0.704 0.800 0.533 CA 1.363 16 residues pruned to eliminate duplicates Z: 82 32.158 1.988 0.429 0.539 0.926 0.543 CB 1.307 82 residues pruned to eliminate duplicates Z: 7 3.706 1.528 0.619 0.239 0.833 0.167 CB 0.993 7 residues pruned to eliminate duplicates Z: 19 11.460 1.733 0.490 0.608 0.778 0.389 CB 1.214 19 residues pruned to eliminate duplicates Z: 16 13.059 1.707 0.534 0.529 1.000 0.600 CB 1.251 14 residues pruned to eliminate duplicates Z: 8 5.433 1.628 0.324 0.537 0.857 0.286 CB 1.073 8 residues pruned to eliminate duplicates Z: 26 9.985 1.660 0.625 0.237 0.840 0.400 CB 1.196 14 residues pruned to eliminate duplicates Z: 7 6.182 1.755 0.667 0.440 1.000 0.333 CA 0.917 7 residues pruned to eliminate duplicates Z: 85 34.510 1.992 0.560 0.470 0.917 0.524 CB 1.363 113 residues pruned to eliminate duplicates Z: 22 13.467 1.852 0.447 0.423 0.857 0.476 CA 1.386 22 residues pruned to eliminate duplicates Z: 79 33.302 2.022 0.442 0.506 0.923 0.551 CB 1.393 79 residues pruned to eliminate duplicates Z: 17 14.497 1.871 0.543 0.400 0.938 0.375 CA 1.488 Z: 7 8.170 1.733 0.697 0.709 1.000 0.500 CB 0.938 7 residues pruned to eliminate duplicates Z: 17 14.152 1.869 0.578 0.407 0.938 0.500 CA 1.411 17 residues pruned to eliminate duplicates Z: 20 12.570 1.783 0.649 0.381 0.789 0.474 CA 1.409 18 residues pruned to eliminate duplicates Z: 8 10.679 1.836 0.766 0.463 1.000 0.429 CB 1.293 8 residues pruned to eliminate duplicates Z: 75 30.999 2.012 0.472 0.512 0.932 0.608 CB 1.290 94 residues pruned to eliminate duplicates Z: 27 16.373 1.835 0.602 0.382 0.923 0.462 CA 1.341 27 residues pruned to eliminate duplicates Z: 78 33.514 2.016 0.515 0.489 0.922 0.455 CB 1.371 78 residues pruned to eliminate duplicates Z: 79 36.217 2.029 0.544 0.529 0.910 0.564 CB 1.398 79 residues pruned to eliminate duplicates Z: 15 11.764 1.795 0.744 0.366 1.000 0.429 CA 1.159 15 residues pruned to eliminate duplicates Z: 68 33.400 2.024 0.506 0.542 0.925 0.627 CB 1.388 68 residues pruned to eliminate duplicates Z: 14 8.813 1.715 0.524 0.390 1.000 0.308 CA 1.051 14 residues pruned to eliminate duplicates Z: 66 30.809 2.049 0.524 0.514 0.908 0.569 CB 1.329 66 residues pruned to eliminate duplicates Z: 67 33.261 2.022 0.628 0.449 0.894 0.591 CB 1.465 67 residues pruned to eliminate duplicates Z: 57 29.442 2.094 0.544 0.524 0.821 0.625 CB 1.447 57 residues pruned to eliminate duplicates Z: 29 20.899 2.008 0.425 0.555 0.893 0.429 CB 1.465 29 residues pruned to eliminate duplicates Z: 31 14.347 1.911 0.601 0.246 0.833 0.400 CA 1.376 31 residues pruned to eliminate duplicates Z: 56 31.950 2.075 0.515 0.570 0.945 0.545 CB 1.355 56 residues pruned to eliminate duplicates Z: 28 26.767 2.072 0.534 0.633 1.000 0.593 CB 1.431 28 residues pruned to eliminate duplicates Z: 55 26.744 1.974 0.499 0.490 0.870 0.630 CA 1.428 55 residues pruned to eliminate duplicates Z: 62 32.720 2.053 0.584 0.538 0.934 0.656 CB 1.329 62 residues pruned to eliminate duplicates Z: 29 24.475 2.095 0.476 0.563 0.929 0.679 CA 1.516 29 residues pruned to eliminate duplicates Z: 48 29.968 2.051 0.536 0.595 0.957 0.660 CB 1.324 48 residues pruned to eliminate duplicates Z: 53 37.866 2.107 0.659 0.600 0.962 0.577 CB 1.420 53 residues pruned to eliminate duplicates Z: 19 26.035 2.074 0.646 0.703 1.000 0.611 CB 1.493 19 residues pruned to eliminate duplicates Z: 63 31.426 2.001 0.693 0.427 0.903 0.516 CB 1.407 63 residues pruned to eliminate duplicates Z: 66 31.546 2.021 0.479 0.537 0.954 0.677 CB 1.323 66 residues pruned to eliminate duplicates Z: 52 35.968 2.109 0.620 0.580 0.961 0.627 CB 1.421 52 residues pruned to eliminate duplicates Z: 60 35.003 2.103 0.577 0.567 0.949 0.678 CB 1.356 60 residues pruned to eliminate duplicates Z: 18 24.774 2.021 0.579 0.846 0.941 0.471 CA 1.485 18 residues pruned to eliminate duplicates Z: 89 38.214 2.020 0.618 0.531 0.875 0.511 CB 1.381 89 residues pruned to eliminate duplicates Z: 46 30.412 2.083 0.601 0.525 0.978 0.622 CB 1.357 46 residues pruned to eliminate duplicates Z: 69 31.707 2.004 0.636 0.472 0.868 0.603 CB 1.391 69 residues pruned to eliminate duplicates Z: 54 34.418 2.105 0.613 0.576 0.943 0.604 CB 1.372 54 residues pruned to eliminate duplicates Z: 61 36.545 2.058 0.643 0.542 0.950 0.683 CB 1.410 61 residues pruned to eliminate duplicates Z: 63 34.408 2.050 0.633 0.506 0.935 0.597 CB 1.387 63 residues pruned to eliminate duplicates Z: 54 35.798 2.095 0.559 0.605 0.981 0.679 CB 1.388 54 residues pruned to eliminate duplicates Z: 63 34.072 2.030 0.670 0.553 0.952 0.548 CB 1.273 63 residues pruned to eliminate duplicates Z: 68 34.629 2.018 0.610 0.512 0.955 0.627 CB 1.347 68 residues pruned to eliminate duplicates Z: 54 35.788 2.077 0.677 0.595 0.962 0.585 CB 1.339 54 residues pruned to eliminate duplicates Z: 54 30.707 2.090 0.432 0.612 0.943 0.698 CB 1.344 54 residues pruned to eliminate duplicates Z: 55 31.425 2.070 0.608 0.596 0.907 0.593 CB 1.293 55 residues pruned to eliminate duplicates Z: 37 20.884 1.970 0.590 0.504 0.917 0.583 CB 1.207 37 residues pruned to eliminate duplicates Z: 38 25.385 2.062 0.559 0.506 0.892 0.649 CB 1.447 38 residues pruned to eliminate duplicates Z: 62 31.554 2.037 0.580 0.575 0.918 0.689 CB 1.272 62 residues pruned to eliminate duplicates Z: 86 32.903 2.016 0.510 0.486 0.894 0.553 CB 1.330 86 residues pruned to eliminate duplicates Z: 51 30.871 2.045 0.667 0.502 0.940 0.640 CB 1.360 51 residues pruned to eliminate duplicates Z: 57 35.051 2.054 0.677 0.507 0.964 0.607 CB 1.400 57 residues pruned to eliminate duplicates Z: 54 40.013 2.129 0.705 0.596 0.962 0.585 CB 1.436 54 residues pruned to eliminate duplicates Z: 25 22.603 2.097 0.793 0.406 1.000 0.625 CB 1.355 25 residues pruned to eliminate duplicates Z: 58 32.312 2.065 0.566 0.563 0.912 0.632 CB 1.365 58 residues pruned to eliminate duplicates Z: 63 33.259 2.067 0.594 0.564 0.919 0.645 CB 1.310 63 residues pruned to eliminate duplicates Z: 20 19.404 2.055 0.448 0.745 0.947 0.737 CB 1.269 20 residues pruned to eliminate duplicates Z: 22 18.524 1.997 0.551 0.642 0.905 0.571 CB 1.263 22 residues pruned to eliminate duplicates Z: 53 38.128 2.135 0.650 0.609 0.923 0.596 CB 1.467 53 residues pruned to eliminate duplicates Z: 20 20.755 2.087 0.489 0.730 0.947 0.737 CB 1.315 20 residues pruned to eliminate duplicates Z: 22 18.052 2.062 0.421 0.668 0.905 0.714 CB 1.273 22 residues pruned to eliminate duplicates Z: 20 18.196 2.076 0.409 0.668 0.895 0.684 CB 1.366 20 residues pruned to eliminate duplicates Z: 19 21.494 2.129 0.472 0.744 0.944 0.667 CB 1.376 19 residues pruned to eliminate duplicates Z: 24 16.465 2.002 0.466 0.562 0.870 0.652 CB 1.268 24 residues pruned to eliminate duplicates Z: 24 18.658 2.019 0.550 0.584 0.870 0.478 CB 1.319 24 residues pruned to eliminate duplicates Z: 20 20.723 2.091 0.502 0.718 0.947 0.579 CB 1.312 20 residues pruned to eliminate duplicates Z: 27 19.536 2.017 0.564 0.607 0.923 0.577 CB 1.188 27 residues pruned to eliminate duplicates Z: 22 20.323 1.992 0.637 0.650 0.905 0.476 CB 1.308 22 residues pruned to eliminate duplicates Z: 59 34.541 2.081 0.608 0.568 0.948 0.586 CB 1.339 59 residues pruned to eliminate duplicates Z: 60 32.401 2.062 0.586 0.564 0.932 0.542 CB 1.300 60 residues pruned to eliminate duplicates Z: 22 19.782 2.026 0.707 0.601 0.857 0.524 CB 1.323 22 residues pruned to eliminate duplicates Z: 24 17.955 2.032 0.653 0.572 0.826 0.478 CB 1.259 24 residues pruned to eliminate duplicates Z: 25 17.008 1.972 0.655 0.520 0.833 0.583 CB 1.252 25 residues pruned to eliminate duplicates Z: 9 6.383 1.821 0.706 0.479 0.750 0.500 CB 0.989 9 residues pruned to eliminate duplicates Z: 49 29.951 1.990 0.593 0.613 0.854 0.438 CB 1.434 49 residues pruned to eliminate duplicates Z: 11 5.490 1.693 0.553 0.423 0.700 0.500 CB 1.022 11 residues pruned to eliminate duplicates Z: 24 16.823 1.915 0.798 0.552 0.870 0.565 CB 1.114 24 residues pruned to eliminate duplicates Z: 28 19.929 1.922 0.640 0.601 0.815 0.667 CA 1.357 28 residues pruned to eliminate duplicates Z: 41 29.619 2.004 0.825 0.555 0.875 0.625 CA 1.387 41 residues pruned to eliminate duplicates Z: 27 21.326 1.930 0.624 0.581 0.885 0.615 CB 1.396 27 residues pruned to eliminate duplicates Z: 27 23.366 1.966 0.637 0.620 0.885 0.692 CA 1.436 27 residues pruned to eliminate duplicates Z: 31 19.540 1.945 0.620 0.525 0.800 0.500 CA 1.380 31 residues pruned to eliminate duplicates Z: 25 21.981 1.897 0.739 0.656 0.875 0.500 CA 1.344 25 residues pruned to eliminate duplicates Z: 19 22.833 1.970 0.644 0.672 0.944 0.556 CA 1.502 19 residues pruned to eliminate duplicates Z: 31 21.396 1.875 0.680 0.577 0.833 0.500 CB 1.382 31 residues pruned to eliminate duplicates Z: 15 31.349 2.081 0.824 0.838 1.000 0.429 CB 1.650 15 residues pruned to eliminate duplicates Z: 21 22.867 1.802 0.743 0.680 0.950 0.300 CB 1.452 21 residues pruned to eliminate duplicates Z: 28 22.783 1.921 0.772 0.609 0.852 0.444 CA 1.364 28 residues pruned to eliminate duplicates Z: 25 23.321 1.947 0.720 0.649 0.875 0.417 CA 1.414 25 residues pruned to eliminate duplicates Z: 26 19.954 1.915 0.669 0.595 0.840 0.400 CB 1.358 26 residues pruned to eliminate duplicates Z: 17 25.639 2.030 0.769 0.755 0.938 0.250 CA 1.517 17 residues pruned to eliminate duplicates Z: 20 18.582 1.897 0.636 0.623 0.842 0.316 CA 1.452 20 residues pruned to eliminate duplicates Z: 33 28.606 2.054 0.824 0.553 0.844 0.250 CA 1.520 33 residues pruned to eliminate duplicates Z: 60 31.979 1.945 0.762 0.525 0.847 0.407 CA 1.399 59 residues pruned to eliminate duplicates Z: 17 23.041 1.959 0.878 0.720 0.812 0.188 CA 1.580 17 residues pruned to eliminate duplicates Z: 18 19.556 1.988 0.970 0.410 0.941 0.588 CA 1.414 18 residues pruned to eliminate duplicates Z: 41 24.430 1.953 0.801 0.476 0.775 0.400 CA 1.451 41 residues pruned to eliminate duplicates Z: 61 31.866 1.907 0.851 0.564 0.867 0.433 CB 1.264 62 residues pruned to eliminate duplicates Z: 6 8.439 1.918 0.576 0.679 1.000 0.800 CA 1.059 6 residues pruned to eliminate duplicates Z: 42 32.725 1.998 0.818 0.557 0.902 0.512 CB 1.475 42 residues pruned to eliminate duplicates Z: 53 32.433 1.987 0.817 0.569 0.827 0.481 CA 1.409 53 residues pruned to eliminate duplicates Z: 37 33.224 2.020 0.897 0.606 0.889 0.389 CB 1.470 37 residues pruned to eliminate duplicates Z: 29 30.346 2.067 0.818 0.586 0.893 0.357 CB 1.575 29 residues pruned to eliminate duplicates Z: 34 26.022 1.995 0.754 0.547 0.879 0.424 CA 1.407 34 residues pruned to eliminate duplicates Z: 42 37.494 2.021 0.892 0.637 0.902 0.439 CB 1.493 42 residues pruned to eliminate duplicates Z: 43 28.332 1.996 0.731 0.504 0.881 0.452 CA 1.431 43 residues pruned to eliminate duplicates Z: 43 16.369 1.844 0.732 0.300 0.762 0.429 CB 1.297 43 residues pruned to eliminate duplicates Z: 50 29.738 1.959 0.819 0.571 0.796 0.367 CB 1.398 50 residues pruned to eliminate duplicates Z: 28 26.486 1.983 0.959 0.567 0.852 0.333 CB 1.443 28 residues pruned to eliminate duplicates Z: 42 29.986 1.930 0.867 0.566 0.854 0.366 CA 1.428 42 residues pruned to eliminate duplicates Z: 42 33.854 1.984 0.866 0.615 0.854 0.317 CA 1.500 42 residues pruned to eliminate duplicates Z: 24 25.619 1.997 1.007 0.627 0.870 0.522 CB 1.359 24 residues pruned to eliminate duplicates Z: 42 23.267 1.905 0.752 0.441 0.878 0.415 CB 1.318 168 residues pruned to eliminate duplicates Z: 11 15.339 1.718 0.983 0.855 0.900 0.900 CB 1.167 11 residues pruned to eliminate duplicates Z: 15 9.822 1.669 0.870 0.618 0.857 0.643 CA 0.877 15 residues pruned to eliminate duplicates Z: 19 9.651 1.641 0.489 0.541 0.889 0.556 CB 1.006 19 residues pruned to eliminate duplicates Z: 31 20.207 1.863 0.832 0.460 0.900 0.300 CA 1.252 31 residues pruned to eliminate duplicates Z: 15 11.170 1.667 1.078 0.577 0.714 0.214 CB 1.120 15 residues pruned to eliminate duplicates Z: 51 29.922 1.982 0.781 0.564 0.800 0.480 CB 1.408 51 residues pruned to eliminate duplicates Z: 12 10.682 1.846 0.357 0.661 0.909 0.727 CB 1.218 22 residues pruned to eliminate duplicates Z: 12 7.554 1.678 0.209 0.622 0.909 0.818 CA 1.100 12 residues pruned to eliminate duplicates Z: 9 5.465 1.858 0.111 0.586 0.750 0.750 CB 1.149 9 residues pruned to eliminate duplicates Z: 10 8.428 1.875 0.218 0.630 0.889 0.778 CB 1.225 10 residues pruned to eliminate duplicates Z: 13 9.912 1.802 0.306 0.623 0.917 0.417 CA 1.181 13 residues pruned to eliminate duplicates Z: 14 9.487 1.716 0.442 0.558 1.000 0.462 CA 1.005 12 residues pruned to eliminate duplicates Z: 8 7.384 1.884 0.516 0.727 0.857 0.571 CA 0.929 8 residues pruned to eliminate duplicates Z: 22 12.723 1.740 0.366 0.470 1.000 0.667 CA 1.205 22 residues pruned to eliminate duplicates Z: 10 7.331 1.810 0.368 0.503 1.000 0.667 CA 0.984 10 residues pruned to eliminate duplicates Z: 21 12.147 1.767 0.555 0.453 0.900 0.750 CA 1.152 21 residues pruned to eliminate duplicates Z: 10 12.383 1.900 0.497 0.568 0.889 0.556 CA 1.528 10 residues pruned to eliminate duplicates Z: 17 11.305 1.813 0.599 0.375 0.938 0.688 CB 1.188 17 residues pruned to eliminate duplicates Z: 6 5.496 1.749 0.867 0.463 0.600 0.600 CA 1.303 6 residues pruned to eliminate duplicates Z: 19 13.685 1.898 0.434 0.424 0.944 0.667 CB 1.358 19 residues pruned to eliminate duplicates Z: 11 11.382 1.936 0.470 0.387 1.000 0.700 CA 1.426 11 residues pruned to eliminate duplicates Z: 22 10.723 1.747 0.492 0.446 0.857 0.667 CB 1.107 21 residues pruned to eliminate duplicates Z: 7 5.491 1.622 0.430 0.494 1.000 0.833 CA 0.971 Z: 6 3.991 1.474 0.101 0.468 1.000 0.600 CB 1.136 7 residues pruned to eliminate duplicates Z: 6 2.799 1.821 0.040 0.302 0.800 0.400 CB 1.030 3 residues pruned to eliminate duplicates Z: 17 17.271 1.807 0.500 0.731 1.000 0.625 CA 1.294 4 residues pruned to eliminate duplicates Z: 15 16.466 1.832 0.521 0.785 0.929 0.571 CA 1.323 15 residues pruned to eliminate duplicates Z: 37 20.128 1.953 0.544 0.494 0.917 0.556 CA 1.221 59 residues pruned to eliminate duplicates Z: 37 22.292 1.925 0.707 0.475 0.944 0.667 CA 1.228 37 residues pruned to eliminate duplicates Z: 34 21.707 1.990 0.680 0.465 0.909 0.636 CA 1.288 34 residues pruned to eliminate duplicates Z: 38 19.930 1.938 0.565 0.428 0.919 0.568 CA 1.267 38 residues pruned to eliminate duplicates Z: 35 22.728 1.957 0.604 0.461 0.941 0.735 CA 1.373 35 residues pruned to eliminate duplicates Z: 25 13.782 1.829 0.730 0.547 0.833 0.625 CA 1.019 Z: 13 17.641 1.896 0.625 0.808 0.917 0.417 CA 1.379 15 residues pruned to eliminate duplicates Z: 14 18.316 1.805 0.610 0.818 1.000 0.385 CA 1.327 13 residues pruned to eliminate duplicates Z: 14 18.675 1.829 0.632 0.832 0.923 0.462 CA 1.411 14 residues pruned to eliminate duplicates Z: 34 20.186 1.944 0.617 0.440 0.909 0.697 CA 1.308 34 residues pruned to eliminate duplicates Z: 36 23.165 1.938 0.673 0.461 0.943 0.457 CA 1.333 36 residues pruned to eliminate duplicates Z: 34 20.425 1.970 0.675 0.464 0.879 0.636 CA 1.272 58 residues pruned to eliminate duplicates Z: 38 19.844 1.894 0.683 0.464 0.892 0.730 CA 1.190 38 residues pruned to eliminate duplicates Z: 33 19.345 1.904 0.612 0.445 0.906 0.656 CA 1.301 33 residues pruned to eliminate duplicates Z: 36 19.524 1.940 0.597 0.455 0.914 0.600 CA 1.220 36 residues pruned to eliminate duplicates Z: 37 20.807 1.921 0.603 0.470 0.917 0.583 CA 1.266 37 residues pruned to eliminate duplicates Z: 27 21.329 1.997 0.653 0.522 0.962 0.769 CA 1.289 27 residues pruned to eliminate duplicates Z: 38 21.428 1.922 0.681 0.424 0.892 0.595 CA 1.322 38 residues pruned to eliminate duplicates Z: 40 21.518 1.939 0.509 0.441 0.872 0.641 CB 1.436 40 residues pruned to eliminate duplicates Z: 14 14.168 1.955 0.770 0.361 0.923 0.692 CA 1.429 14 residues pruned to eliminate duplicates Z: 34 20.095 1.940 0.614 0.476 0.909 0.697 CA 1.260 34 residues pruned to eliminate duplicates Z: 41 19.525 1.875 0.789 0.417 0.875 0.550 CA 1.147 41 residues pruned to eliminate duplicates Z: 17 11.311 1.885 0.496 0.262 0.938 0.562 CA 1.403 17 residues pruned to eliminate duplicates Z: 17 14.167 1.929 0.614 0.337 1.000 0.625 CA 1.360 17 residues pruned to eliminate duplicates Z: 33 20.375 1.976 0.635 0.463 0.875 0.688 CA 1.324 33 residues pruned to eliminate duplicates Z: 10 3.973 1.755 0.819 0.247 0.889 0.556 CB 0.625 10 residues pruned to eliminate duplicates Z: 17 9.918 1.804 0.498 0.440 0.875 0.625 CB 1.116 17 residues pruned to eliminate duplicates Z: 17 9.951 1.820 0.634 0.478 0.812 0.625 CB 1.053 17 residues pruned to eliminate duplicates Z: 14 8.725 1.617 0.445 0.515 0.846 0.538 CA 1.207 14 residues pruned to eliminate duplicates Z: 9 8.206 1.752 0.313 0.679 0.875 0.750 CA 1.223 9 residues pruned to eliminate duplicates Z: 9 12.617 1.997 0.480 0.659 1.000 0.875 CB 1.302 9 residues pruned to eliminate duplicates Z: 33 18.105 1.819 0.646 0.368 0.906 0.469 CB 1.359 33 residues pruned to eliminate duplicates Z: 42 22.149 1.916 0.690 0.405 0.854 0.537 CA 1.383 42 residues pruned to eliminate duplicates Z: 19 12.481 1.791 0.602 0.445 0.944 0.611 CB 1.150 19 residues pruned to eliminate duplicates Z: 18 12.924 1.792 0.740 0.452 0.882 0.588 CB 1.197 18 residues pruned to eliminate duplicates Z: 76 33.153 1.951 0.662 0.505 0.893 0.507 CB 1.315 79 residues pruned to eliminate duplicates Z: 7 6.607 1.687 0.944 0.461 0.667 0.333 N 1.284 Z: 7 4.429 1.623 1.029 0.463 0.500 0.333 CA 1.141 7 residues pruned to eliminate duplicates Z: 18 15.966 1.880 0.913 0.390 0.941 0.235 CB 1.286 25 residues pruned to eliminate duplicates Z: 21 20.566 2.052 0.776 0.409 0.950 0.550 CA 1.461 21 residues pruned to eliminate duplicates Z: 13 12.058 1.990 0.658 0.324 0.833 0.500 CA 1.536 13 residues pruned to eliminate duplicates Z: 19 17.588 2.036 0.580 0.359 1.000 0.333 CA 1.500 19 residues pruned to eliminate duplicates Z: 25 18.540 2.021 0.780 0.337 0.875 0.500 CB 1.438 25 residues pruned to eliminate duplicates Z: 19 17.308 2.031 0.780 0.337 0.944 0.389 CA 1.428 19 residues pruned to eliminate duplicates Z: 64 32.434 2.058 0.698 0.366 0.921 0.476 CB 1.466 64 residues pruned to eliminate duplicates Z: 47 30.434 2.058 0.782 0.472 0.870 0.543 CA 1.447 47 residues pruned to eliminate duplicates Z: 60 33.014 2.079 0.705 0.423 0.915 0.525 CB 1.436 60 residues pruned to eliminate duplicates Z: 20 14.996 1.906 0.646 0.457 0.842 0.526 CA 1.361 20 residues pruned to eliminate duplicates Z: 24 17.355 2.058 0.783 0.313 0.826 0.435 CA 1.469 24 residues pruned to eliminate duplicates Z: 78 40.635 2.069 0.688 0.474 0.948 0.623 CA 1.436 78 residues pruned to eliminate duplicates Z: 77 38.601 2.099 0.632 0.478 0.895 0.500 CB 1.478 77 residues pruned to eliminate duplicates Z: 60 33.056 2.084 0.682 0.435 0.881 0.576 CA 1.490 60 residues pruned to eliminate duplicates Z: 25 20.188 2.039 0.687 0.365 0.917 0.458 CA 1.510 25 residues pruned to eliminate duplicates Z: 32 21.648 2.056 0.843 0.363 0.871 0.484 CA 1.365 32 residues pruned to eliminate duplicates Z: 48 35.246 2.095 0.754 0.472 0.957 0.511 CB 1.503 48 residues pruned to eliminate duplicates Z: 85 36.694 2.028 0.660 0.448 0.917 0.464 CB 1.369 85 residues pruned to eliminate duplicates Z: 60 35.343 2.054 0.857 0.410 0.898 0.441 CB 1.476 60 residues pruned to eliminate duplicates Z: 49 32.769 2.084 0.742 0.485 0.896 0.521 CA 1.476 49 residues pruned to eliminate duplicates Z: 49 33.361 2.078 0.724 0.476 0.938 0.500 CA 1.468 49 residues pruned to eliminate duplicates Z: 49 30.966 2.029 0.762 0.475 0.896 0.625 CA 1.432 49 residues pruned to eliminate duplicates Z: 59 35.625 2.090 0.716 0.436 0.931 0.534 CB 1.497 59 residues pruned to eliminate duplicates Z: 34 27.819 2.133 0.622 0.506 0.939 0.636 CA 1.481 34 residues pruned to eliminate duplicates Z: 24 21.415 2.058 0.458 0.593 0.957 0.522 CB 1.424 24 residues pruned to eliminate duplicates Z: 9 7.189 1.890 0.756 0.327 1.000 0.375 CA 0.925 9 residues pruned to eliminate duplicates Z: 24 26.071 2.113 0.910 0.634 0.913 0.565 CB 1.301 24 residues pruned to eliminate duplicates Z: 51 30.333 2.032 0.632 0.442 0.960 0.540 CA 1.431 51 residues pruned to eliminate duplicates Z: 29 24.547 2.116 0.583 0.528 0.929 0.571 CA 1.452 29 residues pruned to eliminate duplicates Z: 38 27.738 2.051 0.658 0.480 0.973 0.595 CB 1.406 38 residues pruned to eliminate duplicates Z: 30 16.327 1.913 0.603 0.410 0.828 0.517 CA 1.313 30 residues pruned to eliminate duplicates Z: 55 34.890 2.092 0.572 0.569 0.944 0.556 CB 1.430 55 residues pruned to eliminate duplicates Z: 35 28.136 2.133 0.587 0.508 0.941 0.618 CA 1.503 35 residues pruned to eliminate duplicates Z: 24 26.504 2.119 0.591 0.645 1.000 0.609 CB 1.432 24 residues pruned to eliminate duplicates Z: 27 26.192 2.140 0.674 0.535 0.962 0.577 CB 1.441 27 residues pruned to eliminate duplicates Z: 54 32.412 2.081 0.501 0.528 0.962 0.547 CB 1.440 54 residues pruned to eliminate duplicates Z: 33 25.301 2.140 0.559 0.503 0.906 0.531 CA 1.475 33 residues pruned to eliminate duplicates Z: 37 28.163 2.082 0.674 0.487 0.917 0.611 CA 1.488 37 residues pruned to eliminate duplicates Z: 34 29.871 2.146 0.573 0.503 1.000 0.515 CA 1.536 34 residues pruned to eliminate duplicates Z: 31 21.786 2.082 0.568 0.474 0.867 0.633 CB 1.443 31 residues pruned to eliminate duplicates Z: 40 26.979 2.050 0.784 0.441 0.872 0.487 CB 1.440 40 residues pruned to eliminate duplicates Z: 54 38.615 2.074 0.793 0.572 0.925 0.528 CB 1.440 54 residues pruned to eliminate duplicates Z: 42 28.859 2.025 0.753 0.432 0.951 0.512 CB 1.432 42 residues pruned to eliminate duplicates Z: 22 18.319 1.984 0.625 0.370 0.952 0.476 CB 1.497 22 residues pruned to eliminate duplicates Z: 38 27.015 2.067 0.638 0.471 0.973 0.568 CA 1.389 38 residues pruned to eliminate duplicates Z: 42 34.122 2.098 0.760 0.489 0.976 0.512 CB 1.496 42 residues pruned to eliminate duplicates Z: 35 29.172 2.119 0.696 0.506 0.971 0.647 CB 1.425 35 residues pruned to eliminate duplicates Z: 76 41.609 2.089 0.750 0.503 0.933 0.627 CB 1.403 76 residues pruned to eliminate duplicates Z: 34 31.776 2.147 0.798 0.513 0.939 0.576 CA 1.506 34 residues pruned to eliminate duplicates Z: 16 17.535 2.012 0.814 0.347 0.933 0.533 CA 1.570 16 residues pruned to eliminate duplicates Z: 54 35.088 2.078 0.651 0.567 0.925 0.623 CB 1.425 54 residues pruned to eliminate duplicates Z: 36 30.065 2.099 0.672 0.528 0.943 0.486 CB 1.494 36 residues pruned to eliminate duplicates Z: 53 37.370 2.101 0.633 0.564 0.981 0.538 CB 1.448 53 residues pruned to eliminate duplicates Z: 33 21.455 1.960 0.625 0.506 0.906 0.594 CB 1.306 33 residues pruned to eliminate duplicates Z: 73 28.803 1.936 0.515 0.478 0.917 0.569 CB 1.292 73 residues pruned to eliminate duplicates Z: 35 30.378 2.108 0.785 0.482 0.941 0.500 CB 1.499 35 residues pruned to eliminate duplicates Z: 9 11.368 1.988 0.765 0.528 0.875 0.625 CB 1.274 9 residues pruned to eliminate duplicates Z: 54 35.782 2.081 0.681 0.529 0.962 0.509 CB 1.418 54 residues pruned to eliminate duplicates Z: 34 23.784 2.055 0.508 0.485 0.909 0.515 CB 1.492 34 residues pruned to eliminate duplicates Z: 62 32.946 2.019 0.616 0.533 0.918 0.557 CB 1.363 62 residues pruned to eliminate duplicates Z: 54 31.080 2.042 0.607 0.495 0.925 0.604 CB 1.415 54 residues pruned to eliminate duplicates Z: 52 27.664 2.050 0.571 0.479 0.902 0.510 CB 1.362 52 residues pruned to eliminate duplicates Z: 45 27.086 2.060 0.625 0.487 0.864 0.523 CB 1.430 45 residues pruned to eliminate duplicates Z: 43 24.850 1.995 0.558 0.480 0.952 0.619 CB 1.321 43 residues pruned to eliminate duplicates Z: 26 16.726 2.018 0.423 0.565 0.880 0.600 CB 1.244 26 residues pruned to eliminate duplicates Z: 20 18.522 1.959 0.503 0.705 0.895 0.632 CA 1.339 20 residues pruned to eliminate duplicates Z: 49 31.106 2.048 0.574 0.544 0.938 0.562 CB 1.423 49 residues pruned to eliminate duplicates Z: 53 40.417 2.115 0.802 0.566 0.981 0.577 CB 1.406 53 residues pruned to eliminate duplicates Z: 21 19.422 1.998 0.633 0.679 0.900 0.600 CB 1.254 21 residues pruned to eliminate duplicates Z: 35 27.219 2.014 0.667 0.532 1.000 0.618 CB 1.348 35 residues pruned to eliminate duplicates Z: 53 37.039 2.091 0.691 0.550 1.000 0.538 CB 1.383 53 residues pruned to eliminate duplicates Z: 86 41.680 2.047 0.813 0.480 0.918 0.541 CB 1.355 86 residues pruned to eliminate duplicates Z: 27 19.943 2.029 0.703 0.605 0.923 0.577 CB 1.109 27 residues pruned to eliminate duplicates Z: 62 32.291 2.055 0.650 0.527 0.934 0.557 CB 1.270 62 residues pruned to eliminate duplicates Z: 27 19.724 1.997 0.792 0.559 0.885 0.385 CB 1.154 27 residues pruned to eliminate duplicates Z: 89 38.241 2.033 0.773 0.456 0.875 0.534 CB 1.353 89 residues pruned to eliminate duplicates Z: 81 38.757 2.038 0.636 0.568 0.875 0.588 CB 1.391 81 residues pruned to eliminate duplicates Z: 42 23.790 1.983 0.761 0.521 0.878 0.610 CB 1.187 42 residues pruned to eliminate duplicates Z: 7 6.950 1.918 0.517 0.511 1.000 0.500 CB 0.965 7 residues pruned to eliminate duplicates Z: 6 9.620 1.941 0.735 0.589 1.000 0.600 CB 1.173 6 residues pruned to eliminate duplicates Z: 58 32.460 2.024 0.790 0.513 0.877 0.421 CB 1.337 58 residues pruned to eliminate duplicates Z: 60 30.658 1.957 0.634 0.557 0.898 0.492 CB 1.315 60 residues pruned to eliminate duplicates Z: 59 40.193 2.059 0.801 0.583 0.914 0.517 CB 1.437 59 residues pruned to eliminate duplicates Z: 54 35.158 2.039 0.762 0.577 0.887 0.509 CB 1.408 54 residues pruned to eliminate duplicates Z: 51 39.897 2.066 0.778 0.576 0.960 0.540 CA 1.487 51 residues pruned to eliminate duplicates Z: 22 26.235 2.059 0.783 0.653 0.952 0.524 CA 1.421 22 residues pruned to eliminate duplicates Z: 50 44.021 2.108 0.880 0.611 0.959 0.571 CB 1.489 50 residues pruned to eliminate duplicates Z: 35 31.208 2.065 0.833 0.591 1.000 0.706 CA 1.296 35 residues pruned to eliminate duplicates Z: 30 23.529 1.915 0.601 0.528 0.897 0.586 CA 1.547 30 residues pruned to eliminate duplicates Z: 45 33.105 2.049 0.800 0.606 0.909 0.568 CB 1.346 45 residues pruned to eliminate duplicates Z: 32 23.082 1.917 0.666 0.559 0.871 0.548 CA 1.408 32 residues pruned to eliminate duplicates Z: 52 37.432 2.076 0.851 0.614 0.863 0.529 CB 1.419 52 residues pruned to eliminate duplicates Z: 51 38.187 2.081 0.708 0.601 0.940 0.500 CA 1.468 51 residues pruned to eliminate duplicates Z: 51 39.073 2.095 0.812 0.601 0.880 0.480 CA 1.503 51 residues pruned to eliminate duplicates Z: 50 39.617 2.083 0.783 0.593 0.939 0.449 CB 1.485 50 residues pruned to eliminate duplicates Z: 51 37.705 2.099 0.747 0.602 0.900 0.460 CB 1.466 51 residues pruned to eliminate duplicates Z: 51 31.857 1.992 0.694 0.563 0.880 0.360 CB 1.428 51 residues pruned to eliminate duplicates Z: 52 38.435 2.087 0.814 0.591 0.882 0.451 CB 1.477 52 residues pruned to eliminate duplicates Z: 51 38.887 2.106 0.730 0.605 0.920 0.440 CA 1.485 51 residues pruned to eliminate duplicates Z: 46 39.353 2.107 0.877 0.611 0.889 0.489 CB 1.502 46 residues pruned to eliminate duplicates Z: 35 28.779 2.115 0.624 0.554 0.971 0.618 CA 1.405 35 residues pruned to eliminate duplicates Z: 21 19.283 1.956 0.901 0.429 0.900 0.300 CA 1.387 21 residues pruned to eliminate duplicates Z: 51 36.325 2.062 0.801 0.545 0.880 0.420 CA 1.504 51 residues pruned to eliminate duplicates Z: 52 38.701 2.091 0.736 0.586 0.922 0.510 CB 1.492 52 residues pruned to eliminate duplicates Z: 36 21.948 2.044 0.581 0.516 0.829 0.429 CB 1.364 36 residues pruned to eliminate duplicates Z: 36 26.194 1.982 0.768 0.520 0.914 0.400 CB 1.355 36 residues pruned to eliminate duplicates Z: 36 22.147 2.027 0.594 0.500 0.857 0.371 CB 1.351 36 residues pruned to eliminate duplicates Z: 45 31.367 2.084 0.734 0.586 0.841 0.636 CA 1.433 45 residues pruned to eliminate duplicates Z: 33 24.756 2.076 0.783 0.557 0.844 0.469 CB 1.325 33 residues pruned to eliminate duplicates Z: 51 36.005 2.078 0.750 0.590 0.880 0.460 CA 1.459 51 residues pruned to eliminate duplicates Z: 46 40.545 2.091 0.916 0.637 0.889 0.444 CA 1.492 46 residues pruned to eliminate duplicates Z: 52 39.004 2.099 0.841 0.567 0.922 0.451 CB 1.437 52 residues pruned to eliminate duplicates Z: 37 30.313 2.090 0.722 0.536 0.917 0.444 CA 1.479 37 residues pruned to eliminate duplicates Z: 39 21.500 1.996 0.562 0.513 0.842 0.368 CB 1.312 39 residues pruned to eliminate duplicates Z: 50 36.394 2.047 0.787 0.548 0.918 0.449 CB 1.477 50 residues pruned to eliminate duplicates Z: 36 28.108 2.071 0.758 0.577 0.886 0.457 CB 1.368 36 residues pruned to eliminate duplicates Z: 50 39.308 2.076 0.791 0.553 0.939 0.429 CB 1.528 50 residues pruned to eliminate duplicates Z: 52 38.919 2.035 0.752 0.587 0.941 0.569 CA 1.495 52 residues pruned to eliminate duplicates Z: 20 16.224 1.929 0.733 0.518 0.842 0.421 CB 1.299 Z: 11 19.320 1.828 1.211 0.817 1.000 0.400 CB 1.148 11 residues pruned to eliminate duplicates Z: 13 24.728 2.045 1.065 0.815 0.917 0.583 CB 1.402 10 residues pruned to eliminate duplicates Z: 10 15.033 1.953 0.882 0.915 1.000 0.889 CB 0.963 10 residues pruned to eliminate duplicates Z: 50 33.408 2.057 0.691 0.566 0.939 0.551 CB 1.371 50 residues pruned to eliminate duplicates Z: 45 36.803 2.078 0.805 0.596 0.932 0.591 CA 1.449 68 residues pruned to eliminate duplicates Z: 51 41.736 2.101 0.787 0.580 0.980 0.500 CA 1.485 51 residues pruned to eliminate duplicates Z: 23 16.862 1.982 0.441 0.594 0.909 0.455 CB 1.265 Z: 7 4.436 1.465 0.924 0.363 0.833 0.333 CB 0.894 7 residues pruned to eliminate duplicates Z: 51 41.582 2.100 0.830 0.600 0.960 0.640 CA 1.450 74 residues pruned to eliminate duplicates Z: 10 10.615 1.870 0.581 0.488 0.889 0.667 CB 1.362 6 1.907 1.528 0.003 0.514 0.600 0.000 CB 0.915 ? Z: 17 17.841 1.838 0.635 0.680 0.875 0.500 CA 1.438 Z: 14 20.074 1.980 0.641 0.775 0.923 0.615 CA 1.456 14 residues pruned to eliminate duplicates Z: 14 15.953 1.893 0.425 0.807 1.000 0.769 CA 1.255 14 residues pruned to eliminate duplicates Z: 37 24.910 1.995 0.495 0.473 0.972 0.500 CB 1.473 27 residues pruned to eliminate duplicates Z: 12 20.649 1.977 0.538 0.828 1.000 0.636 CA 1.542 12 residues pruned to eliminate duplicates Z: 35 19.378 1.972 0.402 0.423 0.882 0.559 CB 1.476 35 residues pruned to eliminate duplicates Z: 37 26.170 2.001 0.545 0.480 0.944 0.444 CB 1.525 37 residues pruned to eliminate duplicates Z: 12 19.380 2.019 0.597 0.785 1.000 0.727 CA 1.411 12 residues pruned to eliminate duplicates Z: 32 22.643 2.009 0.423 0.467 0.968 0.677 CA 1.521 32 residues pruned to eliminate duplicates Z: 15 18.097 1.814 0.617 0.792 0.929 0.714 CA 1.374 15 residues pruned to eliminate duplicates Z: 32 20.588 2.006 0.446 0.433 0.903 0.548 CA 1.514 32 residues pruned to eliminate duplicates Z: 35 19.652 1.896 0.447 0.421 0.941 0.441 CB 1.417 35 residues pruned to eliminate duplicates Z: 39 23.914 1.909 0.568 0.443 0.947 0.632 CB 1.451 39 residues pruned to eliminate duplicates Z: 14 20.783 2.051 0.708 0.653 1.000 0.692 CA 1.426 14 residues pruned to eliminate duplicates Z: 81 42.472 2.039 0.719 0.525 0.913 0.538 CA 1.449 118 residues pruned to eliminate duplicates Z: 39 21.105 1.920 0.485 0.448 0.895 0.605 CB 1.416 Z: 8 6.625 1.572 0.628 0.536 0.857 0.571 CA 1.102 9 residues pruned to eliminate duplicates Z: 8 10.167 1.916 0.584 0.665 0.857 0.429 CA 1.268 Z: 8 8.476 1.956 0.500 0.692 0.714 0.429 CA 1.282 8 residues pruned to eliminate duplicates Z: 12 11.627 1.858 0.526 0.771 0.818 0.545 CA 1.189 8 residues pruned to eliminate duplicates Z: 8 10.690 1.883 0.572 0.826 0.857 0.429 CA 1.201 8 residues pruned to eliminate duplicates Z: 8 3.996 1.489 0.540 0.805 0.857 0.714 CA 0.589 8 residues pruned to eliminate duplicates Z: 15 11.114 1.769 0.402 0.672 0.857 0.571 CA 1.191 15 residues pruned to eliminate duplicates Z: 18 12.651 1.696 0.652 0.610 0.941 0.647 CB 1.049 15 residues pruned to eliminate duplicates Z: 9 12.030 1.829 0.723 0.848 1.000 0.625 CA 1.001 11 residues pruned to eliminate duplicates Z: 9 9.937 1.829 0.598 0.714 0.875 0.250 CA 1.131 8 residues pruned to eliminate duplicates Z: 6 2.566 1.666 0.695 0.261 0.600 0.400 CB 0.890 6 residues pruned to eliminate duplicates Z: 10 6.951 1.872 0.352 0.460 0.778 0.667 CB 1.226 10 residues pruned to eliminate duplicates Z: 49 22.815 1.952 0.512 0.447 0.875 0.542 CB 1.347 49 residues pruned to eliminate duplicates Z: 12 6.389 1.824 0.455 0.289 0.818 0.455 CB 1.125 12 residues pruned to eliminate duplicates Z: 10 8.330 1.931 0.475 0.401 1.000 0.556 CB 1.082 10 residues pruned to eliminate duplicates Z: 9 9.893 1.881 0.513 0.589 0.875 0.500 CA 1.290 9 residues pruned to eliminate duplicates Z: 7 7.647 2.056 0.243 0.460 1.000 0.333 CA 1.273 7 residues pruned to eliminate duplicates Z: 13 7.239 1.763 0.447 0.392 0.750 0.333 CB 1.225 13 residues pruned to eliminate duplicates Z: 8 9.122 1.881 0.544 0.542 0.857 0.571 CA 1.330 8 residues pruned to eliminate duplicates Z: 46 28.405 2.037 0.361 0.613 0.978 0.622 CB 1.404 14 residues pruned to eliminate duplicates Z: 9 10.667 1.820 0.463 0.755 0.875 0.250 CA 1.290 9 residues pruned to eliminate duplicates Z: 11 8.036 1.779 0.570 0.449 0.800 0.500 CB 1.198 12 residues pruned to eliminate duplicates Z: 7 7.449 1.851 0.413 0.581 0.833 0.500 CA 1.291 7 residues pruned to eliminate duplicates Z: 17 8.507 1.667 0.382 0.435 0.812 0.500 CA 1.216 17 residues pruned to eliminate duplicates Z: 15 10.441 1.772 0.428 0.494 0.857 0.571 CA 1.295 15 residues pruned to eliminate duplicates Z: 17 11.672 1.704 0.496 0.549 0.875 0.562 CB 1.247 15 residues pruned to eliminate duplicates Z: 7 6.426 1.723 0.563 0.446 0.833 0.167 CA 1.235 7 residues pruned to eliminate duplicates Z: 14 8.729 1.778 0.420 0.481 0.923 0.692 CA 1.059 14 residues pruned to eliminate duplicates Z: 14 8.316 1.771 0.396 0.490 0.923 0.615 CA 1.020 14 residues pruned to eliminate duplicates Z: 26 13.524 1.747 0.406 0.459 0.880 0.560 CA 1.304 26 residues pruned to eliminate duplicates Z: 25 12.932 1.730 0.436 0.461 0.875 0.417 CB 1.263 25 residues pruned to eliminate duplicates Z: 89 37.005 1.904 0.596 0.528 0.909 0.591 CA 1.388 75 residues pruned to eliminate duplicates Z: 7 6.518 1.736 0.614 0.685 0.667 0.333 CA 1.201 7 residues pruned to eliminate duplicates Z: 25 13.513 1.777 0.416 0.492 0.875 0.583 CA 1.264 25 residues pruned to eliminate duplicates Z: 29 11.624 1.649 0.488 0.453 0.893 0.571 CA 1.052 29 residues pruned to eliminate duplicates Z: 26 13.554 1.725 0.521 0.434 0.880 0.440 CA 1.257 26 residues pruned to eliminate duplicates Z: 9 6.530 1.839 0.197 0.343 0.875 0.500 CB 1.422 9 residues pruned to eliminate duplicates Z: 10 5.492 1.851 0.381 0.297 0.778 0.444 CB 1.156 10 residues pruned to eliminate duplicates Z: 28 15.119 1.708 0.545 0.496 0.889 0.556 CA 1.246 28 residues pruned to eliminate duplicates Z: 11 6.015 1.667 0.417 0.276 0.900 0.400 CB 1.154 11 residues pruned to eliminate duplicates Z: 25 15.304 1.814 0.538 0.469 0.917 0.583 CB 1.260 25 residues pruned to eliminate duplicates Z: 10 5.195 1.823 0.410 0.321 0.778 0.333 CB 1.056 10 residues pruned to eliminate duplicates Z: 63 28.123 1.924 0.497 0.490 0.935 0.613 CB 1.339 63 residues pruned to eliminate duplicates Z: 81 38.571 1.970 0.633 0.524 0.938 0.600 CB 1.397 81 residues pruned to eliminate duplicates Z: 28 21.315 1.976 0.594 0.556 0.926 0.519 CB 1.332 28 residues pruned to eliminate duplicates Z: 57 24.913 1.926 0.564 0.427 0.929 0.536 CB 1.285 57 residues pruned to eliminate duplicates Z: 7 8.149 1.881 0.620 0.432 0.833 0.333 CB 1.406 7 residues pruned to eliminate duplicates Z: 44 28.409 2.043 0.575 0.534 0.953 0.698 CB 1.365 44 residues pruned to eliminate duplicates Z: 61 34.899 2.041 0.529 0.553 0.967 0.617 CB 1.418 61 residues pruned to eliminate duplicates Z: 63 33.574 1.992 0.533 0.537 0.952 0.645 CB 1.416 63 residues pruned to eliminate duplicates Z: 23 27.347 2.052 0.627 0.709 1.000 0.727 CA 1.444 23 residues pruned to eliminate duplicates Z: 16 16.389 1.920 0.836 0.620 0.867 0.800 CB 1.237 16 residues pruned to eliminate duplicates Z: 69 31.135 1.971 0.589 0.474 0.926 0.618 CB 1.336 69 residues pruned to eliminate duplicates Z: 72 30.937 1.917 0.567 0.478 0.915 0.549 CB 1.365 72 residues pruned to eliminate duplicates Z: 60 38.140 2.066 0.598 0.570 0.966 0.661 CB 1.454 60 residues pruned to eliminate duplicates Z: 53 26.825 2.027 0.492 0.439 0.942 0.615 CB 1.391 53 residues pruned to eliminate duplicates Z: 38 28.723 2.059 0.614 0.505 1.000 0.649 CB 1.414 38 residues pruned to eliminate duplicates Z: 24 26.055 2.052 0.578 0.653 1.000 0.565 CA 1.455 24 residues pruned to eliminate duplicates Z: 44 25.322 2.036 0.542 0.451 0.953 0.605 CB 1.357 44 residues pruned to eliminate duplicates Z: 45 27.431 2.045 0.545 0.465 0.977 0.591 CB 1.387 45 residues pruned to eliminate duplicates Z: 45 28.674 2.036 0.623 0.503 0.909 0.682 CB 1.434 45 residues pruned to eliminate duplicates Z: 48 35.638 2.097 0.640 0.574 0.936 0.574 CB 1.503 48 residues pruned to eliminate duplicates Z: 64 35.011 2.023 0.555 0.549 0.937 0.587 CB 1.428 64 residues pruned to eliminate duplicates Z: 49 24.964 1.992 0.557 0.403 0.938 0.521 CB 1.372 49 residues pruned to eliminate duplicates Z: 22 17.072 2.111 0.454 0.374 0.952 0.571 CB 1.458 22 residues pruned to eliminate duplicates Z: 39 27.150 1.988 0.697 0.470 0.947 0.579 CB 1.420 39 residues pruned to eliminate duplicates Z: 66 25.475 1.911 0.575 0.431 0.846 0.523 CB 1.333 66 residues pruned to eliminate duplicates Z: 54 35.406 2.083 0.557 0.573 0.943 0.604 CA 1.482 54 residues pruned to eliminate duplicates Z: 69 33.738 1.962 0.638 0.497 0.912 0.588 CB 1.400 69 residues pruned to eliminate duplicates Z: 56 38.125 2.070 0.634 0.591 0.945 0.618 CB 1.473 56 residues pruned to eliminate duplicates Z: 36 30.373 2.094 0.587 0.554 0.971 0.600 CA 1.510 36 residues pruned to eliminate duplicates Z: 54 37.607 2.106 0.608 0.593 0.943 0.623 CA 1.480 54 residues pruned to eliminate duplicates Z: 54 41.567 2.116 0.678 0.591 0.962 0.585 CB 1.532 54 residues pruned to eliminate duplicates Z: 38 24.370 2.032 0.478 0.517 0.946 0.568 CA 1.387 38 residues pruned to eliminate duplicates Z: 60 30.393 2.002 0.444 0.537 0.932 0.661 CB 1.416 60 residues pruned to eliminate duplicates Z: 54 32.115 2.068 0.477 0.559 0.925 0.585 CA 1.475 54 residues pruned to eliminate duplicates Z: 53 37.297 2.107 0.593 0.589 0.942 0.596 CA 1.501 53 residues pruned to eliminate duplicates Z: 37 27.922 2.071 0.599 0.547 0.917 0.583 CB 1.464 37 residues pruned to eliminate duplicates Z: 61 34.721 2.022 0.580 0.530 0.933 0.550 CB 1.460 61 residues pruned to eliminate duplicates Z: 54 39.941 2.097 0.612 0.599 0.962 0.623 CA 1.535 54 residues pruned to eliminate duplicates Z: 81 36.162 1.972 0.546 0.516 0.925 0.562 CA 1.411 81 residues pruned to eliminate duplicates Z: 45 28.766 2.048 0.487 0.526 0.955 0.500 CB 1.454 45 residues pruned to eliminate duplicates Z: 45 27.851 2.059 0.494 0.517 0.932 0.614 CB 1.441 45 residues pruned to eliminate duplicates Z: 40 27.391 2.051 0.580 0.522 0.923 0.590 CA 1.434 40 residues pruned to eliminate duplicates Z: 36 20.915 1.966 0.523 0.464 0.914 0.571 CA 1.340 36 residues pruned to eliminate duplicates Z: 48 41.113 2.143 0.670 0.587 0.979 0.660 CB 1.576 48 residues pruned to eliminate duplicates Z: 54 37.144 2.081 0.490 0.599 0.981 0.604 CA 1.527 54 residues pruned to eliminate duplicates Z: 89 34.513 1.947 0.574 0.512 0.886 0.614 CA 1.339 89 residues pruned to eliminate duplicates Z: 54 36.899 2.096 0.588 0.576 0.943 0.679 CA 1.501 54 residues pruned to eliminate duplicates Z: 54 36.711 2.080 0.585 0.591 0.943 0.642 CA 1.487 54 residues pruned to eliminate duplicates Z: 51 35.936 2.093 0.638 0.557 0.940 0.600 CB 1.493 51 residues pruned to eliminate duplicates Z: 67 36.464 2.035 0.609 0.521 0.924 0.576 CA 1.452 67 residues pruned to eliminate duplicates Z: 82 38.455 1.971 0.574 0.508 0.938 0.543 CA 1.456 82 residues pruned to eliminate duplicates Z: 54 39.805 2.117 0.639 0.586 0.943 0.547 CB 1.539 54 residues pruned to eliminate duplicates Z: 62 38.756 2.058 0.683 0.545 0.934 0.475 CB 1.468 62 residues pruned to eliminate duplicates Z: 55 39.541 2.092 0.680 0.575 0.926 0.463 CA 1.539 55 residues pruned to eliminate duplicates Z: 60 35.983 2.037 0.624 0.559 0.915 0.559 CB 1.461 60 residues pruned to eliminate duplicates Z: 36 24.587 1.991 0.744 0.491 0.829 0.514 CB 1.459 36 residues pruned to eliminate duplicates Z: 61 39.910 2.041 0.701 0.549 0.950 0.567 CA 1.489 61 residues pruned to eliminate duplicates 8 1.666 1.382 0.476 0.331 0.571 0.429 CA 0.650 ? Z: 102 36.099 1.921 0.589 0.503 0.861 0.515 CB 1.362 102 residues pruned to eliminate duplicates Z: 6 6.144 1.783 1.282 0.487 0.600 0.600 CB 1.140 6 residues pruned to eliminate duplicates Z: 21 14.713 1.772 0.663 0.654 0.850 0.650 CB 1.138 22 residues pruned to eliminate duplicates Z: 15 14.492 1.759 0.497 0.759 1.000 0.857 CB 1.169 15 residues pruned to eliminate duplicates Z: 21 14.668 1.787 0.555 0.652 0.850 0.700 CB 1.206 21 residues pruned to eliminate duplicates Z: 21 15.742 1.733 0.792 0.617 0.900 0.750 CB 1.128 21 residues pruned to eliminate duplicates Z: 12 12.511 1.723 0.482 0.832 0.909 0.909 CB 1.220 12 residues pruned to eliminate duplicates Z: 13 15.903 1.707 0.528 0.871 1.000 0.833 CA 1.283 13 residues pruned to eliminate duplicates Z: 13 9.196 1.734 0.275 0.612 0.833 0.750 CB 1.296 13 residues pruned to eliminate duplicates Z: 21 11.796 1.727 0.601 0.628 0.800 0.750 CB 1.057 20 residues pruned to eliminate duplicates Z: 13 11.348 1.665 0.321 0.872 1.000 0.917 CB 1.086 13 residues pruned to eliminate duplicates Z: 14 15.667 1.543 0.687 0.908 1.000 0.846 CB 1.185 14 residues pruned to eliminate duplicates Z: 12 10.324 1.654 0.288 0.900 0.909 0.818 CB 1.148 12 residues pruned to eliminate duplicates Z: 44 21.329 1.874 0.524 0.561 0.884 0.605 CB 1.215 45 residues pruned to eliminate duplicates Z: 14 14.578 1.584 0.629 0.899 1.000 0.769 CB 1.120 14 residues pruned to eliminate duplicates Z: 22 14.364 1.717 0.797 0.639 0.857 0.571 CB 1.041 22 residues pruned to eliminate duplicates 887 residues left after pruning, divided into chains as follows: A: 13 B: 7 C: 6 D: 7 E: 6 F: 16 G: 14 H: 8 I: 83 J: 111 K: 192 L: 21 M: 14 N: 183 O: 23 P: 9 Q: 9 R: 165 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 45.92 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.382, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.453, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.525, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.532, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.540, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.542, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.545, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.546, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.547, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.547, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5637 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1293 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 23.983 2.094 0.532 0.887 0.929 0.714 CA 1.552 B: 13 26.778 2.095 0.750 0.863 1.000 0.333 CA 1.546 C: 16 20.938 2.012 0.507 0.878 0.933 0.600 CA 1.386 D: 12 17.710 2.179 0.444 0.903 1.000 0.727 CB 1.209 E: 16 19.332 1.846 0.616 0.864 1.000 0.667 CB 1.226 F: 13 20.288 2.061 0.628 0.863 0.917 0.667 CA 1.398 G: 14 24.347 2.083 0.494 0.909 1.000 0.923 CA 1.539 16 residues pruned to eliminate duplicates H: 12 21.018 2.177 0.872 0.907 0.909 0.818 CB 1.216 I: 12 26.396 2.126 0.721 0.882 1.000 0.727 CB 1.574 11 residues pruned to eliminate duplicates J: 13 23.382 2.048 0.912 0.919 0.917 0.667 CB 1.325 12 residues pruned to eliminate duplicates K: 15 22.847 2.004 0.666 0.825 0.857 0.714 CB 1.611 15 residues pruned to eliminate duplicates L: 12 16.927 2.171 0.526 0.918 1.000 0.455 CB 1.086 12 residues pruned to eliminate duplicates M: 13 18.004 2.082 0.330 0.862 0.917 0.667 CB 1.503 N: 16 25.434 2.096 0.519 0.887 1.000 0.800 CA 1.487 14 residues pruned to eliminate duplicates O: 11 18.224 2.155 0.634 0.918 1.000 0.900 CB 1.154 11 residues pruned to eliminate duplicates P: 18 9.432 1.703 0.379 0.383 0.941 0.588 CB 1.172 Q: 18 22.451 1.951 0.609 0.854 1.000 0.706 CA 1.282 18 residues pruned to eliminate duplicates R: 14 15.854 2.007 0.312 0.848 0.923 0.615 CB 1.341 14 residues pruned to eliminate duplicates S: 11 18.949 2.194 0.749 0.894 0.900 0.800 CB 1.245 11 residues pruned to eliminate duplicates T: 16 22.313 1.976 0.416 0.832 1.000 0.733 CA 1.545 16 residues pruned to eliminate duplicates U: 13 16.204 2.033 0.246 0.878 0.917 0.833 CB 1.462 12 residues pruned to eliminate duplicates V: 12 13.043 2.036 0.305 0.876 1.000 0.545 CB 1.076 12 residues pruned to eliminate duplicates W: 12 23.912 2.126 0.700 0.877 1.000 0.545 CB 1.449 12 residues pruned to eliminate duplicates X: 16 17.192 1.921 0.269 0.883 1.000 0.933 CA 1.316 16 residues pruned to eliminate duplicates Y: 16 18.868 2.016 0.221 0.873 0.933 0.733 CB 1.544 14 residues pruned to eliminate duplicates Z: 13 14.251 2.046 0.087 0.868 0.917 0.833 CB 1.475 13 residues pruned to eliminate duplicates Z: 15 27.189 2.130 0.544 0.868 1.000 0.929 CA 1.615 17 residues pruned to eliminate duplicates Z: 13 19.667 2.109 0.424 0.889 1.000 0.750 CB 1.361 12 residues pruned to eliminate duplicates Z: 10 17.950 1.831 0.679 0.879 1.000 0.889 CA 1.411 Z: 10 13.947 1.906 0.628 0.816 1.000 0.889 CA 1.138 Z: 15 10.513 1.795 0.635 0.341 0.857 0.500 CA 1.329 Z: 13 17.228 2.041 0.154 0.875 1.000 0.750 CB 1.536 13 residues pruned to eliminate duplicates Z: 16 23.472 2.164 0.526 0.846 0.933 0.600 CA 1.461 Z: 16 27.868 2.176 0.582 0.915 1.000 0.667 CA 1.478 Z: 13 24.119 2.076 0.513 0.898 1.000 0.833 CA 1.585 Z: 16 28.072 2.184 0.497 0.896 1.000 0.667 CA 1.588 16 residues pruned to eliminate duplicates Z: 18 17.289 1.898 0.283 0.918 1.000 1.000 CA 1.214 Z: 16 23.039 2.011 0.492 0.880 1.000 0.867 CA 1.437 16 residues pruned to eliminate duplicates Z: 13 15.426 2.032 0.275 0.847 0.917 0.500 CB 1.392 13 residues pruned to eliminate duplicates Z: 14 17.693 1.967 0.511 0.878 0.923 0.538 CA 1.298 14 residues pruned to eliminate duplicates Z: 15 27.131 2.200 0.549 0.920 1.000 0.714 CA 1.499 16 residues pruned to eliminate duplicates Z: 12 19.678 2.000 0.542 0.918 1.000 0.818 CA 1.357 Z: 17 22.076 2.027 0.526 0.893 1.000 0.750 CA 1.281 Z: 16 25.730 2.147 0.690 0.865 0.933 0.333 CA 1.438 16 residues pruned to eliminate duplicates Z: 16 27.295 2.157 0.562 0.906 1.000 0.667 CA 1.489 16 residues pruned to eliminate duplicates Z: 15 21.711 1.885 0.642 0.920 1.000 0.857 CB 1.321 17 residues pruned to eliminate duplicates Z: 14 17.784 1.998 0.574 0.863 0.846 0.769 CA 1.359 14 residues pruned to eliminate duplicates Z: 13 18.014 2.021 0.513 0.851 0.833 0.667 CA 1.511 13 residues pruned to eliminate duplicates Z: 17 23.085 1.969 0.658 0.882 1.000 0.875 CA 1.279 18 residues pruned to eliminate duplicates Z: 19 24.901 1.984 0.526 0.869 1.000 0.722 CA 1.416 15 residues pruned to eliminate duplicates Z: 32 32.391 2.030 0.874 0.578 0.935 0.484 CA 1.515 15 residues pruned to eliminate duplicates Z: 13 20.574 2.086 0.400 0.877 1.000 0.833 CB 1.477 13 residues pruned to eliminate duplicates Z: 12 15.110 2.063 0.359 0.865 1.000 0.455 CB 1.190 12 residues pruned to eliminate duplicates Z: 17 27.216 2.101 0.609 0.868 1.000 0.562 CB 1.471 16 residues pruned to eliminate duplicates Z: 9 13.959 2.087 0.530 0.868 1.000 0.875 CA 1.129 Z: 38 21.905 2.039 0.438 0.469 0.865 0.459 CB 1.465 19 residues pruned to eliminate duplicates Z: 33 18.029 1.907 0.495 0.519 0.906 0.500 CA 1.210 9 residues pruned to eliminate duplicates Z: 13 27.620 2.073 0.724 0.927 1.000 0.833 CB 1.564 13 residues pruned to eliminate duplicates Z: 15 23.795 2.088 0.559 0.873 1.000 0.857 CA 1.424 15 residues pruned to eliminate duplicates Z: 56 34.743 1.982 0.661 0.569 0.964 0.636 CB 1.382 31 residues pruned to eliminate duplicates Z: 16 22.328 1.974 0.547 0.878 1.000 0.800 CA 1.370 16 residues pruned to eliminate duplicates Z: 14 21.854 1.985 0.715 0.896 0.923 0.769 CA 1.381 14 residues pruned to eliminate duplicates Z: 15 21.312 1.910 0.797 0.923 0.929 0.786 CA 1.256 Z: 14 20.909 1.962 0.484 0.857 1.000 0.769 CA 1.467 14 residues pruned to eliminate duplicates Z: 13 22.944 2.088 0.587 0.879 1.000 0.667 CA 1.449 13 residues pruned to eliminate duplicates Z: 16 26.055 2.051 0.627 0.879 1.000 0.667 CA 1.462 16 residues pruned to eliminate duplicates Z: 18 21.908 1.959 0.566 0.864 1.000 0.588 CA 1.270 18 residues pruned to eliminate duplicates Z: 12 21.694 2.099 0.591 0.846 1.000 0.545 CB 1.455 12 residues pruned to eliminate duplicates Z: 14 12.526 1.587 0.766 0.877 0.846 0.615 CB 1.064 Z: 15 23.387 1.988 0.594 0.892 1.000 0.714 CB 1.417 14 residues pruned to eliminate duplicates Z: 10 10.810 1.722 0.539 0.855 1.000 0.556 CA 1.003 Z: 14 28.242 2.236 0.541 0.933 1.000 0.769 CA 1.587 19 residues pruned to eliminate duplicates Z: 16 24.832 2.074 0.516 0.879 1.000 0.867 CA 1.479 16 residues pruned to eliminate duplicates Z: 12 13.271 1.837 0.446 0.887 1.000 0.909 CA 1.085 11 residues pruned to eliminate duplicates Z: 17 22.634 2.031 0.479 0.799 1.000 0.688 CA 1.450 17 residues pruned to eliminate duplicates Z: 10 13.399 2.074 0.446 0.477 1.000 0.889 CA 1.525 9 residues pruned to eliminate duplicates Z: 13 16.322 1.944 0.568 0.875 0.917 0.750 CB 1.227 13 residues pruned to eliminate duplicates Z: 17 11.134 1.738 0.650 0.299 0.875 0.500 CB 1.388 Z: 13 17.508 1.988 0.563 0.880 0.917 0.750 CB 1.285 13 residues pruned to eliminate duplicates Z: 16 21.092 2.012 0.435 0.896 0.933 0.600 CA 1.447 16 residues pruned to eliminate duplicates Z: 15 22.217 1.899 0.692 0.852 1.000 0.571 CA 1.367 14 residues pruned to eliminate duplicates Z: 13 16.763 2.059 0.392 0.828 0.917 0.833 CB 1.387 12 residues pruned to eliminate duplicates Z: 14 13.617 1.901 0.429 0.809 0.846 0.692 CA 1.256 14 residues pruned to eliminate duplicates Z: 13 16.078 1.732 0.515 0.819 1.000 0.750 CA 1.341 Z: 17 23.370 2.145 0.480 0.872 1.000 0.875 CA 1.342 17 residues pruned to eliminate duplicates Z: 14 19.245 1.942 0.532 0.886 1.000 1.000 CA 1.295 14 residues pruned to eliminate duplicates Z: 13 25.246 2.091 0.659 0.865 1.000 0.750 CA 1.539 13 residues pruned to eliminate duplicates Z: 56 37.637 2.074 0.588 0.581 0.964 0.636 CA 1.479 51 residues pruned to eliminate duplicates Z: 13 21.458 2.056 0.488 0.877 1.000 0.583 CB 1.470 14 residues pruned to eliminate duplicates Z: 17 26.161 2.156 0.730 0.889 1.000 0.562 CA 1.262 17 residues pruned to eliminate duplicates Z: 44 33.627 2.094 0.641 0.510 1.000 0.581 CA 1.477 45 residues pruned to eliminate duplicates Z: 17 21.240 2.030 0.477 0.897 1.000 0.750 CA 1.268 17 residues pruned to eliminate duplicates Z: 13 16.410 1.852 0.530 0.823 0.917 0.667 CA 1.378 Z: 14 17.851 1.868 0.615 0.846 1.000 0.846 CA 1.219 13 residues pruned to eliminate duplicates Z: 15 26.100 2.051 0.674 0.892 0.929 0.786 CA 1.572 15 residues pruned to eliminate duplicates Z: 14 17.564 1.924 0.474 0.865 0.923 0.615 CA 1.364 14 residues pruned to eliminate duplicates Z: 7 6.152 1.730 0.088 0.729 0.833 0.500 CB 1.304 Z: 19 10.490 1.807 0.619 0.273 0.778 0.667 CB 1.406 Z: 9 16.429 1.798 1.016 0.633 1.000 0.500 CB 1.414 Z: 13 14.745 1.794 0.453 0.896 1.000 0.750 CA 1.170 Z: 14 19.093 1.921 0.430 0.831 1.000 0.846 CA 1.448 14 residues pruned to eliminate duplicates Z: 11 14.421 1.929 0.512 0.921 1.000 0.800 CA 1.101 11 residues pruned to eliminate duplicates Z: 12 14.816 1.976 0.631 0.846 0.909 0.727 CA 1.132 10 residues pruned to eliminate duplicates Z: 16 24.259 2.168 0.322 0.934 1.000 0.933 CA 1.524 17 residues pruned to eliminate duplicates Z: 18 19.872 1.879 0.628 0.902 0.941 0.706 CA 1.194 17 residues pruned to eliminate duplicates Z: 13 23.453 2.093 0.493 0.905 1.000 0.917 CA 1.542 13 residues pruned to eliminate duplicates Z: 17 27.891 2.064 0.701 0.927 1.000 0.688 CA 1.392 17 residues pruned to eliminate duplicates Z: 10 11.638 1.681 0.657 0.852 0.889 0.778 CA 1.158 10 residues pruned to eliminate duplicates Z: 26 17.011 1.999 0.365 0.573 0.880 0.720 CA 1.320 14 residues pruned to eliminate duplicates Z: 19 13.836 2.001 0.356 0.693 0.778 0.667 CA 1.295 19 residues pruned to eliminate duplicates Z: 10 13.305 1.936 0.433 0.915 1.000 1.000 CA 1.129 10 residues pruned to eliminate duplicates Z: 12 19.006 1.960 0.604 0.911 1.000 1.000 CA 1.292 12 residues pruned to eliminate duplicates Z: 15 26.568 2.086 0.621 0.929 0.929 0.857 CA 1.583 15 residues pruned to eliminate duplicates Z: 23 10.397 1.697 0.308 0.425 0.864 0.500 CB 1.251 20 residues pruned to eliminate duplicates Z: 17 28.255 2.153 0.745 0.887 1.000 0.688 CA 1.356 19 residues pruned to eliminate duplicates Z: 6 7.545 1.709 0.857 0.812 1.000 0.400 CB 0.811 Z: 9 11.459 1.937 0.338 0.819 1.000 0.875 CB 1.186 Z: 14 18.467 1.800 0.641 0.885 0.923 0.769 CA 1.356 Z: 49 33.217 2.040 0.674 0.585 0.917 0.542 CB 1.412 16 residues pruned to eliminate duplicates Z: 6 6.485 1.888 0.031 0.820 0.800 0.800 CA 1.411 6 residues pruned to eliminate duplicates Z: 15 27.567 2.216 0.563 0.893 1.000 0.714 CB 1.526 15 residues pruned to eliminate duplicates Z: 83 34.997 2.000 0.700 0.484 0.915 0.598 CB 1.263 38 residues pruned to eliminate duplicates Z: 10 17.751 1.925 0.724 0.910 1.000 1.000 CA 1.265 10 residues pruned to eliminate duplicates Z: 10 12.023 2.039 0.432 0.469 0.889 0.778 CA 1.594 10 residues pruned to eliminate duplicates Z: 54 30.131 2.008 0.700 0.468 0.925 0.528 CB 1.354 29 residues pruned to eliminate duplicates Z: 12 15.327 1.720 0.641 0.903 0.909 0.909 N 1.284 11 residues pruned to eliminate duplicates Z: 44 29.001 1.973 0.424 0.659 0.977 0.674 CA 1.390 25 residues pruned to eliminate duplicates Z: 65 38.322 2.034 0.569 0.611 0.938 0.672 CA 1.441 50 residues pruned to eliminate duplicates Z: 14 19.390 1.801 0.968 0.858 1.000 0.308 CB 1.117 13 residues pruned to eliminate duplicates Z: 9 13.409 2.115 0.462 0.891 1.000 0.875 CA 1.102 9 residues pruned to eliminate duplicates Z: 14 21.014 1.853 0.942 0.870 1.000 0.462 CB 1.182 14 residues pruned to eliminate duplicates Z: 20 18.062 2.069 0.667 0.386 0.947 0.632 CB 1.431 20 residues pruned to eliminate duplicates Z: 14 20.931 1.895 0.795 0.913 1.000 0.615 CA 1.208 14 residues pruned to eliminate duplicates Z: 14 15.234 1.784 0.481 0.882 1.000 0.692 CB 1.158 13 residues pruned to eliminate duplicates Z: 8 11.050 1.845 0.229 0.882 1.000 0.857 CB 1.333 8 residues pruned to eliminate duplicates Z: 14 19.160 1.976 0.444 0.812 1.000 0.615 CA 1.419 14 residues pruned to eliminate duplicates Z: 16 28.295 2.099 0.714 0.912 1.000 0.733 CB 1.438 16 residues pruned to eliminate duplicates Z: 14 22.498 1.978 0.824 0.907 1.000 0.846 CB 1.229 14 residues pruned to eliminate duplicates Z: 7 6.516 1.579 0.844 0.621 0.833 0.500 N 0.978 Z: 11 15.039 1.802 0.751 0.886 1.000 0.800 CB 1.087 11 residues pruned to eliminate duplicates Z: 13 17.473 1.721 0.580 0.828 1.000 0.667 CB 1.396 13 residues pruned to eliminate duplicates Z: 45 27.381 1.979 0.483 0.629 0.909 0.568 CB 1.370 42 residues pruned to eliminate duplicates Z: 6 12.576 1.789 0.648 0.819 1.000 0.800 CA 1.446 7 residues pruned to eliminate duplicates Z: 9 9.216 1.790 0.262 0.724 1.000 0.750 CB 1.178 Z: 16 22.845 1.882 0.757 0.835 1.000 0.467 CA 1.336 16 residues pruned to eliminate duplicates Z: 7 5.913 1.643 0.712 0.653 0.667 0.667 N 1.117 Z: 14 16.674 1.874 0.576 0.797 1.000 0.923 CA 1.207 14 residues pruned to eliminate duplicates Z: 7 7.408 1.904 0.662 0.568 0.833 0.667 CA 1.074 7 residues pruned to eliminate duplicates Z: 16 25.940 2.228 0.549 0.904 0.867 0.800 CA 1.596 16 residues pruned to eliminate duplicates Z: 10 16.656 1.885 0.683 0.877 1.000 0.889 CB 1.271 Z: 41 19.518 1.885 0.536 0.461 0.875 0.575 CB 1.268 21 residues pruned to eliminate duplicates Z: 17 19.977 2.045 0.372 0.885 1.000 0.812 CA 1.286 17 residues pruned to eliminate duplicates Z: 35 21.188 1.992 0.320 0.505 0.941 0.618 CB 1.460 35 residues pruned to eliminate duplicates Z: 13 16.323 1.920 0.549 0.819 0.917 0.750 CA 1.310 14 residues pruned to eliminate duplicates Z: 14 9.328 1.784 0.326 0.426 0.846 0.769 CB 1.396 18 residues pruned to eliminate duplicates Z: 39 34.700 2.068 0.772 0.639 0.947 0.526 CB 1.423 36 residues pruned to eliminate duplicates Z: 15 26.495 2.097 0.678 0.860 0.929 0.571 CA 1.594 15 residues pruned to eliminate duplicates Z: 17 29.753 2.025 0.925 0.829 1.000 0.438 CA 1.436 17 residues pruned to eliminate duplicates Z: 17 26.749 1.914 0.862 0.908 1.000 0.750 CA 1.332 17 residues pruned to eliminate duplicates Z: 16 12.623 1.785 0.573 0.278 1.000 0.733 CB 1.491 17 residues pruned to eliminate duplicates Z: 16 23.482 2.102 0.454 0.894 0.933 0.800 CA 1.525 16 residues pruned to eliminate duplicates Z: 48 32.920 2.073 0.597 0.573 0.936 0.638 CA 1.443 48 residues pruned to eliminate duplicates Z: 42 27.921 2.099 0.477 0.517 0.951 0.683 CA 1.455 42 residues pruned to eliminate duplicates Z: 22 15.320 1.990 0.417 0.562 0.810 0.571 CA 1.379 10 residues pruned to eliminate duplicates Z: 7 7.395 1.847 0.635 0.541 1.000 0.667 CA 0.961 Z: 8 3.233 1.341 -0.021 0.786 0.857 0.571 CA 0.845 8 residues pruned to eliminate duplicates Z: 16 20.452 2.026 0.364 0.907 1.000 0.800 CB 1.359 16 residues pruned to eliminate duplicates Z: 70 31.338 2.017 0.589 0.471 0.884 0.551 CB 1.371 70 residues pruned to eliminate duplicates Z: 10 18.990 1.842 0.804 0.901 0.889 0.889 CA 1.530 Z: 15 19.518 1.901 0.729 0.880 1.000 0.857 CA 1.150 15 residues pruned to eliminate duplicates Z: 10 16.877 2.212 0.469 0.928 1.000 0.556 CB 1.213 10 residues pruned to eliminate duplicates Z: 14 19.915 1.837 0.743 0.816 1.000 0.692 CA 1.311 13 residues pruned to eliminate duplicates Z: 12 15.382 1.928 0.617 0.909 1.000 0.909 CA 1.055 12 residues pruned to eliminate duplicates Z: 13 12.781 1.692 0.535 0.895 1.000 0.917 CB 1.018 13 residues pruned to eliminate duplicates Z: 12 12.992 1.922 0.513 0.846 0.909 0.545 CB 1.101 12 residues pruned to eliminate duplicates Z: 12 15.810 2.008 0.588 0.862 0.909 0.636 CA 1.208 12 residues pruned to eliminate duplicates Z: 6 5.634 1.901 -0.107 0.885 1.000 0.800 CA 1.071 6 residues pruned to eliminate duplicates Z: 11 10.071 1.778 0.235 0.885 1.000 0.700 CB 1.047 Z: 9 11.228 1.961 0.653 0.557 0.875 0.500 CA 1.325 9 residues pruned to eliminate duplicates Z: 12 19.393 2.098 0.313 0.898 1.000 0.818 CA 1.518 12 residues pruned to eliminate duplicates Z: 11 24.111 2.035 0.895 0.896 1.000 0.700 CB 1.416 11 residues pruned to eliminate duplicates Z: 12 11.270 1.592 0.858 0.525 0.909 0.545 CB 1.232 Z: 10 5.608 1.693 0.515 0.504 0.667 0.333 CB 1.089 10 residues pruned to eliminate duplicates Z: 15 18.239 1.884 0.581 0.927 1.000 0.857 CA 1.147 15 residues pruned to eliminate duplicates Z: 12 19.778 2.111 0.305 0.886 1.000 0.909 CB 1.562 12 residues pruned to eliminate duplicates Z: 17 20.094 2.103 0.218 0.839 1.000 0.625 CA 1.465 17 residues pruned to eliminate duplicates Z: 12 14.811 1.761 0.681 0.812 1.000 0.818 CB 1.150 12 residues pruned to eliminate duplicates Z: 16 26.181 2.182 0.676 0.896 0.933 0.667 CA 1.419 16 residues pruned to eliminate duplicates Z: 27 26.798 2.066 0.671 0.603 0.962 0.538 CB 1.436 27 residues pruned to eliminate duplicates Z: 16 24.105 2.081 0.462 0.896 1.000 0.867 CA 1.465 16 residues pruned to eliminate duplicates Z: 16 12.507 1.776 0.683 0.316 0.933 0.533 CA 1.419 Z: 9 14.835 2.019 0.527 0.579 1.000 0.875 CA 1.576 10 residues pruned to eliminate duplicates Z: 15 27.024 2.102 0.873 0.872 0.857 0.357 CB 1.560 15 residues pruned to eliminate duplicates Z: 15 18.272 1.778 0.702 0.817 0.929 0.643 CA 1.320 11 residues pruned to eliminate duplicates Z: 25 13.444 1.835 0.465 0.530 0.875 0.458 CB 1.133 7 residues pruned to eliminate duplicates Z: 12 8.865 1.915 0.279 0.795 0.818 0.727 CA 1.030 12 residues pruned to eliminate duplicates Z: 18 20.830 1.977 0.757 0.795 0.941 0.765 CB 1.194 18 residues pruned to eliminate duplicates Z: 12 18.460 2.011 0.756 0.850 0.909 0.727 CA 1.284 20 residues pruned to eliminate duplicates Z: 13 23.258 2.081 0.768 0.901 0.917 0.833 CA 1.422 13 residues pruned to eliminate duplicates Z: 14 20.539 1.982 0.492 0.866 1.000 0.615 CB 1.411 14 residues pruned to eliminate duplicates Z: 8 6.976 1.755 0.115 0.894 0.857 0.714 CA 1.127 8 residues pruned to eliminate duplicates Z: 13 19.867 2.079 0.433 0.878 1.000 0.750 CA 1.398 13 residues pruned to eliminate duplicates Z: 99 43.560 2.025 0.547 0.580 0.918 0.612 CB 1.417 105 residues pruned to eliminate duplicates Z: 18 18.421 1.905 0.548 0.851 1.000 0.941 CA 1.121 18 residues pruned to eliminate duplicates Z: 17 24.155 2.079 0.597 0.866 1.000 0.750 CA 1.332 17 residues pruned to eliminate duplicates Z: 13 19.585 2.192 0.607 0.882 0.833 0.750 CA 1.393 13 residues pruned to eliminate duplicates Z: 56 29.530 1.973 0.654 0.487 0.891 0.545 CB 1.388 56 residues pruned to eliminate duplicates Z: 7 4.163 1.709 0.156 0.476 1.000 0.667 CB 0.882 7 residues pruned to eliminate duplicates Z: 15 20.273 1.763 0.950 0.848 1.000 0.429 CA 1.170 Z: 37 22.902 1.972 0.609 0.477 0.889 0.694 CA 1.385 36 residues pruned to eliminate duplicates Z: 15 19.493 1.904 0.599 0.800 0.929 0.500 CA 1.417 15 residues pruned to eliminate duplicates Z: 17 26.811 2.005 0.709 0.929 1.000 0.875 CA 1.369 17 residues pruned to eliminate duplicates Z: 29 16.327 1.920 0.593 0.387 0.857 0.571 CA 1.327 29 residues pruned to eliminate duplicates Z: 35 22.209 2.029 0.448 0.531 0.912 0.500 CA 1.379 35 residues pruned to eliminate duplicates Z: 15 21.732 1.827 0.749 0.861 1.000 0.714 CA 1.335 15 residues pruned to eliminate duplicates Z: 15 19.170 2.181 0.178 0.876 1.000 0.857 CA 1.449 15 residues pruned to eliminate duplicates Z: 14 13.954 1.772 0.719 0.861 0.923 0.692 CA 1.011 14 residues pruned to eliminate duplicates Z: 17 22.384 2.002 0.589 0.878 0.938 0.625 CA 1.362 17 residues pruned to eliminate duplicates Z: 10 11.359 1.936 0.549 0.851 1.000 0.889 CB 0.934 10 residues pruned to eliminate duplicates Z: 15 17.914 1.787 0.675 0.831 1.000 0.786 CA 1.202 15 residues pruned to eliminate duplicates Z: 13 16.571 1.948 0.632 0.791 0.917 0.583 CA 1.271 13 residues pruned to eliminate duplicates Z: 14 16.238 1.601 0.795 0.874 0.923 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 13 14.441 1.904 0.467 0.803 0.917 0.750 CA 1.249 13 residues pruned to eliminate duplicates Z: 16 23.363 2.006 0.801 0.889 0.933 0.400 CA 1.287 16 residues pruned to eliminate duplicates Z: 9 9.013 1.929 0.383 0.770 0.750 0.500 CB 1.253 8 residues pruned to eliminate duplicates Z: 14 21.582 2.192 0.534 0.710 1.000 0.846 CA 1.472 14 residues pruned to eliminate duplicates Z: 15 28.182 2.262 0.647 0.846 1.000 0.714 CA 1.502 15 residues pruned to eliminate duplicates Z: 52 22.265 1.802 0.424 0.523 0.882 0.471 CB 1.345 21 residues pruned to eliminate duplicates Z: 6 12.711 1.947 0.666 0.791 1.000 0.800 CB 1.357 Z: 15 28.232 2.096 0.770 0.886 0.929 0.571 CB 1.580 15 residues pruned to eliminate duplicates Z: 15 17.321 1.754 0.666 0.828 0.857 0.500 CA 1.391 15 residues pruned to eliminate duplicates Z: 7 2.817 1.513 0.127 0.412 0.833 0.500 N 0.887 Z: 23 15.796 1.934 0.562 0.650 0.818 0.545 CB 1.184 23 residues pruned to eliminate duplicates Z: 15 12.417 1.779 0.592 0.373 0.929 0.571 CA 1.445 15 residues pruned to eliminate duplicates Z: 29 20.997 1.992 0.499 0.539 0.929 0.571 CA 1.378 29 residues pruned to eliminate duplicates Z: 14 15.129 1.580 0.629 0.910 1.000 0.846 CB 1.156 14 residues pruned to eliminate duplicates Z: 26 20.047 1.858 0.555 0.541 0.920 0.640 CA 1.449 26 residues pruned to eliminate duplicates Z: 6 6.271 1.977 -0.070 0.855 1.000 0.800 CA 1.126 6 residues pruned to eliminate duplicates Z: 7 7.723 1.578 0.715 0.721 0.833 0.833 CA 1.145 7 residues pruned to eliminate duplicates Z: 26 21.511 1.901 0.644 0.680 0.960 0.640 CA 1.215 29 residues pruned to eliminate duplicates Z: 15 9.766 1.755 0.633 0.323 0.857 0.714 CA 1.292 15 residues pruned to eliminate duplicates Z: 18 9.071 1.736 0.299 0.474 0.824 0.647 CA 1.216 8 residues pruned to eliminate duplicates Z: 13 19.836 1.960 0.814 0.797 0.917 0.667 CA 1.355 13 residues pruned to eliminate duplicates Z: 10 20.827 2.193 0.521 0.875 1.000 0.556 CB 1.513 10 residues pruned to eliminate duplicates Z: 34 13.979 1.665 0.542 0.478 0.909 0.545 CA 1.066 14 residues pruned to eliminate duplicates Z: 15 19.950 1.913 0.681 0.892 1.000 0.714 CA 1.191 15 residues pruned to eliminate duplicates Z: 54 33.308 2.056 0.661 0.542 0.925 0.604 CA 1.391 54 residues pruned to eliminate duplicates Z: 7 3.310 1.321 0.513 0.409 1.000 0.833 N 0.744 Z: 15 24.493 1.853 1.020 0.925 1.000 0.714 CB 1.227 15 residues pruned to eliminate duplicates Z: 7 10.524 1.705 0.626 0.838 1.000 0.667 CB 1.159 6 residues pruned to eliminate duplicates Z: 13 26.006 2.077 0.719 0.893 1.000 0.833 CA 1.510 13 residues pruned to eliminate duplicates Z: 7 10.870 1.744 0.339 0.847 1.000 0.667 CA 1.411 Z: 13 12.177 1.647 0.263 0.900 1.000 1.000 CB 1.206 13 residues pruned to eliminate duplicates Z: 11 15.251 1.803 0.471 0.902 1.000 0.700 CA 1.297 11 residues pruned to eliminate duplicates Z: 13 14.353 1.749 0.355 0.871 1.000 0.833 CA 1.274 13 residues pruned to eliminate duplicates Z: 15 22.894 2.045 0.596 0.894 0.929 0.786 CA 1.449 15 residues pruned to eliminate duplicates Z: 10 12.582 1.784 0.874 0.817 0.889 0.778 CA 1.072 10 residues pruned to eliminate duplicates Z: 31 19.283 1.945 0.699 0.495 0.867 0.533 CB 1.235 31 residues pruned to eliminate duplicates Z: 13 23.449 2.074 0.770 0.912 0.917 0.667 CA 1.424 13 residues pruned to eliminate duplicates Z: 8 5.556 1.809 0.331 0.427 1.000 0.714 CB 0.941 8 residues pruned to eliminate duplicates Z: 14 21.928 2.005 0.711 0.889 1.000 0.769 CA 1.276 14 residues pruned to eliminate duplicates Z: 16 29.281 2.197 0.632 0.881 1.000 0.467 CB 1.527 16 residues pruned to eliminate duplicates Z: 14 22.863 1.946 0.958 0.919 1.000 0.615 CA 1.173 15 residues pruned to eliminate duplicates Z: 15 19.674 2.045 0.552 0.849 1.000 0.714 CB 1.228 15 residues pruned to eliminate duplicates Z: 13 26.065 2.085 0.809 0.907 0.917 0.667 CA 1.547 13 residues pruned to eliminate duplicates Z: 16 18.617 2.064 0.333 0.871 1.000 0.800 CA 1.274 16 residues pruned to eliminate duplicates Z: 45 20.558 1.806 0.477 0.558 0.841 0.591 CB 1.306 45 residues pruned to eliminate duplicates Z: 12 12.028 1.820 0.708 0.394 1.000 0.636 CB 1.306 Z: 8 9.292 1.770 0.405 0.861 1.000 0.714 CA 1.038 Z: 7 5.053 1.790 0.801 0.515 0.833 0.500 CB 0.756 Z: 47 29.320 1.976 0.869 0.531 0.804 0.391 CB 1.412 51 residues pruned to eliminate duplicates Z: 17 24.555 2.064 0.409 0.883 1.000 0.688 CB 1.527 17 residues pruned to eliminate duplicates Z: 14 22.168 1.993 0.859 0.839 0.923 0.769 CB 1.342 14 residues pruned to eliminate duplicates Z: 14 21.200 1.921 0.735 0.862 0.923 0.308 CA 1.403 14 residues pruned to eliminate duplicates Z: 17 32.280 2.109 0.884 0.875 1.000 0.688 CA 1.477 17 residues pruned to eliminate duplicates Z: 22 10.410 1.750 0.478 0.386 0.810 0.619 CB 1.224 20 residues pruned to eliminate duplicates Z: 16 18.874 2.151 0.289 0.865 0.933 0.800 CA 1.380 16 residues pruned to eliminate duplicates Z: 6 3.507 1.494 0.199 0.598 1.000 0.600 CA 0.797 Z: 9 7.530 1.669 0.131 0.830 1.000 0.500 CA 1.061 9 residues pruned to eliminate duplicates Z: 8 4.873 1.449 0.643 0.482 0.857 0.571 CA 0.919 8 residues pruned to eliminate duplicates Z: 67 32.029 2.027 0.375 0.611 0.924 0.697 CA 1.378 67 residues pruned to eliminate duplicates Z: 9 13.412 1.861 0.666 0.884 0.875 0.875 CA 1.263 9 residues pruned to eliminate duplicates Z: 15 20.194 1.935 0.814 0.915 0.929 0.857 CA 1.171 15 residues pruned to eliminate duplicates Z: 18 22.171 2.026 0.460 0.833 1.000 0.647 CA 1.364 18 residues pruned to eliminate duplicates Z: 12 11.229 1.637 0.490 0.897 1.000 0.909 CB 0.994 12 residues pruned to eliminate duplicates Z: 15 17.901 1.896 0.561 0.878 0.929 0.643 CB 1.264 15 residues pruned to eliminate duplicates Z: 9 8.369 1.637 0.686 0.475 0.875 0.750 CB 1.256 7 residues pruned to eliminate duplicates Z: 52 23.907 1.947 0.609 0.441 0.824 0.373 CB 1.379 50 residues pruned to eliminate duplicates Z: 11 10.317 1.559 0.653 0.897 0.800 0.600 CA 1.133 11 residues pruned to eliminate duplicates Z: 43 34.636 2.029 0.665 0.643 0.952 0.643 CA 1.453 43 residues pruned to eliminate duplicates Z: 53 33.435 2.074 0.733 0.533 0.846 0.481 CB 1.476 53 residues pruned to eliminate duplicates Z: 20 21.725 2.082 0.612 0.669 1.000 0.579 CA 1.271 20 residues pruned to eliminate duplicates Z: 16 22.214 2.130 0.237 0.924 1.000 0.933 CA 1.529 16 residues pruned to eliminate duplicates Z: 13 9.247 1.618 0.112 0.889 1.000 1.000 CB 1.067 13 residues pruned to eliminate duplicates Z: 33 24.037 1.988 0.785 0.541 0.781 0.344 CB 1.472 33 residues pruned to eliminate duplicates Z: 21 13.186 1.728 0.533 0.616 0.850 0.750 CB 1.172 21 residues pruned to eliminate duplicates Z: 6 5.534 1.658 0.007 0.658 1.000 0.600 CA 1.280 6 residues pruned to eliminate duplicates Z: 26 25.310 2.115 0.527 0.569 0.960 0.600 CA 1.527 26 residues pruned to eliminate duplicates Z: 16 26.162 2.172 0.618 0.869 1.000 0.867 CA 1.403 16 residues pruned to eliminate duplicates Z: 42 27.618 1.987 0.635 0.507 0.951 0.537 CB 1.385 43 residues pruned to eliminate duplicates Z: 7 3.468 1.548 -0.013 0.506 1.000 0.667 CB 0.922 Z: 15 23.469 1.863 0.958 0.862 1.000 0.500 CA 1.263 15 residues pruned to eliminate duplicates Z: 8 10.256 1.739 0.294 0.838 1.000 0.714 CA 1.288 7 residues pruned to eliminate duplicates Z: 6 6.335 1.899 0.097 0.574 0.800 0.600 CA 1.584 Z: 18 13.153 2.051 0.366 0.407 0.882 0.529 CA 1.424 18 residues pruned to eliminate duplicates Z: 20 18.256 1.843 0.631 0.716 1.000 0.684 CB 1.146 14 residues pruned to eliminate duplicates Z: 7 9.527 1.626 0.450 0.853 1.000 1.000 CA 1.219 7 residues pruned to eliminate duplicates Z: 9 4.296 1.815 0.259 0.598 0.500 0.250 CB 1.211 9 residues pruned to eliminate duplicates Z: 14 26.360 2.205 0.553 0.933 0.846 0.385 CA 1.761 14 residues pruned to eliminate duplicates Z: 9 6.913 1.627 0.220 0.826 0.875 0.625 CB 1.061 9 residues pruned to eliminate duplicates Z: 9 9.518 1.939 0.613 0.372 0.875 0.625 CA 1.411 9 residues pruned to eliminate duplicates Z: 22 13.108 1.786 0.432 0.504 0.905 0.667 CB 1.231 22 residues pruned to eliminate duplicates Z: 12 10.519 1.902 0.279 0.706 0.909 0.545 CA 1.189 12 residues pruned to eliminate duplicates Z: 13 12.815 1.948 0.142 0.838 1.000 0.417 CA 1.243 13 residues pruned to eliminate duplicates Z: 15 18.757 1.896 0.691 0.818 0.929 0.714 CA 1.277 15 residues pruned to eliminate duplicates Z: 13 16.066 1.777 0.599 0.793 0.917 0.333 CA 1.378 15 residues pruned to eliminate duplicates Z: 17 23.871 2.031 0.564 0.913 1.000 0.938 CA 1.329 17 residues pruned to eliminate duplicates Z: 6 7.508 1.712 0.385 0.786 1.000 0.600 CA 1.102 6 residues pruned to eliminate duplicates Z: 16 21.483 2.048 0.492 0.864 0.933 0.800 CA 1.425 16 residues pruned to eliminate duplicates Z: 14 13.949 1.903 0.347 0.817 0.923 0.692 CA 1.241 14 residues pruned to eliminate duplicates Z: 15 24.982 2.114 0.484 0.901 1.000 0.714 CA 1.519 15 residues pruned to eliminate duplicates Z: 29 29.981 2.082 0.636 0.618 0.929 0.607 CA 1.603 29 residues pruned to eliminate duplicates Z: 8 7.602 1.650 0.382 0.693 1.000 0.714 CB 1.056 Z: 13 12.341 1.739 0.652 0.889 0.833 0.583 CB 1.071 13 residues pruned to eliminate duplicates Z: 9 5.974 1.634 0.388 0.811 0.875 0.500 CA 0.812 Z: 12 20.925 1.991 0.708 0.886 1.000 0.727 CB 1.339 12 residues pruned to eliminate duplicates Z: 14 18.009 1.912 0.670 0.917 1.000 0.692 CA 1.104 14 residues pruned to eliminate duplicates Z: 8 10.787 1.865 0.591 0.666 0.857 0.571 CB 1.376 8 residues pruned to eliminate duplicates Z: 6 3.265 1.711 -0.151 0.369 1.000 0.600 C 1.157 6 residues pruned to eliminate duplicates Z: 17 24.555 1.942 0.868 0.893 0.938 0.562 CA 1.296 17 residues pruned to eliminate duplicates Z: 15 21.703 1.804 0.926 0.863 1.000 0.714 CA 1.225 21 residues pruned to eliminate duplicates Z: 17 10.092 1.927 0.448 0.310 0.875 0.562 CB 1.275 17 residues pruned to eliminate duplicates Z: 10 14.054 1.754 0.821 0.866 0.889 0.889 CA 1.208 10 residues pruned to eliminate duplicates Z: 14 18.533 1.971 0.574 0.859 1.000 0.615 CB 1.219 14 residues pruned to eliminate duplicates Z: 6 5.989 1.651 0.349 0.643 0.800 0.400 CB 1.315 6 residues pruned to eliminate duplicates Z: 9 11.021 1.781 0.390 0.825 1.000 0.625 CB 1.188 9 residues pruned to eliminate duplicates Z: 15 11.344 1.548 0.701 0.681 1.000 0.500 CB 0.975 14 residues pruned to eliminate duplicates Z: 9 8.931 1.963 0.052 0.736 0.875 0.625 CB 1.414 9 residues pruned to eliminate duplicates Z: 62 32.722 1.971 0.591 0.568 0.951 0.492 CA 1.316 55 residues pruned to eliminate duplicates Z: 33 24.612 2.056 0.489 0.586 0.906 0.531 CB 1.444 33 residues pruned to eliminate duplicates Z: 8 7.388 1.780 0.387 0.755 0.857 0.571 CA 1.052 8 residues pruned to eliminate duplicates Z: 56 27.748 2.046 0.347 0.562 0.909 0.618 CA 1.406 56 residues pruned to eliminate duplicates Z: 91 32.376 1.979 0.353 0.539 0.900 0.689 CA 1.364 155 residues pruned to eliminate duplicates Z: 6 8.355 1.675 0.465 0.851 1.000 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 7 6.318 1.576 0.510 0.539 0.833 0.833 O 1.252 6 residues pruned to eliminate duplicates Z: 43 23.478 1.826 0.562 0.494 0.905 0.452 CA 1.412 33 residues pruned to eliminate duplicates Z: 8 8.357 1.806 0.448 0.878 1.000 1.000 CA 0.876 8 residues pruned to eliminate duplicates Z: 27 22.104 1.994 0.591 0.633 0.923 0.577 CA 1.306 27 residues pruned to eliminate duplicates Z: 13 20.343 2.087 0.582 0.909 0.917 0.917 CA 1.377 13 residues pruned to eliminate duplicates Z: 9 14.433 1.689 0.813 0.914 1.000 0.625 CA 1.179 9 residues pruned to eliminate duplicates Z: 10 12.365 1.808 0.350 0.891 0.889 0.889 CA 1.366 10 residues pruned to eliminate duplicates Z: 24 22.842 2.028 0.572 0.718 0.913 0.870 CB 1.343 24 residues pruned to eliminate duplicates Z: 11 18.811 1.772 0.589 0.936 1.000 1.000 N 1.472 11 residues pruned to eliminate duplicates Z: 22 14.462 2.062 0.330 0.290 0.952 0.476 CB 1.530 22 residues pruned to eliminate duplicates Z: 11 10.341 1.671 0.462 0.899 1.000 0.800 CB 0.957 Z: 7 6.100 1.863 0.603 0.554 0.833 0.833 CA 0.950 Z: 14 21.654 1.975 0.771 0.904 1.000 0.769 CB 1.223 14 residues pruned to eliminate duplicates Z: 9 11.617 1.694 0.927 0.859 1.000 0.875 CA 0.926 8 residues pruned to eliminate duplicates Z: 13 13.068 1.989 0.171 0.905 1.000 0.917 CA 1.152 13 residues pruned to eliminate duplicates Z: 43 19.890 1.876 0.530 0.419 0.905 0.643 CA 1.285 7 residues pruned to eliminate duplicates Z: 15 29.952 2.151 0.837 0.863 0.929 0.429 CA 1.601 15 residues pruned to eliminate duplicates Z: 36 25.250 2.084 0.504 0.608 0.914 0.629 CA 1.344 36 residues pruned to eliminate duplicates Z: 16 21.072 1.885 0.872 0.880 0.933 0.533 CA 1.198 16 residues pruned to eliminate duplicates Z: 17 19.841 2.063 0.338 0.857 0.938 0.562 CA 1.413 17 residues pruned to eliminate duplicates Z: 13 26.508 2.074 0.851 0.932 1.000 0.917 CA 1.392 13 residues pruned to eliminate duplicates Z: 23 18.580 1.959 0.616 0.426 0.955 0.636 CB 1.416 23 residues pruned to eliminate duplicates Z: 13 7.089 1.760 0.531 0.371 0.667 0.500 CB 1.308 13 residues pruned to eliminate duplicates Z: 19 25.152 1.918 0.824 0.774 1.000 0.778 CB 1.330 14 residues pruned to eliminate duplicates 6 1.868 1.792 0.149 0.617 0.800 0.800 CB 0.454 ? Z: 10 3.231 1.414 0.194 0.279 0.889 0.556 CB 0.921 Z: 26 18.864 1.915 0.485 0.599 0.880 0.640 CB 1.371 23 residues pruned to eliminate duplicates Z: 10 11.561 1.856 0.597 0.895 1.000 0.889 CA 0.932 10 residues pruned to eliminate duplicates Z: 15 14.993 1.778 0.481 0.807 0.929 0.500 CA 1.254 15 residues pruned to eliminate duplicates Z: 13 19.799 2.066 0.628 0.863 0.917 0.750 CA 1.360 13 residues pruned to eliminate duplicates Z: 13 15.791 2.080 0.136 0.923 1.000 0.917 CA 1.356 13 residues pruned to eliminate duplicates Z: 16 24.848 1.924 0.780 0.872 1.000 0.400 CB 1.365 16 residues pruned to eliminate duplicates Z: 18 6.305 1.655 0.416 0.257 0.765 0.471 CB 1.127 18 residues pruned to eliminate duplicates Z: 8 8.863 1.767 0.832 0.819 0.857 0.714 CA 0.916 8 residues pruned to eliminate duplicates Z: 9 8.441 1.707 0.422 0.856 0.875 0.500 CA 1.035 9 residues pruned to eliminate duplicates Z: 12 15.617 1.814 0.661 0.917 1.000 0.818 CB 1.103 12 residues pruned to eliminate duplicates Z: 11 3.818 1.728 0.410 0.289 0.800 0.300 CB 0.785 11 residues pruned to eliminate duplicates Z: 15 19.135 1.979 0.623 0.652 0.929 0.429 CB 1.488 15 residues pruned to eliminate duplicates Z: 65 32.776 1.874 0.525 0.608 0.953 0.625 CB 1.358 77 residues pruned to eliminate duplicates Z: 6 5.266 1.745 0.201 0.841 0.800 0.600 CA 1.047 Z: 18 10.836 1.733 0.474 0.349 0.882 0.471 CA 1.373 18 residues pruned to eliminate duplicates Z: 26 23.430 2.064 0.551 0.660 0.920 0.720 CB 1.372 26 residues pruned to eliminate duplicates Z: 6 2.774 1.313 0.444 0.526 0.800 0.600 N 0.797 Z: 11 9.041 1.795 0.710 0.399 0.900 0.500 CB 1.151 10 residues pruned to eliminate duplicates Z: 12 15.033 1.790 0.375 0.895 1.000 0.909 CB 1.320 12 residues pruned to eliminate duplicates 6 1.991 1.515 0.068 0.454 0.600 0.400 C 0.961 ? Z: 16 11.601 1.842 0.468 0.334 0.933 0.333 CB 1.424 16 residues pruned to eliminate duplicates Z: 9 14.792 1.926 0.698 0.875 1.000 1.000 CA 1.163 10 residues pruned to eliminate duplicates Z: 13 14.467 1.757 0.520 0.791 1.000 0.750 CB 1.211 13 residues pruned to eliminate duplicates Z: 12 19.226 2.132 0.426 0.861 0.909 0.545 CA 1.541 12 residues pruned to eliminate duplicates Z: 60 29.990 1.982 0.526 0.567 0.932 0.695 CB 1.298 61 residues pruned to eliminate duplicates Z: 10 11.638 2.093 -0.080 0.877 1.000 0.889 CA 1.463 10 residues pruned to eliminate duplicates Z: 52 23.031 1.944 0.675 0.481 0.824 0.373 CB 1.226 52 residues pruned to eliminate duplicates Z: 8 10.168 1.820 0.663 0.853 0.857 0.714 CA 1.095 9 residues pruned to eliminate duplicates Z: 13 16.278 1.868 0.546 0.777 1.000 0.667 CA 1.275 13 residues pruned to eliminate duplicates Z: 8 6.862 1.668 0.459 0.365 0.857 0.571 CA 1.437 8 residues pruned to eliminate duplicates Z: 35 27.172 2.034 0.584 0.559 0.912 0.500 CB 1.498 35 residues pruned to eliminate duplicates Z: 16 13.687 1.768 0.593 0.817 0.933 0.800 CB 1.021 15 residues pruned to eliminate duplicates Z: 43 26.645 1.959 0.631 0.485 0.905 0.548 CB 1.444 43 residues pruned to eliminate duplicates Z: 12 16.938 1.728 1.073 0.872 0.909 0.909 CB 1.143 10 residues pruned to eliminate duplicates Z: 8 7.685 2.014 -0.248 0.882 1.000 0.857 CB 1.387 8 residues pruned to eliminate duplicates Z: 7 6.956 1.652 1.040 0.587 0.667 0.500 CB 1.162 Z: 35 25.443 2.024 0.655 0.486 0.941 0.676 CA 1.404 43 residues pruned to eliminate duplicates Z: 7 5.883 1.667 0.139 0.788 1.000 0.500 CB 0.982 7 residues pruned to eliminate duplicates Z: 16 10.533 1.887 0.734 0.584 0.800 0.467 CB 0.959 16 residues pruned to eliminate duplicates Z: 34 27.582 2.040 0.625 0.517 0.970 0.485 CA 1.468 34 residues pruned to eliminate duplicates Z: 22 16.759 1.985 0.711 0.436 0.857 0.476 CB 1.343 22 residues pruned to eliminate duplicates Z: 46 30.320 1.939 0.807 0.513 0.889 0.578 CB 1.433 46 residues pruned to eliminate duplicates Z: 11 9.234 1.972 0.572 0.877 0.900 0.500 CB 0.760 11 residues pruned to eliminate duplicates Z: 12 16.128 1.777 0.456 0.888 1.000 1.000 CA 1.354 12 residues pruned to eliminate duplicates Z: 12 16.079 1.928 0.940 0.471 0.909 0.636 CB 1.467 12 residues pruned to eliminate duplicates Z: 11 9.078 1.784 0.799 0.491 0.700 0.600 CB 1.289 11 residues pruned to eliminate duplicates Z: 15 10.887 1.921 0.136 0.507 0.929 0.500 CB 1.426 Z: 6 8.076 1.729 0.491 0.662 1.000 0.800 CA 1.205 6 residues pruned to eliminate duplicates Z: 11 23.780 2.078 0.668 0.930 1.000 0.300 CB 1.518 11 residues pruned to eliminate duplicates Z: 9 14.815 1.962 0.585 0.874 1.000 0.750 CA 1.226 9 residues pruned to eliminate duplicates Z: 6 6.774 1.775 0.650 0.800 1.000 1.000 CB 0.796 Z: 12 16.176 2.020 0.468 0.823 0.909 0.545 CA 1.367 12 residues pruned to eliminate duplicates Z: 10 13.026 1.805 0.772 0.561 0.889 0.667 CA 1.439 10 residues pruned to eliminate duplicates Z: 29 23.134 1.918 0.723 0.651 0.893 0.536 CA 1.287 29 residues pruned to eliminate duplicates Z: 62 31.672 2.010 0.629 0.546 0.934 0.557 CB 1.266 62 residues pruned to eliminate duplicates Z: 37 22.127 1.971 0.706 0.454 0.806 0.500 CA 1.427 37 residues pruned to eliminate duplicates Z: 66 34.886 2.065 0.398 0.622 0.938 0.615 CB 1.423 66 residues pruned to eliminate duplicates Z: 11 6.896 1.809 0.668 0.381 0.800 0.600 CB 1.026 9 residues pruned to eliminate duplicates Z: 15 9.553 1.909 0.404 0.351 0.786 0.429 CA 1.424 15 residues pruned to eliminate duplicates Z: 7 4.829 1.800 0.307 0.485 1.000 0.667 CB 0.851 7 residues pruned to eliminate duplicates Z: 7 10.548 1.775 1.012 0.848 1.000 1.000 CA 0.894 6 residues pruned to eliminate duplicates Z: 13 8.858 1.708 0.024 0.917 1.000 0.917 CB 1.032 13 residues pruned to eliminate duplicates Z: 18 10.391 1.758 0.446 0.392 0.882 0.647 CB 1.260 15 residues pruned to eliminate duplicates Z: 7 2.905 1.662 0.117 0.501 0.833 0.500 CB 0.766 Z: 17 28.383 2.070 0.662 0.884 1.000 0.562 CB 1.490 17 residues pruned to eliminate duplicates Z: 7 7.141 1.718 0.796 0.851 1.000 0.833 CA 0.700 7 residues pruned to eliminate duplicates Z: 6 6.422 1.484 0.539 0.769 1.000 0.600 CB 0.990 6 residues pruned to eliminate duplicates Z: 33 13.807 1.839 0.469 0.310 0.844 0.562 CB 1.323 47 residues pruned to eliminate duplicates Z: 54 28.429 1.989 0.452 0.562 0.925 0.509 CB 1.378 54 residues pruned to eliminate duplicates Z: 33 29.908 2.062 0.679 0.589 0.969 0.656 CA 1.448 33 residues pruned to eliminate duplicates Z: 13 17.962 2.074 0.312 0.872 1.000 0.833 CA 1.389 13 residues pruned to eliminate duplicates Z: 14 12.210 1.719 0.491 0.857 1.000 0.769 CA 0.974 14 residues pruned to eliminate duplicates Z: 8 6.320 1.693 0.250 0.805 0.714 0.429 CA 1.211 8 residues pruned to eliminate duplicates Z: 39 23.222 1.915 0.730 0.515 0.895 0.553 CA 1.253 39 residues pruned to eliminate duplicates Z: 12 17.340 2.019 0.590 0.863 0.909 0.455 CA 1.314 12 residues pruned to eliminate duplicates Z: 13 17.162 1.887 0.604 0.813 1.000 0.833 CA 1.246 13 residues pruned to eliminate duplicates Z: 15 22.199 2.055 0.596 0.842 0.857 0.357 CB 1.573 15 residues pruned to eliminate duplicates Z: 14 14.633 1.830 0.377 0.786 1.000 0.692 CB 1.252 14 residues pruned to eliminate duplicates Z: 29 19.844 1.924 0.636 0.555 0.893 0.500 CA 1.265 15 residues pruned to eliminate duplicates Z: 12 19.825 1.881 0.990 0.916 1.000 0.455 CA 1.127 14 residues pruned to eliminate duplicates Z: 32 18.384 1.950 0.703 0.561 0.871 0.516 CB 1.076 32 residues pruned to eliminate duplicates Z: 15 21.398 1.897 0.773 0.876 1.000 0.786 CA 1.236 15 residues pruned to eliminate duplicates Z: 9 14.306 2.017 0.653 0.902 1.000 1.000 CB 1.082 9 residues pruned to eliminate duplicates Z: 66 34.365 2.007 0.571 0.599 0.877 0.646 CA 1.403 66 residues pruned to eliminate duplicates Z: 14 20.153 1.927 0.825 0.888 1.000 0.615 CA 1.145 14 residues pruned to eliminate duplicates Z: 14 20.096 1.943 0.759 0.908 0.923 0.615 CA 1.255 14 residues pruned to eliminate duplicates Z: 12 9.007 1.852 0.477 0.327 0.909 0.727 CA 1.321 12 residues pruned to eliminate duplicates Z: 6 4.774 1.560 0.358 0.680 0.800 0.800 N 1.068 Z: 59 32.349 1.996 0.733 0.466 0.897 0.534 CB 1.418 59 residues pruned to eliminate duplicates Z: 32 10.913 1.740 0.368 0.461 0.806 0.419 CB 1.063 23 residues pruned to eliminate duplicates Z: 14 14.754 1.786 0.662 0.887 0.923 0.692 CB 1.077 14 residues pruned to eliminate duplicates Z: 8 10.631 1.864 0.453 0.811 1.000 1.000 CA 1.131 Z: 48 30.879 2.069 0.643 0.546 0.915 0.638 CB 1.385 48 residues pruned to eliminate duplicates Z: 15 17.083 1.944 0.216 0.925 1.000 1.000 CA 1.355 15 residues pruned to eliminate duplicates Z: 10 5.421 1.701 0.186 0.487 0.667 0.556 CA 1.361 Z: 16 24.015 1.997 0.771 0.932 0.933 0.600 CA 1.312 16 residues pruned to eliminate duplicates Z: 16 24.539 2.123 0.726 0.869 0.933 0.800 CB 1.353 16 residues pruned to eliminate duplicates Z: 12 7.831 1.591 0.647 0.903 1.000 0.818 CB 0.642 11 residues pruned to eliminate duplicates Z: 32 21.338 1.918 0.655 0.479 0.903 0.677 CB 1.366 32 residues pruned to eliminate duplicates Z: 26 17.179 1.917 0.388 0.554 0.880 0.640 CA 1.392 17 residues pruned to eliminate duplicates Z: 12 13.017 1.840 0.462 0.907 1.000 0.818 CA 1.036 12 residues pruned to eliminate duplicates Z: 15 31.725 2.113 0.821 0.901 1.000 0.571 CA 1.573 15 residues pruned to eliminate duplicates Z: 11 8.474 1.746 0.610 0.381 0.900 0.700 CA 1.201 11 residues pruned to eliminate duplicates Z: 6 4.238 1.771 0.089 0.361 1.000 0.800 CB 1.141 Z: 11 22.057 1.774 0.959 0.894 1.000 0.500 CA 1.439 11 residues pruned to eliminate duplicates Z: 7 4.428 1.771 -0.105 0.622 1.000 0.500 CB 1.016 Z: 9 20.846 2.066 1.027 0.896 1.000 1.000 CA 1.261 9 residues pruned to eliminate duplicates Z: 18 16.246 1.871 0.420 0.890 1.000 0.765 CA 1.067 18 residues pruned to eliminate duplicates Z: 9 7.820 1.827 0.137 0.704 0.875 0.625 CA 1.264 9 residues pruned to eliminate duplicates Z: 50 30.268 2.007 0.703 0.574 0.898 0.490 CB 1.312 50 residues pruned to eliminate duplicates Z: 39 21.240 1.819 0.545 0.517 0.868 0.579 CA 1.388 24 residues pruned to eliminate duplicates Z: 12 26.579 2.012 1.003 0.912 1.000 0.727 CA 1.408 12 residues pruned to eliminate duplicates Z: 6 5.714 1.606 0.540 0.740 1.000 0.800 CA 0.833 Z: 8 6.861 1.578 0.726 0.644 1.000 0.714 CB 0.832 Z: 6 11.498 2.119 0.489 0.830 1.000 0.800 CA 1.225 6 residues pruned to eliminate duplicates Z: 14 11.832 1.768 0.791 0.491 0.923 0.769 CB 1.133 Z: 6 3.418 1.560 0.192 0.774 0.600 0.400 CB 1.076 7 residues pruned to eliminate duplicates Z: 15 12.629 1.493 0.800 0.781 0.786 0.714 N 1.248 15 residues pruned to eliminate duplicates Z: 10 15.083 2.000 0.557 0.931 1.000 1.000 CA 1.129 10 residues pruned to eliminate duplicates Z: 22 14.135 1.938 0.768 0.404 0.762 0.429 CB 1.307 22 residues pruned to eliminate duplicates Z: 9 12.766 1.890 0.378 0.841 1.000 0.875 CA 1.293 9 residues pruned to eliminate duplicates Z: 10 12.933 1.759 0.689 0.854 0.889 0.889 CA 1.206 10 residues pruned to eliminate duplicates Z: 43 26.345 2.005 0.531 0.573 0.881 0.595 CA 1.401 43 residues pruned to eliminate duplicates Z: 15 15.400 1.679 0.642 0.882 1.000 0.786 CA 1.080 15 residues pruned to eliminate duplicates Z: 16 7.788 1.607 0.336 0.447 0.867 0.667 CB 1.141 6 residues pruned to eliminate duplicates Z: 69 37.679 2.012 0.483 0.624 0.971 0.647 CB 1.404 69 residues pruned to eliminate duplicates Z: 62 29.733 2.018 0.675 0.391 0.885 0.492 CB 1.428 62 residues pruned to eliminate duplicates Z: 13 13.056 2.087 0.211 0.836 0.833 0.667 CA 1.339 13 residues pruned to eliminate duplicates Z: 15 13.233 1.850 0.567 0.824 0.786 0.714 CB 1.173 15 residues pruned to eliminate duplicates Z: 52 27.130 1.978 0.587 0.458 0.922 0.588 CA 1.370 58 residues pruned to eliminate duplicates Z: 35 15.250 1.764 0.578 0.469 0.912 0.735 CA 1.063 39 residues pruned to eliminate duplicates Z: 6 3.944 1.497 0.068 0.407 1.000 0.400 CA 1.217 6 residues pruned to eliminate duplicates Z: 12 9.881 1.795 0.613 0.308 1.000 0.727 CA 1.274 11 residues pruned to eliminate duplicates Z: 61 37.627 2.022 0.713 0.534 0.983 0.517 CB 1.380 61 residues pruned to eliminate duplicates Z: 7 3.954 1.538 0.290 0.504 0.667 0.667 N 1.215 Z: 8 9.739 1.815 0.657 0.841 1.000 0.714 CA 0.913 8 residues pruned to eliminate duplicates Z: 7 5.683 1.703 0.109 0.822 0.833 0.667 CA 1.115 7 residues pruned to eliminate duplicates Z: 19 18.451 1.918 0.435 0.700 0.889 0.667 CA 1.481 19 residues pruned to eliminate duplicates Z: 8 4.371 1.370 0.456 0.617 0.857 0.714 CA 0.866 8 residues pruned to eliminate duplicates Z: 9 4.275 1.570 0.418 0.446 0.875 0.750 CB 0.820 Z: 29 14.603 1.727 0.616 0.494 0.929 0.500 CB 1.071 30 residues pruned to eliminate duplicates Z: 18 9.084 1.593 0.563 0.337 0.941 0.588 CB 1.123 Z: 8 6.819 1.839 -0.056 0.820 1.000 0.857 CB 1.125 8 residues pruned to eliminate duplicates Z: 16 24.902 2.187 0.508 0.870 1.000 0.533 CA 1.423 16 residues pruned to eliminate duplicates Z: 6 3.234 1.545 0.278 0.441 1.000 0.600 CB 0.778 5 residues pruned to eliminate duplicates Z: 12 17.074 1.690 0.925 0.866 1.000 0.545 CA 1.158 12 residues pruned to eliminate duplicates Z: 19 20.148 2.112 0.329 0.809 0.944 0.778 CB 1.369 19 residues pruned to eliminate duplicates Z: 66 35.087 2.082 0.558 0.526 0.923 0.600 CB 1.417 66 residues pruned to eliminate duplicates Z: 9 8.050 1.705 0.370 0.490 1.000 0.625 CB 1.231 Z: 14 13.614 1.905 0.848 0.649 0.923 0.692 CA 1.012 14 residues pruned to eliminate duplicates Z: 6 4.409 1.449 0.608 0.370 1.000 0.400 CB 0.972 Z: 6 9.973 1.880 0.643 0.783 1.000 0.800 CB 1.126 Z: 31 13.488 1.704 0.672 0.341 0.800 0.567 CB 1.285 31 residues pruned to eliminate duplicates Z: 11 19.795 2.016 0.752 0.911 1.000 0.900 CA 1.256 11 residues pruned to eliminate duplicates Z: 13 10.285 1.847 0.722 0.372 0.750 0.583 CA 1.428 13 residues pruned to eliminate duplicates Z: 13 16.473 1.697 0.713 0.907 1.000 0.667 CB 1.163 13 residues pruned to eliminate duplicates Z: 13 16.978 1.779 0.480 0.921 1.000 0.917 CA 1.311 13 residues pruned to eliminate duplicates Z: 9 13.525 2.074 0.450 0.882 1.000 0.625 CB 1.150 9 residues pruned to eliminate duplicates Z: 7 2.945 1.617 0.276 0.495 1.000 0.667 CB 0.586 7 residues pruned to eliminate duplicates Z: 37 18.948 1.838 0.565 0.546 0.889 0.556 CB 1.182 32 residues pruned to eliminate duplicates Z: 67 36.163 2.052 0.424 0.645 0.939 0.697 CA 1.417 67 residues pruned to eliminate duplicates Z: 15 19.155 1.853 0.735 0.800 1.000 0.571 CB 1.225 15 residues pruned to eliminate duplicates Z: 32 16.178 1.938 0.684 0.478 0.839 0.581 CB 1.086 32 residues pruned to eliminate duplicates Z: 8 6.146 1.810 0.529 0.541 0.857 0.143 CB 0.941 8 residues pruned to eliminate duplicates Z: 29 19.802 1.986 0.548 0.603 0.929 0.643 CA 1.188 33 residues pruned to eliminate duplicates Z: 12 9.869 1.745 0.682 0.544 0.909 0.636 CB 1.068 12 residues pruned to eliminate duplicates Z: 14 13.034 1.748 0.532 0.477 1.000 0.615 CA 1.382 10 residues pruned to eliminate duplicates Z: 12 11.137 1.769 0.472 0.843 0.909 0.455 CB 1.056 12 residues pruned to eliminate duplicates Z: 9 11.511 1.899 0.623 0.651 1.000 0.625 CB 1.147 9 residues pruned to eliminate duplicates Z: 16 14.419 1.980 0.623 0.616 0.867 0.533 CB 1.199 16 residues pruned to eliminate duplicates Z: 13 16.056 1.743 0.627 0.834 0.917 0.667 CA 1.337 12 residues pruned to eliminate duplicates Z: 12 11.715 2.022 0.439 0.875 0.909 0.455 CB 0.971 12 residues pruned to eliminate duplicates Z: 31 27.920 2.051 0.752 0.542 0.900 0.333 CB 1.512 31 residues pruned to eliminate duplicates Z: 6 8.732 1.699 0.530 0.858 1.000 0.800 CB 1.106 6 residues pruned to eliminate duplicates Z: 7 7.577 1.598 0.233 0.820 1.000 0.500 CA 1.190 7 residues pruned to eliminate duplicates Z: 43 25.438 1.948 0.653 0.488 0.952 0.500 CB 1.296 64 residues pruned to eliminate duplicates Z: 55 23.331 1.936 0.437 0.423 0.963 0.537 CB 1.283 138 residues pruned to eliminate duplicates Z: 13 11.535 1.749 0.612 0.814 0.917 0.750 CB 0.981 13 residues pruned to eliminate duplicates Z: 10 19.711 1.774 1.171 0.927 0.889 0.556 CA 1.345 10 residues pruned to eliminate duplicates Z: 79 38.574 1.979 0.591 0.558 0.949 0.615 CB 1.382 77 residues pruned to eliminate duplicates Z: 53 35.104 2.136 0.541 0.597 0.942 0.654 CB 1.431 53 residues pruned to eliminate duplicates Z: 13 21.674 1.934 0.789 0.900 1.000 0.667 CB 1.292 Z: 14 6.664 1.709 0.505 0.300 0.692 0.385 CA 1.297 14 residues pruned to eliminate duplicates Z: 11 9.114 1.638 0.399 0.815 1.000 0.600 CA 0.957 19 residues pruned to eliminate duplicates Z: 22 15.319 1.902 0.733 0.615 0.857 0.667 CA 1.061 24 residues pruned to eliminate duplicates Z: 14 15.495 1.890 0.343 0.862 1.000 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 32 22.112 1.957 0.545 0.603 0.903 0.548 CB 1.318 32 residues pruned to eliminate duplicates Z: 14 14.339 1.784 0.396 0.874 1.000 0.769 CA 1.162 14 residues pruned to eliminate duplicates Z: 10 13.021 1.837 0.887 0.781 0.778 0.556 CA 1.257 10 residues pruned to eliminate duplicates Z: 12 11.052 1.755 0.463 0.862 1.000 0.818 CA 0.953 12 residues pruned to eliminate duplicates Z: 6 8.733 1.724 0.876 0.770 1.000 1.000 CB 0.950 Z: 15 11.937 1.888 0.640 0.322 0.929 0.571 CA 1.350 15 residues pruned to eliminate duplicates Z: 6 6.260 1.812 0.332 0.589 0.800 0.800 CA 1.331 6 residues pruned to eliminate duplicates Z: 9 2.361 1.559 0.065 0.174 0.750 0.250 CB 0.994 9 residues pruned to eliminate duplicates Z: 9 3.119 1.587 0.213 0.342 0.625 0.375 CB 1.088 9 residues pruned to eliminate duplicates 6 1.854 1.565 0.018 0.347 0.600 0.600 CB 1.024 ? Z: 45 30.373 1.995 0.846 0.532 0.886 0.477 CB 1.360 45 residues pruned to eliminate duplicates Z: 37 19.478 1.880 0.462 0.515 0.833 0.556 CA 1.397 37 residues pruned to eliminate duplicates Z: 8 10.578 1.970 0.624 0.551 0.857 0.429 CB 1.387 8 residues pruned to eliminate duplicates Z: 21 19.943 2.043 0.566 0.646 0.900 0.350 CA 1.351 21 residues pruned to eliminate duplicates Z: 35 34.297 2.128 0.636 0.681 0.971 0.706 CA 1.473 35 residues pruned to eliminate duplicates Z: 11 15.786 2.095 0.413 0.918 0.900 0.600 CA 1.322 11 residues pruned to eliminate duplicates Z: 21 10.364 1.737 0.448 0.338 0.900 0.500 CA 1.221 21 residues pruned to eliminate duplicates Z: 43 28.256 2.055 0.571 0.485 0.905 0.571 CA 1.515 Z: 40 29.172 2.058 0.403 0.663 0.949 0.692 CA 1.467 40 residues pruned to eliminate duplicates Z: 15 14.085 1.934 0.362 0.617 0.929 0.786 CA 1.377 15 residues pruned to eliminate duplicates Z: 9 7.606 1.739 -0.014 0.862 1.000 0.625 CB 1.152 9 residues pruned to eliminate duplicates Z: 29 23.942 2.032 0.667 0.587 0.893 0.750 CA 1.376 28 residues pruned to eliminate duplicates Z: 17 19.527 2.072 0.409 0.852 1.000 0.875 CA 1.236 17 residues pruned to eliminate duplicates Z: 22 23.373 2.050 0.520 0.684 1.000 0.810 CA 1.383 22 residues pruned to eliminate duplicates Z: 10 17.400 1.908 0.676 0.885 1.000 1.000 CB 1.309 10 residues pruned to eliminate duplicates Z: 35 16.954 1.835 0.443 0.497 0.882 0.588 CA 1.249 35 residues pruned to eliminate duplicates Z: 28 15.957 1.771 0.668 0.383 0.852 0.593 CA 1.382 28 residues pruned to eliminate duplicates Z: 12 18.264 1.848 0.483 0.916 1.000 0.909 CA 1.418 12 residues pruned to eliminate duplicates Z: 8 6.404 1.732 0.830 0.541 0.714 0.571 N 1.027 7 residues pruned to eliminate duplicates Z: 26 13.858 1.874 0.554 0.423 0.840 0.440 CA 1.228 26 residues pruned to eliminate duplicates Z: 35 20.705 1.789 0.616 0.543 0.882 0.412 CB 1.335 35 residues pruned to eliminate duplicates Z: 13 19.509 2.012 0.600 0.872 1.000 0.500 CB 1.275 13 residues pruned to eliminate duplicates Z: 13 21.684 2.022 0.839 0.892 0.917 0.750 CB 1.319 13 residues pruned to eliminate duplicates Z: 7 4.283 1.553 0.319 0.423 1.000 0.667 CA 0.925 7 residues pruned to eliminate duplicates Z: 6 2.892 1.353 0.255 0.673 0.800 0.800 CB 0.811 6 residues pruned to eliminate duplicates Z: 16 23.552 2.143 0.506 0.849 1.000 0.667 CA 1.397 16 residues pruned to eliminate duplicates Z: 62 31.662 1.882 0.583 0.621 0.918 0.656 CB 1.322 62 residues pruned to eliminate duplicates Z: 13 12.916 1.613 0.486 0.837 1.000 0.750 CA 1.164 13 residues pruned to eliminate duplicates Z: 12 10.832 1.926 0.450 0.381 1.000 0.909 CA 1.328 12 residues pruned to eliminate duplicates Z: 13 14.766 2.021 0.518 0.857 0.917 0.750 CA 1.117 13 residues pruned to eliminate duplicates Z: 65 28.508 1.923 0.444 0.518 0.906 0.531 CB 1.390 78 residues pruned to eliminate duplicates Z: 7 4.926 1.479 0.640 0.347 1.000 0.333 CA 0.979 6 residues pruned to eliminate duplicates Z: 6 8.523 1.720 0.741 0.763 1.000 1.000 CB 1.007 6 residues pruned to eliminate duplicates Z: 17 11.538 1.823 0.520 0.328 0.938 0.750 CB 1.342 17 residues pruned to eliminate duplicates Z: 9 4.992 1.632 0.009 0.458 0.875 0.500 CB 1.279 9 residues pruned to eliminate duplicates Z: 7 6.139 1.607 0.437 0.546 0.833 0.333 N 1.245 Z: 21 10.133 1.747 0.719 0.509 0.800 0.550 CB 0.935 21 residues pruned to eliminate duplicates Z: 13 11.750 1.750 0.310 0.832 0.917 0.833 CA 1.212 13 residues pruned to eliminate duplicates Z: 12 15.994 1.841 0.437 0.863 1.000 0.909 CA 1.337 12 residues pruned to eliminate duplicates Z: 14 8.491 1.730 0.359 0.553 0.846 0.462 CB 1.124 12 residues pruned to eliminate duplicates Z: 24 30.431 2.107 0.564 0.700 1.000 0.696 CB 1.605 24 residues pruned to eliminate duplicates Z: 15 11.441 1.868 0.641 0.457 0.714 0.643 CA 1.458 33 residues pruned to eliminate duplicates 8 1.923 1.597 -0.110 0.331 0.857 0.571 CB 0.718 ? 8 1.814 1.402 0.585 0.306 0.714 0.429 CB 0.535 ? Z: 38 23.254 1.979 0.436 0.507 0.946 0.622 CA 1.413 21 residues pruned to eliminate duplicates Z: 13 9.714 1.696 0.391 0.833 0.917 0.667 CB 0.973 13 residues pruned to eliminate duplicates Z: 55 30.684 2.001 0.559 0.487 0.963 0.648 CB 1.408 46 residues pruned to eliminate duplicates Z: 8 5.940 1.426 0.816 0.811 0.857 0.286 CB 0.772 8 residues pruned to eliminate duplicates Z: 9 3.509 1.586 0.327 0.129 0.875 0.375 CB 1.071 9 residues pruned to eliminate duplicates Z: 17 11.798 1.637 0.602 0.724 0.812 0.625 CB 1.131 17 residues pruned to eliminate duplicates Z: 6 5.743 1.559 0.836 0.721 1.000 0.800 CB 0.735 Z: 10 16.165 1.860 0.672 0.881 0.889 0.444 CB 1.412 10 residues pruned to eliminate duplicates Z: 35 21.826 2.009 0.444 0.507 0.971 0.500 CB 1.320 35 residues pruned to eliminate duplicates Z: 32 15.613 1.948 0.417 0.493 0.903 0.645 CA 1.133 32 residues pruned to eliminate duplicates Z: 7 3.453 1.548 0.335 0.446 0.667 0.500 CA 1.081 7 residues pruned to eliminate duplicates Z: 11 18.308 1.906 0.881 0.940 1.000 0.400 CA 1.122 11 residues pruned to eliminate duplicates Z: 9 5.043 1.367 0.399 0.750 0.875 0.500 CA 0.852 7 residues pruned to eliminate duplicates Z: 11 4.782 1.562 0.386 0.364 0.700 0.600 CA 1.156 11 residues pruned to eliminate duplicates Z: 12 6.555 1.520 0.669 0.424 0.818 0.273 CA 1.031 Z: 8 5.172 1.628 0.953 0.595 0.857 0.714 CB 0.655 Z: 7 2.145 1.573 -0.116 0.522 0.667 0.500 CB 0.925 Z: 19 10.759 1.710 0.468 0.446 0.833 0.389 CA 1.282 22 residues pruned to eliminate duplicates Z: 16 10.621 1.733 0.745 0.377 0.933 0.667 CB 1.108 17 residues pruned to eliminate duplicates Z: 30 14.935 1.788 0.702 0.518 0.828 0.690 CB 1.082 33 residues pruned to eliminate duplicates Z: 36 22.519 1.989 0.539 0.506 0.886 0.657 CB 1.395 35 residues pruned to eliminate duplicates Z: 42 32.586 2.029 0.644 0.638 0.951 0.756 CA 1.410 42 residues pruned to eliminate duplicates Z: 17 3.321 1.400 0.448 0.205 0.688 0.375 CB 0.845 10 residues pruned to eliminate duplicates Z: 8 7.060 1.868 0.526 0.875 1.000 1.000 CB 0.681 8 residues pruned to eliminate duplicates Z: 16 19.019 1.940 0.677 0.656 0.867 0.733 CB 1.506 16 residues pruned to eliminate duplicates Z: 13 19.481 1.959 0.699 0.802 1.000 0.750 CA 1.298 13 residues pruned to eliminate duplicates Z: 12 6.620 1.492 0.552 0.606 0.909 0.636 CB 0.857 6 residues pruned to eliminate duplicates Z: 9 4.329 1.470 0.553 0.524 0.750 0.625 CB 0.873 Z: 32 27.675 2.030 0.666 0.578 0.935 0.581 CB 1.458 32 residues pruned to eliminate duplicates Z: 18 21.104 1.940 0.537 0.749 1.000 0.765 CA 1.375 18 residues pruned to eliminate duplicates Z: 9 10.445 1.762 0.579 0.821 1.000 0.875 CA 1.004 9 residues pruned to eliminate duplicates Z: 37 11.959 1.659 0.408 0.384 0.861 0.528 CB 1.120 37 residues pruned to eliminate duplicates Z: 6 5.925 1.753 -0.168 0.850 1.000 0.600 N 1.345 6 residues pruned to eliminate duplicates Z: 10 13.355 1.790 0.937 0.888 0.889 0.444 CB 1.041 10 residues pruned to eliminate duplicates Z: 14 21.721 1.972 0.677 0.872 0.923 0.538 CB 1.439 14 residues pruned to eliminate duplicates Z: 33 22.773 2.003 0.660 0.536 0.844 0.594 CA 1.384 33 residues pruned to eliminate duplicates Z: 11 12.400 1.698 0.474 0.840 1.000 0.900 CB 1.169 11 residues pruned to eliminate duplicates Z: 13 8.727 1.549 0.535 0.368 0.917 0.583 CA 1.331 11 residues pruned to eliminate duplicates Z: 10 6.346 1.593 0.375 0.748 1.000 0.556 CA 0.773 10 residues pruned to eliminate duplicates Z: 12 16.592 1.919 0.893 0.817 0.909 0.727 CA 1.150 12 residues pruned to eliminate duplicates Z: 24 14.849 1.859 0.463 0.553 0.870 0.565 CB 1.243 24 residues pruned to eliminate duplicates Z: 12 15.232 1.959 0.414 0.875 0.909 0.818 CA 1.326 12 residues pruned to eliminate duplicates Z: 10 7.174 1.634 0.538 0.419 0.889 0.556 CB 1.165 10 residues pruned to eliminate duplicates Z: 11 8.044 1.588 0.270 0.820 1.000 0.700 CA 0.955 11 residues pruned to eliminate duplicates Z: 17 15.467 2.123 0.294 0.396 1.000 0.500 CA 1.570 17 residues pruned to eliminate duplicates Z: 17 24.698 2.125 0.617 0.858 1.000 0.750 CA 1.323 17 residues pruned to eliminate duplicates Z: 12 12.488 1.781 0.411 0.552 0.909 0.727 O 1.567 12 residues pruned to eliminate duplicates Z: 13 27.837 2.123 0.728 0.939 1.000 0.417 CB 1.522 13 residues pruned to eliminate duplicates Z: 61 30.632 2.018 0.675 0.472 0.883 0.517 CB 1.363 61 residues pruned to eliminate duplicates Z: 27 11.654 1.669 0.474 0.524 0.769 0.500 CA 1.180 27 residues pruned to eliminate duplicates Z: 6 6.901 1.919 0.498 0.688 0.800 0.800 CB 1.129 6 residues pruned to eliminate duplicates Z: 36 16.156 1.871 0.843 0.304 0.829 0.457 CB 1.188 36 residues pruned to eliminate duplicates Z: 13 21.231 1.988 0.769 0.902 1.000 0.833 CB 1.243 13 residues pruned to eliminate duplicates Z: 13 14.561 1.664 0.383 0.882 1.000 1.000 CB 1.322 Z: 9 9.822 1.903 0.852 0.485 0.875 0.625 CB 1.143 9 residues pruned to eliminate duplicates Z: 25 16.057 1.800 0.713 0.667 0.792 0.583 CB 1.151 22 residues pruned to eliminate duplicates Z: 9 4.097 1.789 0.302 0.276 0.875 0.875 CB 0.916 9 residues pruned to eliminate duplicates Z: 7 2.942 1.558 0.674 0.352 0.833 0.500 N 0.649 7 residues pruned to eliminate duplicates Z: 7 3.139 1.476 0.078 0.528 1.000 0.667 CB 0.784 Z: 28 15.234 1.829 0.422 0.559 0.926 0.593 CB 1.150 28 residues pruned to eliminate duplicates Z: 13 27.308 2.137 0.843 0.936 0.917 0.417 CB 1.521 13 residues pruned to eliminate duplicates Z: 16 20.268 2.094 0.646 0.700 0.933 0.600 CA 1.357 16 residues pruned to eliminate duplicates Z: 9 14.626 2.079 0.524 0.909 1.000 1.000 CA 1.158 9 residues pruned to eliminate duplicates Z: 9 4.149 1.463 0.198 0.478 1.000 0.250 CB 0.856 Z: 6 2.224 1.518 0.171 0.294 0.600 0.600 N 1.175 Z: 9 12.825 1.776 0.870 0.819 1.000 0.625 CB 1.035 9 residues pruned to eliminate duplicates Z: 76 34.948 1.995 0.538 0.499 0.947 0.560 CB 1.391 76 residues pruned to eliminate duplicates Z: 12 16.880 2.047 0.502 0.839 0.909 0.636 CB 1.359 12 residues pruned to eliminate duplicates Z: 6 4.027 1.457 0.518 0.827 0.800 0.600 CA 0.767 5 residues pruned to eliminate duplicates Z: 17 19.180 1.935 0.456 0.889 1.000 0.688 CA 1.225 17 residues pruned to eliminate duplicates Z: 15 10.577 1.643 0.674 0.792 0.857 0.429 CB 0.928 15 residues pruned to eliminate duplicates Z: 14 8.458 1.609 0.717 0.346 0.769 0.462 CB 1.305 13 residues pruned to eliminate duplicates Z: 6 7.619 1.771 0.199 0.818 1.000 0.800 CA 1.218 6 residues pruned to eliminate duplicates Z: 9 3.767 1.478 0.174 0.461 0.875 0.625 CB 0.913 Z: 34 17.189 1.910 0.609 0.395 0.758 0.364 CB 1.436 34 residues pruned to eliminate duplicates Z: 7 5.357 1.478 0.469 0.862 0.833 0.500 CB 0.888 7 residues pruned to eliminate duplicates Z: 11 3.715 1.459 0.007 0.248 0.900 0.200 CB 1.187 Z: 28 12.462 1.745 0.423 0.539 0.889 0.630 CA 1.045 27 residues pruned to eliminate duplicates Z: 40 21.712 1.940 0.732 0.448 0.795 0.359 CB 1.374 40 residues pruned to eliminate duplicates Z: 40 23.060 1.801 0.660 0.521 0.897 0.462 CA 1.349 40 residues pruned to eliminate duplicates Z: 29 17.375 1.801 0.560 0.520 0.929 0.607 CB 1.234 29 residues pruned to eliminate duplicates Z: 10 7.478 1.650 0.372 0.430 1.000 0.444 CA 1.184 10 residues pruned to eliminate duplicates Z: 15 6.476 1.623 0.396 0.402 0.714 0.571 N 1.185 15 residues pruned to eliminate duplicates Z: 9 7.025 1.678 0.386 0.679 0.875 0.375 CA 1.036 9 residues pruned to eliminate duplicates Z: 11 9.485 1.348 0.727 0.875 1.000 0.400 C 0.937 11 residues pruned to eliminate duplicates Z: 8 6.414 1.792 0.339 0.564 0.857 0.286 CB 1.108 8 residues pruned to eliminate duplicates Z: 13 5.011 1.492 0.444 0.326 0.667 0.417 CA 1.219 13 residues pruned to eliminate duplicates Z: 7 7.127 1.900 0.084 0.877 0.833 0.667 CA 1.231 7 residues pruned to eliminate duplicates Z: 9 3.652 1.684 0.305 0.371 0.750 0.375 CB 0.899 9 residues pruned to eliminate duplicates Z: 7 4.586 1.639 0.006 0.573 1.000 0.500 CB 1.058 Z: 13 6.467 1.742 0.133 0.351 0.917 0.583 CB 1.213 13 residues pruned to eliminate duplicates Z: 47 23.717 1.775 0.626 0.560 0.891 0.500 CB 1.283 47 residues pruned to eliminate duplicates Z: 24 14.727 1.801 0.443 0.675 0.957 0.739 CA 1.051 24 residues pruned to eliminate duplicates Z: 6 5.221 1.597 0.723 0.732 1.000 0.800 CB 0.689 Z: 14 8.425 1.652 0.390 0.402 0.923 0.385 CB 1.223 14 residues pruned to eliminate duplicates Z: 15 10.307 1.716 0.374 0.586 0.857 0.786 CA 1.256 15 residues pruned to eliminate duplicates Z: 10 11.435 1.726 1.026 0.647 0.889 0.556 CB 1.069 15 residues pruned to eliminate duplicates Z: 18 22.066 1.947 0.515 0.807 1.000 0.765 CA 1.388 18 residues pruned to eliminate duplicates Z: 30 19.183 1.886 0.559 0.468 0.966 0.552 CA 1.296 30 residues pruned to eliminate duplicates Z: 8 4.848 1.600 0.361 0.378 0.857 0.571 CB 1.117 Z: 24 21.118 2.045 0.641 0.574 0.870 0.565 CA 1.405 24 residues pruned to eliminate duplicates Z: 9 9.459 1.828 0.479 0.889 1.000 0.875 CB 0.890 9 residues pruned to eliminate duplicates Z: 18 7.145 1.720 0.295 0.420 0.882 0.412 CB 0.959 18 residues pruned to eliminate duplicates Z: 7 2.880 1.466 -0.035 0.394 0.833 0.333 N 1.115 7 residues pruned to eliminate duplicates Z: 23 12.370 1.706 0.529 0.246 0.955 0.409 CB 1.420 23 residues pruned to eliminate duplicates Z: 22 12.104 1.711 0.313 0.533 0.857 0.571 CB 1.328 22 residues pruned to eliminate duplicates Z: 7 2.755 1.444 0.514 0.393 0.667 0.500 CB 0.863 Z: 20 10.677 1.661 0.484 0.392 0.842 0.579 CA 1.323 19 residues pruned to eliminate duplicates Z: 14 6.466 1.643 0.606 0.406 0.769 0.462 CA 0.976 14 residues pruned to eliminate duplicates Z: 7 10.711 2.125 0.033 0.812 1.000 0.667 CB 1.518 7 residues pruned to eliminate duplicates Z: 13 14.802 2.018 0.287 0.881 0.917 0.667 CB 1.300 13 residues pruned to eliminate duplicates Z: 12 8.924 1.735 0.507 0.355 0.909 0.636 CA 1.325 12 residues pruned to eliminate duplicates Z: 9 7.508 1.627 0.251 0.852 1.000 0.750 CB 0.964 9 residues pruned to eliminate duplicates Z: 11 12.635 1.729 0.503 0.918 1.000 0.800 CB 1.084 11 residues pruned to eliminate duplicates Z: 10 7.441 1.680 0.174 0.773 0.889 0.556 CB 1.112 10 residues pruned to eliminate duplicates Z: 14 11.911 1.747 0.594 0.870 0.846 0.077 CB 1.024 14 residues pruned to eliminate duplicates Z: 50 24.382 1.945 0.514 0.568 0.857 0.510 CB 1.293 50 residues pruned to eliminate duplicates Z: 11 7.131 1.621 0.617 0.177 1.000 0.200 N 1.272 11 residues pruned to eliminate duplicates Z: 22 9.974 1.622 0.315 0.380 0.905 0.667 CB 1.283 20 residues pruned to eliminate duplicates Z: 25 17.840 1.920 0.320 0.598 0.917 0.583 CA 1.427 25 residues pruned to eliminate duplicates Z: 11 10.481 1.836 0.403 0.456 0.900 0.600 CA 1.496 11 residues pruned to eliminate duplicates Z: 11 6.432 1.520 0.420 0.532 0.900 0.500 CA 1.015 12 residues pruned to eliminate duplicates Z: 13 9.781 1.682 0.450 0.749 0.917 0.500 CA 1.012 12 residues pruned to eliminate duplicates Z: 14 10.579 1.762 0.210 0.875 1.000 0.692 CA 1.001 14 residues pruned to eliminate duplicates Z: 9 3.286 1.427 0.218 0.345 0.875 0.375 CB 0.905 3 residues pruned to eliminate duplicates Z: 9 12.799 1.818 0.725 0.519 1.000 0.625 CA 1.416 9 residues pruned to eliminate duplicates Z: 15 14.553 1.866 0.597 0.672 0.857 0.429 CB 1.300 15 residues pruned to eliminate duplicates Z: 7 5.641 1.458 0.843 0.355 1.000 0.333 CB 1.002 Z: 13 17.545 1.889 0.650 0.786 1.000 0.833 CA 1.265 13 residues pruned to eliminate duplicates Z: 26 12.142 1.750 0.289 0.568 0.920 0.760 CA 1.096 26 residues pruned to eliminate duplicates Z: 14 34.740 2.151 0.853 0.920 1.000 0.385 CA 1.703 14 residues pruned to eliminate duplicates Z: 9 13.571 1.677 0.708 0.911 1.000 0.625 CA 1.187 9 residues pruned to eliminate duplicates Z: 13 8.265 1.638 0.542 0.484 0.833 0.500 CA 1.152 13 residues pruned to eliminate duplicates Z: 7 6.258 1.698 0.422 0.543 0.833 0.833 CB 1.218 8 residues pruned to eliminate duplicates Z: 19 5.299 1.600 0.198 0.311 0.722 0.556 CB 1.112 Z: 47 22.010 1.804 0.438 0.544 0.957 0.500 CA 1.253 47 residues pruned to eliminate duplicates Z: 19 11.483 1.625 0.530 0.513 0.944 0.722 CB 1.138 22 residues pruned to eliminate duplicates Z: 9 10.572 1.811 0.934 0.911 1.000 0.500 CB 0.756 9 residues pruned to eliminate duplicates Z: 13 20.081 2.016 0.531 0.927 1.000 1.000 CA 1.316 13 residues pruned to eliminate duplicates Z: 11 15.625 1.824 0.475 0.897 1.000 0.900 CB 1.315 11 residues pruned to eliminate duplicates Z: 20 9.020 1.727 0.495 0.212 0.895 0.579 CB 1.258 20 residues pruned to eliminate duplicates Z: 13 13.546 1.763 0.450 0.881 0.833 0.583 CB 1.329 13 residues pruned to eliminate duplicates Z: 7 4.929 1.684 -0.013 0.796 0.833 0.667 CA 1.121 7 residues pruned to eliminate duplicates Z: 35 25.868 2.068 0.356 0.651 0.941 0.706 CA 1.460 35 residues pruned to eliminate duplicates Z: 6 3.597 1.484 -0.078 0.625 1.000 0.800 C 1.045 Z: 6 3.886 1.532 0.251 0.728 0.800 0.800 CA 0.923 6 residues pruned to eliminate duplicates Z: 39 25.847 2.028 0.604 0.535 0.947 0.579 CB 1.314 39 residues pruned to eliminate duplicates Z: 32 15.102 1.919 0.338 0.386 0.903 0.484 CB 1.320 32 residues pruned to eliminate duplicates Z: 41 33.891 2.072 0.672 0.653 0.925 0.700 CB 1.450 45 residues pruned to eliminate duplicates Z: 6 2.085 1.361 -0.093 0.644 0.800 0.800 CB 0.825 Z: 7 2.455 1.506 0.123 0.440 0.833 0.667 CB 0.757 Z: 9 5.279 1.727 0.255 0.368 0.875 0.500 CB 1.134 9 residues pruned to eliminate duplicates Z: 47 30.251 2.034 0.566 0.509 0.978 0.630 CA 1.418 47 residues pruned to eliminate duplicates Z: 54 30.991 2.014 0.560 0.554 0.962 0.528 CB 1.336 54 residues pruned to eliminate duplicates Z: 19 15.879 1.933 0.243 0.657 0.944 0.667 CB 1.426 19 residues pruned to eliminate duplicates Z: 54 30.063 2.075 0.512 0.551 0.887 0.623 CB 1.413 54 residues pruned to eliminate duplicates Z: 45 31.025 1.996 0.459 0.648 0.955 0.705 CA 1.466 45 residues pruned to eliminate duplicates Z: 11 11.728 1.584 0.518 0.868 1.000 0.800 CB 1.127 11 residues pruned to eliminate duplicates Z: 13 24.260 1.844 1.157 0.916 1.000 0.833 CB 1.244 Z: 37 21.590 1.855 0.448 0.636 0.944 0.694 CA 1.249 37 residues pruned to eliminate duplicates 6 1.312 1.249 0.338 0.294 0.600 0.400 CB 0.736 ? Z: 17 8.540 1.555 0.744 0.324 0.938 0.812 CB 1.019 17 residues pruned to eliminate duplicates Z: 8 5.480 1.716 0.783 0.322 0.857 0.571 CA 0.960 8 residues pruned to eliminate duplicates Z: 12 16.933 1.956 0.727 0.905 1.000 0.818 CA 1.075 12 residues pruned to eliminate duplicates Z: 6 2.362 1.484 -0.371 0.494 1.000 0.400 C 1.137 Z: 18 11.453 1.815 0.499 0.327 0.882 0.529 CA 1.400 18 residues pruned to eliminate duplicates Z: 7 4.182 1.533 0.434 0.480 1.000 0.500 CA 0.793 7 residues pruned to eliminate duplicates Z: 7 2.444 1.370 0.570 0.349 0.500 0.333 CB 1.092 Z: 10 8.951 1.722 1.114 0.517 0.778 0.333 CB 1.036 Z: 16 7.028 1.644 0.375 0.383 0.733 0.600 N 1.239 16 residues pruned to eliminate duplicates Z: 36 26.774 2.054 0.684 0.476 0.914 0.457 CA 1.466 36 residues pruned to eliminate duplicates Z: 14 10.153 1.511 0.417 0.713 0.923 0.462 CA 1.175 14 residues pruned to eliminate duplicates Z: 8 4.773 1.688 0.376 0.422 0.857 0.286 CB 0.983 8 residues pruned to eliminate duplicates Z: 10 18.515 2.046 0.723 0.880 1.000 0.444 CA 1.269 10 residues pruned to eliminate duplicates Z: 11 9.125 1.967 0.770 0.570 0.800 0.500 CB 0.968 12 residues pruned to eliminate duplicates Z: 8 4.970 1.723 1.106 0.347 0.714 0.429 CA 0.855 8 residues pruned to eliminate duplicates Z: 13 22.186 2.117 0.593 0.899 1.000 0.583 CB 1.357 13 residues pruned to eliminate duplicates Z: 6 2.011 1.132 0.216 0.290 1.000 0.400 CA 0.827 Z: 9 3.642 1.337 0.620 0.214 0.875 0.500 CB 0.951 Z: 11 9.846 1.599 0.666 0.603 1.000 0.800 CA 1.059 10 residues pruned to eliminate duplicates Z: 12 15.690 1.872 0.602 0.798 0.909 0.455 CB 1.337 12 residues pruned to eliminate duplicates Z: 9 5.376 1.513 0.568 0.479 0.875 0.625 CA 0.936 9 residues pruned to eliminate duplicates Z: 15 10.438 1.705 0.412 0.469 0.857 0.786 CB 1.396 25 residues pruned to eliminate duplicates Z: 10 3.561 1.310 0.305 0.390 0.778 0.333 N 1.003 Using tripeptides from previous cycle as seeds Z: 7 3.554 1.464 0.138 0.561 0.833 0.833 CB 0.984 7 residues pruned to eliminate duplicates Z: 9 2.270 1.438 0.514 0.254 0.750 0.500 CB 0.652 Z: 12 10.252 1.614 0.646 0.859 0.909 0.545 CB 0.942 12 residues pruned to eliminate duplicates Z: 11 8.967 1.759 0.321 0.788 1.000 0.500 CB 0.947 11 residues pruned to eliminate duplicates Z: 11 10.297 1.715 0.607 0.898 0.900 0.700 CB 0.939 11 residues pruned to eliminate duplicates Z: 12 7.898 1.591 0.348 0.784 1.000 0.273 CB 0.865 12 residues pruned to eliminate duplicates Z: 15 7.262 1.537 0.370 0.407 0.786 0.357 CB 1.293 11 residues pruned to eliminate duplicates Z: 7 8.900 1.853 0.376 0.691 1.000 0.500 CA 1.196 7 residues pruned to eliminate duplicates Z: 10 10.624 1.708 0.443 0.640 1.000 0.444 CB 1.261 10 residues pruned to eliminate duplicates Z: 10 8.846 1.673 0.450 0.597 0.889 0.444 CA 1.247 10 residues pruned to eliminate duplicates Z: 13 4.971 1.445 0.312 0.407 0.750 0.417 CA 1.112 13 residues pruned to eliminate duplicates Z: 11 7.315 1.568 0.391 0.445 0.900 0.400 CA 1.247 11 residues pruned to eliminate duplicates Z: 20 13.290 1.794 0.477 0.454 0.895 0.526 CB 1.347 32 residues pruned to eliminate duplicates Z: 6 6.278 1.934 0.625 0.306 1.000 0.400 CA 1.108 6 residues pruned to eliminate duplicates Z: 14 12.062 1.888 0.454 0.482 0.846 0.769 CB 1.466 14 residues pruned to eliminate duplicates Z: 21 9.901 1.754 0.313 0.384 0.800 0.550 CB 1.360 21 residues pruned to eliminate duplicates Z: 15 5.789 1.529 0.339 0.435 0.714 0.429 N 1.131 13 residues pruned to eliminate duplicates Z: 9 9.549 1.687 0.340 0.672 1.000 0.500 CA 1.275 11 residues pruned to eliminate duplicates Z: 8 6.321 1.705 0.065 0.695 1.000 0.714 CA 1.101 8 residues pruned to eliminate duplicates Z: 14 7.110 1.591 0.173 0.484 0.923 0.538 CB 1.163 17 residues pruned to eliminate duplicates Z: 8 7.999 1.681 0.223 0.799 1.000 0.714 CA 1.132 8 residues pruned to eliminate duplicates Z: 6 9.428 1.760 0.381 0.793 1.000 1.000 CA 1.341 6 residues pruned to eliminate duplicates Z: 12 9.548 1.705 0.310 0.524 1.000 0.364 CB 1.259 12 residues pruned to eliminate duplicates Z: 8 8.927 1.659 0.470 0.767 1.000 0.143 CB 1.091 8 residues pruned to eliminate duplicates Z: 7 10.657 1.706 0.562 0.788 1.000 0.333 CA 1.268 7 residues pruned to eliminate duplicates Z: 9 5.816 1.944 0.211 0.604 0.875 0.500 CB 0.904 9 residues pruned to eliminate duplicates Z: 7 8.844 2.052 0.078 0.811 1.000 0.333 CB 1.245 7 residues pruned to eliminate duplicates Z: 7 7.588 1.972 -0.038 0.759 1.000 0.667 CB 1.296 7 residues pruned to eliminate duplicates Z: 9 6.110 1.868 0.017 0.652 0.875 0.625 CA 1.128 9 residues pruned to eliminate duplicates Z: 9 8.971 1.822 0.263 0.811 0.875 0.875 CB 1.202 9 residues pruned to eliminate duplicates Z: 22 9.987 1.715 0.286 0.510 0.857 0.571 CB 1.142 22 residues pruned to eliminate duplicates Z: 6 2.456 1.520 1.017 0.394 0.800 0.600 CB 0.501 6 residues pruned to eliminate duplicates Z: 20 18.824 1.903 0.736 0.681 0.842 0.632 CB 1.315 21 residues pruned to eliminate duplicates Z: 13 16.108 1.975 0.498 0.686 1.000 0.667 CA 1.325 13 residues pruned to eliminate duplicates Z: 22 13.890 1.745 0.492 0.584 0.905 0.571 CB 1.187 22 residues pruned to eliminate duplicates Z: 19 15.225 1.943 0.525 0.607 0.833 0.611 CB 1.314 19 residues pruned to eliminate duplicates Z: 21 15.294 1.847 0.681 0.595 0.800 0.600 CB 1.258 21 residues pruned to eliminate duplicates Z: 14 13.874 1.890 0.399 0.681 1.000 0.769 CA 1.233 14 residues pruned to eliminate duplicates Z: 21 14.386 1.859 0.492 0.614 0.850 0.500 CB 1.224 21 residues pruned to eliminate duplicates Z: 20 14.947 1.913 0.667 0.577 0.737 0.526 CB 1.355 20 residues pruned to eliminate duplicates Z: 14 13.815 1.791 0.461 0.714 0.923 0.615 CA 1.306 14 residues pruned to eliminate duplicates Z: 20 16.174 1.874 0.565 0.661 0.895 0.632 CB 1.219 20 residues pruned to eliminate duplicates Z: 13 17.696 1.798 0.501 0.881 1.000 0.667 CB 1.371 13 residues pruned to eliminate duplicates Z: 20 16.857 1.917 0.649 0.590 0.842 0.579 CB 1.333 20 residues pruned to eliminate duplicates Z: 20 15.734 1.865 0.642 0.622 0.842 0.526 CB 1.247 20 residues pruned to eliminate duplicates Z: 24 14.161 1.861 0.678 0.525 0.739 0.435 CB 1.248 25 residues pruned to eliminate duplicates Z: 13 15.964 1.736 0.692 0.789 0.917 0.417 CB 1.328 12 residues pruned to eliminate duplicates Z: 7 6.156 1.454 0.172 0.663 1.000 0.500 CA 1.269 Z: 6 4.380 1.677 0.003 0.527 0.800 0.600 CA 1.417 6 residues pruned to eliminate duplicates Z: 32 14.704 1.896 0.573 0.434 0.839 0.581 CA 1.130 39 residues pruned to eliminate duplicates Z: 30 18.968 1.957 0.552 0.530 0.897 0.483 CA 1.256 30 residues pruned to eliminate duplicates Z: 30 17.440 1.910 0.456 0.533 0.931 0.552 CA 1.210 30 residues pruned to eliminate duplicates Z: 13 8.639 1.713 0.578 0.373 0.917 0.500 CA 1.153 Z: 6 3.266 1.481 1.504 0.297 0.800 0.400 CA 0.618 6 residues pruned to eliminate duplicates Z: 16 15.251 1.913 0.543 0.511 0.933 0.600 CA 1.413 38 residues pruned to eliminate duplicates Z: 6 5.073 1.756 0.638 0.320 0.800 0.200 CB 1.203 6 residues pruned to eliminate duplicates Z: 17 11.907 1.835 0.463 0.424 0.875 0.562 CA 1.372 17 residues pruned to eliminate duplicates Z: 33 19.185 1.921 0.621 0.520 0.906 0.500 CA 1.178 33 residues pruned to eliminate duplicates Z: 83 34.368 1.930 0.551 0.503 0.927 0.549 CB 1.364 83 residues pruned to eliminate duplicates Z: 13 14.611 2.013 0.685 0.822 0.917 0.833 CA 1.026 13 residues pruned to eliminate duplicates Z: 35 20.158 1.945 0.544 0.511 0.882 0.618 CB 1.291 35 residues pruned to eliminate duplicates Z: 32 20.028 1.978 0.538 0.515 0.968 0.516 CA 1.204 32 residues pruned to eliminate duplicates Z: 15 14.155 1.989 0.765 0.626 0.786 0.643 CA 1.218 15 residues pruned to eliminate duplicates Z: 26 18.800 1.896 0.703 0.559 0.880 0.560 CB 1.250 26 residues pruned to eliminate duplicates Z: 35 18.182 1.926 0.409 0.525 0.941 0.588 CA 1.191 35 residues pruned to eliminate duplicates Z: 30 20.829 1.914 0.608 0.570 0.931 0.724 CA 1.262 30 residues pruned to eliminate duplicates Z: 17 15.302 2.013 0.728 0.575 0.875 0.750 CA 1.170 17 residues pruned to eliminate duplicates Z: 32 22.902 2.000 0.675 0.584 0.935 0.774 CA 1.211 32 residues pruned to eliminate duplicates Z: 47 23.261 1.972 0.517 0.533 0.848 0.500 CA 1.308 47 residues pruned to eliminate duplicates Z: 33 18.429 1.902 0.551 0.518 0.969 0.688 CA 1.120 33 residues pruned to eliminate duplicates Z: 32 21.531 1.990 0.634 0.577 0.935 0.613 CA 1.180 32 residues pruned to eliminate duplicates Z: 24 14.211 1.952 0.563 0.532 0.913 0.696 CA 1.031 24 residues pruned to eliminate duplicates Z: 61 30.357 1.948 0.618 0.485 0.917 0.600 CA 1.377 61 residues pruned to eliminate duplicates Z: 16 11.897 1.851 0.701 0.540 0.800 0.467 CB 1.173 16 residues pruned to eliminate duplicates Z: 26 16.001 1.933 0.647 0.481 0.800 0.640 CA 1.281 26 residues pruned to eliminate duplicates Z: 25 17.562 1.957 0.546 0.483 0.917 0.500 CA 1.315 25 residues pruned to eliminate duplicates Z: 24 17.175 1.988 0.619 0.525 0.826 0.391 CA 1.313 24 residues pruned to eliminate duplicates Z: 10 5.308 1.797 0.834 0.377 0.667 0.333 CA 0.919 10 residues pruned to eliminate duplicates Z: 40 19.246 1.911 0.464 0.442 0.846 0.590 CA 1.382 40 residues pruned to eliminate duplicates Z: 36 20.058 1.949 0.448 0.466 0.886 0.514 CB 1.404 36 residues pruned to eliminate duplicates Z: 25 15.776 2.011 0.459 0.527 0.833 0.500 CA 1.283 25 residues pruned to eliminate duplicates Z: 31 22.469 1.983 0.570 0.467 0.933 0.700 CA 1.460 31 residues pruned to eliminate duplicates Z: 19 15.473 1.977 0.634 0.477 0.833 0.611 CA 1.387 19 residues pruned to eliminate duplicates Z: 28 20.733 1.994 0.626 0.502 0.926 0.593 CA 1.326 28 residues pruned to eliminate duplicates Z: 17 15.627 2.030 0.564 0.528 0.875 0.562 CA 1.368 17 residues pruned to eliminate duplicates Z: 60 27.405 1.898 0.617 0.471 0.881 0.508 CA 1.358 60 residues pruned to eliminate duplicates Z: 34 13.014 1.830 0.340 0.409 0.909 0.455 CA 1.118 34 residues pruned to eliminate duplicates Z: 16 20.052 2.042 0.672 0.561 0.933 0.600 CA 1.532 16 residues pruned to eliminate duplicates Z: 37 22.271 2.017 0.572 0.458 0.889 0.639 CA 1.375 37 residues pruned to eliminate duplicates Z: 25 17.095 2.001 0.551 0.505 0.875 0.583 CB 1.279 25 residues pruned to eliminate duplicates Z: 20 15.594 1.999 0.505 0.518 0.842 0.526 CA 1.387 20 residues pruned to eliminate duplicates Z: 39 23.148 1.958 0.653 0.477 0.868 0.737 CA 1.368 39 residues pruned to eliminate duplicates Z: 30 25.299 1.949 0.694 0.519 0.966 0.655 CA 1.446 30 residues pruned to eliminate duplicates Z: 38 24.467 1.986 0.696 0.476 0.919 0.568 CA 1.332 38 residues pruned to eliminate duplicates Z: 15 14.317 1.959 0.532 0.407 0.929 0.571 CB 1.513 15 residues pruned to eliminate duplicates Z: 40 19.432 1.893 0.552 0.428 0.923 0.564 CA 1.236 40 residues pruned to eliminate duplicates Z: 39 23.231 1.987 0.701 0.447 0.868 0.605 CB 1.356 39 residues pruned to eliminate duplicates Z: 30 21.637 2.022 0.605 0.500 0.897 0.655 CA 1.381 30 residues pruned to eliminate duplicates Z: 15 13.656 1.845 0.515 0.398 1.000 0.786 N 1.453 15 residues pruned to eliminate duplicates Z: 27 19.279 1.916 0.611 0.407 0.962 0.654 CB 1.404 27 residues pruned to eliminate duplicates Z: 18 12.321 1.864 0.526 0.313 0.941 0.471 CB 1.373 18 residues pruned to eliminate duplicates Z: 47 28.807 2.012 0.769 0.503 0.891 0.630 CA 1.334 47 residues pruned to eliminate duplicates Z: 38 22.843 1.977 0.603 0.435 0.919 0.595 CA 1.379 38 residues pruned to eliminate duplicates Z: 46 20.270 1.874 0.526 0.417 0.889 0.644 CA 1.297 46 residues pruned to eliminate duplicates Z: 30 23.329 2.044 0.623 0.458 0.897 0.690 CB 1.520 30 residues pruned to eliminate duplicates Z: 33 22.959 1.926 0.697 0.434 0.906 0.562 CA 1.468 33 residues pruned to eliminate duplicates Z: 45 27.903 1.999 0.596 0.493 0.977 0.568 CB 1.359 45 residues pruned to eliminate duplicates Z: 10 9.814 1.891 0.487 0.504 0.889 0.778 CA 1.304 10 residues pruned to eliminate duplicates Z: 45 26.507 2.021 0.556 0.469 0.932 0.477 CA 1.407 45 residues pruned to eliminate duplicates Z: 45 25.796 2.004 0.495 0.468 0.977 0.500 CA 1.373 45 residues pruned to eliminate duplicates Z: 46 25.281 2.021 0.505 0.481 0.933 0.533 CA 1.353 46 residues pruned to eliminate duplicates Z: 10 8.865 1.933 0.400 0.398 0.889 0.556 CB 1.368 11 residues pruned to eliminate duplicates Z: 6 3.013 1.341 1.102 0.274 0.800 0.800 CA 0.772 6 residues pruned to eliminate duplicates Z: 12 8.657 1.936 0.622 0.317 0.818 0.636 CA 1.245 12 residues pruned to eliminate duplicates Z: 36 24.210 1.906 0.654 0.558 0.943 0.571 CA 1.301 36 residues pruned to eliminate duplicates Z: 45 23.824 1.995 0.593 0.470 0.886 0.591 CA 1.315 45 residues pruned to eliminate duplicates Z: 45 24.220 1.996 0.496 0.459 0.955 0.568 CA 1.335 45 residues pruned to eliminate duplicates Z: 46 23.722 1.990 0.488 0.430 0.933 0.556 CB 1.376 46 residues pruned to eliminate duplicates Z: 33 26.935 2.064 0.505 0.605 1.000 0.625 CA 1.387 33 residues pruned to eliminate duplicates Z: 44 24.169 1.970 0.561 0.427 0.930 0.488 CB 1.389 44 residues pruned to eliminate duplicates Z: 35 25.083 2.045 0.598 0.529 0.941 0.500 CA 1.359 35 residues pruned to eliminate duplicates Z: 44 22.283 1.917 0.591 0.456 0.930 0.535 CB 1.253 44 residues pruned to eliminate duplicates Z: 34 27.570 2.035 0.661 0.594 0.939 0.545 CA 1.381 34 residues pruned to eliminate duplicates Z: 25 20.619 1.970 0.499 0.697 0.958 0.708 CA 1.243 25 residues pruned to eliminate duplicates Z: 36 24.660 2.010 0.641 0.506 0.943 0.571 CA 1.333 36 residues pruned to eliminate duplicates Z: 33 25.348 2.086 0.544 0.560 0.938 0.594 CA 1.400 33 residues pruned to eliminate duplicates Z: 34 24.460 2.043 0.526 0.572 0.970 0.515 CA 1.314 34 residues pruned to eliminate duplicates Z: 35 27.410 2.018 0.699 0.574 0.941 0.529 CA 1.358 35 residues pruned to eliminate duplicates Z: 49 24.987 1.949 0.649 0.463 0.896 0.583 CB 1.300 49 residues pruned to eliminate duplicates Z: 36 24.207 1.995 0.540 0.520 0.971 0.543 CA 1.344 36 residues pruned to eliminate duplicates Z: 40 24.488 1.957 0.607 0.496 0.974 0.462 CB 1.284 40 residues pruned to eliminate duplicates Z: 38 22.985 1.900 0.631 0.533 0.919 0.486 CA 1.284 38 residues pruned to eliminate duplicates Z: 49 25.886 1.981 0.586 0.427 0.958 0.646 CA 1.339 49 residues pruned to eliminate duplicates Z: 36 24.101 2.015 0.649 0.520 0.914 0.543 CB 1.314 36 residues pruned to eliminate duplicates Z: 35 23.953 2.021 0.537 0.540 0.941 0.588 CA 1.351 35 residues pruned to eliminate duplicates Z: 35 23.140 2.036 0.498 0.542 0.912 0.559 CB 1.370 35 residues pruned to eliminate duplicates Z: 33 21.730 2.057 0.385 0.560 0.906 0.500 CA 1.403 33 residues pruned to eliminate duplicates Z: 51 25.376 1.930 0.530 0.474 0.940 0.580 CB 1.327 51 residues pruned to eliminate duplicates Z: 19 11.059 2.002 0.337 0.371 0.889 0.556 CB 1.258 19 residues pruned to eliminate duplicates Z: 40 20.387 1.906 0.499 0.516 0.923 0.590 CB 1.219 40 residues pruned to eliminate duplicates Z: 36 25.213 1.999 0.612 0.522 0.971 0.543 CA 1.333 36 residues pruned to eliminate duplicates Z: 34 25.223 2.038 0.580 0.575 0.939 0.606 CB 1.350 34 residues pruned to eliminate duplicates Z: 39 23.344 1.962 0.531 0.537 0.974 0.579 CB 1.249 39 residues pruned to eliminate duplicates Z: 43 25.258 1.960 0.637 0.478 0.952 0.452 CA 1.305 43 residues pruned to eliminate duplicates Z: 36 19.860 1.988 0.472 0.509 0.943 0.571 CB 1.206 36 residues pruned to eliminate duplicates Z: 50 26.290 1.986 0.569 0.438 0.959 0.571 CB 1.340 50 residues pruned to eliminate duplicates Z: 54 31.704 1.944 0.661 0.572 0.943 0.566 CA 1.333 54 residues pruned to eliminate duplicates Z: 101 48.206 2.044 0.554 0.618 0.960 0.650 CA 1.413 98 residues pruned to eliminate duplicates Z: 14 19.698 1.983 0.811 0.807 0.923 0.462 CA 1.261 14 residues pruned to eliminate duplicates Z: 69 36.339 2.020 0.532 0.620 0.912 0.618 CB 1.395 69 residues pruned to eliminate duplicates Z: 100 45.412 2.059 0.477 0.610 0.960 0.646 CA 1.408 100 residues pruned to eliminate duplicates Z: 69 36.940 2.041 0.510 0.620 0.926 0.662 CA 1.400 69 residues pruned to eliminate duplicates Z: 30 17.755 1.882 0.575 0.573 0.862 0.655 CA 1.202 30 residues pruned to eliminate duplicates Z: 43 30.961 2.044 0.621 0.636 0.905 0.714 CB 1.403 43 residues pruned to eliminate duplicates Z: 45 25.666 2.040 0.438 0.578 0.909 0.523 CB 1.346 45 residues pruned to eliminate duplicates Z: 100 45.206 2.051 0.511 0.621 0.960 0.616 CA 1.364 101 residues pruned to eliminate duplicates Z: 12 17.561 2.021 0.766 0.851 0.909 0.455 CA 1.208 12 residues pruned to eliminate duplicates Z: 79 38.691 1.996 0.614 0.596 0.885 0.590 CB 1.402 79 residues pruned to eliminate duplicates Z: 55 30.725 2.020 0.560 0.541 0.926 0.593 CA 1.376 55 residues pruned to eliminate duplicates Z: 67 36.812 2.055 0.501 0.609 0.939 0.621 CA 1.410 67 residues pruned to eliminate duplicates Z: 65 35.722 2.056 0.493 0.618 0.938 0.609 CB 1.388 65 residues pruned to eliminate duplicates Z: 56 29.074 2.005 0.477 0.557 0.909 0.509 CA 1.378 56 residues pruned to eliminate duplicates Z: 31 20.243 1.896 0.588 0.552 0.900 0.533 CA 1.296 31 residues pruned to eliminate duplicates Z: 66 34.048 2.047 0.436 0.607 0.938 0.723 CA 1.383 65 residues pruned to eliminate duplicates Z: 8 5.038 1.618 0.167 0.435 1.000 0.571 CB 1.079 8 residues pruned to eliminate duplicates Z: 63 33.603 2.063 0.415 0.616 0.952 0.597 CA 1.376 63 residues pruned to eliminate duplicates Z: 69 33.910 2.010 0.443 0.603 0.941 0.676 CA 1.366 69 residues pruned to eliminate duplicates Z: 66 36.864 2.070 0.490 0.599 0.969 0.585 CA 1.392 66 residues pruned to eliminate duplicates Z: 103 39.484 2.003 0.476 0.581 0.922 0.608 CB 1.327 103 residues pruned to eliminate duplicates Z: 58 30.675 2.050 0.440 0.528 0.930 0.526 CA 1.440 58 residues pruned to eliminate duplicates Z: 67 30.903 2.023 0.324 0.598 0.939 0.591 CA 1.377 67 residues pruned to eliminate duplicates Z: 66 38.076 2.067 0.523 0.608 0.954 0.554 CA 1.420 66 residues pruned to eliminate duplicates Z: 43 26.832 2.031 0.497 0.609 0.905 0.595 CA 1.357 43 residues pruned to eliminate duplicates Z: 67 37.268 2.059 0.472 0.604 0.970 0.606 CA 1.414 67 residues pruned to eliminate duplicates Z: 64 35.295 2.070 0.516 0.600 0.921 0.667 CA 1.399 64 residues pruned to eliminate duplicates Z: 43 31.645 2.059 0.563 0.575 0.976 0.381 CA 1.445 43 residues pruned to eliminate duplicates Z: 66 42.852 2.072 0.632 0.621 0.969 0.662 CA 1.447 67 residues pruned to eliminate duplicates Z: 13 26.003 2.093 0.640 0.888 1.000 0.667 CA 1.574 13 residues pruned to eliminate duplicates Z: 68 34.041 2.044 0.437 0.572 0.940 0.597 CB 1.405 68 residues pruned to eliminate duplicates Z: 48 31.258 2.070 0.436 0.568 0.979 0.596 CB 1.467 48 residues pruned to eliminate duplicates Z: 69 36.422 2.018 0.483 0.602 0.956 0.647 CB 1.402 69 residues pruned to eliminate duplicates Z: 67 38.220 2.053 0.548 0.635 0.924 0.636 CA 1.410 67 residues pruned to eliminate duplicates Z: 66 40.347 2.074 0.540 0.621 0.969 0.662 CA 1.442 66 residues pruned to eliminate duplicates Z: 19 20.837 1.980 0.610 0.749 0.889 0.333 CB 1.388 19 residues pruned to eliminate duplicates Z: 27 21.176 2.020 0.438 0.611 0.923 0.654 CA 1.394 26 residues pruned to eliminate duplicates Z: 9 12.398 2.070 0.543 0.550 1.000 0.625 CA 1.307 9 residues pruned to eliminate duplicates Z: 64 35.864 2.065 0.456 0.586 0.937 0.587 CA 1.477 64 residues pruned to eliminate duplicates Z: 26 22.270 2.025 0.554 0.627 0.880 0.720 CA 1.427 26 residues pruned to eliminate duplicates Z: 55 32.975 2.049 0.595 0.572 0.907 0.574 CB 1.412 55 residues pruned to eliminate duplicates Z: 28 20.382 1.977 0.387 0.611 0.963 0.741 CA 1.337 28 residues pruned to eliminate duplicates Z: 26 19.085 1.982 0.366 0.600 0.960 0.680 CA 1.334 26 residues pruned to eliminate duplicates Z: 67 31.548 1.963 0.498 0.550 0.924 0.606 CA 1.361 67 residues pruned to eliminate duplicates Z: 98 42.357 2.027 0.521 0.591 0.918 0.598 CA 1.394 98 residues pruned to eliminate duplicates Z: 50 35.099 2.070 0.548 0.613 0.959 0.694 CB 1.466 50 residues pruned to eliminate duplicates Z: 69 36.480 2.018 0.514 0.602 0.941 0.544 CA 1.395 69 residues pruned to eliminate duplicates Z: 27 18.627 1.977 0.438 0.603 0.962 0.731 CA 1.212 27 residues pruned to eliminate duplicates Z: 28 17.253 1.998 0.217 0.584 0.889 0.704 CA 1.416 28 residues pruned to eliminate duplicates Z: 68 33.802 2.031 0.430 0.623 0.910 0.582 CA 1.390 68 residues pruned to eliminate duplicates Z: 67 37.524 2.066 0.496 0.613 0.939 0.576 CB 1.429 67 residues pruned to eliminate duplicates Z: 26 16.949 2.019 0.254 0.630 0.880 0.760 CA 1.346 26 residues pruned to eliminate duplicates Z: 13 17.565 2.040 0.572 0.908 0.917 0.667 CA 1.225 13 residues pruned to eliminate duplicates Z: 69 37.449 2.021 0.502 0.613 0.956 0.632 CB 1.406 69 residues pruned to eliminate duplicates Z: 64 33.117 2.053 0.514 0.599 0.857 0.492 CA 1.425 65 residues pruned to eliminate duplicates Z: 14 18.798 1.991 0.639 0.902 0.923 0.769 CA 1.234 13 residues pruned to eliminate duplicates Z: 9 11.839 1.882 0.569 0.693 1.000 0.875 CA 1.188 9 residues pruned to eliminate duplicates Z: 15 12.494 1.722 0.708 0.464 1.000 0.643 CA 1.178 18 residues pruned to eliminate duplicates Z: 9 9.503 1.741 0.646 0.850 1.000 1.000 CA 0.868 9 residues pruned to eliminate duplicates Z: 16 12.044 1.702 0.672 0.540 0.933 0.800 CA 1.126 15 residues pruned to eliminate duplicates Z: 8 10.509 1.822 0.784 0.856 1.000 0.857 CA 0.901 8 residues pruned to eliminate duplicates Z: 14 11.518 1.777 0.558 0.561 1.000 0.769 CA 1.087 14 residues pruned to eliminate duplicates Z: 15 13.636 1.770 0.649 0.526 1.000 0.857 CA 1.217 16 residues pruned to eliminate duplicates Z: 9 11.217 1.750 0.703 0.852 1.000 0.875 CA 0.984 9 residues pruned to eliminate duplicates Z: 15 13.902 1.785 0.572 0.589 1.000 0.786 CA 1.216 15 residues pruned to eliminate duplicates Z: 36 19.645 1.851 0.403 0.544 0.943 0.743 CA 1.299 41 residues pruned to eliminate duplicates Z: 14 13.464 1.946 0.349 0.629 0.923 0.615 CA 1.364 14 residues pruned to eliminate duplicates Z: 47 20.792 1.845 0.354 0.508 0.870 0.543 CB 1.400 47 residues pruned to eliminate duplicates Z: 26 20.014 1.912 0.422 0.607 0.960 0.640 CA 1.384 26 residues pruned to eliminate duplicates Z: 30 18.118 1.869 0.376 0.521 0.966 0.690 CA 1.327 30 residues pruned to eliminate duplicates Z: 23 21.157 1.943 0.561 0.612 0.909 0.636 CA 1.472 23 residues pruned to eliminate duplicates Z: 26 19.263 1.913 0.423 0.616 1.000 0.680 CA 1.267 26 residues pruned to eliminate duplicates Z: 19 16.613 2.020 0.341 0.532 0.944 0.778 CA 1.482 19 residues pruned to eliminate duplicates Z: 21 12.764 1.958 0.249 0.516 0.850 0.600 CA 1.351 21 residues pruned to eliminate duplicates Z: 21 14.711 1.948 0.330 0.551 0.850 0.700 CA 1.421 21 residues pruned to eliminate duplicates Z: 12 6.484 1.728 0.338 0.350 0.909 0.545 CB 1.095 12 residues pruned to eliminate duplicates Z: 46 21.551 1.852 0.355 0.545 0.889 0.644 CA 1.379 46 residues pruned to eliminate duplicates Z: 28 18.923 1.887 0.350 0.583 0.926 0.630 CA 1.427 28 residues pruned to eliminate duplicates Z: 6 4.377 1.596 0.392 0.447 0.800 0.600 N 1.163 7 residues pruned to eliminate duplicates Z: 6 3.372 1.505 0.274 0.499 0.800 0.400 CA 0.984 6 residues pruned to eliminate duplicates Z: 46 19.741 1.838 0.357 0.510 0.889 0.489 CA 1.315 46 residues pruned to eliminate duplicates Z: 12 4.470 1.551 0.115 0.357 0.818 0.364 CA 1.112 12 residues pruned to eliminate duplicates Z: 16 7.240 1.697 0.374 0.357 0.733 0.467 CB 1.276 16 residues pruned to eliminate duplicates Z: 22 11.004 1.803 0.248 0.505 0.857 0.476 CA 1.239 22 residues pruned to eliminate duplicates Z: 17 8.273 1.692 0.478 0.309 0.812 0.500 CB 1.258 17 residues pruned to eliminate duplicates Z: 24 11.986 1.784 0.362 0.467 0.783 0.522 CA 1.359 24 residues pruned to eliminate duplicates Z: 49 21.507 1.849 0.379 0.514 0.875 0.500 CB 1.373 49 residues pruned to eliminate duplicates Z: 23 11.747 1.842 0.172 0.481 0.818 0.591 CA 1.445 23 residues pruned to eliminate duplicates Z: 10 4.693 1.751 0.099 0.520 0.778 0.556 CB 1.025 10 residues pruned to eliminate duplicates Z: 9 7.380 1.800 0.125 0.655 0.875 0.500 CA 1.274 9 residues pruned to eliminate duplicates Z: 11 9.516 1.774 0.366 0.734 0.900 0.700 CA 1.119 11 residues pruned to eliminate duplicates Z: 25 15.069 1.811 0.419 0.601 0.833 0.667 CB 1.305 25 residues pruned to eliminate duplicates Z: 18 9.087 1.638 0.486 0.549 0.882 0.471 CB 0.978 18 residues pruned to eliminate duplicates Z: 21 10.544 1.668 0.564 0.545 0.800 0.500 CB 1.082 21 residues pruned to eliminate duplicates Z: 50 23.170 1.864 0.447 0.552 0.878 0.490 CB 1.329 50 residues pruned to eliminate duplicates Z: 34 14.162 1.748 0.361 0.513 0.879 0.545 CB 1.164 34 residues pruned to eliminate duplicates Z: 50 22.976 1.842 0.381 0.575 0.878 0.490 CB 1.367 50 residues pruned to eliminate duplicates Z: 37 14.365 1.723 0.406 0.456 0.833 0.472 CB 1.241 37 residues pruned to eliminate duplicates Z: 58 23.737 1.817 0.519 0.530 0.877 0.596 CB 1.261 58 residues pruned to eliminate duplicates Z: 16 8.234 1.484 0.599 0.426 0.867 0.467 CA 1.116 16 residues pruned to eliminate duplicates Z: 63 34.694 2.044 0.633 0.519 0.952 0.597 CB 1.362 63 residues pruned to eliminate duplicates Z: 15 8.197 1.754 0.477 0.320 0.857 0.643 CB 1.203 15 residues pruned to eliminate duplicates Z: 13 8.173 1.633 0.977 0.427 0.833 0.500 CA 0.947 13 residues pruned to eliminate duplicates Z: 31 20.332 1.911 0.497 0.496 0.933 0.633 CB 1.397 31 residues pruned to eliminate duplicates Z: 58 32.858 2.100 0.535 0.540 0.930 0.614 CB 1.397 58 residues pruned to eliminate duplicates Z: 36 21.138 1.992 0.504 0.473 0.857 0.571 CA 1.430 36 residues pruned to eliminate duplicates Z: 8 2.493 1.667 0.208 0.204 0.857 0.286 CA 0.775 8 residues pruned to eliminate duplicates Z: 15 9.574 1.765 0.765 0.352 0.929 0.643 CA 1.037 15 residues pruned to eliminate duplicates Z: 10 5.060 1.672 0.775 0.396 0.889 0.556 CA 0.713 10 residues pruned to eliminate duplicates Z: 24 23.083 2.007 0.586 0.679 0.913 0.609 CA 1.405 24 residues pruned to eliminate duplicates Z: 67 30.469 2.029 0.607 0.476 0.924 0.545 CB 1.275 70 residues pruned to eliminate duplicates Z: 16 24.973 2.150 0.640 0.847 1.000 0.667 CA 1.357 16 residues pruned to eliminate duplicates Z: 28 21.982 2.073 0.404 0.585 0.926 0.519 CA 1.448 28 residues pruned to eliminate duplicates Z: 54 31.958 2.138 0.470 0.563 0.925 0.660 CB 1.421 54 residues pruned to eliminate duplicates Z: 67 31.509 2.044 0.560 0.523 0.879 0.621 CB 1.353 67 residues pruned to eliminate duplicates Z: 51 32.622 2.090 0.507 0.555 0.980 0.580 CB 1.417 51 residues pruned to eliminate duplicates Z: 53 34.360 2.137 0.482 0.576 0.942 0.673 CB 1.484 53 residues pruned to eliminate duplicates Z: 26 16.613 1.976 0.249 0.572 0.920 0.520 CA 1.365 26 residues pruned to eliminate duplicates Z: 58 26.541 1.960 0.541 0.437 0.895 0.579 CA 1.388 58 residues pruned to eliminate duplicates Z: 29 24.264 2.045 0.514 0.561 0.964 0.500 CB 1.448 29 residues pruned to eliminate duplicates Z: 54 31.894 2.110 0.475 0.543 0.943 0.509 CB 1.430 54 residues pruned to eliminate duplicates Z: 36 29.625 2.081 0.648 0.502 1.000 0.543 CB 1.456 36 residues pruned to eliminate duplicates Z: 54 33.209 2.093 0.589 0.587 0.925 0.642 CB 1.365 54 residues pruned to eliminate duplicates Z: 68 33.820 2.048 0.561 0.502 0.940 0.567 CB 1.371 68 residues pruned to eliminate duplicates Z: 61 34.942 2.102 0.540 0.550 0.967 0.517 CB 1.373 61 residues pruned to eliminate duplicates Z: 26 21.902 2.024 0.448 0.581 0.880 0.560 CB 1.571 26 residues pruned to eliminate duplicates Z: 28 22.316 2.028 0.562 0.526 0.963 0.481 CB 1.372 28 residues pruned to eliminate duplicates Z: 57 35.328 2.099 0.560 0.564 0.964 0.518 CB 1.405 57 residues pruned to eliminate duplicates Z: 62 32.861 2.093 0.534 0.533 0.934 0.623 CB 1.358 62 residues pruned to eliminate duplicates Z: 53 37.836 2.138 0.650 0.585 0.942 0.654 CB 1.455 53 residues pruned to eliminate duplicates Z: 36 27.969 2.031 0.669 0.518 0.971 0.457 CB 1.409 36 residues pruned to eliminate duplicates Z: 62 36.276 2.049 0.708 0.515 0.918 0.574 CB 1.424 68 residues pruned to eliminate duplicates Z: 6 3.169 1.362 0.610 0.264 0.800 0.600 O 1.057 6 residues pruned to eliminate duplicates Z: 54 36.757 2.133 0.584 0.581 0.943 0.585 CB 1.466 54 residues pruned to eliminate duplicates Z: 58 35.250 2.090 0.584 0.542 0.965 0.579 CB 1.403 58 residues pruned to eliminate duplicates Z: 27 18.879 2.045 0.419 0.578 0.962 0.692 CB 1.230 27 residues pruned to eliminate duplicates Z: 54 35.243 2.116 0.564 0.587 0.943 0.660 CB 1.426 54 residues pruned to eliminate duplicates Z: 76 34.380 2.017 0.616 0.463 0.933 0.573 CB 1.355 76 residues pruned to eliminate duplicates Z: 69 31.821 2.029 0.545 0.513 0.912 0.544 CB 1.332 69 residues pruned to eliminate duplicates Z: 75 34.907 2.029 0.665 0.492 0.919 0.635 CB 1.318 75 residues pruned to eliminate duplicates Z: 53 40.895 2.145 0.643 0.605 0.981 0.635 CB 1.486 54 residues pruned to eliminate duplicates Z: 6 7.461 1.903 0.971 0.361 0.800 0.400 CB 1.291 6 residues pruned to eliminate duplicates Z: 94 49.087 2.091 0.665 0.551 0.946 0.634 CB 1.470 97 residues pruned to eliminate duplicates Z: 16 13.196 1.998 0.376 0.728 1.000 0.667 CA 1.009 16 residues pruned to eliminate duplicates Z: 11 10.546 1.900 0.598 0.370 0.900 0.300 CB 1.402 11 residues pruned to eliminate duplicates Z: 25 16.013 2.033 0.411 0.551 0.833 0.500 CB 1.300 25 residues pruned to eliminate duplicates Z: 23 16.973 2.094 0.297 0.575 0.909 0.682 CB 1.363 23 residues pruned to eliminate duplicates Z: 63 35.830 2.086 0.543 0.533 0.952 0.548 CA 1.438 63 residues pruned to eliminate duplicates Z: 56 35.619 2.131 0.530 0.562 0.945 0.636 CB 1.468 56 residues pruned to eliminate duplicates Z: 23 18.692 2.147 0.425 0.584 0.864 0.591 CB 1.391 23 residues pruned to eliminate duplicates Z: 20 23.340 2.154 0.568 0.694 0.947 0.579 CB 1.402 20 residues pruned to eliminate duplicates Z: 43 25.079 2.065 0.724 0.464 0.905 0.524 CB 1.247 43 residues pruned to eliminate duplicates Z: 72 33.379 2.039 0.526 0.482 0.930 0.521 CB 1.394 72 residues pruned to eliminate duplicates Z: 21 18.273 2.129 0.444 0.631 0.850 0.600 CB 1.382 21 residues pruned to eliminate duplicates Z: 60 35.950 2.117 0.627 0.562 0.898 0.542 CB 1.425 60 residues pruned to eliminate duplicates Z: 27 23.862 2.113 0.673 0.608 0.885 0.538 CB 1.350 27 residues pruned to eliminate duplicates Z: 60 34.959 2.119 0.608 0.533 0.915 0.475 CB 1.413 60 residues pruned to eliminate duplicates Z: 29 20.969 2.085 0.742 0.541 0.821 0.393 CB 1.276 29 residues pruned to eliminate duplicates Z: 12 7.121 1.713 0.755 0.447 0.818 0.636 CA 0.922 12 residues pruned to eliminate duplicates Z: 9 6.974 1.792 0.645 0.502 0.750 0.500 CA 1.113 9 residues pruned to eliminate duplicates Z: 10 5.822 1.769 0.831 0.486 0.556 0.556 CB 1.094 10 residues pruned to eliminate duplicates Z: 9 5.019 1.886 0.678 0.515 0.500 0.500 CB 1.104 9 residues pruned to eliminate duplicates Z: 10 6.593 1.788 0.613 0.521 0.778 0.556 CB 0.960 10 residues pruned to eliminate duplicates Z: 51 29.567 1.991 0.664 0.591 0.840 0.560 CB 1.377 51 residues pruned to eliminate duplicates Z: 105 45.227 2.011 0.730 0.477 0.923 0.548 CA 1.414 105 residues pruned to eliminate duplicates Z: 44 28.958 1.989 0.690 0.556 0.907 0.558 CA 1.372 44 residues pruned to eliminate duplicates Z: 26 21.538 1.880 0.667 0.568 0.920 0.520 CA 1.399 26 residues pruned to eliminate duplicates Z: 37 27.632 2.028 0.600 0.501 0.944 0.528 CA 1.501 37 residues pruned to eliminate duplicates Z: 21 26.212 1.978 0.757 0.681 1.000 0.700 CA 1.428 21 residues pruned to eliminate duplicates Z: 43 35.536 2.040 0.733 0.590 0.952 0.619 CA 1.494 39 residues pruned to eliminate duplicates Z: 16 24.269 2.033 0.494 0.846 1.000 0.533 CA 1.532 16 residues pruned to eliminate duplicates Z: 24 21.808 2.051 0.653 0.659 0.826 0.565 CA 1.401 24 residues pruned to eliminate duplicates Z: 25 24.771 2.048 0.691 0.617 0.875 0.500 CA 1.493 25 residues pruned to eliminate duplicates Z: 19 27.508 2.049 0.713 0.668 1.000 0.500 CA 1.582 19 residues pruned to eliminate duplicates Z: 41 27.371 1.991 0.587 0.563 0.900 0.400 CB 1.431 41 residues pruned to eliminate duplicates Z: 42 30.690 1.998 0.590 0.601 0.951 0.659 CB 1.440 42 residues pruned to eliminate duplicates Z: 49 35.016 2.037 0.751 0.577 0.896 0.521 CB 1.469 50 residues pruned to eliminate duplicates Z: 15 27.879 2.132 0.745 0.873 0.929 0.357 CA 1.571 15 residues pruned to eliminate duplicates Z: 53 28.222 1.965 0.766 0.524 0.808 0.481 CA 1.363 51 residues pruned to eliminate duplicates Z: 12 28.290 2.252 0.892 0.910 0.818 0.273 CB 1.734 12 residues pruned to eliminate duplicates Z: 42 32.293 2.043 0.737 0.615 0.878 0.415 CB 1.452 43 residues pruned to eliminate duplicates Z: 8 9.074 1.723 0.534 0.528 1.000 0.571 CA 1.262 8 residues pruned to eliminate duplicates Z: 62 32.879 1.983 0.773 0.494 0.836 0.443 CB 1.441 85 residues pruned to eliminate duplicates Z: 6 7.545 1.694 0.645 0.734 0.800 0.600 CA 1.226 6 residues pruned to eliminate duplicates Z: 28 16.372 1.864 0.801 0.374 0.889 0.630 CA 1.208 28 residues pruned to eliminate duplicates Z: 41 29.250 2.019 0.819 0.531 0.825 0.350 CA 1.481 41 residues pruned to eliminate duplicates Z: 41 31.005 2.005 0.873 0.510 0.875 0.475 CB 1.477 41 residues pruned to eliminate duplicates Z: 41 34.164 2.046 0.901 0.576 0.875 0.450 CB 1.475 41 residues pruned to eliminate duplicates Z: 37 18.095 1.944 0.639 0.375 0.861 0.528 CA 1.256 37 residues pruned to eliminate duplicates Z: 29 29.279 2.083 0.880 0.585 0.893 0.357 CB 1.458 29 residues pruned to eliminate duplicates Z: 39 29.334 2.050 0.848 0.597 0.842 0.395 CB 1.360 39 residues pruned to eliminate duplicates Z: 42 35.446 2.036 0.944 0.582 0.902 0.366 CB 1.433 42 residues pruned to eliminate duplicates Z: 27 19.399 1.982 0.599 0.498 0.923 0.538 CB 1.304 27 residues pruned to eliminate duplicates Z: 44 33.270 2.022 0.905 0.560 0.860 0.465 CB 1.444 44 residues pruned to eliminate duplicates Z: 38 21.810 1.935 0.777 0.534 0.757 0.432 CB 1.333 38 residues pruned to eliminate duplicates Z: 43 26.879 1.957 0.748 0.509 0.857 0.381 CB 1.402 43 residues pruned to eliminate duplicates Z: 19 13.188 1.821 0.560 0.646 0.889 0.556 CA 1.074 19 residues pruned to eliminate duplicates Z: 16 8.917 1.735 0.710 0.417 0.733 0.333 CB 1.155 16 residues pruned to eliminate duplicates Z: 43 33.730 2.024 0.924 0.581 0.881 0.548 CB 1.404 43 residues pruned to eliminate duplicates Z: 38 28.382 2.013 0.905 0.538 0.838 0.324 CB 1.400 38 residues pruned to eliminate duplicates Z: 11 10.034 1.879 0.714 0.645 0.800 0.300 CB 1.076 11 residues pruned to eliminate duplicates Z: 11 12.946 1.912 0.980 0.756 0.900 0.200 CB 0.956 11 residues pruned to eliminate duplicates Z: 51 27.885 1.958 0.686 0.502 0.840 0.420 CA 1.419 51 residues pruned to eliminate duplicates Z: 27 21.080 1.907 0.620 0.544 0.923 0.462 CB 1.388 27 residues pruned to eliminate duplicates Z: 52 34.657 1.991 0.874 0.572 0.843 0.431 CA 1.440 52 residues pruned to eliminate duplicates Z: 23 17.128 1.899 0.599 0.506 0.955 0.500 CB 1.252 23 residues pruned to eliminate duplicates Z: 7 9.310 1.868 0.754 0.432 1.000 0.500 CA 1.244 7 residues pruned to eliminate duplicates Z: 30 17.351 1.750 0.685 0.480 0.931 0.690 CA 1.197 28 residues pruned to eliminate duplicates Z: 6 6.765 1.868 0.547 0.357 1.000 0.800 CA 1.222 10 residues pruned to eliminate duplicates Z: 6 3.632 1.687 0.777 0.332 1.000 0.600 CB 0.651 6 residues pruned to eliminate duplicates Z: 15 11.686 1.869 0.590 0.339 0.929 0.714 CA 1.349 12 residues pruned to eliminate duplicates Z: 11 9.415 1.673 0.631 0.657 0.900 0.600 CA 1.048 Z: 12 7.515 1.742 0.253 0.585 0.909 0.727 CA 1.053 10 residues pruned to eliminate duplicates Z: 18 8.360 1.666 0.514 0.441 0.882 0.588 CA 0.968 13 residues pruned to eliminate duplicates Z: 6 4.990 1.757 0.790 0.862 1.000 0.800 CA 0.521 6 residues pruned to eliminate duplicates Z: 13 5.203 1.655 0.354 0.414 0.917 0.417 CA 0.800 13 residues pruned to eliminate duplicates Z: 14 7.479 1.714 0.422 0.548 1.000 0.692 CA 0.813 15 residues pruned to eliminate duplicates Z: 10 6.290 1.630 0.516 0.794 1.000 0.444 CA 0.655 17 residues pruned to eliminate duplicates Z: 45 21.026 1.870 0.659 0.515 0.909 0.545 CA 1.108 62 residues pruned to eliminate duplicates Z: 21 13.879 1.835 0.774 0.490 0.900 0.550 CA 1.070 Z: 6 6.231 1.729 0.509 0.441 1.000 0.600 CA 1.135 6 residues pruned to eliminate duplicates Z: 13 10.254 1.930 0.485 0.421 0.833 0.583 CB 1.345 13 residues pruned to eliminate duplicates Z: 6 3.862 1.600 0.340 0.483 1.000 1.000 CA 0.819 6 residues pruned to eliminate duplicates Z: 11 15.507 2.013 0.638 0.454 1.000 0.700 CA 1.558 12 residues pruned to eliminate duplicates Z: 13 18.255 1.920 0.871 0.840 1.000 0.500 CA 1.095 13 residues pruned to eliminate duplicates Z: 26 15.931 1.935 0.337 0.589 0.960 0.400 CA 1.178 26 residues pruned to eliminate duplicates Z: 67 28.891 1.850 0.549 0.566 0.879 0.545 CA 1.324 67 residues pruned to eliminate duplicates Z: 26 17.442 1.931 0.425 0.546 0.920 0.520 CA 1.317 26 residues pruned to eliminate duplicates Z: 43 20.744 1.869 0.351 0.549 0.905 0.524 CA 1.335 47 residues pruned to eliminate duplicates Z: 15 12.498 1.888 0.525 0.678 0.929 0.286 CA 1.061 15 residues pruned to eliminate duplicates Z: 13 11.970 1.776 0.665 0.486 0.917 0.333 CA 1.293 13 residues pruned to eliminate duplicates Z: 36 22.990 1.935 0.614 0.537 0.914 0.543 CB 1.313 36 residues pruned to eliminate duplicates Z: 31 13.375 1.848 0.270 0.464 0.867 0.467 CB 1.246 31 residues pruned to eliminate duplicates Z: 41 20.421 1.953 0.594 0.388 0.875 0.525 CB 1.335 41 residues pruned to eliminate duplicates Z: 8 7.860 1.839 0.605 0.484 0.857 0.714 CB 1.193 8 residues pruned to eliminate duplicates Z: 9 3.255 1.774 0.657 0.279 0.750 0.750 CB 0.670 9 residues pruned to eliminate duplicates Z: 16 9.597 1.766 0.399 0.438 0.867 0.800 CB 1.234 12 residues pruned to eliminate duplicates Z: 9 13.284 1.937 0.429 0.862 1.000 1.000 CB 1.246 9 residues pruned to eliminate duplicates Z: 35 17.424 1.777 0.612 0.410 0.882 0.559 CB 1.299 41 residues pruned to eliminate duplicates Z: 10 10.877 1.856 0.296 0.732 1.000 0.889 CA 1.222 10 residues pruned to eliminate duplicates Z: 10 10.732 1.894 0.379 0.697 0.889 0.889 CB 1.287 10 residues pruned to eliminate duplicates Z: 13 9.146 1.755 0.278 0.551 0.917 0.667 CA 1.222 13 residues pruned to eliminate duplicates Z: 17 10.772 1.743 0.541 0.406 0.812 0.500 CB 1.361 17 residues pruned to eliminate duplicates Z: 18 13.147 1.859 0.489 0.497 0.882 0.529 CB 1.309 18 residues pruned to eliminate duplicates Z: 21 12.113 1.705 0.459 0.455 0.850 0.500 CA 1.342 21 residues pruned to eliminate duplicates Z: 73 32.640 2.042 0.574 0.487 0.889 0.597 CB 1.364 73 residues pruned to eliminate duplicates Z: 16 7.723 1.673 0.764 0.226 0.800 0.400 N 1.163 16 residues pruned to eliminate duplicates Z: 21 14.317 1.879 0.621 0.359 0.900 0.400 CA 1.359 21 residues pruned to eliminate duplicates Z: 18 10.294 1.785 0.681 0.322 0.824 0.412 CB 1.229 18 residues pruned to eliminate duplicates Z: 21 16.167 1.811 0.693 0.390 1.000 0.500 CB 1.325 21 residues pruned to eliminate duplicates Z: 12 8.792 1.871 0.642 0.334 0.818 0.545 CA 1.264 12 residues pruned to eliminate duplicates Z: 25 16.207 1.926 0.568 0.345 0.958 0.458 CB 1.352 25 residues pruned to eliminate duplicates Z: 17 13.283 1.970 0.781 0.378 0.938 0.562 CB 1.149 17 residues pruned to eliminate duplicates Z: 22 12.474 1.813 0.756 0.385 0.857 0.381 CB 1.127 22 residues pruned to eliminate duplicates Z: 16 12.299 1.928 0.624 0.343 0.933 0.667 CB 1.288 16 residues pruned to eliminate duplicates Z: 48 22.103 2.051 0.539 0.420 0.787 0.447 CB 1.410 48 residues pruned to eliminate duplicates Z: 24 16.478 1.960 0.626 0.376 0.870 0.435 CB 1.416 24 residues pruned to eliminate duplicates Z: 29 15.069 1.832 0.611 0.326 0.929 0.393 CB 1.258 29 residues pruned to eliminate duplicates Z: 58 31.356 2.057 0.607 0.423 0.947 0.439 CB 1.436 58 residues pruned to eliminate duplicates Z: 40 22.120 2.045 0.514 0.441 0.897 0.538 CB 1.355 40 residues pruned to eliminate duplicates Z: 58 31.383 2.031 0.690 0.435 0.930 0.596 CB 1.393 58 residues pruned to eliminate duplicates Z: 58 33.645 2.059 0.778 0.428 0.895 0.491 CB 1.466 58 residues pruned to eliminate duplicates Z: 52 30.017 2.023 0.759 0.427 0.882 0.412 CB 1.444 52 residues pruned to eliminate duplicates Z: 49 27.953 2.016 0.616 0.454 0.917 0.542 CB 1.417 49 residues pruned to eliminate duplicates Z: 23 20.246 1.989 0.854 0.401 0.955 0.591 CB 1.361 23 residues pruned to eliminate duplicates Z: 25 14.332 1.901 0.567 0.356 0.875 0.375 CB 1.311 25 residues pruned to eliminate duplicates Z: 29 16.905 1.886 0.772 0.344 0.893 0.429 CB 1.269 29 residues pruned to eliminate duplicates Z: 23 24.816 2.062 0.611 0.642 0.909 0.591 CB 1.534 23 residues pruned to eliminate duplicates Z: 36 22.608 2.029 0.533 0.509 0.857 0.571 CA 1.420 36 residues pruned to eliminate duplicates Z: 69 32.755 2.009 0.548 0.488 0.956 0.544 CB 1.352 70 residues pruned to eliminate duplicates Z: 17 22.249 2.142 0.490 0.861 0.938 0.625 CA 1.366 17 residues pruned to eliminate duplicates Z: 46 27.032 2.014 0.833 0.457 0.867 0.578 CB 1.316 46 residues pruned to eliminate duplicates Z: 27 20.606 2.053 0.519 0.537 0.923 0.538 CB 1.354 27 residues pruned to eliminate duplicates Z: 41 25.593 2.041 0.576 0.446 0.925 0.600 CA 1.439 41 residues pruned to eliminate duplicates Z: 34 29.089 2.149 0.545 0.521 0.970 0.667 CA 1.540 34 residues pruned to eliminate duplicates Z: 35 25.392 2.091 0.479 0.513 0.941 0.618 CA 1.477 35 residues pruned to eliminate duplicates Z: 35 27.753 2.054 0.654 0.486 1.000 0.676 CA 1.422 35 residues pruned to eliminate duplicates Z: 58 29.792 2.039 0.687 0.428 0.877 0.579 CB 1.409 58 residues pruned to eliminate duplicates Z: 35 28.114 2.087 0.564 0.498 1.000 0.618 CB 1.480 35 residues pruned to eliminate duplicates Z: 31 25.480 2.054 0.644 0.498 0.967 0.600 CA 1.428 31 residues pruned to eliminate duplicates Z: 34 23.210 2.075 0.621 0.473 0.909 0.545 CA 1.358 34 residues pruned to eliminate duplicates Z: 25 20.556 2.032 0.527 0.557 0.958 0.625 CB 1.335 25 residues pruned to eliminate duplicates Z: 26 22.872 2.029 0.621 0.522 1.000 0.480 CB 1.361 26 residues pruned to eliminate duplicates Z: 53 29.739 2.016 0.726 0.431 0.904 0.519 CB 1.408 53 residues pruned to eliminate duplicates Z: 35 24.949 2.070 0.694 0.496 0.853 0.588 CB 1.436 35 residues pruned to eliminate duplicates Z: 35 30.691 2.088 0.654 0.532 0.971 0.500 CA 1.522 35 residues pruned to eliminate duplicates Z: 34 27.831 2.091 0.650 0.524 0.909 0.545 CA 1.508 34 residues pruned to eliminate duplicates Z: 32 25.497 2.040 0.721 0.531 0.871 0.419 CA 1.452 32 residues pruned to eliminate duplicates Z: 17 16.555 1.985 0.682 0.345 0.938 0.438 CA 1.564 17 residues pruned to eliminate duplicates Z: 30 27.296 2.062 0.641 0.538 0.931 0.586 CA 1.550 30 residues pruned to eliminate duplicates Z: 52 33.595 2.031 0.582 0.569 0.941 0.569 CA 1.456 52 residues pruned to eliminate duplicates Z: 34 32.403 2.132 0.659 0.538 1.000 0.576 CB 1.536 34 residues pruned to eliminate duplicates Z: 18 14.294 1.929 0.582 0.338 0.882 0.412 CA 1.537 18 residues pruned to eliminate duplicates Z: 34 32.963 2.108 0.735 0.543 1.000 0.485 CA 1.505 34 residues pruned to eliminate duplicates Z: 53 39.732 2.103 0.683 0.582 0.962 0.519 CB 1.497 53 residues pruned to eliminate duplicates Z: 80 33.699 1.993 0.659 0.459 0.937 0.494 CB 1.276 80 residues pruned to eliminate duplicates Z: 54 37.123 2.082 0.715 0.561 0.925 0.472 CB 1.456 54 residues pruned to eliminate duplicates Z: 40 26.997 2.007 0.697 0.513 0.949 0.513 CB 1.321 40 residues pruned to eliminate duplicates Z: 43 29.951 2.073 0.782 0.462 0.952 0.548 CB 1.366 43 residues pruned to eliminate duplicates Z: 67 33.788 2.052 0.593 0.501 0.924 0.621 CB 1.375 67 residues pruned to eliminate duplicates Z: 26 18.300 2.003 0.343 0.565 0.960 0.600 CB 1.330 26 residues pruned to eliminate duplicates Z: 19 20.455 2.032 0.603 0.630 1.000 0.611 CB 1.309 19 residues pruned to eliminate duplicates Z: 19 14.816 2.035 0.243 0.618 0.944 0.611 CA 1.308 19 residues pruned to eliminate duplicates Z: 55 33.669 2.048 0.656 0.532 0.926 0.593 CB 1.415 55 residues pruned to eliminate duplicates Z: 40 21.800 1.984 0.470 0.458 0.923 0.564 CB 1.354 40 residues pruned to eliminate duplicates Z: 18 25.193 2.140 0.539 0.774 1.000 0.647 CB 1.457 18 residues pruned to eliminate duplicates Z: 44 23.428 2.005 0.591 0.468 0.860 0.488 CB 1.345 44 residues pruned to eliminate duplicates Z: 85 39.425 2.049 0.695 0.477 0.917 0.548 CB 1.383 85 residues pruned to eliminate duplicates Z: 77 38.205 2.018 0.640 0.498 0.974 0.500 CB 1.362 77 residues pruned to eliminate duplicates Z: 60 34.541 2.084 0.572 0.544 0.966 0.627 CB 1.360 60 residues pruned to eliminate duplicates Z: 54 35.774 2.099 0.586 0.548 0.962 0.623 CB 1.465 54 residues pruned to eliminate duplicates Z: 19 22.914 2.066 0.591 0.687 1.000 0.667 CB 1.383 19 residues pruned to eliminate duplicates Z: 85 35.626 2.031 0.588 0.456 0.940 0.488 CB 1.341 85 residues pruned to eliminate duplicates Z: 16 15.947 2.051 0.572 0.612 0.800 0.533 CB 1.435 16 residues pruned to eliminate duplicates Z: 22 16.553 2.039 0.623 0.579 0.810 0.524 CB 1.249 22 residues pruned to eliminate duplicates Z: 26 16.861 1.945 0.634 0.461 0.880 0.320 CB 1.256 26 residues pruned to eliminate duplicates Z: 9 8.590 1.918 0.685 0.537 0.750 0.375 CB 1.209 9 residues pruned to eliminate duplicates Z: 8 8.887 1.938 0.695 0.509 0.857 0.286 CB 1.181 8 residues pruned to eliminate duplicates Z: 20 9.029 1.834 0.427 0.289 0.895 0.526 CB 1.122 20 residues pruned to eliminate duplicates Z: 8 8.821 1.830 0.640 0.500 1.000 0.286 CB 1.110 8 residues pruned to eliminate duplicates Z: 8 6.498 1.936 0.560 0.542 0.714 0.571 CB 1.093 8 residues pruned to eliminate duplicates Z: 9 4.420 1.841 0.461 0.457 0.750 0.375 CB 0.810 9 residues pruned to eliminate duplicates Z: 9 5.022 1.774 0.400 0.524 0.625 0.375 CB 1.117 9 residues pruned to eliminate duplicates Z: 55 31.074 2.000 0.732 0.598 0.889 0.611 CB 1.250 55 residues pruned to eliminate duplicates Z: 17 25.362 2.151 0.618 0.778 1.000 0.750 CA 1.425 17 residues pruned to eliminate duplicates Z: 18 26.606 2.124 0.704 0.710 0.941 0.647 CA 1.565 18 residues pruned to eliminate duplicates Z: 25 26.230 2.069 0.743 0.649 0.875 0.708 CA 1.476 25 residues pruned to eliminate duplicates Z: 34 30.027 2.040 0.805 0.576 0.970 0.545 CA 1.360 34 residues pruned to eliminate duplicates Z: 56 31.983 1.983 0.745 0.579 0.909 0.527 CB 1.271 56 residues pruned to eliminate duplicates Z: 36 29.186 2.022 0.673 0.576 0.943 0.600 CA 1.438 36 residues pruned to eliminate duplicates Z: 38 33.839 2.079 0.817 0.594 0.946 0.595 CA 1.424 38 residues pruned to eliminate duplicates Z: 37 28.410 2.010 0.723 0.530 0.917 0.500 CB 1.449 37 residues pruned to eliminate duplicates Z: 36 34.767 2.070 0.866 0.592 0.943 0.629 CA 1.477 36 residues pruned to eliminate duplicates Z: 18 28.477 2.075 0.910 0.714 0.941 0.353 CA 1.525 18 residues pruned to eliminate duplicates Z: 18 26.458 2.092 0.913 0.702 0.941 0.529 CA 1.417 18 residues pruned to eliminate duplicates Z: 50 35.053 2.032 0.704 0.604 0.918 0.327 CB 1.426 50 residues pruned to eliminate duplicates Z: 35 33.189 2.064 0.750 0.573 0.971 0.412 CA 1.513 35 residues pruned to eliminate duplicates Z: 33 31.108 2.051 0.833 0.563 0.969 0.500 CA 1.420 33 residues pruned to eliminate duplicates Z: 33 32.649 2.093 0.750 0.597 0.969 0.625 CA 1.483 33 residues pruned to eliminate duplicates Z: 36 31.865 2.052 0.714 0.531 0.971 0.486 CA 1.529 36 residues pruned to eliminate duplicates Z: 37 30.497 2.066 0.792 0.540 0.944 0.444 CB 1.398 37 residues pruned to eliminate duplicates Z: 42 28.467 2.034 0.602 0.521 0.927 0.585 CB 1.442 42 residues pruned to eliminate duplicates Z: 36 29.475 2.082 0.772 0.555 0.914 0.714 CA 1.400 36 residues pruned to eliminate duplicates Z: 24 16.945 1.969 0.692 0.526 0.913 0.435 CB 1.132 24 residues pruned to eliminate duplicates Z: 19 13.997 1.903 0.500 0.362 1.000 0.556 CB 1.341 19 residues pruned to eliminate duplicates Z: 33 31.714 2.050 0.762 0.560 1.000 0.625 CA 1.463 33 residues pruned to eliminate duplicates Z: 32 16.408 1.901 0.664 0.497 0.806 0.452 CB 1.159 32 residues pruned to eliminate duplicates Z: 50 34.235 2.018 0.749 0.599 0.939 0.408 CA 1.343 50 residues pruned to eliminate duplicates Z: 29 28.585 2.092 0.676 0.623 0.964 0.429 CA 1.423 29 residues pruned to eliminate duplicates Z: 37 26.463 1.971 0.594 0.516 0.944 0.444 CA 1.463 37 residues pruned to eliminate duplicates Z: 30 16.545 1.919 0.423 0.468 0.966 0.552 CB 1.204 30 residues pruned to eliminate duplicates Z: 34 8.957 1.760 0.258 0.316 0.697 0.364 CB 1.238 34 residues pruned to eliminate duplicates Z: 43 22.279 1.970 0.496 0.488 0.857 0.357 CA 1.379 43 residues pruned to eliminate duplicates Z: 22 7.677 1.767 0.362 0.346 0.714 0.286 CB 1.151 22 residues pruned to eliminate duplicates Z: 16 6.368 1.697 0.522 0.266 0.667 0.267 CA 1.246 16 residues pruned to eliminate duplicates Z: 14 6.301 1.789 0.344 0.342 0.692 0.385 CB 1.246 14 residues pruned to eliminate duplicates Z: 75 29.272 1.880 0.448 0.533 0.892 0.527 CA 1.356 75 residues pruned to eliminate duplicates Z: 18 7.680 1.728 0.519 0.293 0.706 0.235 CA 1.267 18 residues pruned to eliminate duplicates Z: 11 4.639 1.632 0.416 0.304 0.800 0.200 CA 0.987 11 residues pruned to eliminate duplicates Z: 10 6.071 1.677 0.656 0.326 0.778 0.222 CA 1.135 10 residues pruned to eliminate duplicates Z: 15 8.897 1.801 0.496 0.340 0.786 0.286 CB 1.337 20 residues pruned to eliminate duplicates Z: 6 3.238 1.725 0.251 0.242 0.800 0.600 CA 1.130 6 residues pruned to eliminate duplicates Z: 27 13.136 1.763 0.436 0.477 0.808 0.462 CB 1.289 27 residues pruned to eliminate duplicates Z: 15 10.327 1.771 0.346 0.694 0.857 0.643 CB 1.131 15 residues pruned to eliminate duplicates Z: 17 10.794 1.795 0.528 0.634 0.750 0.438 CB 1.158 17 residues pruned to eliminate duplicates Z: 67 28.576 1.865 0.493 0.588 0.879 0.606 CA 1.322 67 residues pruned to eliminate duplicates Z: 13 9.183 1.802 0.544 0.705 0.833 0.500 CB 0.949 13 residues pruned to eliminate duplicates Z: 61 34.163 1.892 0.601 0.644 0.950 0.667 CB 1.340 61 residues pruned to eliminate duplicates Z: 13 9.750 1.741 0.493 0.743 0.917 0.500 CB 0.951 13 residues pruned to eliminate duplicates Z: 42 23.972 1.802 0.606 0.581 0.927 0.561 CB 1.292 42 residues pruned to eliminate duplicates Z: 48 19.667 1.768 0.660 0.453 0.830 0.574 CB 1.236 43 residues pruned to eliminate duplicates Z: 12 16.346 1.786 0.893 0.858 0.909 0.545 CB 1.180 12 residues pruned to eliminate duplicates Z: 22 8.405 1.712 0.438 0.555 0.667 0.333 CB 1.060 22 residues pruned to eliminate duplicates Z: 26 12.739 1.760 0.648 0.528 0.720 0.240 CB 1.186 26 residues pruned to eliminate duplicates Z: 74 28.860 1.861 0.529 0.553 0.863 0.562 CB 1.307 74 residues pruned to eliminate duplicates Z: 82 32.423 1.881 0.538 0.569 0.852 0.654 CB 1.367 82 residues pruned to eliminate duplicates Z: 41 24.924 1.833 0.591 0.579 0.925 0.450 CB 1.353 41 residues pruned to eliminate duplicates Z: 59 22.995 1.771 0.511 0.514 0.845 0.414 CB 1.317 59 residues pruned to eliminate duplicates Z: 40 20.952 1.822 0.598 0.590 0.846 0.564 CB 1.249 40 residues pruned to eliminate duplicates Z: 26 18.551 1.795 0.607 0.555 0.880 0.640 CA 1.386 26 residues pruned to eliminate duplicates Z: 53 24.518 1.786 0.665 0.530 0.865 0.442 CB 1.283 53 residues pruned to eliminate duplicates Z: 53 22.146 1.773 0.548 0.542 0.846 0.462 CA 1.268 53 residues pruned to eliminate duplicates Z: 60 33.355 1.891 0.620 0.599 0.949 0.559 CB 1.359 60 residues pruned to eliminate duplicates Z: 26 18.488 1.852 0.641 0.521 0.840 0.640 CA 1.418 26 residues pruned to eliminate duplicates Z: 53 24.517 1.801 0.661 0.528 0.827 0.500 CB 1.337 53 residues pruned to eliminate duplicates Z: 36 22.447 1.871 0.659 0.578 0.829 0.543 CB 1.368 36 residues pruned to eliminate duplicates Z: 34 21.687 1.772 0.591 0.563 0.879 0.576 CB 1.434 34 residues pruned to eliminate duplicates Z: 66 23.337 1.837 0.458 0.506 0.831 0.462 CA 1.293 66 residues pruned to eliminate duplicates Z: 55 23.803 1.812 0.670 0.500 0.833 0.481 CB 1.286 55 residues pruned to eliminate duplicates Z: 48 25.494 1.872 0.540 0.562 0.872 0.681 CB 1.392 48 residues pruned to eliminate duplicates Z: 29 19.776 1.850 0.560 0.531 0.857 0.643 CA 1.466 29 residues pruned to eliminate duplicates Z: 50 27.613 1.858 0.550 0.564 0.939 0.633 CA 1.370 50 residues pruned to eliminate duplicates Z: 53 25.725 1.826 0.634 0.532 0.865 0.481 CB 1.339 53 residues pruned to eliminate duplicates Z: 50 26.068 1.866 0.551 0.575 0.918 0.653 CA 1.303 50 residues pruned to eliminate duplicates Z: 30 22.668 1.784 0.823 0.506 0.897 0.621 CA 1.436 30 residues pruned to eliminate duplicates Z: 37 25.225 1.853 0.730 0.628 0.861 0.528 CB 1.351 37 residues pruned to eliminate duplicates Z: 62 31.015 1.857 0.571 0.607 0.934 0.525 CB 1.316 62 residues pruned to eliminate duplicates Z: 33 19.280 1.749 0.725 0.456 0.844 0.438 CB 1.400 33 residues pruned to eliminate duplicates Z: 60 29.997 1.880 0.541 0.603 0.881 0.627 CB 1.388 60 residues pruned to eliminate duplicates Z: 51 28.169 1.856 0.549 0.602 0.900 0.640 CB 1.397 51 residues pruned to eliminate duplicates Z: 37 21.652 1.816 0.646 0.504 0.889 0.472 CA 1.353 37 residues pruned to eliminate duplicates Z: 63 28.485 1.820 0.567 0.589 0.903 0.548 CB 1.290 63 residues pruned to eliminate duplicates Z: 23 16.596 1.951 0.337 0.620 0.909 0.682 CA 1.332 23 residues pruned to eliminate duplicates Z: 15 9.299 1.774 0.465 0.389 0.929 0.643 CA 1.158 15 residues pruned to eliminate duplicates Z: 15 9.230 1.808 0.380 0.406 0.786 0.429 CB 1.388 15 residues pruned to eliminate duplicates Z: 27 17.023 1.877 0.295 0.565 0.962 0.500 CB 1.341 27 residues pruned to eliminate duplicates Z: 59 27.432 1.851 0.547 0.560 0.931 0.552 CB 1.275 59 residues pruned to eliminate duplicates Z: 27 17.028 1.841 0.320 0.564 1.000 0.538 CB 1.292 27 residues pruned to eliminate duplicates Z: 22 15.905 1.979 0.316 0.650 1.000 0.714 CA 1.159 22 residues pruned to eliminate duplicates Z: 52 22.565 1.850 0.450 0.518 0.941 0.510 CA 1.230 52 residues pruned to eliminate duplicates Z: 37 22.284 1.837 0.563 0.529 0.889 0.611 CA 1.414 37 residues pruned to eliminate duplicates Z: 24 14.324 1.930 0.229 0.606 0.913 0.565 CA 1.248 24 residues pruned to eliminate duplicates Z: 28 15.221 1.890 0.293 0.537 0.926 0.556 CA 1.247 28 residues pruned to eliminate duplicates Z: 33 17.142 1.830 0.310 0.510 0.938 0.531 CB 1.335 33 residues pruned to eliminate duplicates Z: 26 17.292 1.871 0.471 0.555 0.920 0.600 CB 1.294 26 residues pruned to eliminate duplicates Z: 11 3.926 1.733 0.082 0.241 0.700 0.300 CB 1.277 11 residues pruned to eliminate duplicates Z: 10 7.685 1.902 0.368 0.419 0.778 0.667 CB 1.377 10 residues pruned to eliminate duplicates Z: 14 9.045 1.725 0.616 0.324 0.769 0.385 CA 1.419 14 residues pruned to eliminate duplicates Z: 11 9.727 1.865 0.353 0.499 1.000 0.500 CB 1.220 11 residues pruned to eliminate duplicates Z: 9 10.585 1.927 0.520 0.412 1.000 0.750 CA 1.400 9 residues pruned to eliminate duplicates Z: 9 10.000 1.965 0.400 0.403 1.000 0.625 CA 1.423 9 residues pruned to eliminate duplicates Z: 38 22.375 1.928 0.595 0.463 0.919 0.622 CB 1.351 38 residues pruned to eliminate duplicates Z: 25 19.077 1.929 0.537 0.534 0.875 0.542 CB 1.452 25 residues pruned to eliminate duplicates Z: 41 21.380 1.884 0.564 0.418 0.875 0.525 CB 1.429 41 residues pruned to eliminate duplicates Z: 27 22.918 1.997 0.590 0.475 0.962 0.692 CA 1.510 30 residues pruned to eliminate duplicates Z: 17 15.699 1.759 0.476 0.712 1.000 0.688 CA 1.248 17 residues pruned to eliminate duplicates Z: 24 16.095 1.918 0.612 0.527 0.826 0.609 CB 1.280 24 residues pruned to eliminate duplicates Z: 29 21.299 1.975 0.477 0.492 0.929 0.571 CB 1.498 29 residues pruned to eliminate duplicates Z: 22 16.771 1.939 0.380 0.612 0.857 0.667 CB 1.434 22 residues pruned to eliminate duplicates Z: 38 21.408 1.926 0.483 0.426 0.919 0.486 CB 1.447 38 residues pruned to eliminate duplicates Z: 34 21.858 1.930 0.533 0.447 0.909 0.636 CB 1.494 34 residues pruned to eliminate duplicates Z: 33 20.639 1.914 0.549 0.440 0.938 0.531 CA 1.396 32 residues pruned to eliminate duplicates Z: 16 16.295 1.672 0.600 0.846 0.933 0.733 CA 1.252 16 residues pruned to eliminate duplicates Z: 26 22.494 1.960 0.608 0.515 0.960 0.560 CA 1.465 26 residues pruned to eliminate duplicates Z: 32 21.407 1.982 0.438 0.465 0.935 0.645 CB 1.495 33 residues pruned to eliminate duplicates Z: 7 4.536 1.573 0.671 0.361 0.833 0.833 CA 0.981 7 residues pruned to eliminate duplicates Z: 24 18.802 1.922 0.599 0.459 0.913 0.565 CB 1.457 24 residues pruned to eliminate duplicates Z: 14 13.434 1.890 0.689 0.358 0.923 0.385 CB 1.475 12 residues pruned to eliminate duplicates Z: 6 5.165 1.660 0.817 0.400 0.800 0.600 CA 1.063 6 residues pruned to eliminate duplicates Z: 33 20.734 1.872 0.527 0.450 0.938 0.594 CA 1.439 33 residues pruned to eliminate duplicates Z: 15 10.480 1.810 0.519 0.295 0.929 0.357 CB 1.380 15 residues pruned to eliminate duplicates Z: 12 10.611 1.758 0.493 0.752 0.909 0.545 CA 1.071 16 residues pruned to eliminate duplicates Z: 8 6.504 1.647 0.501 0.873 0.857 0.571 CA 0.844 9 residues pruned to eliminate duplicates Z: 9 8.776 1.656 0.576 0.839 0.875 0.625 CA 1.015 9 residues pruned to eliminate duplicates Z: 7 9.482 1.940 0.812 0.856 0.667 0.333 CA 1.218 7 residues pruned to eliminate duplicates Z: 9 9.920 1.759 0.772 0.893 1.000 0.500 CA 0.807 8 residues pruned to eliminate duplicates Z: 7 6.577 1.846 0.488 0.803 0.833 0.333 CA 0.900 7 residues pruned to eliminate duplicates Z: 14 8.895 1.687 0.578 0.696 0.846 0.462 CA 0.916 14 residues pruned to eliminate duplicates Z: 13 17.816 1.924 0.800 0.834 0.917 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 42 29.499 2.029 0.525 0.672 0.927 0.610 CB 1.371 42 residues pruned to eliminate duplicates Z: 14 19.864 1.872 0.769 0.802 1.000 0.385 CB 1.278 14 residues pruned to eliminate duplicates Z: 39 31.235 2.036 0.542 0.655 1.000 0.684 CB 1.397 39 residues pruned to eliminate duplicates Z: 42 31.299 2.053 0.715 0.624 0.927 0.610 CB 1.332 42 residues pruned to eliminate duplicates Z: 37 32.759 2.078 0.675 0.658 0.972 0.611 CA 1.394 37 residues pruned to eliminate duplicates Z: 42 32.839 2.055 0.562 0.649 0.976 0.634 CB 1.425 42 residues pruned to eliminate duplicates Z: 29 21.318 1.926 0.658 0.631 0.857 0.536 CB 1.303 29 residues pruned to eliminate duplicates Z: 38 36.807 2.093 0.696 0.690 1.000 0.595 CB 1.433 38 residues pruned to eliminate duplicates Z: 42 33.641 2.032 0.649 0.648 0.976 0.732 CB 1.401 42 residues pruned to eliminate duplicates Z: 69 37.551 2.019 0.518 0.591 0.956 0.647 CB 1.425 69 residues pruned to eliminate duplicates Z: 45 28.641 2.000 0.494 0.607 0.909 0.591 CA 1.436 45 residues pruned to eliminate duplicates Z: 20 29.746 2.090 0.822 0.769 1.000 0.684 CA 1.413 25 residues pruned to eliminate duplicates Z: 14 24.265 2.061 0.889 0.748 1.000 0.692 CA 1.385 14 residues pruned to eliminate duplicates Z: 26 24.406 2.130 0.347 0.592 1.000 0.720 CB 1.557 26 residues pruned to eliminate duplicates Z: 37 35.205 2.106 0.595 0.672 1.000 0.778 CA 1.490 37 residues pruned to eliminate duplicates Z: 37 32.369 2.078 0.670 0.661 0.972 0.694 CB 1.378 37 residues pruned to eliminate duplicates Z: 47 30.749 1.989 0.675 0.575 0.913 0.630 CA 1.386 47 residues pruned to eliminate duplicates Z: 38 33.620 2.100 0.631 0.649 0.946 0.622 CA 1.485 38 residues pruned to eliminate duplicates Z: 43 31.479 2.035 0.545 0.657 0.952 0.714 CB 1.401 43 residues pruned to eliminate duplicates Z: 43 30.339 2.018 0.589 0.607 0.929 0.643 CA 1.420 43 residues pruned to eliminate duplicates Z: 37 36.977 2.127 0.684 0.684 0.972 0.694 CA 1.494 37 residues pruned to eliminate duplicates Z: 6 4.104 1.898 0.552 0.163 0.800 0.200 CA 1.175 6 residues pruned to eliminate duplicates Z: 62 39.843 2.081 0.548 0.624 0.967 0.656 CB 1.457 62 residues pruned to eliminate duplicates Z: 37 35.575 2.095 0.705 0.673 1.000 0.750 CB 1.414 37 residues pruned to eliminate duplicates Z: 48 30.810 1.980 0.710 0.608 0.872 0.617 CB 1.374 48 residues pruned to eliminate duplicates Z: 43 30.654 2.007 0.616 0.607 0.952 0.619 CB 1.383 43 residues pruned to eliminate duplicates Z: 42 32.455 2.057 0.641 0.655 0.927 0.707 CB 1.403 42 residues pruned to eliminate duplicates Z: 42 33.823 2.071 0.637 0.642 0.927 0.659 CB 1.472 36 residues pruned to eliminate duplicates Z: 13 20.509 2.088 0.459 0.847 1.000 0.750 CB 1.443 13 residues pruned to eliminate duplicates Z: 45 34.317 2.021 0.675 0.640 0.977 0.614 CB 1.371 45 residues pruned to eliminate duplicates Z: 74 37.390 1.989 0.638 0.579 0.904 0.575 CB 1.376 74 residues pruned to eliminate duplicates Z: 42 30.524 2.038 0.684 0.638 0.902 0.610 CB 1.352 42 residues pruned to eliminate duplicates Z: 66 38.093 2.036 0.512 0.584 0.969 0.662 CA 1.460 66 residues pruned to eliminate duplicates Z: 60 33.751 2.020 0.575 0.547 0.898 0.542 CB 1.468 60 residues pruned to eliminate duplicates Z: 62 40.086 2.061 0.603 0.607 0.951 0.574 CA 1.477 62 residues pruned to eliminate duplicates Z: 66 36.716 2.037 0.570 0.599 0.923 0.631 CA 1.403 66 residues pruned to eliminate duplicates Z: 24 24.885 2.130 0.457 0.626 0.957 0.739 CA 1.553 24 residues pruned to eliminate duplicates Z: 25 20.298 2.083 0.351 0.622 0.917 0.833 CA 1.432 25 residues pruned to eliminate duplicates Z: 49 37.365 2.078 0.696 0.558 0.958 0.604 CB 1.509 49 residues pruned to eliminate duplicates Z: 67 36.759 2.030 0.581 0.604 0.924 0.576 CA 1.382 66 residues pruned to eliminate duplicates Z: 7 6.007 1.879 0.729 0.325 0.833 0.500 CA 1.098 7 residues pruned to eliminate duplicates Z: 68 40.595 2.030 0.632 0.589 0.955 0.672 CB 1.440 68 residues pruned to eliminate duplicates Z: 24 25.923 2.109 0.499 0.617 1.000 0.739 CA 1.531 24 residues pruned to eliminate duplicates Z: 25 22.617 2.057 0.487 0.590 0.958 0.833 CA 1.445 25 residues pruned to eliminate duplicates Z: 60 40.418 2.092 0.593 0.610 0.949 0.644 CA 1.499 60 residues pruned to eliminate duplicates Z: 61 37.816 2.067 0.599 0.596 0.933 0.633 CB 1.444 61 residues pruned to eliminate duplicates Z: 65 33.805 2.014 0.448 0.599 0.922 0.688 CA 1.429 65 residues pruned to eliminate duplicates Z: 26 20.889 2.022 0.400 0.575 0.920 0.640 CA 1.492 26 residues pruned to eliminate duplicates Z: 59 42.837 2.099 0.704 0.616 0.966 0.621 CA 1.459 59 residues pruned to eliminate duplicates Z: 26 21.262 2.056 0.456 0.561 0.920 0.560 CB 1.456 26 residues pruned to eliminate duplicates Z: 13 18.775 1.943 0.712 0.832 0.917 0.667 CA 1.334 13 residues pruned to eliminate duplicates Z: 15 20.326 2.033 0.663 0.770 0.929 0.500 CA 1.363 15 residues pruned to eliminate duplicates Z: 27 23.514 2.008 0.641 0.587 0.885 0.577 CA 1.455 27 residues pruned to eliminate duplicates Z: 24 24.735 2.137 0.461 0.645 0.957 0.696 CA 1.509 24 residues pruned to eliminate duplicates Z: 26 18.686 2.021 0.413 0.570 0.880 0.440 CB 1.390 26 residues pruned to eliminate duplicates Z: 23 18.650 2.041 0.376 0.540 0.955 0.636 CB 1.425 23 residues pruned to eliminate duplicates Z: 24 17.733 2.004 0.320 0.552 0.913 0.652 CB 1.455 24 residues pruned to eliminate duplicates Z: 29 15.210 1.740 0.562 0.507 0.857 0.536 CA 1.225 30 residues pruned to eliminate duplicates Z: 7 6.694 1.854 0.558 0.517 1.000 0.333 CA 0.931 7 residues pruned to eliminate duplicates Z: 14 7.324 1.652 0.367 0.480 0.923 0.538 CA 0.994 14 residues pruned to eliminate duplicates Z: 16 9.149 1.638 0.595 0.479 0.867 0.800 CA 1.065 16 residues pruned to eliminate duplicates Z: 13 8.006 1.628 0.552 0.469 0.917 0.583 CA 1.029 13 residues pruned to eliminate duplicates Z: 18 7.977 1.569 0.431 0.416 0.941 0.529 CA 1.000 18 residues pruned to eliminate duplicates Z: 23 9.998 1.659 0.317 0.404 1.000 0.545 CA 1.079 27 residues pruned to eliminate duplicates Z: 9 5.718 1.391 0.726 0.578 0.875 0.125 CB 0.893 9 residues pruned to eliminate duplicates Z: 14 8.873 1.681 0.510 0.537 0.923 0.692 CA 1.013 14 residues pruned to eliminate duplicates Z: 16 9.164 1.638 0.699 0.536 0.800 0.600 CA 1.027 16 residues pruned to eliminate duplicates Z: 15 8.152 1.645 0.605 0.494 0.857 0.643 CA 0.969 15 residues pruned to eliminate duplicates Z: 9 7.288 1.783 0.395 0.321 0.875 0.500 CA 1.441 28 residues pruned to eliminate duplicates Z: 6 2.532 1.441 0.213 0.403 1.000 0.600 CA 0.717 6 residues pruned to eliminate duplicates Z: 53 25.419 2.017 0.487 0.427 0.904 0.538 CB 1.403 60 residues pruned to eliminate duplicates Z: 29 18.421 1.933 0.656 0.533 0.857 0.464 CB 1.228 29 residues pruned to eliminate duplicates Z: 23 19.971 2.008 0.674 0.571 0.909 0.455 CB 1.301 23 residues pruned to eliminate duplicates Z: 49 22.069 1.975 0.475 0.398 0.896 0.500 CB 1.358 49 residues pruned to eliminate duplicates Z: 63 28.431 1.940 0.540 0.443 0.952 0.565 CB 1.347 63 residues pruned to eliminate duplicates Z: 20 20.737 2.037 0.785 0.673 0.895 0.526 CB 1.247 20 residues pruned to eliminate duplicates Z: 49 25.310 2.033 0.538 0.426 0.938 0.542 CB 1.346 49 residues pruned to eliminate duplicates Z: 19 23.261 2.064 0.706 0.721 0.944 0.611 CA 1.350 19 residues pruned to eliminate duplicates Z: 30 20.736 1.946 0.587 0.517 0.966 0.483 CB 1.270 30 residues pruned to eliminate duplicates Z: 44 26.981 2.071 0.489 0.486 0.953 0.628 CB 1.419 44 residues pruned to eliminate duplicates Z: 37 28.587 2.085 0.505 0.541 1.000 0.500 CB 1.458 37 residues pruned to eliminate duplicates Z: 43 31.718 2.084 0.564 0.516 1.000 0.548 CB 1.478 43 residues pruned to eliminate duplicates Z: 46 23.721 2.025 0.559 0.408 0.911 0.444 CB 1.354 46 residues pruned to eliminate duplicates Z: 17 15.294 1.949 0.344 0.612 0.938 0.562 CB 1.401 17 residues pruned to eliminate duplicates Z: 20 23.757 1.990 0.748 0.692 0.947 0.684 CA 1.387 20 residues pruned to eliminate duplicates Z: 19 24.941 2.041 0.764 0.739 0.944 0.556 CA 1.396 19 residues pruned to eliminate duplicates Z: 43 29.494 2.088 0.517 0.505 0.952 0.667 CB 1.501 43 residues pruned to eliminate duplicates Z: 12 25.069 2.110 0.926 0.845 1.000 0.909 CB 1.384 12 residues pruned to eliminate duplicates Z: 20 21.684 2.003 0.845 0.687 0.895 0.579 CB 1.268 20 residues pruned to eliminate duplicates Z: 20 17.254 2.021 0.462 0.529 0.947 0.526 CA 1.375 20 residues pruned to eliminate duplicates Z: 61 33.439 2.046 0.509 0.529 0.933 0.567 CB 1.456 61 residues pruned to eliminate duplicates Z: 23 21.302 2.051 0.520 0.611 0.955 0.727 CA 1.374 23 residues pruned to eliminate duplicates Z: 20 15.713 1.953 0.235 0.642 1.000 0.632 CA 1.309 20 residues pruned to eliminate duplicates Z: 53 26.912 1.987 0.484 0.455 0.942 0.577 CB 1.406 53 residues pruned to eliminate duplicates Z: 38 29.620 2.092 0.646 0.528 0.946 0.622 CB 1.454 38 residues pruned to eliminate duplicates Z: 44 30.797 2.101 0.604 0.508 0.930 0.535 CB 1.486 44 residues pruned to eliminate duplicates Z: 28 25.493 2.080 0.694 0.621 0.926 0.593 CA 1.342 28 residues pruned to eliminate duplicates Z: 41 29.365 2.004 0.685 0.474 0.975 0.475 CB 1.448 41 residues pruned to eliminate duplicates Z: 57 37.923 2.079 0.595 0.569 0.964 0.661 CA 1.483 57 residues pruned to eliminate duplicates Z: 60 26.881 1.918 0.486 0.444 0.932 0.525 CA 1.396 60 residues pruned to eliminate duplicates Z: 37 31.270 2.105 0.608 0.532 1.000 0.667 CA 1.491 37 residues pruned to eliminate duplicates Z: 45 30.190 2.074 0.501 0.515 0.977 0.523 CB 1.475 45 residues pruned to eliminate duplicates Z: 62 30.750 2.019 0.492 0.489 0.934 0.607 CB 1.414 62 residues pruned to eliminate duplicates Z: 43 21.556 2.021 0.452 0.439 0.881 0.476 CA 1.371 43 residues pruned to eliminate duplicates Z: 64 32.500 2.036 0.423 0.487 0.952 0.524 CA 1.503 64 residues pruned to eliminate duplicates Z: 38 25.574 2.083 0.579 0.466 0.919 0.486 CA 1.441 38 residues pruned to eliminate duplicates Z: 38 25.648 2.062 0.586 0.510 0.919 0.622 CA 1.389 38 residues pruned to eliminate duplicates Z: 53 28.263 2.012 0.518 0.489 0.942 0.615 CA 1.378 53 residues pruned to eliminate duplicates Z: 55 35.841 2.086 0.441 0.605 0.963 0.704 CB 1.524 55 residues pruned to eliminate duplicates Z: 56 38.374 2.079 0.555 0.593 0.982 0.655 CA 1.490 63 residues pruned to eliminate duplicates Z: 7 3.852 1.350 0.742 0.264 1.000 0.167 CA 0.875 7 residues pruned to eliminate duplicates Z: 11 7.011 1.843 0.509 0.336 0.700 0.600 CB 1.363 11 residues pruned to eliminate duplicates Z: 43 31.817 2.107 0.538 0.540 0.976 0.643 CA 1.492 43 residues pruned to eliminate duplicates Z: 55 31.017 2.063 0.436 0.549 0.944 0.611 CA 1.438 55 residues pruned to eliminate duplicates Z: 62 37.608 2.030 0.542 0.576 0.984 0.623 CA 1.454 56 residues pruned to eliminate duplicates Z: 11 10.777 1.696 0.530 0.700 1.000 0.800 CA 1.094 11 residues pruned to eliminate duplicates Z: 55 38.882 2.086 0.617 0.598 0.963 0.648 CA 1.484 55 residues pruned to eliminate duplicates Z: 55 34.579 2.098 0.533 0.574 0.944 0.611 CA 1.442 55 residues pruned to eliminate duplicates Z: 40 25.539 2.071 0.461 0.488 0.923 0.564 CA 1.482 40 residues pruned to eliminate duplicates Z: 9 14.083 2.115 0.319 0.832 1.000 0.750 CA 1.340 9 residues pruned to eliminate duplicates Z: 66 31.682 2.004 0.563 0.503 0.877 0.538 CB 1.426 66 residues pruned to eliminate duplicates Z: 56 40.290 2.086 0.668 0.576 0.964 0.545 CB 1.507 62 residues pruned to eliminate duplicates Z: 13 23.723 2.058 0.625 0.905 1.000 0.583 CA 1.457 13 residues pruned to eliminate duplicates Z: 55 42.065 2.098 0.718 0.551 1.000 0.556 CA 1.511 55 residues pruned to eliminate duplicates Z: 14 29.946 2.030 1.009 0.879 1.000 0.385 CB 1.477 14 residues pruned to eliminate duplicates Z: 13 31.887 2.164 0.974 0.889 1.000 0.583 CB 1.551 14 residues pruned to eliminate duplicates Z: 13 28.087 2.169 0.818 0.875 0.917 0.750 CB 1.632 13 residues pruned to eliminate duplicates Z: 14 26.516 2.126 0.913 0.816 0.923 0.538 CB 1.489 13 residues pruned to eliminate duplicates Z: 14 15.124 1.791 0.609 0.728 0.923 0.615 CB 1.285 13 residues pruned to eliminate duplicates Z: 15 13.508 1.730 0.501 0.751 1.000 0.786 CB 1.112 15 residues pruned to eliminate duplicates Z: 12 14.120 1.786 0.613 0.822 1.000 0.727 CB 1.118 12 residues pruned to eliminate duplicates Z: 21 14.792 1.783 0.687 0.620 0.850 0.500 CB 1.155 15 residues pruned to eliminate duplicates Z: 13 15.544 1.734 0.703 0.853 0.917 0.750 CB 1.225 13 residues pruned to eliminate duplicates Z: 13 18.683 1.729 0.832 0.874 1.000 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 13 14.856 1.870 0.563 0.648 1.000 0.583 CB 1.278 13 residues pruned to eliminate duplicates Z: 15 14.604 1.812 0.628 0.690 0.929 0.500 CB 1.198 15 residues pruned to eliminate duplicates Z: 13 19.454 1.734 0.886 0.866 1.000 0.583 CA 1.257 20 residues pruned to eliminate duplicates Z: 14 14.942 1.609 0.769 0.902 0.923 0.769 CB 1.125 14 residues pruned to eliminate duplicates Z: 20 16.867 1.838 0.767 0.651 0.895 0.789 CB 1.157 13 residues pruned to eliminate duplicates Z: 13 16.958 1.683 0.673 0.906 1.000 0.667 CB 1.236 13 residues pruned to eliminate duplicates 990 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 10 D: 13 E: 49 F: 13 G: 16 H: 12 I: 82 J: 113 K: 63 L: 150 M: 20 N: 261 O: 11 P: 143 Q: 20 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 52.69 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.376, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.442, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.520, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.529, Connect. = 0.760 for dens.mod. cycle 4 = 0.300, Contrast = 0.538, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.541, Connect. = 0.764 for dens.mod. cycle 6 = 0.300, Contrast = 0.544, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.546, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.547, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.548, Connect. = 0.768 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.60 - 3.63 - 3.16 - 2.87 - 2.66 - 2.50 - 2.37 - 2.27 - 2.18 - 2.10 0.749 0.788 0.766 0.740 0.726 0.716 0.712 0.692 0.649 0.618 0.959 0.966 0.949 0.929 0.907 0.884 0.877 0.856 0.803 0.767 N 7020 7073 7127 6950 7109 7146 7244 6766 7227 6466 Estimated mean FOM = 0.717 Pseudo-free CC = 74.24 % Best trace (cycle 4 with CC 52.69%) was saved as ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 11.6 - FFTs and peak-searches 28.0 - Sphere of influence 0.8 - Rest of density modification 0.0 - Alpha-helix search 1857.2 - Tripeptide search 17616.3 - Chain tracing 0.0 - NCS analysis 83.9 - B-value refinement for trace 0.4 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 06:41:35 Total time: 19598.86 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 328.93 Used memory is bytes: 20622704