++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:45:21 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.ins Phases from ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.phi Native data from ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.hkl Listing output to ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.lst Phases output to ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.phs Poly-Ala trace output to ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 45457 Reflections read from file ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.phi 45457 Reflections read from file ./2afb-2.0-parrot-mrncs/2afb-2.0-parrot-mrncs.hkl 45457 Unique data, highest resolution = 2.050 Angstroms Anisotropic scaling: intensities multiplied by 0.000033h^2 +0.000033k^2 -0.000005l^2 +0.000000kl +0.000000hl +0.000033hk 58 Reflections with d > 2.250 and 0 in range 2.250 > d > 2.050 added Density sharpening factor set to 0.68 Fourier grid = 256 x 256 x 60 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.790 = 0.300, Contrast = 0.431, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.537, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.561, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.579, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.589, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.598, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.604, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.608, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.611, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3818 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 787 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 19.926 1.971 0.881 0.392 0.905 0.476 CA 1.454 B: 20 14.802 1.920 0.717 0.403 0.842 0.579 CA 1.356 20 residues pruned to eliminate duplicates C: 14 22.404 1.979 0.975 0.855 1.000 0.769 CB 1.173 D: 13 31.778 2.161 0.968 0.942 1.000 0.833 CA 1.496 E: 16 14.373 2.000 0.385 0.867 1.000 0.867 CB 0.980 F: 13 17.678 2.108 0.770 0.884 0.917 0.667 CB 1.078 G: 13 18.048 2.060 0.459 0.922 1.000 0.917 CB 1.219 11 residues pruned to eliminate duplicates H: 13 25.391 2.093 0.895 0.896 1.000 0.750 CB 1.324 13 residues pruned to eliminate duplicates I: 14 28.904 1.999 1.002 0.924 1.000 0.692 CB 1.407 13 residues pruned to eliminate duplicates J: 21 26.590 1.932 0.746 0.810 0.950 0.600 CA 1.416 K: 11 9.979 1.801 0.641 0.454 0.900 0.500 CB 1.243 L: 13 7.970 1.832 0.545 0.440 0.833 0.667 CB 1.037 M: 27 19.239 1.877 0.826 0.428 0.846 0.462 CA 1.402 19 residues pruned to eliminate duplicates N: 13 27.161 2.105 0.900 0.918 1.000 0.917 CA 1.383 13 residues pruned to eliminate duplicates O: 15 13.522 1.947 0.437 0.920 1.000 0.857 CB 0.910 P: 14 16.691 2.138 0.446 0.919 1.000 0.923 CB 1.056 14 residues pruned to eliminate duplicates Q: 19 33.829 1.988 1.048 0.912 1.000 0.722 CB 1.387 R: 15 20.146 1.986 0.754 0.941 1.000 0.929 CB 1.073 13 residues pruned to eliminate duplicates S: 31 10.675 1.666 0.543 0.339 0.833 0.367 CB 1.085 T: 19 17.537 1.874 0.779 0.512 0.889 0.611 CA 1.379 13 residues pruned to eliminate duplicates U: 16 20.927 2.003 0.866 0.943 1.000 0.933 CB 1.002 15 residues pruned to eliminate duplicates V: 89 36.256 1.974 0.681 0.552 0.875 0.625 CB 1.266 51 residues pruned to eliminate duplicates W: 13 18.068 2.128 0.384 0.944 1.000 1.000 CB 1.226 13 residues pruned to eliminate duplicates X: 13 24.189 2.171 0.823 0.898 0.917 0.750 CB 1.377 Y: 24 25.001 1.973 0.930 0.608 0.957 0.522 CB 1.292 19 residues pruned to eliminate duplicates Z: 12 31.869 2.205 0.885 0.936 1.000 0.636 CA 1.610 12 residues pruned to eliminate duplicates Z: 11 27.481 2.209 1.009 0.923 0.900 0.700 CB 1.529 11 residues pruned to eliminate duplicates Z: 12 13.028 1.883 0.734 0.553 0.818 0.727 CB 1.397 12 residues pruned to eliminate duplicates Z: 15 25.355 1.997 1.165 0.941 1.000 0.714 CB 1.088 15 residues pruned to eliminate duplicates Z: 24 17.685 1.841 0.692 0.507 0.870 0.522 CA 1.352 24 residues pruned to eliminate duplicates Z: 20 21.400 1.872 0.821 0.860 0.947 0.737 CB 1.118 20 residues pruned to eliminate duplicates Z: 16 20.407 1.971 0.877 0.680 0.933 0.333 CB 1.293 Z: 13 16.499 2.054 0.716 0.942 1.000 1.000 CB 0.937 13 residues pruned to eliminate duplicates Z: 17 13.059 1.905 0.422 0.878 1.000 0.688 CB 0.874 17 residues pruned to eliminate duplicates Z: 20 23.768 1.887 0.744 0.882 0.947 0.421 CA 1.265 19 residues pruned to eliminate duplicates Z: 21 32.869 1.983 0.874 0.911 1.000 0.500 CA 1.401 21 residues pruned to eliminate duplicates Z: 37 19.056 1.880 0.497 0.475 0.889 0.444 CB 1.302 37 residues pruned to eliminate duplicates Z: 13 14.073 1.944 0.690 0.516 0.917 0.750 CA 1.328 13 residues pruned to eliminate duplicates Z: 17 15.245 1.903 0.678 0.473 0.875 0.500 CB 1.402 17 residues pruned to eliminate duplicates Z: 10 8.732 1.996 -0.035 0.918 1.000 1.000 CA 1.065 10 residues pruned to eliminate duplicates Z: 8 13.474 2.005 0.865 0.635 1.000 0.857 CA 1.200 8 residues pruned to eliminate duplicates Z: 13 31.037 1.999 1.288 0.931 1.000 0.500 CB 1.370 12 residues pruned to eliminate duplicates Z: 13 27.999 2.106 0.907 0.927 1.000 0.583 CA 1.410 13 residues pruned to eliminate duplicates Z: 12 26.739 2.231 1.209 0.931 1.000 0.455 CB 1.143 12 residues pruned to eliminate duplicates Z: 18 21.553 1.904 1.100 0.851 1.000 0.529 CB 0.968 16 residues pruned to eliminate duplicates Z: 18 18.409 1.980 0.701 0.562 0.882 0.706 CA 1.414 18 residues pruned to eliminate duplicates Z: 21 26.930 1.968 0.784 0.903 0.850 0.450 CA 1.438 21 residues pruned to eliminate duplicates Z: 14 27.440 2.049 0.994 0.926 1.000 0.692 CB 1.307 14 residues pruned to eliminate duplicates Z: 45 22.318 1.881 0.632 0.429 0.886 0.636 CB 1.331 33 residues pruned to eliminate duplicates Z: 8 10.984 1.747 0.446 0.759 1.000 0.714 CA 1.305 8 residues pruned to eliminate duplicates Z: 54 40.711 2.055 0.775 0.759 0.943 0.604 CB 1.291 55 residues pruned to eliminate duplicates Z: 16 17.421 1.997 0.807 0.876 1.000 0.733 CB 0.906 16 residues pruned to eliminate duplicates Z: 16 27.197 1.998 1.133 0.905 1.000 0.600 CB 1.172 16 residues pruned to eliminate duplicates Z: 34 27.760 1.989 1.137 0.598 0.848 0.515 CB 1.220 45 residues pruned to eliminate duplicates Z: 13 14.556 2.016 0.322 0.888 0.917 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 15 19.404 1.956 1.115 0.918 1.000 0.643 CB 0.884 15 residues pruned to eliminate duplicates Z: 21 30.702 1.969 0.925 0.855 0.950 0.550 CA 1.408 21 residues pruned to eliminate duplicates Z: 15 22.599 2.048 0.695 0.910 1.000 0.857 CB 1.234 15 residues pruned to eliminate duplicates Z: 20 29.759 1.933 1.031 0.913 1.000 0.737 CA 1.231 20 residues pruned to eliminate duplicates Z: 19 28.150 2.094 0.576 0.935 1.000 0.889 CA 1.401 19 residues pruned to eliminate duplicates Z: 39 28.122 1.932 0.587 0.705 0.974 0.737 CB 1.268 22 residues pruned to eliminate duplicates Z: 6 11.345 1.803 0.773 0.760 1.000 0.800 CA 1.260 6 residues pruned to eliminate duplicates Z: 12 24.910 2.185 0.939 0.908 1.000 0.455 CB 1.259 12 residues pruned to eliminate duplicates Z: 18 12.472 1.797 0.369 0.604 0.941 0.706 CB 1.184 18 residues pruned to eliminate duplicates Z: 18 22.568 1.935 1.037 0.874 1.000 0.588 CB 1.011 18 residues pruned to eliminate duplicates Z: 13 10.967 1.814 0.706 0.622 1.000 0.833 CB 0.912 13 residues pruned to eliminate duplicates Z: 13 19.072 2.085 0.746 0.908 0.917 0.750 CB 1.172 13 residues pruned to eliminate duplicates Z: 7 5.875 1.701 0.151 0.714 1.000 0.833 CB 1.009 Z: 9 6.656 1.765 0.684 0.520 1.000 0.625 CB 0.776 Z: 13 29.020 2.201 0.975 0.911 1.000 0.750 CB 1.365 13 residues pruned to eliminate duplicates Z: 12 18.376 2.199 0.413 0.926 1.000 0.818 CB 1.250 12 residues pruned to eliminate duplicates Z: 6 8.212 1.647 0.831 0.661 0.800 0.800 N 1.311 Z: 18 17.294 1.830 0.913 0.874 1.000 0.706 CB 0.872 18 residues pruned to eliminate duplicates Z: 10 9.437 1.741 0.441 0.517 1.000 1.000 CB 1.233 Z: 12 31.677 2.062 1.185 0.925 1.000 0.727 CB 1.488 12 residues pruned to eliminate duplicates Z: 14 21.635 2.035 1.070 0.943 1.000 0.846 CB 0.987 14 residues pruned to eliminate duplicates Z: 15 21.466 2.018 1.069 0.930 1.000 0.500 CB 0.961 15 residues pruned to eliminate duplicates Z: 10 24.524 2.318 0.879 0.912 1.000 0.667 CB 1.329 10 residues pruned to eliminate duplicates Z: 12 4.454 1.679 0.374 0.270 0.727 0.455 CB 1.039 Z: 11 18.792 1.858 0.908 0.924 1.000 0.900 CA 1.177 10 residues pruned to eliminate duplicates Z: 11 5.635 1.928 -0.017 0.850 0.900 0.800 CB 0.774 11 residues pruned to eliminate duplicates Z: 12 10.248 1.936 0.633 0.381 0.818 0.455 CA 1.356 12 residues pruned to eliminate duplicates Z: 16 11.718 1.869 0.466 0.631 0.867 0.333 CB 1.127 16 residues pruned to eliminate duplicates Z: 9 16.156 2.027 1.189 0.553 1.000 0.750 CB 1.222 20 residues pruned to eliminate duplicates Z: 17 17.021 1.799 0.368 0.898 1.000 0.688 CB 1.237 Z: 16 21.214 1.909 0.685 0.907 1.000 0.867 CA 1.210 15 residues pruned to eliminate duplicates Z: 12 30.867 2.163 1.132 0.931 0.909 0.364 CB 1.551 12 residues pruned to eliminate duplicates Z: 14 15.117 1.872 0.850 0.494 0.846 0.615 CA 1.440 Z: 7 7.477 1.964 0.313 0.272 1.000 0.667 CA 1.534 7 residues pruned to eliminate duplicates Z: 13 19.215 1.974 0.910 0.913 0.833 0.667 CA 1.249 13 residues pruned to eliminate duplicates Z: 26 19.879 1.978 0.879 0.445 0.960 0.640 CB 1.179 48 residues pruned to eliminate duplicates Z: 20 21.008 1.876 0.789 0.869 0.947 0.789 CB 1.107 20 residues pruned to eliminate duplicates Z: 11 26.745 2.032 1.318 0.912 1.000 0.600 CA 1.272 11 residues pruned to eliminate duplicates Z: 15 8.855 1.790 0.605 0.401 0.786 0.357 CB 1.164 Z: 14 27.673 2.171 0.760 0.909 1.000 1.000 CB 1.425 13 residues pruned to eliminate duplicates Z: 18 18.610 1.914 0.536 0.877 1.000 0.765 CB 1.115 18 residues pruned to eliminate duplicates Z: 19 23.893 2.019 0.516 0.914 1.000 0.889 CA 1.302 19 residues pruned to eliminate duplicates Z: 18 23.672 1.954 0.839 0.913 0.941 0.588 CB 1.201 18 residues pruned to eliminate duplicates Z: 16 23.131 2.016 0.753 0.894 1.000 0.667 CB 1.212 16 residues pruned to eliminate duplicates Z: 10 22.451 2.007 1.152 0.903 1.000 0.778 CA 1.235 11 residues pruned to eliminate duplicates Z: 13 30.795 2.125 1.104 0.938 1.000 0.750 CA 1.383 13 residues pruned to eliminate duplicates Z: 11 11.856 1.756 0.519 0.549 0.900 0.700 CB 1.489 11 residues pruned to eliminate duplicates Z: 16 10.473 1.842 0.091 0.864 1.000 0.933 CB 0.986 16 residues pruned to eliminate duplicates Z: 28 17.893 1.682 0.546 0.735 0.963 0.704 CB 1.113 Z: 9 21.462 2.007 1.057 0.911 1.000 1.000 CA 1.303 9 residues pruned to eliminate duplicates Z: 8 11.792 1.852 0.348 0.872 1.000 0.571 CB 1.301 Z: 19 16.154 1.858 0.430 0.841 0.944 0.889 CB 1.131 18 residues pruned to eliminate duplicates Z: 18 27.278 1.899 1.133 0.936 1.000 0.765 CB 1.137 18 residues pruned to eliminate duplicates Z: 16 14.703 1.825 0.210 0.855 1.000 0.867 CA 1.268 16 residues pruned to eliminate duplicates Z: 12 18.919 2.110 0.516 0.865 0.909 0.727 CA 1.436 12 residues pruned to eliminate duplicates Z: 17 13.933 1.762 0.260 0.869 1.000 0.750 CA 1.146 8 residues pruned to eliminate duplicates Z: 6 5.006 1.729 -0.033 0.840 1.000 0.400 CB 0.999 4 residues pruned to eliminate duplicates Z: 34 19.857 1.910 0.710 0.563 0.879 0.485 CB 1.134 42 residues pruned to eliminate duplicates Z: 43 29.409 2.062 0.991 0.664 0.810 0.381 CB 1.173 43 residues pruned to eliminate duplicates Z: 18 13.727 1.984 0.543 0.432 0.882 0.647 CB 1.322 Z: 39 20.547 1.797 0.489 0.558 0.895 0.605 CB 1.317 32 residues pruned to eliminate duplicates Z: 16 18.994 1.809 0.616 0.897 0.933 0.600 CB 1.287 17 residues pruned to eliminate duplicates Z: 10 12.368 1.714 0.506 0.886 1.000 0.444 CB 1.152 Z: 24 14.274 1.736 0.740 0.511 0.870 0.652 CB 1.121 14 residues pruned to eliminate duplicates Z: 40 20.080 1.882 0.792 0.398 0.821 0.538 CB 1.294 7 residues pruned to eliminate duplicates Z: 14 25.512 2.043 0.820 0.894 1.000 0.692 CB 1.366 14 residues pruned to eliminate duplicates Z: 19 24.059 2.077 0.487 0.869 0.944 0.778 CA 1.419 19 residues pruned to eliminate duplicates Z: 13 12.317 1.821 1.189 0.461 0.750 0.667 CA 1.238 13 residues pruned to eliminate duplicates Z: 8 6.757 1.851 0.399 0.387 0.857 0.714 CA 1.297 6 residues pruned to eliminate duplicates Z: 17 20.982 1.839 0.668 0.909 1.000 0.750 CB 1.213 16 residues pruned to eliminate duplicates Z: 29 17.277 1.901 0.756 0.384 0.786 0.393 CA 1.409 29 residues pruned to eliminate duplicates Z: 20 26.115 2.036 0.616 0.935 1.000 0.789 CA 1.269 20 residues pruned to eliminate duplicates Z: 6 2.468 1.471 0.004 0.636 0.600 0.200 CA 1.096 Z: 19 30.529 1.983 0.772 0.928 1.000 0.778 CA 1.433 19 residues pruned to eliminate duplicates Z: 14 12.679 1.904 0.269 0.914 1.000 0.923 CA 1.029 14 residues pruned to eliminate duplicates Z: 15 9.192 1.546 0.767 0.487 0.929 0.643 CB 0.981 Z: 10 7.888 1.906 0.490 0.484 0.778 0.556 CB 1.210 10 residues pruned to eliminate duplicates Z: 21 32.042 1.994 0.856 0.897 0.950 0.700 CA 1.459 21 residues pruned to eliminate duplicates Z: 19 24.813 2.076 0.497 0.913 1.000 0.722 CA 1.332 19 residues pruned to eliminate duplicates Z: 21 26.231 2.018 0.675 0.882 0.950 0.650 CA 1.322 21 residues pruned to eliminate duplicates Z: 7 8.127 1.599 0.852 0.604 0.833 0.833 O 1.218 Z: 13 25.674 2.120 1.137 0.925 1.000 0.750 CB 1.148 13 residues pruned to eliminate duplicates Z: 13 27.625 1.964 1.322 0.917 1.000 0.500 CA 1.234 13 residues pruned to eliminate duplicates Z: 25 20.960 2.064 0.360 0.721 0.917 0.792 CA 1.361 25 residues pruned to eliminate duplicates Z: 34 17.310 1.956 0.687 0.410 0.848 0.515 CB 1.182 34 residues pruned to eliminate duplicates Z: 19 28.457 2.060 0.924 0.859 0.944 0.556 CB 1.318 19 residues pruned to eliminate duplicates Z: 19 14.388 1.925 0.622 0.529 0.778 0.667 CB 1.358 19 residues pruned to eliminate duplicates Z: 24 15.532 1.968 0.485 0.493 0.870 0.565 CB 1.284 18 residues pruned to eliminate duplicates Z: 9 14.786 1.945 0.849 0.894 1.000 1.000 CA 1.042 9 residues pruned to eliminate duplicates Z: 15 27.335 2.034 1.207 0.907 0.929 0.500 CB 1.245 15 residues pruned to eliminate duplicates Z: 9 4.015 1.448 0.590 0.346 0.750 0.500 CB 0.972 Z: 23 15.014 1.936 0.708 0.480 0.864 0.636 CB 1.143 23 residues pruned to eliminate duplicates Z: 8 11.964 1.760 0.659 0.895 1.000 0.571 CB 1.110 8 residues pruned to eliminate duplicates Z: 27 17.910 1.802 0.613 0.573 0.923 0.462 CB 1.220 27 residues pruned to eliminate duplicates Z: 16 15.023 1.794 0.245 0.930 1.000 1.000 CA 1.215 16 residues pruned to eliminate duplicates Z: 6 10.810 1.773 0.875 0.617 1.000 0.800 CB 1.302 Z: 19 27.435 1.950 0.781 0.925 1.000 0.833 CA 1.307 19 residues pruned to eliminate duplicates Z: 11 17.074 1.880 1.009 0.888 0.900 0.900 CA 1.144 11 residues pruned to eliminate duplicates Z: 10 15.529 1.900 0.672 0.844 1.000 0.889 CA 1.213 10 residues pruned to eliminate duplicates Z: 11 14.839 1.804 0.578 0.887 1.000 0.800 CA 1.189 11 residues pruned to eliminate duplicates Z: 11 18.642 2.036 0.930 0.876 0.900 0.700 CB 1.211 11 residues pruned to eliminate duplicates Z: 14 30.124 2.123 1.209 0.932 1.000 0.462 CB 1.245 14 residues pruned to eliminate duplicates Z: 9 9.203 1.786 0.166 0.814 1.000 0.750 CB 1.189 9 residues pruned to eliminate duplicates Z: 15 12.209 1.793 0.642 0.464 0.857 0.500 CA 1.341 15 residues pruned to eliminate duplicates Z: 16 14.743 1.826 0.228 0.882 1.000 0.867 CA 1.228 16 residues pruned to eliminate duplicates Z: 16 17.583 1.834 0.376 0.899 1.000 0.800 CA 1.286 16 residues pruned to eliminate duplicates Z: 19 29.457 2.066 0.677 0.934 1.000 0.778 CA 1.397 19 residues pruned to eliminate duplicates Z: 6 9.227 1.884 0.468 0.660 1.000 0.200 CA 1.287 Z: 11 17.139 1.809 0.848 0.909 1.000 0.600 CA 1.151 11 residues pruned to eliminate duplicates Z: 29 12.386 1.919 0.536 0.368 0.750 0.500 CB 1.221 29 residues pruned to eliminate duplicates Z: 16 13.115 1.717 0.656 0.477 0.933 0.467 CA 1.307 6 residues pruned to eliminate duplicates Z: 16 21.225 1.950 1.148 0.942 1.000 0.800 CB 0.907 16 residues pruned to eliminate duplicates Z: 19 26.223 1.879 0.895 0.909 0.944 0.611 CB 1.304 19 residues pruned to eliminate duplicates Z: 12 22.733 2.191 0.736 0.935 1.000 0.909 CA 1.255 12 residues pruned to eliminate duplicates Z: 16 15.181 1.840 0.774 0.623 0.933 0.467 CA 1.146 16 residues pruned to eliminate duplicates Z: 10 8.603 1.736 0.284 0.809 0.778 0.556 CB 1.264 10 residues pruned to eliminate duplicates Z: 25 19.215 1.866 0.821 0.454 0.958 0.542 CB 1.263 25 residues pruned to eliminate duplicates Z: 12 22.577 2.148 0.593 0.929 1.000 1.000 CA 1.392 12 residues pruned to eliminate duplicates Z: 63 34.074 2.047 0.681 0.581 0.903 0.613 CB 1.288 63 residues pruned to eliminate duplicates Z: 19 13.685 2.031 0.827 0.549 0.889 0.500 CB 0.932 19 residues pruned to eliminate duplicates Z: 22 13.255 1.762 0.345 0.538 0.952 0.619 CB 1.234 22 residues pruned to eliminate duplicates Z: 6 10.321 1.978 0.330 0.817 1.000 1.000 CB 1.332 6 residues pruned to eliminate duplicates Z: 21 16.412 1.870 0.704 0.553 0.950 0.550 CB 1.150 21 residues pruned to eliminate duplicates Z: 8 2.548 1.556 -0.072 0.426 0.857 0.571 CB 0.840 Z: 20 12.315 1.692 0.608 0.415 0.895 0.526 CB 1.268 24 residues pruned to eliminate duplicates Z: 7 4.250 1.610 0.119 0.402 1.000 0.667 CB 1.068 7 residues pruned to eliminate duplicates Z: 34 28.523 2.047 0.702 0.700 0.909 0.636 CB 1.306 34 residues pruned to eliminate duplicates Z: 11 6.313 1.674 0.371 0.410 0.800 0.300 CB 1.194 6 residues pruned to eliminate duplicates Z: 25 18.656 1.761 0.700 0.641 0.958 0.750 CB 1.163 24 residues pruned to eliminate duplicates Z: 10 7.992 1.683 0.698 0.511 0.889 0.667 CB 1.037 10 residues pruned to eliminate duplicates Z: 20 24.435 2.000 0.867 0.824 0.895 0.579 CB 1.268 20 residues pruned to eliminate duplicates Z: 16 14.189 1.672 0.434 0.890 1.000 0.867 CB 1.099 Z: 11 11.313 1.739 0.520 0.558 0.900 0.600 CA 1.421 11 residues pruned to eliminate duplicates Z: 30 20.356 1.794 0.745 0.554 0.862 0.517 CB 1.328 30 residues pruned to eliminate duplicates Z: 6 8.584 1.977 0.429 0.451 1.000 0.600 CB 1.429 6 residues pruned to eliminate duplicates Z: 20 14.455 1.770 0.762 0.441 0.947 0.526 CB 1.193 20 residues pruned to eliminate duplicates Z: 9 2.853 1.563 0.520 0.479 0.625 0.500 CB 0.694 5 residues pruned to eliminate duplicates Z: 11 21.205 2.192 0.570 0.920 1.000 0.900 CA 1.372 11 residues pruned to eliminate duplicates Z: 19 9.618 1.921 0.416 0.427 0.778 0.444 CB 1.155 19 residues pruned to eliminate duplicates Z: 8 7.561 1.649 0.537 0.676 1.000 0.571 CB 0.959 Z: 15 13.824 1.757 0.247 0.885 0.929 0.643 CB 1.311 15 residues pruned to eliminate duplicates Z: 25 14.116 1.906 0.367 0.479 0.917 0.417 CB 1.232 25 residues pruned to eliminate duplicates Z: 16 15.841 1.792 0.245 0.924 1.000 1.000 CA 1.287 16 residues pruned to eliminate duplicates Z: 12 9.404 1.614 0.660 0.563 1.000 0.455 CB 0.995 12 residues pruned to eliminate duplicates Z: 7 4.930 1.624 0.480 0.401 0.833 0.833 CB 1.116 8 residues pruned to eliminate duplicates Z: 11 11.388 1.636 0.679 0.694 1.000 0.600 CB 1.098 11 residues pruned to eliminate duplicates Z: 18 19.803 1.994 0.567 0.656 0.941 0.765 CB 1.412 19 residues pruned to eliminate duplicates Z: 16 9.627 1.741 0.570 0.479 0.867 0.667 CB 1.073 4 residues pruned to eliminate duplicates Z: 54 38.271 1.987 0.784 0.688 0.925 0.566 CB 1.350 52 residues pruned to eliminate duplicates Z: 18 17.673 1.941 0.956 0.903 1.000 0.824 CB 0.805 18 residues pruned to eliminate duplicates Z: 7 4.880 1.536 0.381 0.584 0.833 0.667 CB 1.040 7 residues pruned to eliminate duplicates Z: 11 9.997 1.876 0.431 0.530 0.900 0.700 CA 1.270 11 residues pruned to eliminate duplicates Z: 7 5.515 1.547 1.020 0.407 0.833 0.833 CB 0.953 7 residues pruned to eliminate duplicates Z: 16 10.353 1.831 0.589 0.454 0.733 0.467 CB 1.313 15 residues pruned to eliminate duplicates Z: 16 18.443 1.831 0.377 0.912 1.000 0.800 CB 1.338 16 residues pruned to eliminate duplicates Z: 11 14.840 1.811 0.997 0.929 0.900 0.800 CA 1.009 11 residues pruned to eliminate duplicates Z: 45 21.244 1.869 0.760 0.454 0.886 0.545 CB 1.151 69 residues pruned to eliminate duplicates Z: 13 9.746 1.852 0.439 0.443 0.833 0.417 CA 1.343 Z: 19 18.556 2.082 0.366 0.881 0.833 0.833 CA 1.336 19 residues pruned to eliminate duplicates Z: 20 28.745 2.047 0.725 0.924 0.947 0.789 CA 1.384 20 residues pruned to eliminate duplicates Z: 16 13.366 1.803 0.324 0.843 0.933 0.667 CB 1.153 16 residues pruned to eliminate duplicates Z: 62 25.949 1.916 0.653 0.419 0.902 0.525 CB 1.267 63 residues pruned to eliminate duplicates Z: 8 6.299 1.677 0.287 0.866 0.857 0.429 CB 0.942 8 residues pruned to eliminate duplicates Z: 11 11.768 1.812 0.492 0.601 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 19 24.603 1.980 0.695 0.898 0.889 0.833 CA 1.391 19 residues pruned to eliminate duplicates Z: 20 17.271 1.802 0.774 0.593 0.947 0.737 CB 1.198 17 residues pruned to eliminate duplicates Z: 8 3.960 1.506 0.484 0.437 0.714 0.429 CB 1.001 8 residues pruned to eliminate duplicates Z: 12 11.606 1.921 0.652 0.447 0.909 0.455 CA 1.280 12 residues pruned to eliminate duplicates Z: 12 29.300 2.144 0.956 0.934 1.000 0.455 CA 1.469 14 residues pruned to eliminate duplicates Z: 9 6.293 1.630 0.391 0.452 0.875 0.375 CB 1.177 7 residues pruned to eliminate duplicates Z: 15 15.081 1.645 0.708 0.930 1.000 0.571 CB 1.003 15 residues pruned to eliminate duplicates Z: 8 9.685 1.788 0.584 0.842 0.714 0.571 CA 1.348 8 residues pruned to eliminate duplicates Z: 17 11.897 1.600 0.429 0.849 1.000 0.750 CB 0.964 17 residues pruned to eliminate duplicates Z: 6 5.313 1.682 0.255 0.641 1.000 0.800 CB 0.987 Z: 35 14.459 1.890 0.616 0.414 0.765 0.529 CB 1.161 35 residues pruned to eliminate duplicates Z: 15 14.982 1.707 0.609 0.809 1.000 0.786 CB 1.114 15 residues pruned to eliminate duplicates Z: 16 7.764 1.737 0.462 0.362 0.867 0.333 CB 1.057 16 residues pruned to eliminate duplicates Z: 62 27.628 1.911 0.719 0.424 0.902 0.557 CB 1.293 62 residues pruned to eliminate duplicates Z: 14 12.268 1.773 0.182 0.876 1.000 0.692 CB 1.180 14 residues pruned to eliminate duplicates Z: 16 10.828 1.819 0.484 0.400 0.867 0.467 CA 1.328 16 residues pruned to eliminate duplicates Z: 10 7.435 1.685 0.388 0.409 0.889 0.556 CA 1.312 Z: 12 7.734 1.792 0.338 0.417 0.727 0.455 CB 1.458 12 residues pruned to eliminate duplicates Z: 76 29.884 1.877 0.552 0.493 0.920 0.573 CB 1.298 74 residues pruned to eliminate duplicates Z: 62 25.475 1.906 0.594 0.443 0.902 0.557 CB 1.263 62 residues pruned to eliminate duplicates Z: 11 7.976 1.588 0.418 0.812 0.900 0.500 CB 0.948 11 residues pruned to eliminate duplicates Z: 17 12.650 1.719 0.280 0.883 0.938 0.812 CA 1.109 17 residues pruned to eliminate duplicates Z: 16 12.100 1.629 0.690 0.857 0.867 0.400 CB 0.965 17 residues pruned to eliminate duplicates Z: 8 12.632 1.755 0.697 0.740 1.000 0.571 CB 1.293 8 residues pruned to eliminate duplicates Z: 31 15.611 1.920 0.353 0.413 0.867 0.500 CA 1.387 31 residues pruned to eliminate duplicates Z: 9 11.431 1.694 0.720 0.796 0.875 0.625 CB 1.223 9 residues pruned to eliminate duplicates Z: 6 5.182 1.786 0.121 0.674 1.000 0.800 CB 0.986 6 residues pruned to eliminate duplicates Z: 14 21.270 2.009 0.627 0.926 1.000 0.923 CB 1.266 14 residues pruned to eliminate duplicates Z: 31 16.651 1.984 0.278 0.622 0.867 0.767 CB 1.233 31 residues pruned to eliminate duplicates Z: 6 4.936 1.654 0.508 0.498 0.800 0.600 CB 1.109 6 residues pruned to eliminate duplicates Z: 11 11.850 1.719 0.829 0.682 0.900 0.700 CB 1.120 11 residues pruned to eliminate duplicates Z: 6 3.981 1.696 0.224 0.455 0.800 0.800 CA 1.122 Z: 8 6.216 1.676 0.423 0.648 0.857 0.714 CA 1.001 9 residues pruned to eliminate duplicates Z: 39 20.799 1.833 0.394 0.600 0.921 0.553 CB 1.302 39 residues pruned to eliminate duplicates Z: 46 27.365 2.026 0.786 0.545 0.889 0.467 CB 1.214 46 residues pruned to eliminate duplicates Z: 7 3.766 1.263 0.428 0.647 0.833 0.333 O 0.892 Z: 15 14.992 1.843 0.187 0.905 1.000 0.857 CB 1.304 15 residues pruned to eliminate duplicates Z: 12 11.942 1.786 0.739 0.453 0.909 0.727 CB 1.339 13 residues pruned to eliminate duplicates Z: 9 16.523 2.132 0.564 0.886 1.000 1.000 CB 1.264 9 residues pruned to eliminate duplicates Z: 9 5.203 1.541 0.229 0.526 1.000 0.750 CA 0.947 9 residues pruned to eliminate duplicates Z: 18 13.302 1.995 0.273 0.614 0.882 0.647 CB 1.292 18 residues pruned to eliminate duplicates Z: 17 20.752 1.813 0.620 0.906 1.000 0.750 CB 1.257 17 residues pruned to eliminate duplicates Z: 13 11.136 1.906 0.889 0.325 0.917 0.583 CB 1.181 13 residues pruned to eliminate duplicates Z: 10 14.777 1.863 0.667 0.881 1.000 0.778 CB 1.149 10 residues pruned to eliminate duplicates Z: 16 12.481 1.598 0.356 0.915 1.000 0.933 CB 1.051 16 residues pruned to eliminate duplicates Z: 6 3.586 1.247 0.935 0.320 1.000 0.600 CB 0.810 6 residues pruned to eliminate duplicates Z: 7 7.272 1.772 0.655 0.469 0.833 0.500 CA 1.253 7 residues pruned to eliminate duplicates Z: 14 14.108 1.715 0.470 0.866 0.923 0.385 CB 1.230 14 residues pruned to eliminate duplicates Z: 10 8.257 1.627 0.418 0.581 0.889 0.556 CB 1.241 10 residues pruned to eliminate duplicates Z: 12 7.444 1.569 0.440 0.607 0.909 0.636 CB 0.987 12 residues pruned to eliminate duplicates Z: 15 10.506 1.903 0.239 0.557 0.786 0.643 CB 1.434 15 residues pruned to eliminate duplicates Z: 8 4.315 1.625 1.024 0.364 0.571 0.286 CB 1.004 8 residues pruned to eliminate duplicates Z: 51 26.145 1.800 0.726 0.598 0.960 0.620 CB 1.128 52 residues pruned to eliminate duplicates Z: 37 20.266 1.967 0.667 0.417 0.833 0.417 CB 1.347 38 residues pruned to eliminate duplicates Z: 15 27.834 2.088 1.152 0.785 0.929 0.643 CB 1.388 15 residues pruned to eliminate duplicates 6 1.565 1.215 0.297 0.464 0.600 0.600 C 0.768 ? Z: 6 4.801 1.856 0.330 0.848 1.000 0.800 CB 0.646 6 residues pruned to eliminate duplicates Z: 22 22.340 2.008 1.001 0.458 0.952 0.476 CB 1.330 22 residues pruned to eliminate duplicates Z: 14 7.641 1.720 0.586 0.456 0.692 0.692 CB 1.174 Z: 11 10.041 1.739 0.539 0.739 1.000 0.700 CA 0.957 11 residues pruned to eliminate duplicates Z: 11 10.130 1.683 0.406 0.653 1.000 0.900 CB 1.174 11 residues pruned to eliminate duplicates Z: 18 23.690 1.967 0.648 0.919 0.941 0.824 CB 1.328 18 residues pruned to eliminate duplicates Z: 20 27.852 1.949 0.922 0.893 1.000 0.842 CB 1.224 20 residues pruned to eliminate duplicates Z: 12 13.164 1.783 0.603 0.641 1.000 0.545 CB 1.217 12 residues pruned to eliminate duplicates Z: 11 11.345 1.673 0.711 0.619 0.900 0.800 CB 1.244 11 residues pruned to eliminate duplicates 6 1.633 1.696 0.757 0.100 0.600 0.400 CB 0.681 ? Z: 12 13.400 1.727 0.663 0.925 1.000 1.000 CA 0.987 12 residues pruned to eliminate duplicates Z: 10 13.255 1.950 0.489 0.886 0.889 0.889 CA 1.235 10 residues pruned to eliminate duplicates Z: 9 9.688 1.660 0.465 0.893 1.000 1.000 CB 1.012 9 residues pruned to eliminate duplicates Z: 6 3.430 1.478 0.839 0.382 0.800 0.400 CB 0.800 6 residues pruned to eliminate duplicates Z: 25 12.781 1.921 0.445 0.397 0.792 0.375 CA 1.324 25 residues pruned to eliminate duplicates Z: 12 28.159 2.227 1.136 0.931 1.000 0.727 CB 1.247 12 residues pruned to eliminate duplicates Z: 43 39.801 2.057 0.909 0.725 0.929 0.762 CB 1.375 43 residues pruned to eliminate duplicates Z: 21 11.385 1.842 0.571 0.404 0.850 0.550 CB 1.145 21 residues pruned to eliminate duplicates Z: 19 16.459 1.904 0.684 0.568 0.889 0.667 CB 1.275 25 residues pruned to eliminate duplicates Z: 9 14.294 1.923 0.919 0.840 1.000 0.875 CA 1.022 9 residues pruned to eliminate duplicates Z: 17 7.440 1.547 0.326 0.461 0.812 0.500 CB 1.162 Z: 6 9.862 1.816 0.626 0.536 1.000 0.600 CB 1.442 8 residues pruned to eliminate duplicates Z: 14 14.238 1.661 0.589 0.927 1.000 0.615 CB 1.049 14 residues pruned to eliminate duplicates Z: 11 15.017 1.857 0.779 0.874 0.900 0.700 CA 1.162 11 residues pruned to eliminate duplicates Z: 6 5.021 1.404 0.547 0.702 0.800 0.200 C 1.074 6 residues pruned to eliminate duplicates Z: 38 18.584 1.935 0.542 0.416 0.838 0.541 CB 1.335 38 residues pruned to eliminate duplicates Z: 6 8.319 1.520 0.669 0.726 1.000 0.400 C 1.196 6 residues pruned to eliminate duplicates Z: 17 12.257 1.501 0.839 0.926 0.875 0.250 CB 0.890 17 residues pruned to eliminate duplicates Z: 15 13.270 1.641 0.372 0.915 1.000 0.929 CB 1.113 15 residues pruned to eliminate duplicates Z: 6 7.718 1.640 0.609 0.585 1.000 0.600 CB 1.205 Z: 17 8.717 1.654 0.473 0.490 0.812 0.500 CB 1.111 17 residues pruned to eliminate duplicates Z: 9 3.033 1.609 0.085 0.299 0.875 0.500 CB 0.878 9 residues pruned to eliminate duplicates Z: 13 19.734 1.992 0.926 0.895 0.833 0.500 CB 1.278 13 residues pruned to eliminate duplicates Z: 6 2.353 1.480 0.407 0.802 0.800 0.800 CA 0.485 6 residues pruned to eliminate duplicates Z: 12 6.407 1.516 0.243 0.514 0.909 0.727 CB 1.112 12 residues pruned to eliminate duplicates Z: 7 2.328 1.452 0.131 0.701 0.833 0.833 CB 0.579 Z: 8 4.059 1.442 0.122 0.619 0.857 0.571 O 0.988 8 residues pruned to eliminate duplicates Z: 8 2.404 1.403 0.640 0.538 0.571 0.571 CA 0.666 8 residues pruned to eliminate duplicates 6 0.638 1.212 0.251 0.297 0.600 0.600 CA 0.394 ? Z: 7 2.547 1.517 0.273 0.239 0.667 0.667 CA 1.093 Z: 11 9.225 1.716 0.626 0.547 0.900 0.800 CB 1.110 11 residues pruned to eliminate duplicates Z: 18 7.170 1.576 0.388 0.429 0.882 0.529 N 0.971 10 residues pruned to eliminate duplicates Z: 13 7.778 1.539 0.439 0.899 1.000 0.917 CB 0.724 Z: 11 12.475 1.643 0.570 0.747 1.000 0.700 CA 1.226 11 residues pruned to eliminate duplicates Z: 6 3.531 1.420 0.191 0.751 0.800 0.800 CA 0.933 Z: 11 12.799 1.799 0.823 0.689 0.900 0.800 CA 1.153 11 residues pruned to eliminate duplicates Z: 12 12.210 1.729 0.457 0.903 1.000 0.727 CA 1.041 11 residues pruned to eliminate duplicates Z: 6 9.730 1.856 0.459 0.589 1.000 0.800 CB 1.475 Z: 23 16.551 1.817 0.585 0.562 0.909 0.682 CB 1.269 23 residues pruned to eliminate duplicates Z: 8 13.679 1.922 1.012 0.649 1.000 0.857 CB 1.164 8 residues pruned to eliminate duplicates Z: 17 5.475 1.510 0.339 0.387 0.750 0.438 CB 1.018 12 residues pruned to eliminate duplicates Z: 14 7.553 1.485 0.310 0.907 1.000 0.846 CB 0.765 13 residues pruned to eliminate duplicates Z: 11 9.596 1.815 0.677 0.454 0.900 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 6 3.529 1.537 0.133 0.739 0.800 0.600 CA 0.915 Z: 51 20.908 1.876 0.628 0.375 0.880 0.520 CB 1.258 57 residues pruned to eliminate duplicates Z: 6 4.624 1.805 0.091 0.839 0.800 0.800 CB 0.980 6 residues pruned to eliminate duplicates Z: 11 16.364 2.041 1.063 0.435 0.900 0.600 CA 1.461 Z: 10 7.013 1.420 0.503 0.517 1.000 0.444 CB 1.077 Z: 27 17.481 1.712 0.604 0.701 0.962 0.615 CB 1.082 27 residues pruned to eliminate duplicates Z: 9 4.922 1.554 0.718 0.516 0.750 0.250 CB 0.855 Z: 30 11.358 1.754 0.359 0.385 0.793 0.448 CB 1.261 37 residues pruned to eliminate duplicates Z: 17 12.985 1.827 0.386 0.869 1.000 0.812 CB 0.937 17 residues pruned to eliminate duplicates Z: 17 5.541 1.670 0.353 0.376 0.750 0.438 CB 0.933 17 residues pruned to eliminate duplicates Z: 24 23.486 1.994 0.813 0.457 1.000 0.522 CA 1.415 26 residues pruned to eliminate duplicates Z: 11 11.828 1.540 1.093 0.694 0.900 0.800 CB 1.079 16 residues pruned to eliminate duplicates Z: 35 16.413 1.894 0.548 0.340 0.824 0.441 CB 1.388 35 residues pruned to eliminate duplicates Z: 7 2.151 1.591 0.247 0.410 1.000 0.500 CB 0.487 Z: 13 20.571 2.088 0.950 0.823 0.917 0.417 CB 1.203 13 residues pruned to eliminate duplicates Z: 26 23.019 1.888 0.854 0.571 1.000 0.640 CB 1.229 28 residues pruned to eliminate duplicates Z: 10 18.676 1.913 0.880 0.917 1.000 1.000 CA 1.221 10 residues pruned to eliminate duplicates Z: 16 16.080 1.616 0.719 0.935 1.000 0.467 CB 1.042 16 residues pruned to eliminate duplicates Z: 6 4.869 1.534 0.662 0.572 1.000 0.600 CA 0.797 Z: 27 15.144 1.903 0.714 0.412 0.808 0.577 CA 1.236 22 residues pruned to eliminate duplicates Z: 10 16.875 1.945 1.078 0.848 0.889 0.444 CB 1.161 10 residues pruned to eliminate duplicates Z: 20 23.167 1.901 0.644 0.915 1.000 0.895 CB 1.202 20 residues pruned to eliminate duplicates Z: 7 3.359 1.499 0.361 0.246 0.833 0.333 N 1.081 7 residues pruned to eliminate duplicates Z: 17 16.780 1.814 0.299 0.885 1.000 0.812 CA 1.286 17 residues pruned to eliminate duplicates Z: 17 18.389 1.849 0.603 0.879 1.000 0.688 CB 1.125 17 residues pruned to eliminate duplicates Z: 20 15.893 1.788 0.699 0.479 0.947 0.579 CA 1.294 20 residues pruned to eliminate duplicates Z: 9 9.204 1.650 0.968 0.922 1.000 0.750 CB 0.704 13 residues pruned to eliminate duplicates Z: 19 18.031 1.853 0.804 0.570 0.944 0.722 CB 1.258 19 residues pruned to eliminate duplicates Z: 12 8.653 1.537 0.215 0.861 1.000 0.818 CB 1.027 12 residues pruned to eliminate duplicates Z: 15 13.019 1.654 0.537 0.917 0.929 0.714 CB 1.040 15 residues pruned to eliminate duplicates Z: 8 2.545 1.362 0.672 0.321 0.714 0.286 CB 0.720 Z: 6 5.712 1.615 0.455 0.714 1.000 0.600 CB 0.895 Z: 24 13.655 1.899 0.718 0.384 0.826 0.391 CB 1.195 12 residues pruned to eliminate duplicates Z: 12 4.389 1.599 0.471 0.176 0.727 0.455 N 1.144 Z: 50 31.108 1.993 0.777 0.604 0.878 0.592 CB 1.295 50 residues pruned to eliminate duplicates Z: 11 3.709 1.411 0.561 0.421 0.600 0.300 CB 0.964 11 residues pruned to eliminate duplicates Z: 19 23.439 1.927 1.057 0.895 0.889 0.389 CB 1.124 19 residues pruned to eliminate duplicates Z: 7 2.763 1.332 0.383 0.552 0.833 0.667 CA 0.699 7 residues pruned to eliminate duplicates Z: 17 14.062 1.597 0.669 0.920 1.000 0.625 CB 0.929 17 residues pruned to eliminate duplicates Z: 10 9.985 1.737 0.636 0.639 1.000 0.556 CB 1.028 10 residues pruned to eliminate duplicates Z: 12 9.983 1.833 0.966 0.420 0.909 0.727 CB 0.999 12 residues pruned to eliminate duplicates Z: 16 13.062 1.696 0.639 0.618 0.933 0.667 CB 1.163 27 residues pruned to eliminate duplicates Z: 37 22.547 1.823 0.586 0.570 0.972 0.694 CB 1.249 37 residues pruned to eliminate duplicates Z: 49 28.063 2.035 0.741 0.573 0.875 0.688 CB 1.217 49 residues pruned to eliminate duplicates Z: 6 3.435 1.465 -0.059 0.573 1.000 0.600 CB 1.038 Z: 8 3.431 1.710 0.377 0.354 0.857 0.571 CB 0.753 6 1.255 1.340 0.090 0.451 0.600 0.400 CB 0.674 ? Z: 42 15.772 1.815 0.663 0.399 0.829 0.463 CB 1.095 42 residues pruned to eliminate duplicates Z: 13 7.293 1.528 0.409 0.880 1.000 0.833 CB 0.708 13 residues pruned to eliminate duplicates Z: 38 28.847 1.822 0.925 0.607 1.000 0.622 CB 1.221 48 residues pruned to eliminate duplicates Z: 10 5.815 1.772 0.107 0.420 0.889 0.889 CA 1.208 10 residues pruned to eliminate duplicates Z: 16 13.612 1.803 0.185 0.911 1.000 0.867 CA 1.166 16 residues pruned to eliminate duplicates Z: 57 26.933 1.814 0.528 0.629 0.929 0.679 CB 1.239 57 residues pruned to eliminate duplicates Z: 10 3.780 1.644 0.514 0.407 0.667 0.556 CB 0.837 10 residues pruned to eliminate duplicates Z: 33 25.888 2.060 0.742 0.632 0.938 0.688 CB 1.202 33 residues pruned to eliminate duplicates Z: 23 14.412 1.719 0.656 0.514 0.909 0.636 CB 1.171 23 residues pruned to eliminate duplicates Z: 6 3.372 1.514 0.681 0.444 1.000 0.800 CB 0.628 Z: 42 31.238 1.952 0.887 0.705 0.927 0.537 CB 1.186 42 residues pruned to eliminate duplicates Z: 19 23.426 1.918 0.728 0.911 0.944 0.722 CA 1.251 19 residues pruned to eliminate duplicates Z: 23 21.390 1.869 0.655 0.780 0.955 0.545 CA 1.206 23 residues pruned to eliminate duplicates Z: 10 9.159 1.641 0.639 0.815 1.000 0.667 CB 0.863 10 residues pruned to eliminate duplicates Z: 9 3.276 1.621 0.070 0.503 0.750 0.625 CB 0.888 9 residues pruned to eliminate duplicates Z: 17 16.907 1.958 0.437 0.875 0.938 0.875 CA 1.165 17 residues pruned to eliminate duplicates Z: 34 23.574 2.010 0.929 0.658 0.848 0.606 CB 1.078 34 residues pruned to eliminate duplicates Z: 7 2.267 1.525 0.090 0.261 0.667 0.333 N 1.098 Z: 27 19.394 1.807 0.686 0.597 0.923 0.769 CB 1.233 27 residues pruned to eliminate duplicates 7 1.707 1.235 0.092 0.394 0.667 0.333 CA 0.867 ? Z: 32 18.795 1.965 0.688 0.411 0.871 0.581 CB 1.283 32 residues pruned to eliminate duplicates Z: 11 17.239 1.805 0.810 0.902 1.000 0.900 CA 1.190 11 residues pruned to eliminate duplicates Z: 23 16.798 1.805 1.034 0.439 0.818 0.591 CA 1.269 23 residues pruned to eliminate duplicates Z: 6 9.483 1.893 0.852 0.796 0.800 0.600 CB 1.166 Z: 18 21.634 1.986 0.950 0.683 0.882 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 8 5.374 1.468 0.497 0.445 0.857 0.429 CB 1.142 8 residues pruned to eliminate duplicates Z: 7 11.241 1.630 0.969 0.883 1.000 0.333 CB 1.034 Z: 7 4.209 1.665 0.581 0.299 0.667 0.167 N 1.226 Z: 7 5.460 1.510 0.126 0.707 1.000 0.833 CB 1.086 5 residues pruned to eliminate duplicates Z: 7 5.606 1.559 0.560 0.476 1.000 0.333 C 0.964 Z: 6 2.682 1.291 0.686 0.463 0.600 0.400 C 0.954 Z: 15 11.554 1.588 0.324 0.928 1.000 0.857 CB 1.028 15 residues pruned to eliminate duplicates Z: 8 10.365 1.707 0.822 0.722 1.000 0.714 CB 1.031 8 residues pruned to eliminate duplicates Z: 15 10.086 1.756 0.731 0.477 0.857 0.714 CB 1.059 15 residues pruned to eliminate duplicates Z: 8 3.788 1.232 0.652 0.590 0.714 0.429 CB 0.904 8 residues pruned to eliminate duplicates Z: 15 18.176 1.754 0.557 0.873 1.000 0.929 CB 1.295 15 residues pruned to eliminate duplicates Z: 10 4.056 1.537 -0.001 0.484 1.000 0.444 CB 0.895 10 residues pruned to eliminate duplicates Z: 17 12.991 1.763 0.445 0.690 0.938 0.812 CB 1.143 18 residues pruned to eliminate duplicates Z: 14 14.476 1.741 0.492 0.885 1.000 0.692 CB 1.116 14 residues pruned to eliminate duplicates Z: 13 8.973 1.548 1.103 0.913 1.000 0.333 CB 0.563 9 residues pruned to eliminate duplicates Z: 9 5.607 1.445 0.264 0.529 1.000 0.250 CB 1.054 Z: 44 17.078 1.821 0.559 0.396 0.837 0.512 CB 1.223 44 residues pruned to eliminate duplicates Z: 8 9.190 1.728 0.569 0.868 1.000 0.714 CB 0.937 7 residues pruned to eliminate duplicates Z: 18 12.034 1.780 0.367 0.829 0.765 0.647 CB 1.179 18 residues pruned to eliminate duplicates Z: 6 5.851 1.569 0.048 0.855 1.000 1.000 CB 1.174 6 residues pruned to eliminate duplicates Z: 32 21.685 1.762 0.573 0.651 0.935 0.548 CB 1.305 39 residues pruned to eliminate duplicates Z: 15 12.658 1.634 0.530 0.904 1.000 0.714 CB 0.963 15 residues pruned to eliminate duplicates Z: 6 4.521 1.527 0.387 0.653 1.000 0.800 CA 0.828 Z: 7 6.071 1.607 0.573 0.463 0.833 0.500 O 1.222 Z: 8 3.978 1.535 0.039 0.462 0.857 0.714 C 1.143 Z: 9 10.303 1.638 0.443 0.878 1.000 0.875 CB 1.119 8 residues pruned to eliminate duplicates Z: 13 7.868 1.622 0.429 0.657 0.917 0.667 CB 0.925 13 residues pruned to eliminate duplicates Z: 11 4.954 1.487 0.554 0.401 0.700 0.400 CB 1.075 11 residues pruned to eliminate duplicates Z: 8 2.674 1.473 0.000 0.414 0.714 0.429 N 1.050 Z: 8 8.905 1.445 0.824 0.836 1.000 0.857 CB 0.955 6 residues pruned to eliminate duplicates Z: 10 3.974 1.405 0.320 0.301 0.778 0.444 N 1.146 Z: 6 7.332 1.678 0.924 0.822 1.000 0.600 CB 0.769 6 residues pruned to eliminate duplicates Z: 12 3.766 1.408 0.621 0.305 0.818 0.364 CB 0.755 11 residues pruned to eliminate duplicates Z: 16 19.488 1.966 0.525 0.946 1.000 1.000 CB 1.161 16 residues pruned to eliminate duplicates Z: 13 9.791 1.523 0.530 0.923 1.000 1.000 CB 0.852 13 residues pruned to eliminate duplicates Z: 23 14.833 1.887 0.516 0.431 0.864 0.591 CB 1.376 23 residues pruned to eliminate duplicates Z: 24 16.634 1.735 0.609 0.672 0.913 0.522 CB 1.161 24 residues pruned to eliminate duplicates Z: 19 11.771 1.609 0.401 0.773 1.000 0.778 CB 0.967 19 residues pruned to eliminate duplicates Z: 31 21.253 1.879 0.719 0.423 0.900 0.567 CA 1.447 31 residues pruned to eliminate duplicates Z: 29 17.702 1.849 0.655 0.432 0.929 0.536 CB 1.262 29 residues pruned to eliminate duplicates Z: 46 27.647 1.993 0.703 0.584 0.867 0.511 CB 1.293 48 residues pruned to eliminate duplicates Z: 12 13.058 1.650 0.752 0.899 1.000 0.909 CA 0.973 12 residues pruned to eliminate duplicates Z: 15 11.943 1.739 0.292 0.863 0.929 0.857 CB 1.122 15 residues pruned to eliminate duplicates Z: 8 3.234 1.579 0.249 0.286 0.714 0.286 CB 1.104 8 residues pruned to eliminate duplicates Z: 15 9.125 1.640 0.606 0.364 0.929 0.357 CB 1.153 15 residues pruned to eliminate duplicates Z: 14 5.543 1.656 0.162 0.285 0.923 0.538 CB 1.102 14 residues pruned to eliminate duplicates Z: 16 15.179 1.560 0.738 0.913 1.000 0.467 CB 1.023 15 residues pruned to eliminate duplicates Z: 10 6.516 1.999 -0.045 0.912 1.000 1.000 CB 0.806 Z: 9 9.316 1.661 0.317 0.862 1.000 0.750 CB 1.106 9 residues pruned to eliminate duplicates Z: 21 17.123 1.830 0.634 0.508 0.950 0.650 CB 1.337 21 residues pruned to eliminate duplicates Z: 6 3.909 1.744 0.153 0.782 1.000 1.000 CA 0.678 6 residues pruned to eliminate duplicates Z: 14 32.851 2.049 1.322 0.916 1.000 0.385 CB 1.353 14 residues pruned to eliminate duplicates Z: 11 5.249 1.493 0.306 0.326 0.900 0.500 CB 1.145 Z: 20 20.738 1.986 0.603 0.856 0.895 0.737 CA 1.232 20 residues pruned to eliminate duplicates Z: 19 27.445 1.945 0.802 0.913 1.000 0.833 CA 1.306 19 residues pruned to eliminate duplicates Z: 18 12.970 1.582 0.529 0.846 0.941 0.647 CB 1.026 17 residues pruned to eliminate duplicates Z: 12 9.367 1.485 0.999 0.927 1.000 0.364 CB 0.667 12 residues pruned to eliminate duplicates Z: 8 6.398 1.574 0.473 0.422 1.000 0.571 C 1.132 9 residues pruned to eliminate duplicates Z: 6 3.140 1.593 0.559 0.428 0.800 0.600 CB 0.762 6 residues pruned to eliminate duplicates Z: 11 17.391 2.172 0.347 0.939 1.000 1.000 CA 1.306 11 residues pruned to eliminate duplicates Z: 6 2.741 1.029 0.307 0.672 1.000 0.600 O 0.777 6 residues pruned to eliminate duplicates Z: 22 13.088 1.855 0.692 0.289 0.857 0.571 CA 1.345 22 residues pruned to eliminate duplicates Z: 48 25.192 1.944 0.611 0.428 0.936 0.574 CB 1.350 71 residues pruned to eliminate duplicates Z: 17 19.945 2.050 0.738 0.525 0.938 0.688 CA 1.456 17 residues pruned to eliminate duplicates 7 1.963 1.290 0.424 0.285 0.667 0.500 CB 0.833 ? 9 1.812 1.130 0.184 0.525 1.000 0.125 CA 0.467 ? Z: 8 4.100 1.749 0.534 0.438 0.714 0.714 CB 0.862 8 residues pruned to eliminate duplicates Z: 13 10.364 1.549 1.153 0.919 1.000 0.833 CB 0.632 13 residues pruned to eliminate duplicates Z: 54 25.166 1.775 0.590 0.661 0.925 0.547 CB 1.141 54 residues pruned to eliminate duplicates Z: 10 13.984 1.721 0.747 0.796 1.000 0.889 CB 1.196 10 residues pruned to eliminate duplicates Z: 6 2.558 1.350 0.255 0.575 0.800 0.800 N 0.785 6 1.324 1.211 0.242 0.131 0.600 0.200 C 1.039 ? Z: 57 21.456 1.888 0.385 0.397 0.911 0.411 CB 1.342 57 residues pruned to eliminate duplicates Z: 29 17.340 1.632 0.783 0.700 0.929 0.607 CB 1.010 29 residues pruned to eliminate duplicates Z: 8 9.506 1.698 0.627 0.900 1.000 0.857 CB 0.929 8 residues pruned to eliminate duplicates Z: 13 6.888 1.491 0.676 0.933 1.000 0.833 CB 0.555 13 residues pruned to eliminate duplicates Z: 14 16.769 1.749 0.898 0.780 0.846 0.615 CB 1.294 14 residues pruned to eliminate duplicates Z: 7 8.281 1.769 0.612 0.550 1.000 0.667 CA 1.129 14 residues pruned to eliminate duplicates Z: 9 8.287 1.591 0.220 0.901 1.000 1.000 CA 1.077 9 residues pruned to eliminate duplicates Z: 14 28.410 2.064 0.913 0.932 1.000 0.769 CB 1.393 14 residues pruned to eliminate duplicates Z: 10 13.288 1.764 0.620 0.683 0.889 0.778 CB 1.473 10 residues pruned to eliminate duplicates 6 1.861 1.502 0.396 0.100 0.800 0.600 CB 0.827 ? Z: 18 10.466 1.731 0.848 0.442 0.706 0.353 CA 1.194 18 residues pruned to eliminate duplicates Z: 45 29.481 1.933 0.884 0.611 0.841 0.523 CB 1.306 56 residues pruned to eliminate duplicates Z: 7 6.239 1.649 1.014 0.647 0.833 0.500 CA 0.803 7 residues pruned to eliminate duplicates Z: 6 3.284 1.670 0.401 0.770 1.000 0.800 CB 0.494 Z: 15 13.219 1.667 0.495 0.926 1.000 0.714 CB 0.994 15 residues pruned to eliminate duplicates Z: 6 3.953 1.433 0.333 0.484 1.000 0.800 N 0.941 Z: 10 18.626 1.963 1.067 0.889 1.000 0.667 CA 1.101 10 residues pruned to eliminate duplicates Z: 6 2.700 1.453 0.179 0.466 0.800 0.400 CB 0.913 Z: 14 5.852 1.579 0.507 0.382 0.846 0.692 CB 0.914 14 residues pruned to eliminate duplicates Z: 31 9.838 1.747 0.211 0.361 0.833 0.467 CB 1.184 31 residues pruned to eliminate duplicates Z: 6 5.520 1.520 0.683 0.822 1.000 0.800 CA 0.730 6 residues pruned to eliminate duplicates Z: 10 6.227 1.638 0.511 0.503 0.778 0.778 CB 1.075 10 residues pruned to eliminate duplicates Z: 14 17.284 1.890 1.148 0.789 0.923 0.538 CB 0.992 14 residues pruned to eliminate duplicates Z: 17 14.262 1.575 0.569 0.910 1.000 0.875 CB 1.023 17 residues pruned to eliminate duplicates Z: 10 16.561 1.812 1.046 0.915 1.000 0.889 CA 1.052 10 residues pruned to eliminate duplicates Z: 44 33.142 1.951 0.702 0.748 0.930 0.767 CB 1.312 44 residues pruned to eliminate duplicates Z: 8 7.498 1.667 0.474 0.577 0.857 0.714 CA 1.250 8 residues pruned to eliminate duplicates Z: 16 26.843 1.999 1.156 0.928 1.000 0.800 CB 1.126 16 residues pruned to eliminate duplicates Z: 7 5.954 1.890 0.198 0.569 1.000 0.500 CB 1.004 7 residues pruned to eliminate duplicates Z: 6 3.740 1.697 0.414 0.383 0.800 0.400 CA 0.986 6 residues pruned to eliminate duplicates Z: 6 5.610 1.653 0.637 0.288 1.000 0.400 CB 1.177 7 residues pruned to eliminate duplicates Z: 14 13.630 1.736 0.278 0.866 1.000 0.692 CB 1.247 14 residues pruned to eliminate duplicates Z: 20 7.815 1.684 0.372 0.314 0.842 0.316 CB 1.133 20 residues pruned to eliminate duplicates Z: 41 32.089 1.887 0.908 0.742 0.950 0.575 CB 1.194 41 residues pruned to eliminate duplicates 559 residues left after pruning, divided into chains as follows: A: 7 B: 93 C: 8 D: 115 E: 8 F: 73 G: 16 H: 14 I: 10 J: 178 K: 6 L: 31 CC for partial structure against native data = 38.49 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.417, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.486, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.585, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.589, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.603, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.609, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.611, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.615, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.616, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3988 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 779 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 25.340 2.263 0.786 0.894 0.909 0.727 CA 1.492 B: 12 35.297 2.295 0.937 0.919 1.000 0.545 CB 1.687 12 residues pruned to eliminate duplicates C: 15 28.785 2.179 0.681 0.920 1.000 0.714 CA 1.479 D: 13 11.239 2.202 -0.029 0.933 0.917 0.833 CA 1.155 13 residues pruned to eliminate duplicates E: 14 24.509 2.282 0.686 0.938 0.923 0.769 CB 1.331 14 residues pruned to eliminate duplicates F: 13 16.209 2.283 0.131 0.924 0.917 0.917 CA 1.388 12 residues pruned to eliminate duplicates G: 10 12.839 2.148 0.404 0.528 1.000 0.778 CA 1.380 H: 16 13.111 1.967 0.527 0.474 0.867 0.667 CB 1.335 I: 21 15.974 2.002 0.447 0.524 0.900 0.700 CB 1.338 10 residues pruned to eliminate duplicates J: 20 20.149 2.102 0.682 0.512 0.895 0.474 CB 1.445 12 residues pruned to eliminate duplicates K: 13 32.053 2.153 1.176 0.839 1.000 0.667 CA 1.474 L: 12 25.070 2.283 0.525 0.933 1.000 1.000 CA 1.515 12 residues pruned to eliminate duplicates M: 15 25.722 1.975 0.782 0.922 0.929 0.714 CA 1.479 15 residues pruned to eliminate duplicates N: 14 21.226 2.169 0.623 0.917 0.923 0.769 CB 1.278 14 residues pruned to eliminate duplicates O: 8 10.675 2.034 0.459 0.537 0.857 0.714 CA 1.529 8 residues pruned to eliminate duplicates P: 22 36.425 2.097 0.976 0.912 0.952 0.857 CA 1.427 Q: 12 31.591 2.251 0.828 0.897 1.000 0.727 CA 1.657 12 residues pruned to eliminate duplicates R: 19 42.777 2.322 0.823 0.931 1.000 0.667 CA 1.665 21 residues pruned to eliminate duplicates S: 21 33.694 2.155 0.916 0.897 0.900 0.750 CA 1.451 21 residues pruned to eliminate duplicates T: 21 26.480 2.143 0.536 0.894 0.900 0.750 CA 1.434 21 residues pruned to eliminate duplicates U: 17 14.239 2.006 0.413 0.889 1.000 0.938 CB 0.904 V: 20 34.209 2.176 0.695 0.911 0.947 0.579 CB 1.591 20 residues pruned to eliminate duplicates W: 16 12.039 1.982 0.247 0.922 0.933 0.867 CB 0.947 16 residues pruned to eliminate duplicates X: 58 43.069 2.129 0.764 0.665 0.912 0.596 CB 1.430 22 residues pruned to eliminate duplicates Y: 15 19.646 2.154 0.419 0.882 0.929 0.786 CB 1.338 15 residues pruned to eliminate duplicates Z: 12 13.623 1.934 0.625 0.462 0.909 0.545 CA 1.494 Z: 10 13.776 1.858 0.739 0.695 0.778 0.556 CB 1.530 Z: 16 12.456 1.897 0.430 0.349 0.933 0.667 CB 1.497 16 residues pruned to eliminate duplicates Z: 15 35.517 2.119 1.093 0.930 1.000 0.714 CA 1.497 13 residues pruned to eliminate duplicates Z: 13 15.826 2.202 0.259 0.924 1.000 0.917 CA 1.157 13 residues pruned to eliminate duplicates Z: 17 20.294 2.118 0.499 0.877 0.938 0.875 CB 1.238 17 residues pruned to eliminate duplicates Z: 20 25.971 1.963 0.638 0.874 0.895 0.526 CB 1.507 Z: 21 27.811 1.888 0.946 0.890 0.950 0.650 CB 1.282 21 residues pruned to eliminate duplicates Z: 22 31.723 2.079 0.690 0.867 0.952 0.667 CA 1.513 22 residues pruned to eliminate duplicates Z: 22 38.351 2.057 0.892 0.904 1.000 0.429 CB 1.532 22 residues pruned to eliminate duplicates Z: 14 28.274 2.243 0.952 0.928 0.923 0.769 CB 1.358 14 residues pruned to eliminate duplicates Z: 24 15.762 1.984 0.658 0.419 0.739 0.522 CA 1.471 Z: 13 23.025 2.209 0.631 0.914 1.000 0.917 CA 1.305 Z: 41 30.094 1.972 0.524 0.689 0.950 0.700 CB 1.403 20 residues pruned to eliminate duplicates Z: 20 34.029 2.216 0.576 0.891 1.000 0.842 CA 1.606 20 residues pruned to eliminate duplicates Z: 14 25.386 2.123 0.896 0.932 0.923 0.231 CB 1.323 14 residues pruned to eliminate duplicates Z: 16 29.057 2.173 0.823 0.917 0.933 0.800 CB 1.431 16 residues pruned to eliminate duplicates Z: 13 29.364 2.266 0.844 0.910 1.000 0.833 CB 1.439 13 residues pruned to eliminate duplicates Z: 15 25.430 2.196 0.644 0.920 0.929 0.714 CB 1.428 15 residues pruned to eliminate duplicates Z: 33 18.192 2.039 0.399 0.391 0.844 0.469 CA 1.499 19 residues pruned to eliminate duplicates Z: 28 19.391 2.022 0.549 0.474 0.852 0.593 CB 1.437 36 residues pruned to eliminate duplicates Z: 12 24.893 2.199 0.819 0.890 0.909 0.636 CA 1.485 12 residues pruned to eliminate duplicates Z: 18 14.919 1.881 0.561 0.440 0.941 0.529 CA 1.392 Z: 68 34.996 1.874 0.625 0.642 0.910 0.493 CB 1.351 Z: 9 12.855 2.156 0.842 0.466 0.875 0.750 CA 1.354 Z: 12 15.818 2.131 1.024 0.943 1.000 0.909 CB 0.767 12 residues pruned to eliminate duplicates Z: 17 28.710 2.031 0.995 0.922 1.000 0.875 CB 1.246 17 residues pruned to eliminate duplicates Z: 11 16.825 2.128 0.471 0.675 0.900 0.900 CB 1.607 11 residues pruned to eliminate duplicates Z: 32 26.601 2.063 0.710 0.501 0.871 0.710 CB 1.553 32 residues pruned to eliminate duplicates Z: 17 22.501 2.079 0.379 0.929 1.000 0.875 CA 1.373 17 residues pruned to eliminate duplicates Z: 13 28.520 2.189 0.959 0.935 1.000 0.833 CB 1.337 13 residues pruned to eliminate duplicates Z: 11 21.436 2.031 0.858 0.912 1.000 0.700 CA 1.272 Z: 20 24.067 1.947 0.931 0.866 0.947 0.632 CB 1.135 24 residues pruned to eliminate duplicates Z: 12 17.807 1.876 0.706 0.908 1.000 0.909 CA 1.191 12 residues pruned to eliminate duplicates Z: 15 29.601 2.241 0.702 0.935 1.000 0.643 CA 1.445 15 residues pruned to eliminate duplicates Z: 18 19.531 2.093 0.348 0.807 1.000 0.765 CA 1.284 18 residues pruned to eliminate duplicates Z: 20 25.982 2.204 0.583 0.879 0.895 0.737 CA 1.385 20 residues pruned to eliminate duplicates Z: 6 12.108 1.900 0.691 0.764 1.000 0.600 CA 1.334 6 residues pruned to eliminate duplicates Z: 16 22.378 2.001 0.883 0.943 1.000 0.667 CB 1.063 16 residues pruned to eliminate duplicates Z: 12 29.418 2.237 1.117 0.932 1.000 0.727 CA 1.308 12 residues pruned to eliminate duplicates Z: 12 21.438 1.930 0.905 0.873 1.000 0.818 CA 1.281 12 residues pruned to eliminate duplicates Z: 15 22.482 2.056 1.195 0.939 1.000 0.571 CB 0.925 16 residues pruned to eliminate duplicates Z: 17 32.210 2.103 1.279 0.902 1.000 0.625 CB 1.198 17 residues pruned to eliminate duplicates Z: 12 22.104 1.926 0.953 0.907 1.000 0.818 CA 1.259 12 residues pruned to eliminate duplicates Z: 11 23.544 1.975 1.056 0.903 1.000 0.700 CA 1.307 10 residues pruned to eliminate duplicates Z: 11 18.187 2.007 0.538 0.875 1.000 0.800 CA 1.355 11 residues pruned to eliminate duplicates Z: 14 39.010 2.175 1.258 0.931 1.000 0.385 CA 1.539 15 residues pruned to eliminate duplicates Z: 14 28.062 2.130 1.187 0.901 1.000 0.846 CA 1.192 14 residues pruned to eliminate duplicates Z: 22 19.900 2.000 0.776 0.434 0.952 0.571 CA 1.376 22 residues pruned to eliminate duplicates Z: 38 32.455 2.102 0.766 0.584 0.946 0.595 CA 1.402 40 residues pruned to eliminate duplicates Z: 9 10.441 1.869 0.365 0.698 1.000 0.625 CA 1.208 Z: 12 20.347 1.847 0.965 0.885 1.000 0.818 CA 1.220 12 residues pruned to eliminate duplicates Z: 19 21.234 1.948 1.162 0.825 0.889 0.611 CB 1.009 19 residues pruned to eliminate duplicates Z: 61 48.594 2.123 0.789 0.699 0.967 0.500 CB 1.425 56 residues pruned to eliminate duplicates Z: 21 31.530 2.127 0.605 0.900 1.000 0.850 CA 1.475 21 residues pruned to eliminate duplicates Z: 17 18.971 1.981 0.879 0.894 1.000 0.812 CB 0.914 17 residues pruned to eliminate duplicates Z: 20 21.974 2.042 0.615 0.613 0.947 0.842 CA 1.450 18 residues pruned to eliminate duplicates Z: 29 20.806 1.835 0.663 0.739 0.929 0.714 CB 1.120 Z: 39 29.846 2.034 0.440 0.699 0.947 0.737 CA 1.455 36 residues pruned to eliminate duplicates Z: 38 20.360 2.037 0.571 0.407 0.865 0.486 CB 1.334 37 residues pruned to eliminate duplicates Z: 17 25.148 2.050 1.223 0.888 0.875 0.688 CB 1.136 17 residues pruned to eliminate duplicates Z: 14 13.443 2.065 0.476 0.447 0.923 0.615 CB 1.400 14 residues pruned to eliminate duplicates Z: 25 21.461 2.050 0.812 0.505 0.875 0.667 CB 1.341 25 residues pruned to eliminate duplicates Z: 22 12.904 1.939 0.326 0.471 0.810 0.619 CB 1.393 22 residues pruned to eliminate duplicates Z: 7 10.527 1.726 0.387 0.791 1.000 0.667 CA 1.390 7 residues pruned to eliminate duplicates Z: 13 29.862 2.284 0.740 0.910 1.000 0.750 CB 1.538 13 residues pruned to eliminate duplicates Z: 17 20.087 1.968 0.906 0.669 0.938 0.500 CA 1.222 17 residues pruned to eliminate duplicates Z: 16 26.009 2.089 0.714 0.913 0.933 0.667 CB 1.422 16 residues pruned to eliminate duplicates Z: 19 29.829 2.070 0.870 0.914 0.889 0.833 CA 1.445 19 residues pruned to eliminate duplicates Z: 11 32.892 2.357 0.897 0.926 1.000 0.900 CA 1.632 11 residues pruned to eliminate duplicates Z: 7 8.151 1.981 0.873 0.397 0.667 0.500 CA 1.500 7 residues pruned to eliminate duplicates Z: 38 17.130 1.905 0.491 0.364 0.865 0.378 CB 1.326 9 residues pruned to eliminate duplicates Z: 12 19.047 1.911 0.925 0.901 0.909 0.636 CA 1.226 12 residues pruned to eliminate duplicates Z: 22 16.319 1.919 0.442 0.571 0.952 0.619 CA 1.262 22 residues pruned to eliminate duplicates Z: 12 39.167 2.354 1.048 0.935 1.000 0.909 CA 1.707 12 residues pruned to eliminate duplicates Z: 22 22.007 2.053 0.504 0.488 0.952 0.619 CA 1.654 22 residues pruned to eliminate duplicates Z: 15 16.128 1.903 0.285 0.865 1.000 0.857 CA 1.291 15 residues pruned to eliminate duplicates Z: 21 8.318 1.750 0.576 0.259 0.700 0.350 CA 1.269 21 residues pruned to eliminate duplicates Z: 17 17.817 1.789 0.503 0.868 1.000 0.625 CA 1.211 17 residues pruned to eliminate duplicates Z: 59 43.833 2.190 0.790 0.583 0.931 0.569 CB 1.455 48 residues pruned to eliminate duplicates Z: 18 44.834 2.283 1.044 0.938 1.000 0.647 CB 1.620 18 residues pruned to eliminate duplicates Z: 12 17.316 1.915 0.681 0.875 0.909 0.727 CA 1.297 12 residues pruned to eliminate duplicates Z: 13 25.204 2.143 0.721 0.918 1.000 0.917 CA 1.391 13 residues pruned to eliminate duplicates Z: 55 17.466 1.818 0.617 0.336 0.759 0.444 CB 1.273 39 residues pruned to eliminate duplicates Z: 16 18.420 1.944 0.426 0.942 1.000 0.933 CA 1.190 16 residues pruned to eliminate duplicates Z: 8 10.464 2.117 -0.056 0.919 1.000 1.000 CA 1.394 7 residues pruned to eliminate duplicates Z: 20 24.646 1.968 0.575 0.856 1.000 0.789 CB 1.345 20 residues pruned to eliminate duplicates Z: 9 9.609 1.880 0.288 0.748 0.875 0.750 CB 1.284 9 residues pruned to eliminate duplicates Z: 63 52.222 2.120 0.906 0.683 0.935 0.548 CB 1.483 63 residues pruned to eliminate duplicates Z: 21 16.944 2.058 0.590 0.475 0.900 0.600 CA 1.319 21 residues pruned to eliminate duplicates Z: 11 14.891 1.998 0.507 0.838 0.900 0.600 CA 1.298 11 residues pruned to eliminate duplicates Z: 35 29.267 2.133 0.719 0.563 0.912 0.588 CB 1.412 28 residues pruned to eliminate duplicates Z: 10 8.823 1.650 0.271 0.798 1.000 0.556 CB 1.080 10 residues pruned to eliminate duplicates Z: 19 25.752 2.078 0.914 0.832 0.889 0.667 CB 1.289 19 residues pruned to eliminate duplicates Z: 69 37.131 2.096 0.600 0.577 0.897 0.647 CB 1.389 56 residues pruned to eliminate duplicates Z: 10 18.093 1.951 0.873 0.862 1.000 0.667 CA 1.211 10 residues pruned to eliminate duplicates Z: 11 18.202 2.173 0.414 0.874 0.900 0.800 CB 1.514 11 residues pruned to eliminate duplicates Z: 12 36.088 2.312 1.028 0.934 1.000 0.727 CA 1.618 12 residues pruned to eliminate duplicates Z: 8 5.378 1.716 0.132 0.388 0.857 0.571 CB 1.374 Z: 16 21.825 2.116 0.834 0.647 0.867 0.733 CA 1.460 16 residues pruned to eliminate duplicates Z: 10 8.903 1.887 0.207 0.780 0.889 0.667 CA 1.146 10 residues pruned to eliminate duplicates Z: 7 11.938 2.018 0.534 0.811 1.000 0.667 CB 1.201 7 residues pruned to eliminate duplicates Z: 28 14.986 1.967 0.624 0.421 0.889 0.593 CB 1.103 32 residues pruned to eliminate duplicates Z: 7 8.858 1.731 0.827 0.638 0.833 0.667 CB 1.206 Z: 15 17.858 2.096 0.232 0.932 1.000 0.857 CA 1.291 15 residues pruned to eliminate duplicates Z: 16 15.138 1.885 0.555 0.628 0.933 0.667 CA 1.266 16 residues pruned to eliminate duplicates Z: 20 27.202 2.193 0.496 0.882 0.947 0.737 CA 1.453 20 residues pruned to eliminate duplicates Z: 14 15.477 1.878 0.325 0.820 0.923 0.615 CB 1.416 14 residues pruned to eliminate duplicates Z: 10 7.283 1.951 0.054 0.601 0.778 0.778 CB 1.378 10 residues pruned to eliminate duplicates Z: 12 17.241 2.262 0.455 0.891 0.909 0.909 CA 1.249 12 residues pruned to eliminate duplicates Z: 26 21.548 1.942 0.661 0.547 0.920 0.600 CB 1.388 26 residues pruned to eliminate duplicates Z: 27 21.329 1.946 0.809 0.500 0.885 0.615 CB 1.343 29 residues pruned to eliminate duplicates Z: 6 10.176 1.608 0.759 0.725 1.000 0.600 CA 1.314 6 residues pruned to eliminate duplicates Z: 38 15.753 1.927 0.366 0.377 0.892 0.486 CB 1.258 38 residues pruned to eliminate duplicates Z: 12 31.147 2.234 1.095 0.943 1.000 1.000 CA 1.391 12 residues pruned to eliminate duplicates Z: 12 32.044 2.288 0.921 0.931 1.000 0.545 CA 1.536 12 residues pruned to eliminate duplicates Z: 19 21.348 1.714 0.690 0.896 1.000 0.833 CA 1.244 19 residues pruned to eliminate duplicates Z: 13 22.344 2.232 0.493 0.902 0.917 0.917 CA 1.506 13 residues pruned to eliminate duplicates Z: 8 9.400 1.698 0.416 0.900 1.000 0.714 CB 1.056 8 residues pruned to eliminate duplicates Z: 14 11.132 1.908 0.618 0.512 0.769 0.385 CB 1.284 14 residues pruned to eliminate duplicates Z: 16 29.691 2.040 0.788 0.905 1.000 0.733 CA 1.496 16 residues pruned to eliminate duplicates Z: 45 24.972 1.845 0.644 0.555 0.932 0.568 CB 1.262 45 residues pruned to eliminate duplicates Z: 7 6.671 1.641 0.268 0.816 1.000 0.667 CA 0.994 7 residues pruned to eliminate duplicates Z: 10 17.504 1.902 0.616 0.851 1.000 0.778 CB 1.405 10 residues pruned to eliminate duplicates Z: 13 11.150 1.655 0.756 0.599 1.000 0.833 CB 1.008 Z: 7 10.631 1.821 0.816 0.418 1.000 0.500 CB 1.430 7 residues pruned to eliminate duplicates Z: 61 54.368 2.149 0.955 0.700 0.950 0.633 CB 1.465 61 residues pruned to eliminate duplicates Z: 20 14.119 1.936 0.412 0.509 0.895 0.526 CB 1.312 20 residues pruned to eliminate duplicates Z: 12 31.711 2.265 1.269 0.943 1.000 0.909 CA 1.289 12 residues pruned to eliminate duplicates Z: 12 35.653 2.279 1.254 0.937 0.909 0.455 CB 1.602 12 residues pruned to eliminate duplicates Z: 14 31.106 2.301 0.896 0.932 0.923 0.769 CB 1.496 14 residues pruned to eliminate duplicates Z: 29 24.306 2.074 0.470 0.641 0.964 0.643 CA 1.370 29 residues pruned to eliminate duplicates Z: 11 8.588 1.663 0.556 0.911 1.000 0.900 CA 0.743 11 residues pruned to eliminate duplicates Z: 20 21.397 1.987 0.511 0.896 0.947 0.842 CB 1.236 20 residues pruned to eliminate duplicates Z: 22 14.445 1.913 0.509 0.508 0.905 0.619 CB 1.196 6 residues pruned to eliminate duplicates Z: 13 7.870 1.887 0.294 0.446 0.917 0.583 CA 1.073 13 residues pruned to eliminate duplicates Z: 41 19.359 1.975 0.593 0.407 0.775 0.450 CB 1.384 23 residues pruned to eliminate duplicates Z: 38 26.929 2.070 0.916 0.547 0.865 0.486 CB 1.233 38 residues pruned to eliminate duplicates Z: 13 14.641 2.093 0.790 0.898 0.917 0.667 CB 0.881 13 residues pruned to eliminate duplicates Z: 25 20.973 1.918 0.595 0.633 0.917 0.708 CB 1.348 26 residues pruned to eliminate duplicates Z: 9 3.017 1.592 0.720 0.186 0.750 0.500 CB 0.757 Z: 11 21.250 2.004 0.833 0.915 1.000 0.900 CA 1.293 11 residues pruned to eliminate duplicates Z: 18 16.620 2.120 0.573 0.527 0.882 0.706 CB 1.333 18 residues pruned to eliminate duplicates Z: 6 3.481 1.711 0.477 0.454 0.800 0.600 CA 0.807 Z: 39 20.062 1.747 0.557 0.595 0.974 0.579 CB 1.122 42 residues pruned to eliminate duplicates Z: 15 18.655 1.836 0.702 0.928 1.000 0.643 CB 1.117 16 residues pruned to eliminate duplicates Z: 48 19.990 1.939 0.573 0.386 0.830 0.617 CB 1.300 49 residues pruned to eliminate duplicates Z: 7 6.901 1.733 0.063 0.781 1.000 0.667 CB 1.194 Z: 36 31.005 2.139 0.637 0.580 0.971 0.571 CB 1.426 36 residues pruned to eliminate duplicates Z: 9 16.477 2.074 0.822 0.922 1.000 1.000 CA 1.084 9 residues pruned to eliminate duplicates Z: 15 14.383 1.898 0.223 0.851 0.857 0.571 CB 1.430 15 residues pruned to eliminate duplicates Z: 9 9.064 1.846 0.553 0.775 0.875 0.625 CB 1.002 9 residues pruned to eliminate duplicates Z: 57 38.495 2.146 0.743 0.570 0.929 0.643 CB 1.384 57 residues pruned to eliminate duplicates Z: 21 21.485 1.943 0.548 0.875 0.900 0.800 CA 1.291 21 residues pruned to eliminate duplicates Z: 12 34.286 2.295 0.928 0.943 1.000 0.909 CA 1.618 12 residues pruned to eliminate duplicates Z: 12 14.966 1.895 0.614 0.873 0.909 0.909 CA 1.182 12 residues pruned to eliminate duplicates Z: 55 31.906 1.877 0.733 0.658 0.981 0.722 CB 1.175 54 residues pruned to eliminate duplicates Z: 6 7.707 1.662 0.181 0.837 1.000 0.800 CB 1.313 5 residues pruned to eliminate duplicates Z: 36 22.092 2.064 0.490 0.461 0.886 0.600 CB 1.427 36 residues pruned to eliminate duplicates Z: 22 32.642 2.110 0.860 0.845 0.905 0.619 CA 1.491 22 residues pruned to eliminate duplicates Z: 8 8.135 1.855 0.680 0.535 1.000 0.571 CB 0.953 8 residues pruned to eliminate duplicates Z: 16 24.672 2.013 1.089 0.929 1.000 0.533 CB 1.060 16 residues pruned to eliminate duplicates Z: 10 25.477 2.054 0.906 0.913 1.000 0.778 CB 1.535 10 residues pruned to eliminate duplicates Z: 19 24.550 2.078 0.595 0.902 0.889 0.778 CB 1.402 19 residues pruned to eliminate duplicates Z: 12 6.706 1.584 0.961 0.349 0.818 0.545 CB 0.936 Z: 43 18.202 1.764 0.630 0.443 0.881 0.548 CB 1.176 43 residues pruned to eliminate duplicates Z: 9 21.186 1.998 1.221 0.891 0.875 0.375 CB 1.387 9 residues pruned to eliminate duplicates Z: 14 30.623 2.124 0.980 0.842 1.000 0.846 CA 1.505 14 residues pruned to eliminate duplicates Z: 9 9.864 1.731 0.286 0.885 1.000 0.625 CB 1.131 9 residues pruned to eliminate duplicates Z: 13 15.792 2.179 0.207 0.920 1.000 0.917 CA 1.221 13 residues pruned to eliminate duplicates Z: 21 27.763 1.973 0.797 0.896 1.000 0.850 CA 1.254 21 residues pruned to eliminate duplicates Z: 16 15.719 1.772 0.578 0.874 1.000 0.800 CB 1.057 16 residues pruned to eliminate duplicates Z: 29 19.548 1.897 0.543 0.498 0.893 0.571 CB 1.417 29 residues pruned to eliminate duplicates Z: 12 35.224 2.263 1.292 0.929 1.000 0.636 CA 1.433 12 residues pruned to eliminate duplicates Z: 7 6.845 1.692 0.385 0.818 1.000 0.833 CA 0.905 7 residues pruned to eliminate duplicates Z: 21 28.790 1.965 1.191 0.833 1.000 0.500 CB 1.121 21 residues pruned to eliminate duplicates Z: 8 8.653 1.793 0.809 0.865 1.000 0.429 CB 0.739 8 residues pruned to eliminate duplicates Z: 9 3.983 1.448 0.110 0.370 0.875 0.375 CB 1.151 Z: 15 10.633 1.574 0.642 0.610 0.929 0.500 CB 1.067 Z: 11 17.970 1.983 0.558 0.890 1.000 1.000 CA 1.324 11 residues pruned to eliminate duplicates Z: 9 6.045 1.609 -0.105 0.846 1.000 0.750 CB 1.102 Z: 8 3.738 1.643 0.208 0.355 0.714 0.714 N 1.165 8 residues pruned to eliminate duplicates Z: 24 10.749 1.860 0.411 0.466 0.826 0.609 CB 1.071 24 residues pruned to eliminate duplicates Z: 11 16.876 1.924 0.698 0.925 1.000 0.900 CA 1.146 11 residues pruned to eliminate duplicates Z: 6 9.356 1.821 0.446 0.650 1.000 0.800 CB 1.381 6 residues pruned to eliminate duplicates Z: 11 13.600 1.896 0.754 0.659 0.900 0.800 CA 1.239 11 residues pruned to eliminate duplicates Z: 16 12.711 1.777 0.124 0.922 1.000 0.800 CB 1.156 16 residues pruned to eliminate duplicates Z: 25 17.375 1.856 0.789 0.609 0.958 0.667 CB 1.005 25 residues pruned to eliminate duplicates Z: 30 16.929 1.791 0.450 0.662 0.897 0.621 CB 1.162 30 residues pruned to eliminate duplicates Z: 7 5.840 1.672 0.269 0.503 0.833 0.333 N 1.344 Z: 32 17.415 1.845 0.491 0.607 0.871 0.581 CB 1.178 32 residues pruned to eliminate duplicates Z: 11 10.491 1.830 0.535 0.552 0.900 0.800 CB 1.248 11 residues pruned to eliminate duplicates Z: 10 8.544 1.781 0.371 0.587 0.778 0.444 CA 1.380 8 residues pruned to eliminate duplicates Z: 17 19.057 1.978 0.674 0.650 0.875 0.688 CB 1.431 17 residues pruned to eliminate duplicates Z: 6 3.384 1.729 0.724 0.298 0.600 0.600 CB 1.060 Z: 15 14.612 1.656 0.437 0.814 1.000 0.857 CB 1.249 9 residues pruned to eliminate duplicates Z: 38 18.764 2.027 0.467 0.423 0.838 0.432 CB 1.341 38 residues pruned to eliminate duplicates Z: 13 25.389 2.268 0.530 0.897 1.000 0.833 CA 1.512 13 residues pruned to eliminate duplicates Z: 24 21.979 1.836 0.963 0.612 0.957 0.696 CB 1.196 24 residues pruned to eliminate duplicates Z: 21 18.548 1.981 0.567 0.639 0.950 0.550 CA 1.235 21 residues pruned to eliminate duplicates Z: 6 5.532 1.741 0.241 0.494 0.800 0.600 CB 1.439 6 residues pruned to eliminate duplicates Z: 17 12.045 1.766 0.778 0.374 0.875 0.438 CB 1.254 17 residues pruned to eliminate duplicates Z: 16 14.334 1.871 0.294 0.827 0.933 0.533 CA 1.234 16 residues pruned to eliminate duplicates Z: 8 8.024 1.755 0.531 0.798 0.714 0.714 CB 1.217 10 residues pruned to eliminate duplicates Z: 17 18.291 1.848 0.419 0.850 1.000 0.875 CA 1.292 17 residues pruned to eliminate duplicates Z: 14 17.927 2.077 0.766 0.922 1.000 0.923 CB 0.953 14 residues pruned to eliminate duplicates Z: 11 14.091 1.862 0.567 0.886 0.900 0.600 CA 1.224 11 residues pruned to eliminate duplicates Z: 11 11.364 1.783 0.443 0.697 0.900 0.800 CB 1.297 11 residues pruned to eliminate duplicates Z: 13 27.331 2.307 0.561 0.934 1.000 0.917 CA 1.528 13 residues pruned to eliminate duplicates Z: 21 23.980 1.983 0.629 0.792 0.950 0.600 CA 1.352 21 residues pruned to eliminate duplicates Z: 17 16.684 1.655 0.552 0.871 1.000 0.875 CB 1.185 15 residues pruned to eliminate duplicates Z: 15 12.681 1.754 0.664 0.555 0.929 0.571 CB 1.186 15 residues pruned to eliminate duplicates Z: 18 14.039 1.819 0.243 0.860 1.000 0.941 CA 1.108 18 residues pruned to eliminate duplicates Z: 11 11.947 2.033 0.133 0.605 0.900 0.900 CB 1.650 11 residues pruned to eliminate duplicates Z: 7 7.108 1.735 0.108 0.863 0.833 0.500 CB 1.329 7 residues pruned to eliminate duplicates Z: 21 9.985 1.750 0.612 0.415 0.850 0.650 CB 1.017 21 residues pruned to eliminate duplicates Z: 6 11.951 1.924 0.411 0.793 1.000 0.800 CA 1.522 6 residues pruned to eliminate duplicates Z: 9 15.885 1.914 0.714 0.872 0.875 0.250 CB 1.426 9 residues pruned to eliminate duplicates Z: 17 14.127 1.775 0.436 0.848 0.938 0.938 CA 1.096 17 residues pruned to eliminate duplicates Z: 21 20.969 2.030 0.700 0.520 0.950 0.600 CA 1.402 21 residues pruned to eliminate duplicates Z: 13 8.541 1.597 0.522 0.597 0.833 0.667 CB 1.110 13 residues pruned to eliminate duplicates Z: 15 16.514 2.049 1.002 0.409 0.857 0.786 CB 1.381 15 residues pruned to eliminate duplicates Z: 18 28.925 2.001 1.071 0.897 0.941 0.765 CA 1.288 18 residues pruned to eliminate duplicates Z: 28 26.211 2.143 0.734 0.594 0.889 0.630 CB 1.396 28 residues pruned to eliminate duplicates Z: 17 29.770 2.054 1.070 0.921 0.875 0.562 CA 1.408 17 residues pruned to eliminate duplicates Z: 15 11.123 1.621 0.908 0.918 1.000 0.429 CB 0.678 Z: 26 18.592 1.841 0.600 0.564 0.880 0.640 CA 1.348 26 residues pruned to eliminate duplicates Z: 17 19.837 2.000 0.297 0.929 1.000 0.875 CA 1.338 17 residues pruned to eliminate duplicates Z: 37 20.863 2.021 0.515 0.441 0.889 0.639 CB 1.358 40 residues pruned to eliminate duplicates Z: 29 17.773 1.952 0.601 0.435 0.857 0.607 CB 1.341 29 residues pruned to eliminate duplicates Z: 39 20.976 1.995 0.655 0.374 0.789 0.526 CA 1.493 36 residues pruned to eliminate duplicates Z: 15 11.021 1.766 0.464 0.528 0.786 0.429 CB 1.411 15 residues pruned to eliminate duplicates Z: 8 8.150 1.608 0.316 0.863 1.000 0.857 CA 1.068 7 residues pruned to eliminate duplicates Z: 22 12.396 1.911 0.502 0.473 0.810 0.667 CB 1.197 22 residues pruned to eliminate duplicates Z: 10 13.510 1.894 0.658 0.660 1.000 0.889 CA 1.236 10 residues pruned to eliminate duplicates Z: 28 21.652 1.936 0.654 0.513 0.963 0.556 CB 1.334 28 residues pruned to eliminate duplicates Z: 17 12.815 1.654 0.355 0.902 1.000 0.875 CB 1.020 17 residues pruned to eliminate duplicates Z: 6 7.535 1.881 0.577 0.663 1.000 1.000 CB 0.977 Z: 9 6.103 1.725 0.051 0.746 0.875 0.750 CA 1.092 9 residues pruned to eliminate duplicates Z: 56 23.593 1.851 0.567 0.626 0.927 0.655 CB 1.050 56 residues pruned to eliminate duplicates Z: 10 6.179 1.711 0.058 0.762 0.778 0.556 CA 1.159 10 residues pruned to eliminate duplicates Z: 7 6.535 1.726 -0.001 0.849 1.000 1.000 CB 1.147 7 residues pruned to eliminate duplicates Z: 10 12.546 1.867 0.868 0.469 1.000 0.667 CA 1.238 9 residues pruned to eliminate duplicates Z: 15 16.252 1.733 0.487 0.897 0.929 0.643 CB 1.300 16 residues pruned to eliminate duplicates Z: 16 20.241 1.855 0.631 0.877 0.933 0.667 CA 1.345 16 residues pruned to eliminate duplicates Z: 10 7.429 1.752 0.228 0.461 0.778 0.667 CA 1.540 Z: 12 17.158 1.904 0.742 0.923 1.000 0.727 CA 1.095 12 residues pruned to eliminate duplicates Z: 10 9.292 1.710 0.702 0.660 1.000 0.778 CB 0.917 10 residues pruned to eliminate duplicates Z: 15 19.917 2.114 1.109 0.420 0.929 0.500 CA 1.397 15 residues pruned to eliminate duplicates Z: 15 7.617 1.583 0.680 0.446 0.857 0.500 CB 0.944 15 residues pruned to eliminate duplicates Z: 24 12.940 1.815 0.404 0.505 0.913 0.652 CB 1.154 24 residues pruned to eliminate duplicates Z: 6 4.398 1.619 0.504 0.492 0.800 0.600 CB 1.017 Z: 20 28.574 2.127 0.566 0.941 1.000 0.895 CA 1.365 20 residues pruned to eliminate duplicates Z: 17 17.234 1.846 0.418 0.893 0.938 0.875 CA 1.261 17 residues pruned to eliminate duplicates Z: 6 5.434 1.731 -0.157 0.696 1.000 0.600 C 1.392 6 residues pruned to eliminate duplicates Z: 35 26.574 1.976 0.617 0.594 0.912 0.588 CB 1.429 65 residues pruned to eliminate duplicates Z: 10 11.721 1.898 0.772 0.627 0.778 0.556 CB 1.325 10 residues pruned to eliminate duplicates Z: 11 11.941 1.779 0.441 0.676 1.000 0.900 CA 1.253 13 residues pruned to eliminate duplicates Z: 7 5.006 1.647 0.234 0.313 1.000 0.500 C 1.237 Z: 17 17.418 1.672 0.615 0.845 0.938 0.875 CB 1.279 16 residues pruned to eliminate duplicates Z: 11 15.217 1.975 0.761 0.820 1.000 0.300 CA 1.048 11 residues pruned to eliminate duplicates Z: 6 7.522 1.785 0.491 0.811 1.000 0.600 CB 0.964 6 residues pruned to eliminate duplicates Z: 9 4.913 1.883 0.346 0.447 0.625 0.375 CB 1.158 9 residues pruned to eliminate duplicates Z: 15 13.677 1.796 0.467 0.899 0.929 0.714 CB 1.068 15 residues pruned to eliminate duplicates Z: 6 6.067 1.896 0.137 0.574 1.000 0.600 CB 1.172 Z: 20 18.795 1.999 0.316 0.872 0.895 0.737 CA 1.336 20 residues pruned to eliminate duplicates Z: 35 15.583 1.974 0.423 0.374 0.882 0.471 CB 1.234 35 residues pruned to eliminate duplicates Z: 6 2.893 1.272 0.085 0.784 1.000 1.000 N 0.730 7 residues pruned to eliminate duplicates Z: 11 8.605 1.825 0.454 0.394 0.800 0.600 N 1.433 11 residues pruned to eliminate duplicates Z: 28 12.922 1.672 0.519 0.431 0.926 0.593 CB 1.136 24 residues pruned to eliminate duplicates Z: 12 8.294 1.852 0.319 0.357 0.909 0.364 CA 1.314 11 residues pruned to eliminate duplicates Z: 14 23.755 2.047 0.646 0.858 1.000 0.538 CB 1.440 14 residues pruned to eliminate duplicates Z: 38 15.632 1.982 0.509 0.318 0.811 0.459 CB 1.296 39 residues pruned to eliminate duplicates Z: 6 3.318 1.651 0.179 0.461 0.800 0.400 N 0.991 Z: 34 23.674 1.955 0.726 0.527 0.909 0.606 CA 1.308 34 residues pruned to eliminate duplicates Z: 16 16.795 1.850 0.534 0.905 1.000 0.867 CA 1.088 16 residues pruned to eliminate duplicates Z: 14 14.641 1.931 0.527 0.679 0.923 0.846 CA 1.266 Z: 17 20.572 1.851 0.595 0.901 1.000 0.812 CA 1.243 17 residues pruned to eliminate duplicates Z: 12 9.355 1.687 0.294 0.619 0.909 0.636 CA 1.270 12 residues pruned to eliminate duplicates Z: 14 9.134 1.603 0.498 0.848 0.923 0.846 CB 0.848 14 residues pruned to eliminate duplicates Z: 6 3.249 1.546 0.354 0.276 1.000 0.400 C 0.895 Z: 6 5.707 1.859 0.478 0.656 0.800 0.600 CA 1.005 6 residues pruned to eliminate duplicates Z: 11 7.680 1.845 0.633 0.330 0.900 0.400 CB 1.079 11 residues pruned to eliminate duplicates Z: 12 10.728 1.780 0.477 0.554 0.909 0.636 CB 1.285 12 residues pruned to eliminate duplicates Z: 15 10.857 1.714 0.190 0.917 1.000 1.000 CB 1.004 15 residues pruned to eliminate duplicates Z: 28 21.967 1.942 0.645 0.551 0.963 0.556 CB 1.308 28 residues pruned to eliminate duplicates Z: 12 29.933 2.279 0.841 0.905 1.000 0.727 CB 1.531 12 residues pruned to eliminate duplicates Z: 19 23.626 2.034 0.706 0.905 0.944 0.667 CB 1.210 19 residues pruned to eliminate duplicates Z: 14 9.450 1.652 0.511 0.910 1.000 0.615 CB 0.745 14 residues pruned to eliminate duplicates Z: 6 5.373 1.502 0.159 0.846 1.000 0.600 CA 1.025 6 residues pruned to eliminate duplicates Z: 13 7.237 1.638 0.651 0.917 1.000 0.417 CB 0.545 13 residues pruned to eliminate duplicates Z: 40 14.116 1.748 0.372 0.453 0.795 0.564 CB 1.244 82 residues pruned to eliminate duplicates Z: 26 17.782 1.998 0.705 0.460 0.920 0.640 CB 1.182 26 residues pruned to eliminate duplicates Z: 20 14.007 1.932 0.537 0.407 0.895 0.474 CB 1.333 20 residues pruned to eliminate duplicates Z: 13 6.252 1.567 0.676 0.464 0.750 0.500 CA 0.951 Z: 13 10.876 1.835 0.579 0.502 0.833 0.500 CB 1.297 13 residues pruned to eliminate duplicates Z: 11 29.166 2.313 1.027 0.883 0.900 0.200 CB 1.581 11 residues pruned to eliminate duplicates Z: 10 13.283 1.835 0.807 0.653 1.000 0.778 CB 1.158 13 residues pruned to eliminate duplicates Z: 12 6.443 1.567 0.631 0.273 0.818 0.364 N 1.201 12 residues pruned to eliminate duplicates Z: 13 12.984 1.819 0.877 0.556 0.917 0.833 CB 1.134 13 residues pruned to eliminate duplicates Z: 15 15.535 1.705 0.644 0.647 1.000 0.357 CB 1.291 15 residues pruned to eliminate duplicates Z: 9 6.641 1.718 0.774 0.393 0.875 0.625 CA 0.985 9 residues pruned to eliminate duplicates Z: 25 32.736 2.138 1.056 0.703 0.917 0.458 CB 1.379 25 residues pruned to eliminate duplicates Z: 12 15.053 1.850 0.674 0.701 0.909 0.727 CA 1.342 12 residues pruned to eliminate duplicates Z: 12 6.833 1.749 0.135 0.412 0.818 0.545 CB 1.391 12 residues pruned to eliminate duplicates Z: 20 23.223 2.134 0.441 0.886 1.000 0.842 CA 1.250 20 residues pruned to eliminate duplicates Z: 8 5.214 1.689 0.543 0.383 1.000 0.429 CB 0.857 Z: 20 16.268 1.805 0.537 0.800 0.947 0.579 CB 1.092 20 residues pruned to eliminate duplicates Z: 17 13.776 1.743 0.392 0.906 1.000 0.875 CB 1.010 16 residues pruned to eliminate duplicates Z: 13 14.430 1.904 0.234 0.849 1.000 0.833 CB 1.315 13 residues pruned to eliminate duplicates Z: 19 23.554 2.021 0.629 0.914 0.944 0.722 CB 1.263 19 residues pruned to eliminate duplicates Z: 17 24.505 2.209 0.827 0.589 0.938 0.688 CB 1.486 17 residues pruned to eliminate duplicates Z: 41 19.333 1.937 0.485 0.430 0.875 0.600 CB 1.306 41 residues pruned to eliminate duplicates Z: 6 7.927 1.794 0.396 0.625 1.000 0.800 CB 1.258 6 residues pruned to eliminate duplicates Z: 7 5.020 1.622 0.435 0.607 0.667 0.333 CB 1.193 Z: 9 5.183 1.548 0.440 0.405 0.875 0.500 CB 1.038 9 residues pruned to eliminate duplicates Z: 44 38.153 2.141 0.786 0.664 0.907 0.535 CB 1.441 44 residues pruned to eliminate duplicates Z: 13 21.752 2.058 0.937 0.896 0.917 0.250 CB 1.231 13 residues pruned to eliminate duplicates Z: 22 14.698 1.847 0.574 0.509 0.952 0.619 CB 1.149 22 residues pruned to eliminate duplicates Z: 11 15.968 1.922 0.798 0.904 1.000 0.900 CA 1.041 11 residues pruned to eliminate duplicates Z: 7 3.617 1.646 -0.269 0.571 1.000 0.667 CB 1.147 Z: 15 12.494 1.899 -0.008 0.891 0.929 0.714 CB 1.372 15 residues pruned to eliminate duplicates Z: 18 17.362 1.724 0.965 0.921 0.941 0.353 CB 0.930 18 residues pruned to eliminate duplicates Z: 16 19.725 1.840 0.650 0.936 1.000 0.867 CB 1.168 16 residues pruned to eliminate duplicates Z: 7 5.449 1.671 0.205 0.499 0.833 0.667 CB 1.327 Z: 17 21.865 1.850 0.644 0.906 1.000 0.812 CA 1.279 17 residues pruned to eliminate duplicates Z: 21 16.016 1.956 0.457 0.577 0.800 0.700 CB 1.459 Z: 15 8.143 1.546 0.416 0.559 0.857 0.643 CA 1.095 12 residues pruned to eliminate duplicates Z: 84 46.173 2.104 0.883 0.575 0.904 0.530 CB 1.318 83 residues pruned to eliminate duplicates Z: 22 14.324 1.875 0.545 0.548 0.857 0.619 CB 1.202 21 residues pruned to eliminate duplicates Z: 43 20.868 1.913 0.569 0.417 0.857 0.476 CB 1.365 47 residues pruned to eliminate duplicates Z: 13 19.485 2.189 0.340 0.918 0.917 0.750 CA 1.475 13 residues pruned to eliminate duplicates Z: 20 17.509 1.905 0.549 0.569 0.947 0.474 CB 1.344 21 residues pruned to eliminate duplicates Z: 32 21.934 1.835 0.450 0.695 1.000 0.677 CB 1.239 32 residues pruned to eliminate duplicates Z: 16 7.361 1.543 0.618 0.413 0.867 0.467 CB 0.963 14 residues pruned to eliminate duplicates Z: 6 3.482 1.447 0.352 0.579 0.800 0.600 CB 0.922 Z: 60 32.036 1.900 0.601 0.604 0.966 0.678 CB 1.286 60 residues pruned to eliminate duplicates Z: 45 31.194 2.097 0.929 0.504 0.773 0.455 CB 1.498 67 residues pruned to eliminate duplicates Z: 10 3.411 1.511 -0.183 0.564 0.889 0.556 CA 0.973 4 residues pruned to eliminate duplicates Z: 27 21.797 2.140 0.410 0.615 0.885 0.654 CB 1.436 27 residues pruned to eliminate duplicates Z: 20 21.838 2.115 0.435 0.892 0.947 0.684 CA 1.252 20 residues pruned to eliminate duplicates Z: 14 27.720 2.265 1.197 0.931 0.923 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 8 4.365 1.749 -0.193 0.524 0.857 0.571 CB 1.332 Z: 7 4.782 1.596 0.539 0.667 1.000 0.500 CA 0.681 7 residues pruned to eliminate duplicates Z: 24 22.751 2.054 0.750 0.437 0.913 0.652 CB 1.542 24 residues pruned to eliminate duplicates Z: 16 14.131 1.678 0.333 0.854 0.933 0.733 CB 1.290 16 residues pruned to eliminate duplicates Z: 10 13.130 1.590 0.853 0.773 0.889 0.778 CA 1.312 10 residues pruned to eliminate duplicates Z: 11 7.047 1.581 0.607 0.696 0.800 0.800 N 0.917 Z: 36 20.855 2.127 0.443 0.496 0.800 0.600 CB 1.442 36 residues pruned to eliminate duplicates Z: 7 4.317 1.497 0.078 0.760 0.833 0.333 CB 1.041 7 residues pruned to eliminate duplicates Z: 6 6.370 1.506 0.486 0.735 1.000 0.400 CA 1.030 6 residues pruned to eliminate duplicates Z: 9 7.659 1.421 0.747 0.680 0.875 0.625 O 1.056 Z: 9 11.365 1.933 0.945 0.367 0.875 0.500 CA 1.410 9 residues pruned to eliminate duplicates Z: 11 4.016 1.587 0.426 0.397 0.800 0.600 CB 0.783 11 residues pruned to eliminate duplicates Z: 14 11.846 1.819 0.283 0.935 1.000 0.923 CB 0.981 14 residues pruned to eliminate duplicates Z: 18 12.612 1.800 0.126 0.890 1.000 0.882 CA 1.086 18 residues pruned to eliminate duplicates Z: 9 9.037 1.791 0.496 0.493 1.000 0.500 CA 1.201 9 residues pruned to eliminate duplicates Z: 19 9.663 1.645 0.542 0.382 0.833 0.444 CA 1.222 19 residues pruned to eliminate duplicates Z: 13 7.467 1.666 0.395 0.431 0.750 0.500 CB 1.328 13 residues pruned to eliminate duplicates Z: 17 15.869 1.786 0.443 0.848 1.000 0.562 CB 1.141 17 residues pruned to eliminate duplicates Z: 7 7.226 1.671 0.538 0.735 0.833 0.500 CB 1.116 7 residues pruned to eliminate duplicates Z: 11 6.172 1.554 0.168 0.429 0.900 0.500 CB 1.285 11 residues pruned to eliminate duplicates Z: 6 7.550 1.510 0.778 0.514 1.000 0.400 N 1.240 Z: 29 15.102 1.881 0.482 0.387 0.893 0.500 CA 1.293 29 residues pruned to eliminate duplicates Z: 13 13.953 1.810 0.675 0.598 0.917 0.750 CA 1.320 19 residues pruned to eliminate duplicates Z: 26 17.168 1.731 0.554 0.626 1.000 0.480 CB 1.133 26 residues pruned to eliminate duplicates Z: 7 7.089 1.649 0.396 0.499 1.000 0.500 CB 1.259 Z: 10 13.164 1.715 0.433 0.807 1.000 0.889 CA 1.366 10 residues pruned to eliminate duplicates Z: 7 6.430 1.680 0.808 0.402 0.667 0.667 C 1.437 7 residues pruned to eliminate duplicates Z: 17 17.280 1.859 0.373 0.856 1.000 0.812 CA 1.249 17 residues pruned to eliminate duplicates Z: 6 3.427 1.633 -0.039 0.298 1.000 0.800 O 1.224 Z: 22 12.936 1.892 0.622 0.462 0.905 0.762 CB 1.057 22 residues pruned to eliminate duplicates Z: 41 31.262 2.097 0.776 0.569 0.900 0.575 CA 1.380 41 residues pruned to eliminate duplicates Z: 14 24.980 2.177 0.510 0.920 1.000 1.000 CB 1.485 14 residues pruned to eliminate duplicates Z: 14 8.190 1.705 0.466 0.420 0.769 0.462 N 1.284 Z: 10 4.338 1.606 0.204 0.391 0.889 0.667 CB 0.945 10 residues pruned to eliminate duplicates Z: 31 13.531 1.736 0.419 0.413 0.833 0.467 CA 1.318 31 residues pruned to eliminate duplicates Z: 7 4.102 1.555 0.562 0.388 0.667 0.500 CB 1.164 Z: 8 5.205 1.413 0.615 0.518 0.857 0.571 CB 0.988 Z: 25 18.976 1.808 0.787 0.451 0.875 0.500 CB 1.441 25 residues pruned to eliminate duplicates Z: 17 9.382 1.783 0.220 0.575 0.938 0.688 CB 1.070 Z: 11 11.738 1.828 0.739 0.546 0.900 0.700 CB 1.241 11 residues pruned to eliminate duplicates Z: 17 15.522 1.855 0.342 0.832 0.938 0.625 CA 1.248 17 residues pruned to eliminate duplicates 6 1.312 1.518 -0.491 0.665 0.800 0.800 CB 0.815 ? Z: 9 8.339 1.590 0.107 0.765 1.000 0.750 CB 1.325 7 residues pruned to eliminate duplicates Z: 20 10.630 1.709 0.743 0.415 0.789 0.526 CA 1.134 14 residues pruned to eliminate duplicates Z: 17 25.385 2.028 0.654 0.880 1.000 0.750 CA 1.371 17 residues pruned to eliminate duplicates Z: 16 12.408 1.851 0.163 0.891 1.000 0.800 CA 1.070 16 residues pruned to eliminate duplicates Z: 17 19.295 1.719 0.892 0.911 1.000 0.688 CB 1.051 17 residues pruned to eliminate duplicates Z: 38 20.512 1.851 0.407 0.577 0.892 0.486 CB 1.348 38 residues pruned to eliminate duplicates Z: 22 34.960 1.996 0.785 0.901 1.000 0.429 CA 1.528 22 residues pruned to eliminate duplicates Z: 11 7.679 1.700 0.604 0.431 0.900 0.400 CB 1.062 11 residues pruned to eliminate duplicates Z: 6 3.600 1.340 0.237 0.635 1.000 0.600 CA 0.856 6 residues pruned to eliminate duplicates Z: 17 23.538 1.991 0.701 0.874 0.938 0.688 CA 1.349 17 residues pruned to eliminate duplicates Z: 65 50.949 2.164 1.138 0.613 0.906 0.531 CB 1.365 64 residues pruned to eliminate duplicates Z: 20 11.563 1.820 0.633 0.376 0.842 0.579 CB 1.210 20 residues pruned to eliminate duplicates Z: 15 12.663 1.841 0.218 0.862 1.000 0.786 CA 1.109 15 residues pruned to eliminate duplicates Z: 12 6.316 1.663 0.392 0.439 0.818 0.545 CA 1.071 12 residues pruned to eliminate duplicates Z: 16 19.369 1.840 0.450 0.891 1.000 0.867 CB 1.347 16 residues pruned to eliminate duplicates Z: 10 19.578 2.244 0.485 0.643 1.000 0.889 CA 1.713 10 residues pruned to eliminate duplicates Z: 17 16.369 1.818 0.527 0.804 1.000 0.688 CB 1.130 17 residues pruned to eliminate duplicates Z: 6 2.956 1.483 0.326 0.496 0.800 0.600 N 0.844 Z: 8 13.568 1.880 0.804 0.759 1.000 0.857 CB 1.201 8 residues pruned to eliminate duplicates Z: 11 6.453 1.768 0.435 0.372 0.800 0.400 CB 1.153 11 residues pruned to eliminate duplicates Z: 14 11.639 1.685 0.301 0.809 0.923 0.538 CA 1.218 14 residues pruned to eliminate duplicates Z: 62 31.935 2.025 0.760 0.503 0.885 0.557 CB 1.291 62 residues pruned to eliminate duplicates Z: 17 8.627 1.723 0.245 0.413 0.938 0.625 CB 1.175 17 residues pruned to eliminate duplicates Z: 13 27.524 2.044 1.427 0.906 1.000 0.500 CB 1.139 13 residues pruned to eliminate duplicates Z: 6 5.861 2.176 -0.135 0.885 1.000 1.000 CB 1.006 6 residues pruned to eliminate duplicates Z: 10 7.377 1.739 0.437 0.924 0.889 0.889 CB 0.777 10 residues pruned to eliminate duplicates Z: 11 13.570 2.115 0.268 0.456 1.000 0.800 CA 1.673 11 residues pruned to eliminate duplicates Z: 39 23.072 1.970 0.635 0.449 0.921 0.632 CA 1.329 39 residues pruned to eliminate duplicates Z: 14 9.736 1.784 0.505 0.514 0.923 0.385 CB 1.074 14 residues pruned to eliminate duplicates Z: 8 4.291 1.433 -0.042 0.542 1.000 0.571 CB 1.134 8 residues pruned to eliminate duplicates Z: 10 18.297 2.220 0.651 0.897 1.000 0.889 CB 1.191 10 residues pruned to eliminate duplicates Z: 6 3.532 1.463 0.015 0.472 1.000 0.600 O 1.095 Z: 6 3.184 1.510 0.037 0.456 1.000 0.600 CB 0.951 Z: 7 6.894 1.564 0.379 0.695 1.000 0.667 CB 1.093 7 residues pruned to eliminate duplicates Z: 16 17.535 2.178 0.571 0.410 1.000 0.533 CA 1.454 16 residues pruned to eliminate duplicates Z: 10 12.413 1.737 0.474 0.794 1.000 0.667 CB 1.249 10 residues pruned to eliminate duplicates Z: 6 3.054 1.559 0.286 0.296 0.800 0.800 N 1.069 Z: 15 9.810 1.716 0.565 0.430 1.000 0.500 CB 1.050 Z: 11 18.819 1.946 0.720 0.911 1.000 1.000 CA 1.260 Z: 19 17.232 1.987 0.224 0.932 0.944 0.833 CB 1.234 19 residues pruned to eliminate duplicates Z: 14 25.245 2.121 0.646 0.912 1.000 0.923 CA 1.421 14 residues pruned to eliminate duplicates Z: 17 14.593 1.713 0.500 0.865 0.938 0.688 CB 1.109 17 residues pruned to eliminate duplicates Z: 9 8.181 1.768 0.478 0.496 0.875 0.750 CA 1.270 9 residues pruned to eliminate duplicates Z: 6 5.731 1.568 0.614 0.668 0.800 0.800 CA 1.084 Z: 19 13.887 2.033 0.553 0.516 0.944 0.833 CB 1.081 19 residues pruned to eliminate duplicates Z: 13 9.248 1.626 0.407 0.596 0.833 0.500 CA 1.277 15 residues pruned to eliminate duplicates Z: 7 2.089 1.348 0.625 0.411 0.833 0.667 N 0.513 7 residues pruned to eliminate duplicates Z: 10 4.441 1.523 0.224 0.386 0.667 0.444 C 1.345 9 residues pruned to eliminate duplicates Z: 8 7.852 1.689 0.476 0.839 0.857 0.571 CB 1.037 8 residues pruned to eliminate duplicates Z: 8 2.639 1.540 0.237 0.173 0.857 0.571 CB 0.908 8 residues pruned to eliminate duplicates Z: 7 4.916 1.463 0.421 0.553 1.000 1.000 CB 0.917 6 residues pruned to eliminate duplicates Z: 23 24.640 2.099 0.778 0.488 0.909 0.773 CA 1.567 40 residues pruned to eliminate duplicates Z: 6 3.317 1.673 -0.188 0.617 0.800 0.600 N 1.222 Z: 6 3.072 1.548 0.383 0.294 0.800 0.600 CA 1.011 Z: 10 14.766 1.800 0.520 0.852 1.000 0.778 CA 1.331 10 residues pruned to eliminate duplicates Z: 11 10.741 1.848 0.818 0.434 0.900 0.700 CA 1.202 Z: 7 5.152 1.647 -0.102 0.851 1.000 0.833 CB 1.052 7 residues pruned to eliminate duplicates Z: 14 20.274 1.892 0.669 0.871 1.000 0.769 CB 1.299 14 residues pruned to eliminate duplicates Z: 6 4.627 1.627 0.029 0.639 1.000 0.400 CA 1.084 6 residues pruned to eliminate duplicates Z: 17 16.995 1.826 0.447 0.901 1.000 0.688 CA 1.148 17 residues pruned to eliminate duplicates Z: 8 3.339 1.571 0.465 0.407 0.714 0.571 CB 0.846 8 residues pruned to eliminate duplicates Z: 35 18.015 1.897 0.400 0.398 0.971 0.500 CA 1.334 35 residues pruned to eliminate duplicates Z: 10 5.158 1.685 0.342 0.501 0.778 0.667 CA 0.977 10 residues pruned to eliminate duplicates Z: 11 6.064 1.601 0.639 0.581 1.000 1.000 CB 0.677 11 residues pruned to eliminate duplicates Z: 18 20.285 1.941 0.559 0.806 0.941 0.765 CB 1.323 18 residues pruned to eliminate duplicates Z: 12 6.246 1.518 0.692 0.491 0.818 0.545 CB 0.905 12 residues pruned to eliminate duplicates Z: 17 18.308 1.947 0.287 0.927 1.000 0.938 CA 1.280 17 residues pruned to eliminate duplicates Z: 33 18.170 2.001 0.478 0.408 0.812 0.438 CB 1.472 33 residues pruned to eliminate duplicates Z: 40 34.749 2.106 0.789 0.687 0.923 0.641 CB 1.347 40 residues pruned to eliminate duplicates Z: 6 2.840 1.693 0.368 0.347 0.600 0.600 CB 1.080 Z: 40 23.660 1.838 0.571 0.657 0.897 0.513 CB 1.264 41 residues pruned to eliminate duplicates Z: 7 4.534 1.573 -0.071 0.753 1.000 0.667 N 1.011 Z: 25 12.179 1.906 0.430 0.419 0.792 0.583 CB 1.253 25 residues pruned to eliminate duplicates Z: 24 9.235 1.794 0.412 0.340 0.783 0.478 CB 1.156 24 residues pruned to eliminate duplicates Z: 10 17.751 1.860 0.879 0.885 1.000 0.667 CA 1.222 10 residues pruned to eliminate duplicates Z: 34 25.353 1.986 0.646 0.593 0.939 0.576 CB 1.316 34 residues pruned to eliminate duplicates 6 1.484 1.255 0.443 0.368 0.800 0.600 O 0.528 ? Z: 12 16.409 1.910 0.414 0.871 1.000 0.636 CB 1.336 12 residues pruned to eliminate duplicates Z: 14 20.059 2.049 0.601 0.834 1.000 0.615 CB 1.271 14 residues pruned to eliminate duplicates Z: 13 4.326 1.478 0.321 0.292 0.750 0.417 CB 1.076 Z: 17 18.950 1.875 0.647 0.723 1.000 0.688 CA 1.254 17 residues pruned to eliminate duplicates Z: 8 8.031 1.680 0.350 0.757 1.000 0.857 CB 1.065 8 residues pruned to eliminate duplicates Z: 10 5.574 1.417 0.533 0.400 0.889 0.556 CB 1.069 Z: 18 13.825 1.888 0.521 0.360 1.000 0.412 CA 1.358 18 residues pruned to eliminate duplicates Z: 12 11.867 1.868 0.553 0.637 0.818 0.727 CB 1.326 12 residues pruned to eliminate duplicates Z: 6 6.215 1.582 0.803 0.651 0.800 0.800 CA 1.058 6 residues pruned to eliminate duplicates Z: 11 11.703 1.789 0.955 0.385 0.900 0.600 CB 1.329 8 residues pruned to eliminate duplicates Z: 12 12.756 1.940 0.638 0.873 1.000 0.636 CB 0.881 12 residues pruned to eliminate duplicates Z: 7 3.669 1.622 0.059 0.799 0.833 0.667 CB 0.805 7 residues pruned to eliminate duplicates Z: 17 17.341 1.854 0.384 0.884 1.000 0.750 CA 1.221 17 residues pruned to eliminate duplicates Z: 9 2.236 1.416 0.196 0.334 0.750 0.500 CB 0.746 Z: 12 8.981 1.667 0.245 0.895 1.000 1.000 CB 0.935 12 residues pruned to eliminate duplicates Z: 9 3.511 1.408 0.329 0.436 0.750 0.375 N 0.945 Z: 17 10.050 1.678 0.572 0.574 0.812 0.250 CB 1.092 17 residues pruned to eliminate duplicates Z: 12 22.548 1.867 1.102 0.896 1.000 0.455 CA 1.240 12 residues pruned to eliminate duplicates Z: 20 21.588 1.972 0.519 0.919 1.000 0.842 CA 1.165 20 residues pruned to eliminate duplicates Z: 27 14.035 1.716 0.528 0.540 0.885 0.654 CB 1.141 26 residues pruned to eliminate duplicates Z: 21 19.691 2.038 0.667 0.502 0.950 0.700 CB 1.362 21 residues pruned to eliminate duplicates Z: 18 19.073 1.912 0.821 0.459 0.941 0.412 CA 1.471 18 residues pruned to eliminate duplicates Z: 8 2.346 1.390 0.576 0.280 0.714 0.429 CA 0.727 Z: 14 14.187 2.077 0.214 0.886 1.000 0.846 CA 1.126 14 residues pruned to eliminate duplicates Z: 12 5.086 1.861 0.244 0.285 0.727 0.727 CB 1.160 11 residues pruned to eliminate duplicates Z: 9 15.566 2.161 1.082 0.434 1.000 0.875 CA 1.309 9 residues pruned to eliminate duplicates Z: 17 10.395 1.880 0.720 0.398 0.750 0.312 CB 1.194 17 residues pruned to eliminate duplicates Z: 6 7.664 1.818 0.181 0.746 1.000 0.800 N 1.281 6 residues pruned to eliminate duplicates Z: 10 2.171 1.778 0.016 0.212 0.667 0.556 CB 0.844 Z: 16 12.449 1.837 0.205 0.901 1.000 1.000 CA 1.036 16 residues pruned to eliminate duplicates Z: 20 5.267 1.340 0.622 0.384 0.684 0.421 CB 0.919 19 residues pruned to eliminate duplicates Z: 36 17.090 1.878 0.644 0.432 0.829 0.457 CB 1.211 36 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.188 1.544 0.987 0.425 1.000 0.600 CA 0.659 6 residues pruned to eliminate duplicates Z: 46 18.686 1.914 0.536 0.361 0.800 0.511 CB 1.376 46 residues pruned to eliminate duplicates Z: 37 22.087 2.013 0.597 0.441 0.833 0.500 CA 1.460 37 residues pruned to eliminate duplicates Z: 11 15.319 2.014 0.978 0.577 0.900 0.800 CB 1.254 11 residues pruned to eliminate duplicates Z: 37 22.056 2.017 0.614 0.438 0.833 0.472 CB 1.445 37 residues pruned to eliminate duplicates Z: 54 18.839 1.905 0.498 0.382 0.811 0.377 CB 1.267 55 residues pruned to eliminate duplicates Z: 6 6.323 1.651 1.120 0.484 1.000 0.400 CA 0.821 6 residues pruned to eliminate duplicates Z: 43 19.513 2.003 0.580 0.389 0.786 0.405 CB 1.361 43 residues pruned to eliminate duplicates Z: 39 21.407 2.014 0.580 0.413 0.842 0.605 CB 1.420 39 residues pruned to eliminate duplicates Z: 40 24.431 1.972 0.717 0.396 0.897 0.564 CB 1.437 40 residues pruned to eliminate duplicates Z: 30 14.516 1.991 0.520 0.359 0.759 0.448 CB 1.366 30 residues pruned to eliminate duplicates Z: 20 11.977 1.923 0.544 0.333 0.842 0.421 CA 1.320 20 residues pruned to eliminate duplicates Z: 38 21.160 2.021 0.542 0.401 0.892 0.514 CB 1.389 38 residues pruned to eliminate duplicates Z: 45 18.639 1.900 0.557 0.367 0.841 0.386 CB 1.302 45 residues pruned to eliminate duplicates Z: 17 12.649 1.947 0.692 0.359 0.812 0.438 CA 1.376 17 residues pruned to eliminate duplicates Z: 20 12.035 1.802 0.549 0.320 0.895 0.368 CB 1.349 20 residues pruned to eliminate duplicates Z: 32 17.289 2.041 0.518 0.377 0.806 0.516 CA 1.417 32 residues pruned to eliminate duplicates Z: 19 12.682 1.904 0.487 0.396 0.944 0.500 CA 1.248 19 residues pruned to eliminate duplicates Z: 25 15.460 1.936 0.544 0.368 0.875 0.417 CB 1.390 25 residues pruned to eliminate duplicates Z: 39 17.964 1.983 0.492 0.353 0.842 0.421 CB 1.371 39 residues pruned to eliminate duplicates Z: 19 12.944 1.875 0.435 0.397 1.000 0.611 CA 1.264 19 residues pruned to eliminate duplicates Z: 26 11.096 1.914 0.499 0.398 0.800 0.480 CB 1.076 26 residues pruned to eliminate duplicates Z: 38 22.912 1.988 0.540 0.480 0.946 0.514 CB 1.327 38 residues pruned to eliminate duplicates Z: 24 14.917 1.821 0.600 0.388 0.870 0.348 CA 1.382 24 residues pruned to eliminate duplicates Z: 15 8.125 1.878 0.288 0.368 0.786 0.500 CA 1.316 15 residues pruned to eliminate duplicates Z: 18 10.700 1.928 0.285 0.341 0.941 0.412 CA 1.323 18 residues pruned to eliminate duplicates Z: 17 8.209 1.634 0.599 0.318 0.875 0.375 CB 1.098 10 residues pruned to eliminate duplicates Z: 6 5.132 1.510 0.620 0.526 0.800 0.400 CB 1.142 6 residues pruned to eliminate duplicates Z: 31 13.110 1.799 0.429 0.325 0.900 0.467 CA 1.255 31 residues pruned to eliminate duplicates Z: 40 16.542 1.779 0.652 0.329 0.821 0.462 CB 1.325 41 residues pruned to eliminate duplicates Z: 7 4.042 1.384 0.550 0.350 1.000 0.667 CB 0.905 7 residues pruned to eliminate duplicates Z: 33 11.069 1.747 0.407 0.311 0.812 0.469 CB 1.207 33 residues pruned to eliminate duplicates Z: 30 11.628 1.790 0.489 0.355 0.793 0.414 CB 1.195 30 residues pruned to eliminate duplicates Z: 51 18.801 1.934 0.494 0.387 0.820 0.560 CB 1.265 51 residues pruned to eliminate duplicates Z: 7 2.726 1.484 0.457 0.372 0.667 0.500 CB 0.885 7 residues pruned to eliminate duplicates Z: 65 25.844 1.901 0.463 0.496 0.891 0.562 CB 1.309 74 residues pruned to eliminate duplicates Z: 8 12.929 1.682 0.921 0.757 1.000 0.857 CB 1.203 8 residues pruned to eliminate duplicates Z: 32 27.873 2.000 0.875 0.674 0.871 0.613 CB 1.305 32 residues pruned to eliminate duplicates Z: 16 18.099 2.020 1.147 0.884 0.933 0.733 CB 0.834 16 residues pruned to eliminate duplicates Z: 56 37.871 2.010 0.716 0.741 0.945 0.600 CB 1.262 67 residues pruned to eliminate duplicates Z: 16 18.493 2.031 1.043 0.863 0.933 0.467 CB 0.905 16 residues pruned to eliminate duplicates Z: 28 24.108 1.935 0.887 0.673 0.852 0.519 CB 1.272 28 residues pruned to eliminate duplicates Z: 28 27.931 2.043 0.650 0.701 0.963 0.593 CB 1.379 28 residues pruned to eliminate duplicates Z: 40 30.385 1.985 0.608 0.706 0.923 0.667 CA 1.370 40 residues pruned to eliminate duplicates Z: 38 30.369 2.064 0.505 0.707 0.892 0.757 CB 1.493 38 residues pruned to eliminate duplicates Z: 39 31.423 2.029 0.496 0.721 0.947 0.684 CB 1.452 39 residues pruned to eliminate duplicates Z: 49 27.446 1.903 0.539 0.609 0.917 0.688 CA 1.331 86 residues pruned to eliminate duplicates Z: 37 34.438 2.022 0.968 0.773 0.944 0.639 CB 1.200 37 residues pruned to eliminate duplicates Z: 29 25.249 2.004 0.622 0.665 0.929 0.714 CB 1.357 29 residues pruned to eliminate duplicates Z: 38 29.920 2.075 0.438 0.708 0.946 0.730 CA 1.443 38 residues pruned to eliminate duplicates Z: 54 36.122 2.042 0.726 0.751 0.925 0.698 CB 1.217 54 residues pruned to eliminate duplicates Z: 43 26.003 1.896 0.472 0.607 0.929 0.643 CA 1.398 43 residues pruned to eliminate duplicates Z: 38 36.047 2.068 0.634 0.728 0.973 0.757 CB 1.467 38 residues pruned to eliminate duplicates Z: 37 31.248 1.990 0.855 0.766 0.944 0.694 CB 1.180 37 residues pruned to eliminate duplicates Z: 52 36.281 2.010 0.746 0.732 0.941 0.667 CB 1.248 52 residues pruned to eliminate duplicates Z: 28 25.496 2.055 0.635 0.678 0.889 0.704 CB 1.395 28 residues pruned to eliminate duplicates Z: 47 28.316 1.954 0.623 0.660 0.891 0.609 CB 1.274 47 residues pruned to eliminate duplicates Z: 52 37.582 2.032 0.717 0.741 0.922 0.608 CB 1.319 52 residues pruned to eliminate duplicates Z: 54 39.241 2.017 0.783 0.766 0.962 0.547 CB 1.231 54 residues pruned to eliminate duplicates Z: 53 35.222 1.984 0.739 0.711 0.923 0.615 CB 1.266 53 residues pruned to eliminate duplicates Z: 43 34.687 1.993 0.655 0.692 0.976 0.595 CB 1.395 43 residues pruned to eliminate duplicates Z: 30 23.030 1.935 0.621 0.636 0.931 0.621 CB 1.289 30 residues pruned to eliminate duplicates Z: 51 29.569 1.942 0.642 0.651 0.900 0.620 CB 1.266 51 residues pruned to eliminate duplicates Z: 28 23.543 2.050 0.516 0.628 0.926 0.630 CB 1.395 28 residues pruned to eliminate duplicates Z: 17 17.724 1.957 0.560 0.642 0.938 0.562 CA 1.355 17 residues pruned to eliminate duplicates Z: 37 33.176 2.087 0.573 0.717 0.972 0.722 CA 1.423 37 residues pruned to eliminate duplicates Z: 18 16.781 1.907 0.555 0.633 0.941 0.588 CA 1.286 18 residues pruned to eliminate duplicates Z: 18 14.237 1.947 0.375 0.603 0.882 0.588 CA 1.325 18 residues pruned to eliminate duplicates Z: 43 28.039 1.931 0.619 0.674 0.905 0.524 CB 1.303 43 residues pruned to eliminate duplicates Z: 12 13.620 2.010 0.193 0.809 1.000 0.727 CA 1.308 Z: 11 18.125 1.967 0.837 0.871 0.900 0.700 CA 1.286 11 residues pruned to eliminate duplicates Z: 11 14.131 1.983 0.321 0.854 1.000 0.700 CA 1.260 11 residues pruned to eliminate duplicates Z: 15 19.068 1.959 0.622 0.767 1.000 0.714 CA 1.266 15 residues pruned to eliminate duplicates Z: 13 17.736 1.773 0.730 0.915 1.000 0.833 CA 1.179 13 residues pruned to eliminate duplicates Z: 39 32.157 2.018 0.638 0.678 0.947 0.816 CB 1.414 51 residues pruned to eliminate duplicates Z: 14 21.515 1.969 0.839 0.775 1.000 0.692 CA 1.292 Z: 12 16.190 1.887 0.721 0.843 0.909 0.545 CA 1.231 12 residues pruned to eliminate duplicates Z: 18 8.651 1.608 0.573 0.467 0.882 0.529 CB 0.973 17 residues pruned to eliminate duplicates Z: 7 6.343 1.529 -0.002 0.810 1.000 0.667 N 1.295 7 residues pruned to eliminate duplicates Z: 6 4.373 1.624 -0.129 0.746 0.800 0.600 CA 1.388 6 residues pruned to eliminate duplicates Z: 7 6.759 1.642 0.311 0.552 1.000 0.333 CB 1.218 7 residues pruned to eliminate duplicates Z: 7 7.146 1.614 0.436 0.665 0.833 0.333 O 1.297 7 residues pruned to eliminate duplicates Z: 18 11.346 1.737 0.327 0.533 0.941 0.588 CB 1.228 19 residues pruned to eliminate duplicates Z: 18 11.956 1.664 0.168 0.901 1.000 0.882 CB 1.065 18 residues pruned to eliminate duplicates Z: 29 20.476 1.814 0.694 0.700 0.929 0.607 CB 1.130 29 residues pruned to eliminate duplicates Z: 29 17.615 1.825 0.417 0.712 0.964 0.643 CB 1.101 29 residues pruned to eliminate duplicates Z: 29 19.736 1.813 0.641 0.725 0.964 0.643 CB 1.061 29 residues pruned to eliminate duplicates Z: 28 23.892 1.841 0.707 0.726 1.000 0.630 CB 1.193 28 residues pruned to eliminate duplicates Z: 15 18.097 1.806 0.667 0.921 1.000 0.643 CB 1.131 15 residues pruned to eliminate duplicates Z: 30 21.426 1.799 0.697 0.723 0.931 0.759 CB 1.145 30 residues pruned to eliminate duplicates Z: 16 20.491 1.794 0.762 0.915 1.000 0.533 CB 1.183 16 residues pruned to eliminate duplicates Z: 29 22.619 1.839 0.704 0.735 0.964 0.643 CB 1.145 29 residues pruned to eliminate duplicates Z: 16 18.393 1.808 0.655 0.911 1.000 0.400 CB 1.125 16 residues pruned to eliminate duplicates Z: 29 19.278 1.803 0.584 0.729 0.929 0.607 CB 1.118 29 residues pruned to eliminate duplicates Z: 29 16.685 1.811 0.555 0.710 0.857 0.607 CB 1.079 29 residues pruned to eliminate duplicates Z: 29 19.981 1.833 0.530 0.736 0.964 0.786 CB 1.130 29 residues pruned to eliminate duplicates Z: 15 15.176 1.808 0.542 0.910 1.000 0.714 CB 1.032 15 residues pruned to eliminate duplicates Z: 30 20.360 1.810 0.639 0.702 0.966 0.759 CB 1.098 30 residues pruned to eliminate duplicates Z: 13 10.194 1.888 0.542 0.476 0.917 0.750 CB 1.130 13 residues pruned to eliminate duplicates Z: 13 13.552 1.825 0.623 0.583 1.000 0.833 CB 1.219 13 residues pruned to eliminate duplicates Z: 29 21.145 1.852 0.563 0.737 0.964 0.786 CB 1.158 29 residues pruned to eliminate duplicates Z: 11 17.100 1.938 0.830 0.693 1.000 0.800 CB 1.279 11 residues pruned to eliminate duplicates Z: 11 13.203 1.957 0.802 0.605 0.900 0.800 CB 1.190 11 residues pruned to eliminate duplicates Z: 27 20.714 1.859 0.593 0.741 1.000 0.692 CB 1.105 27 residues pruned to eliminate duplicates Z: 12 10.478 1.789 0.502 0.655 0.909 0.727 CB 1.120 12 residues pruned to eliminate duplicates Z: 29 18.540 1.823 0.563 0.718 0.929 0.643 CB 1.087 29 residues pruned to eliminate duplicates Z: 12 10.434 1.868 0.357 0.560 0.909 0.636 CB 1.288 12 residues pruned to eliminate duplicates Z: 29 20.538 1.846 0.627 0.718 0.964 0.714 CB 1.100 29 residues pruned to eliminate duplicates Z: 38 26.191 1.931 0.734 0.573 0.973 0.703 CB 1.232 38 residues pruned to eliminate duplicates Z: 100 43.092 2.002 0.587 0.665 0.919 0.697 CB 1.273 100 residues pruned to eliminate duplicates Z: 27 22.898 1.914 0.659 0.522 0.962 0.577 CB 1.439 27 residues pruned to eliminate duplicates Z: 58 28.080 1.831 0.671 0.603 0.930 0.667 CB 1.186 59 residues pruned to eliminate duplicates Z: 7 7.437 1.604 0.457 0.480 1.000 0.000 CA 1.325 7 residues pruned to eliminate duplicates Z: 40 25.627 1.856 0.639 0.512 1.000 0.641 CB 1.333 40 residues pruned to eliminate duplicates Z: 39 18.705 1.836 0.579 0.460 0.895 0.632 CB 1.219 39 residues pruned to eliminate duplicates Z: 25 23.389 1.884 0.785 0.630 0.958 0.625 CB 1.310 25 residues pruned to eliminate duplicates Z: 25 15.940 1.808 0.664 0.553 0.875 0.583 CB 1.174 25 residues pruned to eliminate duplicates Z: 23 17.664 1.894 0.750 0.624 0.864 0.682 CB 1.171 23 residues pruned to eliminate duplicates Z: 29 20.953 1.918 0.560 0.551 0.964 0.536 CB 1.306 29 residues pruned to eliminate duplicates Z: 23 19.819 1.860 0.749 0.642 0.955 0.727 CB 1.191 23 residues pruned to eliminate duplicates Z: 55 28.449 1.867 0.754 0.614 0.889 0.593 CB 1.193 55 residues pruned to eliminate duplicates Z: 27 19.152 1.905 0.495 0.477 0.962 0.654 CA 1.405 27 residues pruned to eliminate duplicates Z: 28 18.798 1.924 0.496 0.520 0.963 0.704 CB 1.278 28 residues pruned to eliminate duplicates Z: 54 28.806 1.857 0.676 0.641 0.962 0.660 CB 1.158 54 residues pruned to eliminate duplicates Z: 29 20.467 1.831 0.737 0.493 0.929 0.643 CB 1.318 29 residues pruned to eliminate duplicates Z: 58 29.323 1.877 0.662 0.593 0.912 0.544 CB 1.248 89 residues pruned to eliminate duplicates Z: 6 2.297 1.253 0.102 0.306 1.000 0.400 O 0.923 Z: 7 4.926 1.428 0.481 0.527 1.000 0.500 CB 0.926 7 residues pruned to eliminate duplicates Z: 13 16.171 1.852 0.871 0.593 0.917 0.500 CB 1.344 13 residues pruned to eliminate duplicates Z: 24 16.624 1.852 0.574 0.507 0.870 0.478 CB 1.359 24 residues pruned to eliminate duplicates Z: 11 19.111 1.915 1.092 0.756 1.000 0.800 CB 1.201 17 residues pruned to eliminate duplicates Z: 12 10.613 1.788 0.659 0.602 1.000 0.727 CB 0.979 12 residues pruned to eliminate duplicates Z: 38 23.121 1.899 0.761 0.585 0.946 0.595 CB 1.108 38 residues pruned to eliminate duplicates Z: 25 13.230 1.777 0.650 0.534 0.833 0.583 CB 1.069 25 residues pruned to eliminate duplicates Z: 58 37.695 2.088 0.607 0.668 0.895 0.667 CB 1.424 58 residues pruned to eliminate duplicates Z: 41 20.765 1.916 0.454 0.564 0.900 0.575 CB 1.231 41 residues pruned to eliminate duplicates Z: 63 41.033 2.111 0.568 0.674 0.935 0.613 CA 1.434 63 residues pruned to eliminate duplicates Z: 46 40.168 2.215 0.615 0.696 0.933 0.711 CB 1.501 46 residues pruned to eliminate duplicates Z: 61 48.480 2.157 0.734 0.693 0.933 0.683 CB 1.503 61 residues pruned to eliminate duplicates Z: 63 44.174 2.090 0.700 0.661 0.919 0.726 CB 1.479 63 residues pruned to eliminate duplicates Z: 59 50.155 2.167 0.721 0.698 0.966 0.621 CB 1.527 59 residues pruned to eliminate duplicates Z: 52 39.822 2.139 0.641 0.667 0.922 0.765 CA 1.477 52 residues pruned to eliminate duplicates Z: 59 43.516 2.102 0.786 0.630 0.931 0.655 CB 1.447 59 residues pruned to eliminate duplicates Z: 60 46.623 2.121 0.741 0.716 0.932 0.729 CB 1.450 60 residues pruned to eliminate duplicates Z: 61 45.616 2.150 0.638 0.698 0.933 0.667 CA 1.496 61 residues pruned to eliminate duplicates Z: 61 43.905 2.114 0.798 0.695 0.883 0.567 CB 1.414 61 residues pruned to eliminate duplicates Z: 56 43.684 2.137 0.732 0.719 0.909 0.782 CA 1.436 56 residues pruned to eliminate duplicates Z: 62 48.513 2.143 0.714 0.673 0.951 0.590 CB 1.516 62 residues pruned to eliminate duplicates Z: 23 25.502 2.074 1.018 0.605 0.909 0.591 CB 1.294 23 residues pruned to eliminate duplicates Z: 63 42.073 2.078 0.815 0.628 0.903 0.548 CA 1.391 63 residues pruned to eliminate duplicates Z: 47 41.295 2.129 0.897 0.701 0.870 0.587 CB 1.444 47 residues pruned to eliminate duplicates Z: 56 47.620 2.152 0.750 0.732 0.945 0.655 CA 1.463 56 residues pruned to eliminate duplicates Z: 63 41.627 2.086 0.662 0.658 0.919 0.629 CB 1.433 63 residues pruned to eliminate duplicates Z: 73 52.598 2.065 0.864 0.687 0.958 0.611 CB 1.417 73 residues pruned to eliminate duplicates Z: 49 44.216 2.130 0.785 0.700 0.958 0.646 CB 1.460 49 residues pruned to eliminate duplicates Z: 60 47.961 2.134 0.797 0.686 0.915 0.627 CA 1.501 60 residues pruned to eliminate duplicates Z: 73 49.164 2.063 0.813 0.668 0.931 0.583 CB 1.425 73 residues pruned to eliminate duplicates Z: 62 48.453 2.128 0.838 0.682 0.902 0.672 CA 1.489 62 residues pruned to eliminate duplicates Z: 46 40.181 2.192 0.811 0.687 0.889 0.733 CB 1.430 46 residues pruned to eliminate duplicates Z: 59 43.690 2.096 0.840 0.665 0.931 0.707 CB 1.372 59 residues pruned to eliminate duplicates Z: 55 55.339 2.137 0.935 0.756 0.981 0.667 CB 1.477 55 residues pruned to eliminate duplicates Z: 61 48.194 2.119 0.806 0.680 0.950 0.683 CB 1.450 61 residues pruned to eliminate duplicates Z: 38 42.487 2.163 0.962 0.716 0.892 0.676 CA 1.518 38 residues pruned to eliminate duplicates Z: 22 30.568 2.097 0.699 0.852 0.905 0.476 CB 1.531 22 residues pruned to eliminate duplicates Z: 61 48.426 2.168 0.803 0.685 0.917 0.567 CB 1.472 61 residues pruned to eliminate duplicates Z: 46 41.298 2.197 0.682 0.685 0.933 0.667 CB 1.506 46 residues pruned to eliminate duplicates Z: 40 45.420 2.239 0.867 0.796 0.923 0.667 CB 1.455 40 residues pruned to eliminate duplicates Z: 62 52.444 2.129 1.013 0.680 0.934 0.607 CB 1.421 62 residues pruned to eliminate duplicates Z: 42 38.167 2.114 0.845 0.687 0.902 0.610 CA 1.427 42 residues pruned to eliminate duplicates Z: 46 45.492 2.189 1.040 0.682 0.911 0.533 CB 1.410 46 residues pruned to eliminate duplicates Z: 52 52.748 2.168 0.974 0.723 0.941 0.490 CB 1.499 52 residues pruned to eliminate duplicates Z: 24 42.777 2.268 0.992 0.772 0.913 0.609 CB 1.700 24 residues pruned to eliminate duplicates Z: 41 46.312 2.146 0.921 0.695 0.950 0.550 CB 1.565 41 residues pruned to eliminate duplicates Z: 62 56.021 2.146 1.076 0.688 0.934 0.574 CB 1.451 62 residues pruned to eliminate duplicates Z: 40 39.977 2.155 0.840 0.679 0.897 0.410 CA 1.525 40 residues pruned to eliminate duplicates Z: 66 48.576 2.078 0.961 0.649 0.908 0.462 CB 1.418 66 residues pruned to eliminate duplicates Z: 28 30.557 2.080 0.815 0.677 0.852 0.444 CB 1.553 28 residues pruned to eliminate duplicates Z: 47 45.802 2.176 0.894 0.675 0.957 0.543 CB 1.458 47 residues pruned to eliminate duplicates Z: 56 53.571 2.170 0.902 0.754 0.927 0.655 CA 1.505 56 residues pruned to eliminate duplicates Z: 29 41.630 2.204 1.001 0.686 0.929 0.607 CB 1.620 29 residues pruned to eliminate duplicates Z: 57 55.757 2.145 0.992 0.733 0.982 0.625 CB 1.440 57 residues pruned to eliminate duplicates Z: 61 49.871 2.140 0.987 0.681 0.917 0.533 CB 1.399 61 residues pruned to eliminate duplicates Z: 16 16.018 1.896 0.646 0.684 0.933 0.400 CA 1.199 16 residues pruned to eliminate duplicates Z: 19 15.276 1.789 0.731 0.623 0.944 0.667 CA 1.096 19 residues pruned to eliminate duplicates Z: 9 5.998 1.988 0.212 0.340 0.875 0.375 CB 1.198 9 residues pruned to eliminate duplicates Z: 63 41.598 2.094 0.875 0.654 0.855 0.435 CB 1.364 63 residues pruned to eliminate duplicates Z: 62 47.538 2.090 0.952 0.678 0.902 0.525 CB 1.404 62 residues pruned to eliminate duplicates Z: 17 18.047 1.979 0.813 0.658 0.812 0.562 CB 1.336 17 residues pruned to eliminate duplicates Z: 14 12.852 1.992 0.379 0.656 0.846 0.538 CA 1.326 14 residues pruned to eliminate duplicates Z: 41 38.468 2.067 0.899 0.704 0.850 0.500 CB 1.514 41 residues pruned to eliminate duplicates Z: 13 20.478 1.812 1.015 0.764 1.000 0.583 CA 1.281 13 residues pruned to eliminate duplicates Z: 18 21.719 1.871 0.854 0.700 0.941 0.529 CB 1.344 18 residues pruned to eliminate duplicates Z: 15 22.072 1.937 0.827 0.733 0.929 0.571 CA 1.456 15 residues pruned to eliminate duplicates Z: 16 24.235 1.932 0.903 0.789 1.000 0.800 CA 1.321 16 residues pruned to eliminate duplicates Z: 18 21.656 1.860 0.933 0.692 0.941 0.588 CB 1.302 18 residues pruned to eliminate duplicates Z: 15 11.626 2.019 0.290 0.811 0.929 0.786 CB 0.980 15 residues pruned to eliminate duplicates Z: 15 10.716 2.003 0.170 0.840 0.929 0.786 CB 0.982 15 residues pruned to eliminate duplicates Z: 13 13.072 2.078 0.470 0.919 0.917 0.917 CB 0.950 Z: 8 5.020 2.065 -0.167 0.893 1.000 1.000 CB 0.792 8 residues pruned to eliminate duplicates Z: 9 7.354 2.082 -0.063 0.898 1.000 1.000 CB 0.954 8 residues pruned to eliminate duplicates Z: 6 3.503 1.526 0.877 0.202 0.800 0.600 CA 0.974 6 1.867 1.325 0.094 0.252 1.000 0.800 CA 0.766 ? Z: 8 9.983 1.903 0.844 0.568 1.000 0.429 CA 1.007 8 residues pruned to eliminate duplicates Z: 9 10.931 1.890 0.598 0.432 0.875 0.250 CA 1.568 9 residues pruned to eliminate duplicates Z: 19 21.488 2.093 0.529 0.486 0.944 0.500 CA 1.701 19 residues pruned to eliminate duplicates Z: 75 40.804 2.085 0.686 0.554 0.892 0.554 CB 1.436 75 residues pruned to eliminate duplicates Z: 41 31.313 2.158 0.658 0.575 0.850 0.575 CB 1.515 41 residues pruned to eliminate duplicates Z: 49 39.052 2.136 0.812 0.550 0.896 0.500 CB 1.547 55 residues pruned to eliminate duplicates Z: 78 40.593 2.100 0.635 0.561 0.909 0.610 CB 1.397 78 residues pruned to eliminate duplicates Z: 65 35.272 2.066 0.603 0.520 0.906 0.594 CB 1.440 65 residues pruned to eliminate duplicates Z: 27 30.256 2.209 0.773 0.612 0.885 0.692 CB 1.539 27 residues pruned to eliminate duplicates Z: 49 36.882 2.163 0.644 0.573 0.938 0.625 CB 1.489 49 residues pruned to eliminate duplicates Z: 76 39.931 2.101 0.600 0.557 0.893 0.640 CB 1.452 76 residues pruned to eliminate duplicates Z: 78 38.446 2.058 0.558 0.571 0.922 0.649 CB 1.384 87 residues pruned to eliminate duplicates Z: 17 27.601 2.034 0.947 0.824 0.938 0.625 CB 1.404 17 residues pruned to eliminate duplicates Z: 73 41.230 2.121 0.567 0.569 0.917 0.583 CA 1.491 73 residues pruned to eliminate duplicates Z: 56 37.465 2.142 0.599 0.604 0.927 0.600 CB 1.441 56 residues pruned to eliminate duplicates Z: 49 31.212 2.071 0.629 0.626 0.896 0.625 CB 1.324 49 residues pruned to eliminate duplicates Z: 12 37.813 2.305 1.075 0.948 1.000 0.636 CA 1.646 12 residues pruned to eliminate duplicates Z: 26 26.823 2.107 0.802 0.586 0.880 0.520 CA 1.478 26 residues pruned to eliminate duplicates Z: 49 32.409 2.039 0.807 0.562 0.917 0.667 CB 1.304 49 residues pruned to eliminate duplicates Z: 77 45.229 2.117 0.676 0.613 0.947 0.618 CB 1.388 77 residues pruned to eliminate duplicates Z: 43 36.186 2.132 0.741 0.684 0.952 0.500 CB 1.334 43 residues pruned to eliminate duplicates Z: 13 35.932 2.269 1.314 0.890 0.917 0.500 CB 1.550 13 residues pruned to eliminate duplicates Z: 76 45.005 2.127 0.756 0.609 0.893 0.573 CB 1.404 76 residues pruned to eliminate duplicates Z: 58 43.080 2.143 0.725 0.597 0.930 0.526 CB 1.513 66 residues pruned to eliminate duplicates Z: 11 36.676 2.361 1.205 0.928 1.000 0.500 CB 1.560 11 residues pruned to eliminate duplicates Z: 43 32.625 2.116 0.529 0.659 0.929 0.524 CB 1.447 43 residues pruned to eliminate duplicates Z: 47 33.542 2.071 0.761 0.514 0.891 0.435 CB 1.501 47 residues pruned to eliminate duplicates Z: 43 32.949 2.116 0.752 0.650 0.857 0.643 CB 1.391 43 residues pruned to eliminate duplicates Z: 66 41.543 2.099 0.759 0.601 0.908 0.554 CB 1.396 58 residues pruned to eliminate duplicates Z: 6 6.241 1.563 0.770 0.377 1.000 0.600 N 1.151 6 residues pruned to eliminate duplicates Z: 30 21.869 1.964 0.552 0.525 0.931 0.552 CB 1.397 30 residues pruned to eliminate duplicates Z: 78 41.617 2.086 0.670 0.575 0.896 0.571 CB 1.412 78 residues pruned to eliminate duplicates Z: 29 29.129 2.124 0.738 0.626 0.893 0.607 CB 1.483 29 residues pruned to eliminate duplicates Z: 20 13.489 1.969 0.456 0.397 0.842 0.474 CB 1.430 20 residues pruned to eliminate duplicates Z: 28 25.915 2.139 0.624 0.628 0.889 0.630 CB 1.432 28 residues pruned to eliminate duplicates Z: 25 23.013 2.083 0.680 0.598 0.875 0.500 CB 1.397 25 residues pruned to eliminate duplicates Z: 28 31.204 2.165 0.801 0.609 0.926 0.407 CB 1.500 36 residues pruned to eliminate duplicates Z: 14 24.809 1.993 1.000 0.828 0.923 0.462 CA 1.409 14 residues pruned to eliminate duplicates Z: 35 27.494 2.026 0.719 0.623 0.912 0.471 CB 1.321 35 residues pruned to eliminate duplicates Z: 29 27.109 2.118 0.777 0.642 0.857 0.393 CB 1.391 29 residues pruned to eliminate duplicates Z: 28 22.055 2.004 0.760 0.504 0.889 0.333 CB 1.348 28 residues pruned to eliminate duplicates Z: 29 26.886 2.081 0.800 0.585 0.893 0.357 CB 1.400 29 residues pruned to eliminate duplicates Z: 26 22.595 1.987 0.898 0.569 0.880 0.360 CB 1.274 20 residues pruned to eliminate duplicates Z: 14 35.504 2.160 1.203 0.926 0.923 0.385 CA 1.572 20 residues pruned to eliminate duplicates Z: 14 40.540 2.157 1.406 0.938 1.000 0.308 CB 1.507 14 residues pruned to eliminate duplicates Z: 14 41.534 2.193 1.435 0.946 1.000 0.615 CA 1.492 14 residues pruned to eliminate duplicates Z: 30 13.126 1.673 0.463 0.473 0.862 0.448 CB 1.188 37 residues pruned to eliminate duplicates Z: 15 15.102 1.684 0.361 0.848 1.000 0.786 CA 1.306 15 residues pruned to eliminate duplicates Z: 34 11.973 1.615 0.479 0.585 0.909 0.515 CB 0.885 34 residues pruned to eliminate duplicates Z: 10 8.606 1.716 0.442 0.663 0.778 0.444 CB 1.281 10 residues pruned to eliminate duplicates Z: 17 12.652 1.698 0.338 0.771 0.938 0.812 CB 1.168 17 residues pruned to eliminate duplicates Z: 25 15.982 1.692 0.580 0.742 0.917 0.667 CB 1.072 25 residues pruned to eliminate duplicates Z: 15 15.151 1.684 0.558 0.717 1.000 0.786 CA 1.268 15 residues pruned to eliminate duplicates Z: 17 13.464 1.681 0.518 0.687 0.875 0.812 CA 1.270 17 residues pruned to eliminate duplicates Z: 36 13.738 1.573 0.576 0.570 0.914 0.657 CB 0.957 36 residues pruned to eliminate duplicates Z: 7 5.821 1.645 0.740 0.582 0.667 0.500 CA 1.151 7 residues pruned to eliminate duplicates Z: 17 14.888 1.642 0.623 0.729 0.875 0.688 CB 1.299 17 residues pruned to eliminate duplicates Z: 15 17.088 1.732 0.648 0.820 0.929 0.786 CB 1.306 15 residues pruned to eliminate duplicates Z: 16 16.947 1.711 0.535 0.861 1.000 0.667 CB 1.225 16 residues pruned to eliminate duplicates Z: 17 15.222 1.705 0.562 0.780 1.000 0.688 CB 1.117 17 residues pruned to eliminate duplicates Z: 13 7.700 1.643 0.449 0.786 0.917 0.667 CB 0.792 13 residues pruned to eliminate duplicates Z: 13 10.409 1.652 0.455 0.913 1.000 0.750 CB 0.885 13 residues pruned to eliminate duplicates Z: 14 8.701 1.636 0.373 0.817 1.000 0.769 CB 0.815 14 residues pruned to eliminate duplicates Z: 13 10.635 1.723 0.775 0.762 0.917 0.667 CB 0.868 13 residues pruned to eliminate duplicates Z: 13 9.989 1.722 0.796 0.763 0.917 0.333 CB 0.806 13 residues pruned to eliminate duplicates Z: 12 10.473 1.754 0.904 0.826 1.000 0.273 CB 0.713 12 residues pruned to eliminate duplicates Z: 10 7.102 1.704 0.871 0.888 0.889 0.222 CB 0.602 10 residues pruned to eliminate duplicates Z: 13 7.576 1.682 0.875 0.763 0.917 0.167 CB 0.599 13 residues pruned to eliminate duplicates Z: 14 8.978 1.678 0.967 0.904 0.923 0.538 CB 0.582 14 residues pruned to eliminate duplicates Z: 13 7.480 1.694 0.823 0.905 0.917 0.417 CB 0.543 13 residues pruned to eliminate duplicates Z: 12 8.556 1.700 0.931 0.897 0.909 0.182 CB 0.619 12 residues pruned to eliminate duplicates Z: 28 13.756 1.563 0.724 0.671 0.963 0.519 CB 0.871 25 residues pruned to eliminate duplicates Z: 6 2.905 1.112 0.949 0.299 0.800 0.600 CB 0.938 6 1.476 1.265 0.726 0.381 1.000 0.600 CA 0.343 ? Z: 6 3.215 1.814 0.570 0.290 0.800 0.800 CA 0.800 6 residues pruned to eliminate duplicates Z: 21 15.343 1.965 0.454 0.447 0.850 0.650 CB 1.492 21 residues pruned to eliminate duplicates Z: 14 17.312 2.027 0.689 0.582 1.000 0.846 CA 1.295 14 residues pruned to eliminate duplicates Z: 11 13.641 2.085 0.375 0.593 1.000 0.800 CA 1.376 11 residues pruned to eliminate duplicates Z: 12 9.582 2.035 0.175 0.377 0.909 0.545 CA 1.516 12 residues pruned to eliminate duplicates Z: 68 39.330 2.090 0.512 0.613 0.955 0.672 CB 1.430 68 residues pruned to eliminate duplicates Z: 26 29.917 2.105 0.909 0.597 0.920 0.520 CB 1.476 29 residues pruned to eliminate duplicates Z: 6 3.121 1.436 0.650 0.397 0.800 0.400 CA 0.821 6 residues pruned to eliminate duplicates Z: 22 21.754 2.029 0.697 0.537 0.905 0.619 CA 1.470 22 residues pruned to eliminate duplicates Z: 11 12.903 1.968 0.790 0.399 0.900 0.300 CB 1.432 11 residues pruned to eliminate duplicates Z: 74 47.399 2.165 0.786 0.584 0.932 0.616 CB 1.421 74 residues pruned to eliminate duplicates Z: 18 18.559 1.981 0.800 0.508 1.000 0.471 CA 1.252 18 residues pruned to eliminate duplicates Z: 61 37.074 2.144 0.656 0.512 0.950 0.633 CB 1.402 61 residues pruned to eliminate duplicates Z: 32 27.605 2.085 0.896 0.540 0.903 0.613 CA 1.336 32 residues pruned to eliminate duplicates Z: 48 39.069 2.135 0.812 0.605 0.957 0.681 CB 1.393 48 residues pruned to eliminate duplicates Z: 71 40.184 2.119 0.698 0.561 0.871 0.629 CB 1.445 71 residues pruned to eliminate duplicates Z: 25 23.858 2.094 0.864 0.640 0.875 0.667 CB 1.251 25 residues pruned to eliminate duplicates Z: 49 37.264 2.152 0.671 0.627 0.938 0.708 CB 1.416 49 residues pruned to eliminate duplicates Z: 48 35.544 2.167 0.688 0.584 0.936 0.617 CB 1.396 48 residues pruned to eliminate duplicates Z: 54 38.892 2.208 0.618 0.572 0.943 0.623 CB 1.480 54 residues pruned to eliminate duplicates Z: 51 34.309 2.105 0.694 0.568 0.960 0.640 CB 1.326 51 residues pruned to eliminate duplicates Z: 72 41.495 2.142 0.747 0.575 0.930 0.577 CB 1.316 72 residues pruned to eliminate duplicates Z: 33 32.891 2.120 0.887 0.575 0.938 0.719 CB 1.443 33 residues pruned to eliminate duplicates Z: 55 39.519 2.212 0.750 0.547 0.944 0.667 CB 1.405 55 residues pruned to eliminate duplicates Z: 71 41.215 2.163 0.596 0.570 0.943 0.614 CB 1.415 71 residues pruned to eliminate duplicates Z: 39 26.399 2.156 0.647 0.498 0.947 0.421 CB 1.276 39 residues pruned to eliminate duplicates Z: 34 27.177 2.169 0.670 0.539 0.909 0.606 CB 1.383 34 residues pruned to eliminate duplicates Z: 36 37.145 2.252 0.753 0.675 0.943 0.714 CB 1.436 36 residues pruned to eliminate duplicates Z: 55 37.476 2.158 0.775 0.566 0.907 0.648 CB 1.376 55 residues pruned to eliminate duplicates Z: 20 14.102 1.987 0.586 0.577 0.842 0.526 CB 1.132 20 residues pruned to eliminate duplicates Z: 30 25.999 2.114 0.970 0.596 0.828 0.690 CA 1.278 30 residues pruned to eliminate duplicates Z: 14 22.205 2.204 1.077 0.770 0.846 0.615 CA 1.251 14 residues pruned to eliminate duplicates Z: 45 36.465 2.158 0.849 0.630 0.864 0.682 CB 1.411 45 residues pruned to eliminate duplicates Z: 29 24.639 2.136 0.715 0.472 0.893 0.536 CB 1.465 29 residues pruned to eliminate duplicates Z: 44 31.189 2.163 0.663 0.590 0.907 0.605 CB 1.338 51 residues pruned to eliminate duplicates Z: 34 23.809 2.119 0.719 0.548 0.848 0.606 CB 1.280 34 residues pruned to eliminate duplicates Z: 25 22.748 2.124 0.766 0.598 0.833 0.625 CA 1.352 25 residues pruned to eliminate duplicates Z: 64 41.729 2.184 0.795 0.558 0.889 0.667 CB 1.426 64 residues pruned to eliminate duplicates Z: 17 26.557 2.277 0.798 0.680 0.938 0.562 CA 1.465 17 residues pruned to eliminate duplicates Z: 46 33.797 2.147 0.813 0.560 0.889 0.667 CB 1.373 46 residues pruned to eliminate duplicates Z: 66 37.977 2.155 0.777 0.546 0.892 0.569 CB 1.317 66 residues pruned to eliminate duplicates Z: 24 21.380 2.192 0.394 0.531 0.913 0.696 CA 1.549 24 residues pruned to eliminate duplicates Z: 37 37.384 2.221 0.803 0.631 0.944 0.528 CB 1.456 37 residues pruned to eliminate duplicates Z: 64 42.228 2.172 0.810 0.535 0.937 0.635 CB 1.395 64 residues pruned to eliminate duplicates Z: 37 37.483 2.228 0.843 0.636 0.917 0.556 CB 1.461 37 residues pruned to eliminate duplicates Z: 36 38.533 2.261 0.821 0.663 0.914 0.743 CA 1.488 36 residues pruned to eliminate duplicates Z: 18 22.313 2.236 0.622 0.596 0.941 0.706 CB 1.447 18 residues pruned to eliminate duplicates Z: 36 41.445 2.254 0.839 0.682 0.943 0.686 CB 1.517 36 residues pruned to eliminate duplicates Z: 33 21.829 2.110 0.586 0.466 0.906 0.625 CB 1.316 33 residues pruned to eliminate duplicates Z: 32 21.449 2.157 0.419 0.493 0.903 0.548 CA 1.404 32 residues pruned to eliminate duplicates Z: 36 40.458 2.252 0.931 0.677 0.914 0.657 CB 1.461 36 residues pruned to eliminate duplicates Z: 50 29.084 2.117 0.718 0.451 0.918 0.612 CB 1.308 50 residues pruned to eliminate duplicates Z: 35 19.083 2.039 0.585 0.469 0.853 0.588 CB 1.225 35 residues pruned to eliminate duplicates Z: 23 22.007 2.077 0.793 0.542 0.864 0.591 CB 1.401 23 residues pruned to eliminate duplicates Z: 53 35.552 2.149 0.837 0.564 0.865 0.635 CB 1.356 53 residues pruned to eliminate duplicates Z: 24 28.214 2.206 0.813 0.600 0.913 0.739 CB 1.465 24 residues pruned to eliminate duplicates Z: 53 42.728 2.198 0.886 0.569 0.942 0.615 CB 1.419 53 residues pruned to eliminate duplicates Z: 38 27.144 2.117 0.814 0.496 0.838 0.486 CB 1.394 38 residues pruned to eliminate duplicates Z: 65 43.978 2.168 0.859 0.598 0.906 0.562 CB 1.371 65 residues pruned to eliminate duplicates Z: 25 30.151 2.235 0.832 0.612 0.875 0.500 CB 1.545 25 residues pruned to eliminate duplicates Z: 49 41.105 2.169 0.905 0.619 0.917 0.458 CB 1.400 49 residues pruned to eliminate duplicates Z: 8 5.151 1.914 0.690 0.290 0.857 0.286 CB 0.889 8 residues pruned to eliminate duplicates Z: 7 4.104 1.987 0.331 0.250 0.667 0.333 CB 1.267 7 residues pruned to eliminate duplicates Z: 12 4.531 1.826 0.447 0.303 0.818 0.455 CB 0.787 12 residues pruned to eliminate duplicates Z: 15 5.315 1.849 0.336 0.271 0.786 0.429 CB 0.949 15 residues pruned to eliminate duplicates Z: 82 43.318 2.110 0.822 0.575 0.877 0.617 CB 1.329 82 residues pruned to eliminate duplicates Z: 23 11.094 1.816 0.908 0.361 0.773 0.591 CB 1.026 23 residues pruned to eliminate duplicates Z: 8 7.092 1.642 0.653 0.500 0.857 0.571 CA 1.152 8 residues pruned to eliminate duplicates Z: 10 10.159 2.000 0.738 0.400 1.000 0.667 CB 1.082 10 residues pruned to eliminate duplicates Z: 35 32.763 2.164 0.890 0.591 0.912 0.500 CB 1.381 35 residues pruned to eliminate duplicates Z: 23 10.185 1.872 0.505 0.330 0.864 0.591 CB 1.076 23 residues pruned to eliminate duplicates Z: 91 35.381 1.955 0.698 0.521 0.856 0.478 CB 1.287 91 residues pruned to eliminate duplicates Z: 34 13.213 1.870 0.542 0.332 0.818 0.424 CB 1.172 34 residues pruned to eliminate duplicates Z: 87 36.092 1.911 0.565 0.548 0.895 0.477 CB 1.386 87 residues pruned to eliminate duplicates Z: 41 15.820 1.882 0.470 0.377 0.850 0.500 CB 1.213 41 residues pruned to eliminate duplicates Z: 43 17.510 1.901 0.508 0.430 0.810 0.452 CB 1.252 43 residues pruned to eliminate duplicates Z: 43 18.499 1.900 0.575 0.348 0.833 0.429 CB 1.350 43 residues pruned to eliminate duplicates Z: 62 25.220 1.901 0.497 0.510 0.869 0.557 CB 1.293 62 residues pruned to eliminate duplicates Z: 22 10.290 1.838 0.345 0.307 0.952 0.571 CB 1.182 22 residues pruned to eliminate duplicates Z: 46 17.693 1.891 0.508 0.414 0.844 0.556 CB 1.199 46 residues pruned to eliminate duplicates Z: 37 20.329 1.958 0.523 0.428 0.972 0.417 CB 1.260 37 residues pruned to eliminate duplicates Z: 44 17.824 1.886 0.472 0.397 0.884 0.442 CB 1.235 44 residues pruned to eliminate duplicates Z: 57 23.570 1.910 0.438 0.501 0.875 0.536 CB 1.308 57 residues pruned to eliminate duplicates Z: 28 18.112 1.915 0.576 0.336 1.000 0.481 CB 1.382 28 residues pruned to eliminate duplicates Z: 24 14.398 1.954 0.532 0.394 0.870 0.478 CB 1.289 24 residues pruned to eliminate duplicates Z: 50 19.728 1.860 0.603 0.385 0.857 0.469 CB 1.246 50 residues pruned to eliminate duplicates Z: 46 19.281 1.915 0.535 0.378 0.844 0.378 CB 1.318 46 residues pruned to eliminate duplicates Z: 39 22.343 1.947 0.479 0.451 0.947 0.500 CB 1.396 39 residues pruned to eliminate duplicates Z: 31 22.098 2.005 0.606 0.502 0.900 0.567 CB 1.389 31 residues pruned to eliminate duplicates Z: 50 18.517 1.851 0.465 0.350 0.878 0.429 CB 1.308 50 residues pruned to eliminate duplicates Z: 21 17.177 2.010 0.640 0.498 0.900 0.550 CB 1.297 21 residues pruned to eliminate duplicates Z: 52 23.471 1.934 0.498 0.452 0.922 0.529 CB 1.293 52 residues pruned to eliminate duplicates Z: 79 34.003 2.006 0.668 0.464 0.897 0.551 CB 1.330 79 residues pruned to eliminate duplicates Z: 52 23.025 1.849 0.552 0.556 0.882 0.588 CB 1.207 52 residues pruned to eliminate duplicates Z: 32 19.467 1.999 0.437 0.392 0.968 0.613 CA 1.409 32 residues pruned to eliminate duplicates Z: 28 14.206 1.832 0.531 0.561 0.815 0.481 CB 1.127 28 residues pruned to eliminate duplicates Z: 31 18.778 1.973 0.535 0.423 0.933 0.500 CB 1.314 31 residues pruned to eliminate duplicates Z: 27 18.915 1.933 0.642 0.439 0.962 0.385 CB 1.295 27 residues pruned to eliminate duplicates Z: 70 27.019 1.850 0.551 0.518 0.841 0.507 CB 1.325 70 residues pruned to eliminate duplicates Z: 30 17.642 1.826 0.560 0.627 0.828 0.655 CA 1.233 30 residues pruned to eliminate duplicates Z: 26 12.614 1.777 0.430 0.409 0.840 0.360 CB 1.300 26 residues pruned to eliminate duplicates Z: 43 17.975 1.854 0.511 0.355 0.905 0.524 CB 1.280 43 residues pruned to eliminate duplicates Z: 39 27.184 1.934 0.592 0.575 0.921 0.605 CA 1.447 39 residues pruned to eliminate duplicates Z: 64 30.178 1.867 0.577 0.592 0.921 0.667 CB 1.285 64 residues pruned to eliminate duplicates Z: 35 19.196 1.797 0.392 0.626 0.941 0.676 CA 1.242 35 residues pruned to eliminate duplicates Z: 22 10.905 1.739 0.415 0.307 0.857 0.476 CA 1.398 22 residues pruned to eliminate duplicates Z: 23 16.823 1.790 0.583 0.714 0.864 0.636 CA 1.208 23 residues pruned to eliminate duplicates Z: 28 18.667 1.786 0.454 0.677 0.889 0.704 CB 1.322 28 residues pruned to eliminate duplicates Z: 15 9.540 1.784 0.296 0.570 0.929 0.643 CA 1.110 15 residues pruned to eliminate duplicates Z: 67 32.553 1.852 0.575 0.640 0.955 0.591 CB 1.262 67 residues pruned to eliminate duplicates Z: 62 26.620 1.904 0.569 0.433 0.934 0.508 CB 1.309 62 residues pruned to eliminate duplicates Z: 23 18.955 1.835 0.515 0.694 0.955 0.500 CB 1.275 23 residues pruned to eliminate duplicates Z: 39 21.320 1.775 0.542 0.646 0.895 0.474 CB 1.232 39 residues pruned to eliminate duplicates Z: 82 30.725 1.896 0.561 0.512 0.901 0.494 CA 1.266 82 residues pruned to eliminate duplicates Z: 20 21.401 1.876 0.569 0.764 1.000 0.579 CB 1.320 20 residues pruned to eliminate duplicates Z: 65 31.976 1.882 0.594 0.596 0.906 0.594 CB 1.342 65 residues pruned to eliminate duplicates Z: 10 6.094 1.758 0.671 0.581 0.556 0.444 CB 1.151 10 residues pruned to eliminate duplicates Z: 66 28.667 1.835 0.546 0.586 0.892 0.615 CB 1.294 66 residues pruned to eliminate duplicates Z: 31 18.899 1.865 0.603 0.590 0.833 0.567 CB 1.271 31 residues pruned to eliminate duplicates Z: 75 29.647 1.890 0.615 0.473 0.946 0.473 CB 1.227 75 residues pruned to eliminate duplicates Z: 53 31.491 1.903 0.573 0.652 0.942 0.615 CA 1.344 53 residues pruned to eliminate duplicates Z: 69 31.924 1.861 0.630 0.630 0.897 0.529 CB 1.260 69 residues pruned to eliminate duplicates Z: 36 26.157 1.935 0.607 0.586 0.971 0.600 CB 1.349 36 residues pruned to eliminate duplicates Z: 80 36.875 1.862 0.714 0.574 0.899 0.570 CB 1.347 80 residues pruned to eliminate duplicates Z: 56 32.917 1.912 0.608 0.586 0.982 0.582 CB 1.354 56 residues pruned to eliminate duplicates Z: 74 37.789 1.892 0.640 0.614 0.945 0.630 CB 1.353 74 residues pruned to eliminate duplicates Z: 49 29.566 1.857 0.697 0.572 0.938 0.583 CB 1.347 49 residues pruned to eliminate duplicates Z: 54 25.014 1.845 0.704 0.496 0.868 0.509 CB 1.265 54 residues pruned to eliminate duplicates Z: 42 22.341 1.876 0.564 0.486 0.902 0.512 CA 1.336 42 residues pruned to eliminate duplicates Z: 68 38.236 1.887 0.739 0.628 0.970 0.507 CB 1.301 68 residues pruned to eliminate duplicates Z: 43 31.636 1.948 0.615 0.616 0.976 0.619 CB 1.424 43 residues pruned to eliminate duplicates Z: 41 24.770 1.896 0.554 0.545 0.950 0.525 CB 1.340 41 residues pruned to eliminate duplicates Z: 65 29.946 1.885 0.442 0.585 0.938 0.531 CB 1.355 65 residues pruned to eliminate duplicates Z: 48 25.676 1.871 0.575 0.518 0.894 0.447 CB 1.397 48 residues pruned to eliminate duplicates Z: 62 29.932 1.878 0.528 0.581 0.934 0.557 CB 1.322 62 residues pruned to eliminate duplicates Z: 44 29.172 1.925 0.661 0.556 0.977 0.628 CA 1.349 44 residues pruned to eliminate duplicates Z: 58 30.031 1.805 0.648 0.592 0.947 0.544 CB 1.292 58 residues pruned to eliminate duplicates Z: 76 37.284 1.880 0.635 0.645 0.920 0.547 CB 1.330 76 residues pruned to eliminate duplicates Z: 37 23.690 1.877 0.565 0.574 0.944 0.556 CB 1.325 37 residues pruned to eliminate duplicates Z: 100 39.988 1.892 0.621 0.532 0.929 0.505 CB 1.366 100 residues pruned to eliminate duplicates Z: 41 24.309 1.854 0.761 0.481 0.875 0.575 CB 1.372 41 residues pruned to eliminate duplicates Z: 58 34.625 1.899 0.793 0.625 0.895 0.561 CB 1.338 58 residues pruned to eliminate duplicates Z: 71 35.134 1.878 0.700 0.548 0.943 0.586 CB 1.331 71 residues pruned to eliminate duplicates Z: 60 33.519 1.898 0.644 0.614 0.949 0.644 CB 1.323 60 residues pruned to eliminate duplicates Z: 69 32.506 1.860 0.682 0.615 0.897 0.529 CB 1.260 69 residues pruned to eliminate duplicates Z: 46 26.615 1.894 0.537 0.596 0.933 0.578 CB 1.332 46 residues pruned to eliminate duplicates Z: 68 38.714 1.912 0.673 0.643 0.955 0.567 CB 1.354 68 residues pruned to eliminate duplicates Z: 68 35.284 1.902 0.600 0.646 0.940 0.522 CB 1.315 68 residues pruned to eliminate duplicates Z: 47 30.202 1.881 0.684 0.586 0.957 0.587 CB 1.353 47 residues pruned to eliminate duplicates Z: 45 29.933 1.901 0.635 0.572 0.955 0.659 CB 1.419 45 residues pruned to eliminate duplicates Z: 56 33.281 1.882 0.658 0.631 0.982 0.582 CB 1.295 56 residues pruned to eliminate duplicates Z: 45 32.795 1.915 0.666 0.597 1.000 0.545 CB 1.412 45 residues pruned to eliminate duplicates Z: 32 24.557 1.881 0.670 0.660 0.935 0.677 CB 1.295 32 residues pruned to eliminate duplicates Z: 76 40.302 1.901 0.707 0.619 0.960 0.547 CB 1.335 76 residues pruned to eliminate duplicates Z: 75 37.008 1.869 0.575 0.625 0.959 0.635 CB 1.354 75 residues pruned to eliminate duplicates Z: 68 38.804 1.871 0.705 0.651 0.955 0.642 CB 1.352 68 residues pruned to eliminate duplicates Z: 64 32.700 1.792 0.593 0.630 0.968 0.667 CB 1.319 64 residues pruned to eliminate duplicates Z: 46 31.352 1.894 0.741 0.603 0.956 0.556 CB 1.345 46 residues pruned to eliminate duplicates Z: 53 28.612 1.852 0.651 0.540 0.942 0.654 CB 1.325 53 residues pruned to eliminate duplicates Z: 26 18.207 1.722 0.812 0.565 0.880 0.440 CB 1.246 26 residues pruned to eliminate duplicates Z: 34 23.618 1.804 0.654 0.666 0.939 0.576 CB 1.258 34 residues pruned to eliminate duplicates Z: 45 30.072 1.875 0.763 0.640 0.909 0.636 CB 1.323 45 residues pruned to eliminate duplicates Z: 11 7.752 1.708 0.254 0.567 0.800 0.500 N 1.341 Z: 9 9.954 1.711 0.387 0.843 1.000 0.750 CB 1.105 11 residues pruned to eliminate duplicates Z: 9 10.386 1.689 0.491 0.820 1.000 0.625 CB 1.104 9 residues pruned to eliminate duplicates Z: 10 13.051 1.749 0.560 0.915 1.000 0.667 CB 1.127 9 residues pruned to eliminate duplicates Z: 7 4.199 1.646 0.184 0.415 0.833 0.667 CA 1.153 Z: 6 3.589 1.272 0.781 0.289 1.000 0.600 CA 0.898 Z: 6 3.049 1.156 0.815 0.456 1.000 0.800 CA 0.680 Z: 6 3.715 1.558 0.718 0.408 0.800 0.600 CA 0.855 Z: 7 3.588 1.150 0.635 0.458 1.000 0.500 C 0.814 6 residues pruned to eliminate duplicates Z: 7 2.234 1.288 0.621 0.404 0.833 0.500 CB 0.579 7 residues pruned to eliminate duplicates Z: 6 3.377 1.518 0.779 0.292 0.800 0.200 CA 0.883 6 residues pruned to eliminate duplicates Z: 8 5.154 1.870 0.456 0.196 1.000 0.143 CB 1.028 10 residues pruned to eliminate duplicates 544 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 10 D: 12 E: 138 F: 33 G: 28 H: 10 I: 10 J: 289 CC for partial structure against native data = 38.89 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.430, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.501, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.597, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.598, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.607, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.608, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.614, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.615, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.618, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.619, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4097 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 775 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 33.220 2.358 0.837 0.905 0.917 0.667 CA 1.719 B: 15 23.805 2.057 0.732 0.850 0.929 0.786 CA 1.425 15 residues pruned to eliminate duplicates C: 13 20.586 2.073 0.816 0.843 0.917 0.417 CB 1.282 D: 18 21.834 2.107 0.726 0.607 0.941 0.647 CA 1.397 E: 12 36.951 2.384 0.867 0.927 1.000 0.727 CA 1.754 13 residues pruned to eliminate duplicates F: 12 20.033 2.308 0.355 0.938 1.000 0.727 CB 1.343 G: 12 33.638 2.309 0.749 0.920 1.000 0.727 CB 1.767 12 residues pruned to eliminate duplicates H: 14 28.537 2.324 0.763 0.923 0.923 0.615 CB 1.470 13 residues pruned to eliminate duplicates I: 12 14.176 2.186 0.536 0.402 0.909 0.636 CA 1.553 J: 10 18.227 2.256 0.525 0.622 0.889 0.667 CA 1.771 12 residues pruned to eliminate duplicates K: 13 24.775 2.371 0.409 0.941 1.000 1.000 CA 1.486 13 residues pruned to eliminate duplicates L: 12 33.858 2.341 0.813 0.939 1.000 0.727 CA 1.672 12 residues pruned to eliminate duplicates M: 18 42.709 2.347 0.763 0.935 1.000 0.824 CB 1.745 N: 13 29.757 2.259 0.788 0.925 1.000 0.833 CA 1.493 13 residues pruned to eliminate duplicates O: 11 14.911 2.352 0.196 0.923 0.900 0.900 CB 1.309 11 residues pruned to eliminate duplicates P: 10 19.055 2.315 0.581 0.606 1.000 0.778 CA 1.570 10 residues pruned to eliminate duplicates Q: 20 35.607 2.192 0.704 0.925 1.000 0.842 CA 1.536 18 residues pruned to eliminate duplicates R: 56 34.272 2.117 0.605 0.541 0.891 0.582 CA 1.467 19 residues pruned to eliminate duplicates S: 19 40.102 2.269 0.776 0.906 1.000 0.667 CB 1.668 21 residues pruned to eliminate duplicates T: 16 13.082 2.035 0.060 0.929 0.933 0.933 CB 1.174 16 residues pruned to eliminate duplicates U: 13 36.304 2.312 0.962 0.951 1.000 0.750 CA 1.592 12 residues pruned to eliminate duplicates V: 10 11.261 2.185 0.182 0.410 1.000 0.778 CA 1.597 10 residues pruned to eliminate duplicates W: 13 33.407 2.271 0.999 0.911 1.000 0.417 CB 1.505 13 residues pruned to eliminate duplicates X: 14 20.946 2.337 0.397 0.944 0.923 0.692 CB 1.334 14 residues pruned to eliminate duplicates Y: 19 37.144 2.294 0.804 0.899 0.944 0.667 CA 1.601 19 residues pruned to eliminate duplicates Z: 6 8.828 1.799 0.640 0.789 1.000 0.800 CA 1.038 6 residues pruned to eliminate duplicates Z: 13 32.096 2.325 0.891 0.914 0.917 0.833 CA 1.626 13 residues pruned to eliminate duplicates Z: 35 21.138 2.082 0.360 0.464 0.941 0.676 CB 1.410 Z: 13 27.806 2.195 1.071 0.918 1.000 0.500 CA 1.245 13 residues pruned to eliminate duplicates Z: 47 25.070 1.840 0.542 0.604 0.935 0.587 CB 1.263 Z: 21 31.683 2.174 0.848 0.825 0.900 0.700 CB 1.478 21 residues pruned to eliminate duplicates Z: 49 47.405 2.165 1.022 0.704 0.917 0.521 CB 1.416 18 residues pruned to eliminate duplicates Z: 17 19.432 2.071 0.426 0.843 0.938 0.812 CB 1.306 17 residues pruned to eliminate duplicates Z: 12 6.937 1.761 0.576 0.240 0.909 0.364 CB 1.120 12 residues pruned to eliminate duplicates Z: 10 9.061 1.830 0.277 0.500 0.889 0.556 CB 1.455 10 residues pruned to eliminate duplicates Z: 14 23.301 2.079 0.841 0.844 1.000 0.692 CB 1.256 14 residues pruned to eliminate duplicates Z: 20 20.675 2.020 0.732 0.625 0.842 0.737 CA 1.431 20 residues pruned to eliminate duplicates Z: 18 32.358 2.082 0.711 0.908 1.000 0.471 CB 1.565 Z: 13 31.954 2.235 0.876 0.936 1.000 0.833 CA 1.531 13 residues pruned to eliminate duplicates Z: 14 25.380 2.071 0.914 0.879 0.923 0.692 CA 1.394 14 residues pruned to eliminate duplicates Z: 27 18.023 1.911 0.717 0.460 0.808 0.538 CB 1.389 10 residues pruned to eliminate duplicates Z: 55 54.113 2.138 0.957 0.768 0.926 0.519 CB 1.499 49 residues pruned to eliminate duplicates Z: 10 13.095 2.294 -0.054 0.918 1.000 0.889 CB 1.419 10 residues pruned to eliminate duplicates Z: 14 28.139 2.098 1.314 0.874 1.000 0.538 CB 1.170 14 residues pruned to eliminate duplicates Z: 20 27.929 2.184 0.680 0.866 0.842 0.579 CB 1.518 20 residues pruned to eliminate duplicates Z: 14 26.814 2.283 0.665 0.927 0.923 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 19 34.269 2.064 0.809 0.927 1.000 0.611 CA 1.516 18 residues pruned to eliminate duplicates Z: 19 31.718 2.190 0.612 0.897 0.889 0.222 CB 1.705 19 residues pruned to eliminate duplicates Z: 20 27.070 2.206 0.569 0.884 0.895 0.737 CA 1.450 20 residues pruned to eliminate duplicates Z: 20 31.571 1.993 0.870 0.901 1.000 0.632 CB 1.387 19 residues pruned to eliminate duplicates Z: 17 22.964 2.034 0.993 0.878 0.938 0.688 CB 1.096 17 residues pruned to eliminate duplicates Z: 10 18.246 1.939 1.009 0.901 1.000 1.000 CA 1.115 10 residues pruned to eliminate duplicates Z: 14 20.041 2.039 0.430 0.920 1.000 0.692 CA 1.343 14 residues pruned to eliminate duplicates Z: 19 27.770 2.043 0.912 0.908 0.944 0.611 CB 1.261 19 residues pruned to eliminate duplicates Z: 19 29.723 2.029 0.955 0.918 0.889 0.556 CB 1.402 19 residues pruned to eliminate duplicates Z: 19 26.866 2.037 0.661 0.919 0.944 0.611 CB 1.397 19 residues pruned to eliminate duplicates Z: 9 11.335 1.880 0.534 0.799 0.875 0.625 CA 1.223 Z: 13 21.587 2.177 0.803 0.912 0.917 0.750 CA 1.226 13 residues pruned to eliminate duplicates Z: 11 9.172 1.949 0.293 0.478 0.900 0.500 CA 1.308 Z: 16 8.982 1.780 0.259 0.390 0.867 0.400 CA 1.341 43 residues pruned to eliminate duplicates Z: 19 33.622 2.272 0.688 0.913 1.000 0.944 CA 1.462 19 residues pruned to eliminate duplicates Z: 35 24.141 2.014 0.386 0.584 0.941 0.618 CA 1.455 35 residues pruned to eliminate duplicates Z: 45 45.410 2.208 1.001 0.703 0.886 0.545 CB 1.453 45 residues pruned to eliminate duplicates Z: 12 31.442 2.230 1.026 0.917 1.000 0.455 CA 1.480 20 residues pruned to eliminate duplicates Z: 13 30.066 2.333 0.750 0.926 0.917 0.917 CA 1.627 13 residues pruned to eliminate duplicates Z: 57 38.553 2.114 0.805 0.601 0.875 0.679 CA 1.402 57 residues pruned to eliminate duplicates Z: 13 25.291 2.150 0.939 0.917 1.000 0.833 CA 1.236 13 residues pruned to eliminate duplicates Z: 17 16.218 1.807 0.716 0.853 0.812 0.375 CB 1.189 Z: 8 3.561 1.786 -0.041 0.314 0.714 0.286 CB 1.351 Z: 12 24.178 2.250 0.796 0.899 0.909 0.818 CA 1.419 12 residues pruned to eliminate duplicates Z: 8 5.716 1.738 0.142 0.433 1.000 0.571 CB 1.167 Z: 15 22.266 2.069 0.617 0.927 1.000 0.929 CA 1.246 15 residues pruned to eliminate duplicates Z: 48 21.538 2.006 0.431 0.406 0.872 0.574 CB 1.384 15 residues pruned to eliminate duplicates Z: 18 18.538 1.957 0.953 0.575 0.882 0.647 CA 1.240 18 residues pruned to eliminate duplicates Z: 8 12.730 1.943 0.354 0.799 1.000 0.714 CA 1.407 8 residues pruned to eliminate duplicates Z: 19 24.908 2.076 0.491 0.904 0.944 0.667 CA 1.430 19 residues pruned to eliminate duplicates Z: 13 27.418 2.220 0.891 0.919 1.000 0.917 CA 1.329 13 residues pruned to eliminate duplicates Z: 20 21.795 2.036 0.526 0.806 0.947 0.842 CA 1.301 16 residues pruned to eliminate duplicates Z: 8 11.347 1.912 0.520 0.858 0.857 0.571 CA 1.267 8 residues pruned to eliminate duplicates Z: 14 33.327 2.281 0.990 0.908 1.000 0.769 CB 1.446 13 residues pruned to eliminate duplicates Z: 14 16.915 1.860 1.188 0.947 1.000 0.538 CB 0.796 Z: 12 33.901 2.375 0.782 0.914 1.000 0.818 CA 1.707 12 residues pruned to eliminate duplicates Z: 12 27.683 2.373 0.751 0.930 0.909 0.818 CB 1.545 11 residues pruned to eliminate duplicates Z: 20 35.737 2.252 0.776 0.858 0.947 0.632 CA 1.593 20 residues pruned to eliminate duplicates Z: 37 17.932 1.972 0.350 0.452 0.917 0.583 CB 1.287 36 residues pruned to eliminate duplicates Z: 12 32.570 2.121 1.106 0.915 1.000 0.273 CA 1.554 11 residues pruned to eliminate duplicates Z: 33 19.309 1.922 0.556 0.440 0.844 0.531 CA 1.439 33 residues pruned to eliminate duplicates Z: 22 15.634 1.887 0.659 0.381 0.905 0.476 CA 1.368 Z: 13 18.626 2.131 0.579 0.915 1.000 0.917 CA 1.130 13 residues pruned to eliminate duplicates Z: 6 10.839 1.920 0.638 0.878 1.000 0.800 CB 1.118 5 residues pruned to eliminate duplicates Z: 13 29.487 2.235 0.831 0.902 1.000 0.833 CB 1.484 13 residues pruned to eliminate duplicates Z: 6 3.873 1.831 0.456 0.820 1.000 0.800 CB 0.492 6 residues pruned to eliminate duplicates Z: 12 16.387 1.829 0.735 0.855 0.909 0.636 CA 1.264 12 residues pruned to eliminate duplicates Z: 50 40.029 2.066 0.984 0.608 0.959 0.531 CA 1.313 49 residues pruned to eliminate duplicates Z: 11 19.057 1.967 0.948 0.889 1.000 0.800 CA 1.132 Z: 13 37.407 2.325 0.975 0.923 1.000 0.750 CA 1.653 13 residues pruned to eliminate duplicates Z: 25 26.627 2.154 0.738 0.460 0.958 0.625 CB 1.577 25 residues pruned to eliminate duplicates Z: 20 43.431 2.171 1.104 0.884 1.000 0.474 CB 1.576 20 residues pruned to eliminate duplicates Z: 24 17.117 2.011 0.351 0.522 0.957 0.565 CB 1.343 26 residues pruned to eliminate duplicates Z: 14 31.316 2.119 1.152 0.923 1.000 0.846 CB 1.338 14 residues pruned to eliminate duplicates Z: 16 11.120 1.822 0.339 0.873 1.000 0.733 CB 0.857 13 residues pruned to eliminate duplicates Z: 13 30.339 2.190 1.006 0.867 0.917 0.583 CB 1.591 13 residues pruned to eliminate duplicates Z: 17 31.132 2.073 0.948 0.923 1.000 0.938 CA 1.354 20 residues pruned to eliminate duplicates Z: 9 7.216 1.658 0.792 0.500 0.750 0.625 N 1.145 Z: 13 36.604 2.335 1.005 0.940 0.917 0.583 CB 1.710 13 residues pruned to eliminate duplicates Z: 18 25.416 2.100 0.542 0.909 0.882 0.706 CB 1.531 18 residues pruned to eliminate duplicates Z: 10 7.999 1.772 0.841 0.394 0.667 0.444 CA 1.371 6 residues pruned to eliminate duplicates Z: 10 14.252 1.820 0.664 0.915 1.000 0.556 CB 1.109 10 residues pruned to eliminate duplicates Z: 10 18.572 2.030 1.029 0.714 1.000 0.889 CB 1.238 Z: 11 17.824 1.998 0.855 0.895 0.900 0.700 CA 1.211 12 residues pruned to eliminate duplicates Z: 28 18.708 1.873 0.697 0.408 0.889 0.519 CB 1.403 46 residues pruned to eliminate duplicates Z: 21 22.510 2.024 0.520 0.832 0.900 0.800 CA 1.365 21 residues pruned to eliminate duplicates Z: 13 28.538 2.188 0.947 0.895 0.917 0.417 CB 1.512 13 residues pruned to eliminate duplicates Z: 15 9.342 1.784 0.707 0.350 0.786 0.500 CB 1.228 10 residues pruned to eliminate duplicates Z: 14 24.210 2.029 0.974 0.891 1.000 0.462 CB 1.205 14 residues pruned to eliminate duplicates Z: 15 24.116 2.246 0.428 0.921 1.000 0.786 CA 1.414 15 residues pruned to eliminate duplicates Z: 8 6.276 1.716 0.458 0.735 0.857 0.571 CB 0.895 Z: 11 19.091 1.948 0.967 0.879 0.800 0.800 CA 1.428 10 residues pruned to eliminate duplicates Z: 65 33.390 1.851 0.597 0.628 0.953 0.562 CB 1.313 72 residues pruned to eliminate duplicates Z: 17 10.645 1.722 0.878 0.838 1.000 0.500 CB 0.615 17 residues pruned to eliminate duplicates Z: 23 18.171 2.039 0.461 0.434 0.909 0.591 CB 1.530 Z: 16 26.305 2.170 0.769 0.883 0.933 0.733 CB 1.370 14 residues pruned to eliminate duplicates Z: 92 31.479 1.997 0.593 0.439 0.857 0.484 CB 1.289 76 residues pruned to eliminate duplicates Z: 19 25.464 2.089 0.440 0.865 1.000 0.722 CA 1.461 19 residues pruned to eliminate duplicates Z: 13 14.054 1.797 0.575 0.832 0.917 0.833 CA 1.174 13 residues pruned to eliminate duplicates Z: 11 10.582 2.125 0.513 0.460 0.800 0.800 CA 1.355 11 residues pruned to eliminate duplicates Z: 15 14.195 1.823 0.474 0.868 0.929 0.786 CB 1.112 15 residues pruned to eliminate duplicates Z: 6 8.439 2.050 0.744 0.597 0.600 0.600 C 1.604 7 residues pruned to eliminate duplicates Z: 21 23.928 1.914 0.775 0.828 0.950 0.850 CA 1.247 21 residues pruned to eliminate duplicates Z: 20 24.726 1.943 0.944 0.839 1.000 0.579 CB 1.121 18 residues pruned to eliminate duplicates Z: 42 25.593 2.030 0.663 0.512 0.829 0.512 CA 1.411 42 residues pruned to eliminate duplicates Z: 13 18.173 1.961 1.314 0.946 1.000 0.583 CB 0.800 13 residues pruned to eliminate duplicates Z: 20 29.104 2.033 0.727 0.920 0.947 0.737 CA 1.413 20 residues pruned to eliminate duplicates Z: 8 5.143 1.452 0.449 0.745 0.857 0.714 CA 0.865 8 residues pruned to eliminate duplicates Z: 10 25.368 1.963 1.158 0.888 1.000 0.556 CA 1.438 9 residues pruned to eliminate duplicates Z: 11 41.415 2.447 1.096 0.936 1.000 0.600 CA 1.778 11 residues pruned to eliminate duplicates Z: 13 32.775 2.241 0.854 0.893 1.000 0.750 CA 1.635 13 residues pruned to eliminate duplicates Z: 7 6.778 1.680 0.493 0.514 1.000 0.500 CA 1.088 Z: 10 5.266 1.609 0.335 0.363 0.778 0.333 CB 1.218 Z: 48 21.616 1.924 0.515 0.418 0.851 0.617 CB 1.384 37 residues pruned to eliminate duplicates Z: 70 49.187 2.219 0.730 0.604 0.928 0.565 CB 1.506 67 residues pruned to eliminate duplicates Z: 20 16.597 1.884 0.789 0.540 0.842 0.684 CB 1.290 20 residues pruned to eliminate duplicates Z: 24 20.241 1.952 0.612 0.485 1.000 0.652 CB 1.362 24 residues pruned to eliminate duplicates Z: 20 22.568 2.121 0.452 0.847 0.947 0.632 CA 1.317 20 residues pruned to eliminate duplicates Z: 49 20.479 1.912 0.483 0.470 0.792 0.396 CB 1.358 49 residues pruned to eliminate duplicates Z: 21 23.170 2.145 0.423 0.861 0.950 0.600 CA 1.314 21 residues pruned to eliminate duplicates Z: 18 19.994 1.823 0.462 0.866 1.000 0.647 CB 1.332 18 residues pruned to eliminate duplicates Z: 19 20.471 2.048 0.629 0.589 0.889 0.722 CA 1.495 17 residues pruned to eliminate duplicates Z: 13 12.066 2.064 0.507 0.572 1.000 0.833 CB 1.045 13 residues pruned to eliminate duplicates Z: 15 39.236 2.210 1.289 0.922 1.000 0.429 CA 1.458 15 residues pruned to eliminate duplicates Z: 40 19.181 1.957 0.417 0.426 0.872 0.564 CB 1.372 40 residues pruned to eliminate duplicates Z: 11 19.640 1.957 1.199 0.884 0.900 0.700 CA 1.158 12 residues pruned to eliminate duplicates Z: 14 38.442 2.294 1.263 0.935 1.000 0.615 CB 1.431 15 residues pruned to eliminate duplicates Z: 25 13.667 1.914 0.410 0.432 0.875 0.583 CB 1.268 25 residues pruned to eliminate duplicates Z: 11 10.743 1.627 0.645 0.798 1.000 0.600 CB 0.978 11 residues pruned to eliminate duplicates Z: 26 23.115 2.195 0.692 0.553 0.880 0.560 CB 1.344 26 residues pruned to eliminate duplicates Z: 16 16.935 2.031 1.092 0.445 0.867 0.667 CA 1.257 16 residues pruned to eliminate duplicates Z: 15 15.695 1.919 0.674 0.939 1.000 0.857 CB 0.907 15 residues pruned to eliminate duplicates Z: 20 32.353 2.210 0.756 0.891 1.000 0.842 CA 1.375 20 residues pruned to eliminate duplicates Z: 20 14.486 1.939 0.503 0.433 0.895 0.474 CB 1.365 20 residues pruned to eliminate duplicates Z: 18 17.468 1.764 0.612 0.845 0.824 0.529 CA 1.345 18 residues pruned to eliminate duplicates Z: 9 8.820 1.987 0.148 0.851 0.875 0.875 CA 1.157 9 residues pruned to eliminate duplicates Z: 27 28.157 2.070 0.547 0.690 0.923 0.692 CA 1.570 27 residues pruned to eliminate duplicates Z: 6 6.417 1.605 1.028 0.752 0.800 0.600 CA 0.881 6 residues pruned to eliminate duplicates Z: 7 5.584 1.985 0.190 0.469 0.833 0.500 CB 1.195 Z: 34 18.934 1.792 0.606 0.523 0.970 0.667 CB 1.154 10 residues pruned to eliminate duplicates Z: 16 17.548 2.048 0.338 0.923 1.000 0.933 CA 1.162 16 residues pruned to eliminate duplicates Z: 34 18.244 1.785 0.488 0.580 0.970 0.545 CB 1.141 44 residues pruned to eliminate duplicates Z: 49 25.111 1.877 0.639 0.571 0.875 0.542 CB 1.257 49 residues pruned to eliminate duplicates Z: 20 28.243 1.998 1.187 0.839 0.947 0.632 CB 1.169 20 residues pruned to eliminate duplicates Z: 43 15.885 1.867 0.580 0.372 0.810 0.524 CB 1.177 43 residues pruned to eliminate duplicates Z: 16 16.364 1.726 0.536 0.833 0.933 0.600 CB 1.281 Z: 19 24.686 2.034 0.620 0.851 0.889 0.778 CB 1.470 19 residues pruned to eliminate duplicates Z: 20 21.789 2.018 0.484 0.886 0.947 0.579 CA 1.271 20 residues pruned to eliminate duplicates Z: 7 9.334 2.294 0.078 0.874 0.833 0.833 CB 1.346 7 residues pruned to eliminate duplicates Z: 41 26.318 1.911 0.866 0.607 0.900 0.575 CB 1.171 81 residues pruned to eliminate duplicates Z: 7 9.915 1.952 0.563 0.715 0.833 0.833 CB 1.311 7 residues pruned to eliminate duplicates Z: 33 22.788 2.019 0.597 0.577 0.844 0.594 CB 1.374 33 residues pruned to eliminate duplicates Z: 18 25.265 2.111 0.764 0.702 0.882 0.765 CA 1.552 18 residues pruned to eliminate duplicates Z: 36 23.732 1.940 0.537 0.593 0.886 0.571 CA 1.389 36 residues pruned to eliminate duplicates Z: 14 8.445 1.643 0.387 0.493 0.923 0.615 CA 1.122 Z: 16 29.536 2.082 0.935 0.888 1.000 0.733 CB 1.363 18 residues pruned to eliminate duplicates Z: 13 19.783 1.789 0.993 0.895 1.000 0.750 CA 1.148 12 residues pruned to eliminate duplicates Z: 25 11.744 1.836 0.610 0.291 0.792 0.458 CB 1.295 Z: 10 12.295 1.689 0.371 0.816 1.000 1.000 CA 1.345 10 residues pruned to eliminate duplicates Z: 55 23.626 2.014 0.453 0.467 0.833 0.537 CB 1.364 74 residues pruned to eliminate duplicates Z: 28 16.144 1.827 0.463 0.460 0.963 0.407 CB 1.258 16 residues pruned to eliminate duplicates Z: 18 17.470 1.825 0.552 0.836 0.882 0.588 CA 1.270 18 residues pruned to eliminate duplicates Z: 8 9.316 1.766 0.379 0.861 1.000 0.857 CA 1.062 8 residues pruned to eliminate duplicates Z: 14 4.385 1.674 0.433 0.236 0.692 0.308 CB 0.995 Z: 16 28.153 2.132 0.932 0.905 0.933 0.400 CB 1.346 Z: 45 33.918 2.148 0.728 0.553 0.932 0.636 CA 1.404 45 residues pruned to eliminate duplicates Z: 72 42.312 2.157 0.724 0.566 0.915 0.592 CB 1.383 88 residues pruned to eliminate duplicates Z: 7 3.843 2.010 0.842 0.411 0.667 0.667 CB 0.698 Z: 12 20.879 1.818 1.079 0.872 1.000 0.727 CA 1.214 Z: 8 5.290 1.756 0.268 0.392 0.857 0.571 CB 1.175 8 residues pruned to eliminate duplicates Z: 21 18.653 1.966 0.780 0.621 0.900 0.450 CA 1.180 12 residues pruned to eliminate duplicates Z: 15 16.723 1.767 0.488 0.847 1.000 0.786 CA 1.262 15 residues pruned to eliminate duplicates Z: 7 3.730 1.679 0.265 0.535 0.833 0.500 CB 0.831 Z: 7 4.640 1.646 0.542 0.348 0.833 0.333 O 1.056 7 residues pruned to eliminate duplicates Z: 9 10.253 1.565 0.777 0.874 1.000 0.750 CA 0.948 Z: 19 19.919 1.940 0.632 0.588 0.944 0.667 CB 1.443 19 residues pruned to eliminate duplicates Z: 6 6.342 1.700 0.545 0.491 1.000 0.800 O 1.089 Z: 56 25.197 1.988 0.562 0.452 0.818 0.545 CB 1.404 56 residues pruned to eliminate duplicates Z: 13 31.426 2.253 1.023 0.894 0.917 0.750 CA 1.558 13 residues pruned to eliminate duplicates Z: 8 11.091 1.821 0.830 0.721 1.000 0.714 CB 1.031 Z: 19 21.456 2.011 0.346 0.929 0.944 0.611 CA 1.385 19 residues pruned to eliminate duplicates Z: 13 4.907 1.483 0.450 0.388 0.750 0.250 CB 0.990 Z: 9 5.471 1.975 0.279 0.504 0.750 0.625 CB 1.016 9 residues pruned to eliminate duplicates Z: 17 13.249 1.759 0.376 0.836 0.875 0.750 CB 1.171 17 residues pruned to eliminate duplicates Z: 15 10.836 1.526 0.392 0.711 1.000 0.643 CA 1.126 15 residues pruned to eliminate duplicates Z: 9 4.408 1.574 0.200 0.337 0.875 0.625 N 1.127 9 residues pruned to eliminate duplicates Z: 45 23.466 2.049 0.576 0.489 0.818 0.545 CA 1.353 45 residues pruned to eliminate duplicates Z: 15 16.302 1.753 0.408 0.861 1.000 0.786 CA 1.298 15 residues pruned to eliminate duplicates Z: 19 39.722 2.259 0.834 0.915 1.000 0.889 CA 1.598 Z: 15 11.213 1.589 0.609 0.933 1.000 0.929 CB 0.818 Z: 17 21.581 1.697 0.868 0.855 1.000 0.625 CB 1.255 16 residues pruned to eliminate duplicates Z: 16 11.644 1.843 0.208 0.849 0.933 0.800 CB 1.072 16 residues pruned to eliminate duplicates Z: 10 4.718 1.616 0.375 0.378 0.667 0.444 C 1.210 Z: 13 15.973 2.170 0.188 0.876 1.000 1.000 CA 1.299 13 residues pruned to eliminate duplicates Z: 37 19.290 1.952 0.509 0.393 0.917 0.389 CB 1.333 37 residues pruned to eliminate duplicates Z: 12 19.185 2.305 0.310 0.924 1.000 0.909 CA 1.345 12 residues pruned to eliminate duplicates Z: 8 5.792 1.555 0.360 0.725 0.857 0.429 CB 0.986 8 residues pruned to eliminate duplicates Z: 11 16.302 2.074 0.510 0.881 0.900 0.800 CA 1.324 11 residues pruned to eliminate duplicates Z: 15 13.974 2.055 0.081 0.942 1.000 1.000 CA 1.165 15 residues pruned to eliminate duplicates Z: 55 27.869 2.032 0.541 0.445 0.889 0.593 CB 1.441 55 residues pruned to eliminate duplicates Z: 16 29.572 2.122 0.769 0.753 1.000 0.667 CA 1.623 16 residues pruned to eliminate duplicates Z: 6 2.345 1.498 0.356 0.356 0.800 0.400 CB 0.754 Z: 11 13.660 1.897 0.579 0.873 0.900 0.400 CA 1.167 11 residues pruned to eliminate duplicates Z: 6 8.428 1.677 0.522 0.838 1.000 0.800 CA 1.103 6 residues pruned to eliminate duplicates Z: 10 8.093 1.765 0.602 0.920 1.000 0.778 CB 0.672 9 residues pruned to eliminate duplicates Z: 15 38.068 2.188 1.180 0.935 1.000 0.643 CB 1.486 Z: 54 26.534 1.797 0.698 0.629 0.981 0.604 CB 1.078 46 residues pruned to eliminate duplicates Z: 18 22.437 2.237 0.676 0.612 0.882 0.647 CB 1.480 13 residues pruned to eliminate duplicates Z: 15 11.803 2.008 0.236 0.508 0.857 0.643 CB 1.471 15 residues pruned to eliminate duplicates Z: 8 3.008 1.672 -0.068 0.499 0.714 0.429 C 1.022 Z: 11 9.428 1.718 0.689 0.648 0.800 0.700 CA 1.119 11 residues pruned to eliminate duplicates Z: 12 8.757 1.834 0.798 0.546 0.636 0.545 CA 1.203 12 residues pruned to eliminate duplicates Z: 6 8.760 1.823 0.638 0.486 1.000 0.600 CB 1.331 Z: 10 7.080 1.884 0.363 0.488 0.778 0.444 CB 1.196 10 residues pruned to eliminate duplicates Z: 16 14.804 1.832 0.673 0.574 0.933 0.733 CA 1.245 16 residues pruned to eliminate duplicates Z: 65 26.805 1.970 0.583 0.454 0.812 0.438 CB 1.387 65 residues pruned to eliminate duplicates Z: 18 15.591 1.995 0.577 0.480 0.882 0.588 CB 1.390 37 residues pruned to eliminate duplicates Z: 23 11.356 1.804 0.414 0.460 0.909 0.545 CB 1.088 23 residues pruned to eliminate duplicates Z: 31 26.295 2.009 0.738 0.554 0.867 0.533 CB 1.505 31 residues pruned to eliminate duplicates Z: 86 37.861 2.100 0.635 0.512 0.882 0.518 CB 1.339 106 residues pruned to eliminate duplicates Z: 8 9.697 1.966 0.538 0.508 0.857 0.571 CA 1.403 8 residues pruned to eliminate duplicates Z: 16 18.091 1.820 0.473 0.871 1.000 0.533 CB 1.271 16 residues pruned to eliminate duplicates Z: 16 10.878 1.759 0.398 0.509 0.867 0.667 CA 1.306 16 residues pruned to eliminate duplicates Z: 61 25.522 1.958 0.446 0.402 0.917 0.517 CB 1.407 61 residues pruned to eliminate duplicates Z: 25 32.275 2.194 0.967 0.672 0.958 0.667 CA 1.360 25 residues pruned to eliminate duplicates Z: 19 7.773 1.615 0.286 0.452 0.944 0.333 CB 0.981 19 residues pruned to eliminate duplicates Z: 11 8.314 1.754 0.088 0.733 0.800 0.600 N 1.396 11 residues pruned to eliminate duplicates Z: 19 17.178 1.958 0.412 0.868 0.944 0.833 CA 1.134 19 residues pruned to eliminate duplicates Z: 16 14.894 1.922 0.812 0.343 0.867 0.467 CB 1.511 16 residues pruned to eliminate duplicates Z: 7 4.403 1.751 0.242 0.372 0.833 0.833 CA 1.137 Z: 7 6.323 1.669 0.527 0.551 0.833 0.667 CA 1.156 Z: 16 16.376 1.723 0.541 0.865 1.000 0.733 CB 1.166 16 residues pruned to eliminate duplicates Z: 28 24.894 1.885 0.775 0.566 1.000 0.667 CB 1.343 28 residues pruned to eliminate duplicates Z: 11 16.188 1.923 0.729 0.900 1.000 0.800 CB 1.100 11 residues pruned to eliminate duplicates Z: 30 10.987 1.788 0.480 0.307 0.793 0.552 CB 1.206 30 residues pruned to eliminate duplicates Z: 9 6.676 1.752 0.577 0.319 0.875 0.250 CB 1.192 9 residues pruned to eliminate duplicates Z: 8 8.648 1.621 0.610 0.732 1.000 0.714 CA 1.017 8 residues pruned to eliminate duplicates Z: 7 6.472 1.682 0.440 0.706 0.833 0.833 CB 1.085 10 residues pruned to eliminate duplicates Z: 6 5.437 1.653 0.119 0.743 1.000 0.600 CB 1.058 6 residues pruned to eliminate duplicates Z: 9 4.995 1.498 0.326 0.369 0.875 0.625 N 1.170 7 residues pruned to eliminate duplicates Z: 6 3.531 1.746 0.384 0.483 0.800 0.600 CB 0.831 Z: 18 25.712 1.993 1.008 0.851 0.941 0.529 CA 1.226 18 residues pruned to eliminate duplicates Z: 10 19.614 2.046 0.701 0.857 1.000 0.778 CA 1.384 Z: 16 13.827 1.691 0.273 0.827 1.000 0.933 CB 1.251 16 residues pruned to eliminate duplicates Z: 49 36.166 2.158 0.774 0.638 0.896 0.500 CB 1.337 59 residues pruned to eliminate duplicates Z: 8 5.388 1.598 0.457 0.389 0.857 0.429 CB 1.148 9 residues pruned to eliminate duplicates Z: 23 15.464 2.056 0.428 0.491 0.909 0.591 CB 1.246 23 residues pruned to eliminate duplicates Z: 32 20.167 1.828 0.534 0.576 0.935 0.419 CB 1.283 32 residues pruned to eliminate duplicates Z: 15 12.793 1.718 0.192 0.841 1.000 0.929 CA 1.245 15 residues pruned to eliminate duplicates Z: 7 5.198 1.650 0.693 0.470 0.833 0.500 CA 0.940 7 residues pruned to eliminate duplicates Z: 16 14.177 1.818 0.237 0.847 1.000 0.467 CB 1.208 16 residues pruned to eliminate duplicates Z: 6 10.832 1.735 0.525 0.861 1.000 0.400 CB 1.346 6 residues pruned to eliminate duplicates Z: 7 2.797 1.519 -0.093 0.624 0.833 0.333 CA 0.885 Z: 76 33.817 1.966 0.532 0.535 0.920 0.573 CB 1.362 76 residues pruned to eliminate duplicates Z: 6 3.787 1.942 0.707 0.495 0.600 0.400 CB 0.856 Z: 51 24.228 2.003 0.559 0.399 0.880 0.560 CB 1.387 51 residues pruned to eliminate duplicates Z: 6 5.201 1.721 0.018 0.624 1.000 0.800 CB 1.181 8 residues pruned to eliminate duplicates Z: 7 6.762 1.755 0.858 0.649 0.833 0.833 CB 0.884 Z: 19 28.701 2.065 0.830 0.910 0.833 0.722 CB 1.524 19 residues pruned to eliminate duplicates Z: 11 6.653 1.597 0.432 0.761 0.900 0.600 CB 0.811 11 residues pruned to eliminate duplicates Z: 36 22.943 2.065 0.544 0.447 0.886 0.629 CB 1.450 36 residues pruned to eliminate duplicates Z: 9 11.019 1.736 0.657 0.864 1.000 0.500 CB 0.993 9 residues pruned to eliminate duplicates Z: 40 16.526 1.964 0.465 0.401 0.821 0.436 CB 1.244 40 residues pruned to eliminate duplicates Z: 17 16.369 1.798 0.390 0.863 1.000 0.688 CA 1.202 17 residues pruned to eliminate duplicates Z: 15 19.475 1.872 1.155 0.946 1.000 0.357 CB 0.892 15 residues pruned to eliminate duplicates Z: 18 14.984 1.774 0.736 0.847 1.000 0.588 CB 0.876 18 residues pruned to eliminate duplicates Z: 41 12.772 1.911 0.185 0.346 0.875 0.450 CB 1.204 41 residues pruned to eliminate duplicates Z: 30 24.518 2.100 0.669 0.637 0.793 0.448 CB 1.441 30 residues pruned to eliminate duplicates Z: 19 23.894 2.030 0.405 0.871 0.944 0.778 CA 1.525 19 residues pruned to eliminate duplicates Z: 24 18.683 1.886 0.603 0.613 0.957 0.739 CB 1.211 24 residues pruned to eliminate duplicates Z: 16 16.131 1.976 0.232 0.918 1.000 0.867 CA 1.206 16 residues pruned to eliminate duplicates Z: 12 21.929 1.905 1.045 0.932 1.000 1.000 CA 1.185 13 residues pruned to eliminate duplicates Z: 64 50.379 2.222 0.773 0.621 0.968 0.619 CB 1.485 64 residues pruned to eliminate duplicates Z: 17 11.923 1.506 0.469 0.886 1.000 0.750 CB 0.972 16 residues pruned to eliminate duplicates Z: 7 7.498 1.654 0.683 0.598 0.833 0.333 CB 1.202 Z: 17 16.806 1.685 0.566 0.789 1.000 0.812 CB 1.235 17 residues pruned to eliminate duplicates Z: 10 6.918 1.708 0.427 0.308 1.000 0.333 CA 1.171 10 residues pruned to eliminate duplicates Z: 10 6.388 1.598 0.249 0.615 0.889 0.667 CB 1.077 10 residues pruned to eliminate duplicates Z: 9 6.778 1.633 0.638 0.458 1.000 0.500 CA 0.935 9 residues pruned to eliminate duplicates Z: 48 17.636 1.910 0.510 0.352 0.809 0.468 CB 1.295 48 residues pruned to eliminate duplicates Z: 8 3.092 1.746 0.126 0.436 0.571 0.429 CB 1.111 Z: 6 6.502 1.224 0.607 0.866 1.000 0.800 N 1.082 Z: 27 15.729 1.998 0.328 0.531 0.885 0.615 CB 1.275 27 residues pruned to eliminate duplicates Z: 10 5.850 1.791 -0.035 0.356 0.889 0.667 CB 1.481 6 residues pruned to eliminate duplicates Z: 13 12.256 1.629 0.904 0.897 0.917 0.583 CB 0.891 13 residues pruned to eliminate duplicates Z: 10 11.498 1.746 0.430 0.836 1.000 0.889 CB 1.150 10 residues pruned to eliminate duplicates Z: 14 24.762 2.066 0.811 0.895 1.000 0.615 CA 1.316 14 residues pruned to eliminate duplicates Z: 16 16.995 1.752 0.481 0.854 1.000 0.733 CB 1.249 16 residues pruned to eliminate duplicates Z: 16 17.448 2.077 0.579 0.600 0.933 0.800 CB 1.338 16 residues pruned to eliminate duplicates Z: 12 14.266 1.876 0.681 0.667 0.909 0.636 CB 1.286 12 residues pruned to eliminate duplicates Z: 15 20.105 2.082 0.524 0.664 1.000 0.857 CB 1.455 15 residues pruned to eliminate duplicates Z: 28 30.022 2.010 0.705 0.682 0.926 0.630 CB 1.541 28 residues pruned to eliminate duplicates Z: 15 13.865 2.103 0.761 0.353 0.857 0.571 CB 1.368 15 residues pruned to eliminate duplicates Z: 15 36.190 2.183 1.115 0.915 1.000 0.643 CA 1.481 Z: 12 6.417 1.557 0.394 0.502 0.909 0.545 CB 0.979 12 residues pruned to eliminate duplicates Z: 25 14.629 2.056 0.281 0.487 0.875 0.500 CB 1.313 25 residues pruned to eliminate duplicates Z: 25 25.269 2.159 0.649 0.595 0.958 0.583 CB 1.381 40 residues pruned to eliminate duplicates Z: 6 4.111 1.473 1.133 0.490 0.600 0.600 CB 0.985 6 1.812 1.496 0.338 0.292 0.600 0.400 CB 0.853 ? Z: 11 11.481 1.740 0.643 0.777 0.900 0.800 CB 1.105 11 residues pruned to eliminate duplicates Z: 6 6.145 1.417 0.474 0.779 1.000 0.800 CA 1.029 6 residues pruned to eliminate duplicates Z: 15 9.540 1.539 0.203 0.918 1.000 0.714 CB 0.971 15 residues pruned to eliminate duplicates Z: 8 9.275 1.712 0.594 0.823 1.000 1.000 CB 0.971 8 residues pruned to eliminate duplicates Z: 13 8.621 1.521 0.437 0.745 0.917 0.667 CB 0.998 13 residues pruned to eliminate duplicates Z: 11 5.962 1.691 0.183 0.582 0.900 0.800 CB 0.968 Z: 7 9.763 1.553 0.743 0.698 1.000 0.500 CA 1.228 7 residues pruned to eliminate duplicates Z: 41 13.074 1.787 0.333 0.341 0.825 0.475 CB 1.250 43 residues pruned to eliminate duplicates 8 1.891 1.302 0.211 0.231 0.571 0.286 CB 1.085 ? Z: 15 13.734 1.618 0.828 0.897 1.000 0.286 CB 0.888 16 residues pruned to eliminate duplicates Z: 15 4.915 1.642 0.695 0.254 0.714 0.286 CB 0.877 15 residues pruned to eliminate duplicates Z: 40 26.818 2.029 0.809 0.525 0.872 0.385 CA 1.310 40 residues pruned to eliminate duplicates Z: 9 9.670 1.726 0.510 0.876 1.000 0.875 CB 0.954 9 residues pruned to eliminate duplicates Z: 17 14.727 1.802 0.359 0.858 1.000 0.625 CA 1.107 17 residues pruned to eliminate duplicates Z: 9 8.890 1.796 0.071 0.844 1.000 0.875 CA 1.215 9 residues pruned to eliminate duplicates Z: 11 11.843 1.865 0.963 0.435 0.900 0.700 CB 1.216 Z: 7 4.518 1.656 0.727 0.398 1.000 0.333 CB 0.719 Z: 18 19.167 1.823 0.452 0.846 0.941 0.706 CB 1.386 18 residues pruned to eliminate duplicates Z: 17 12.364 1.579 0.550 0.920 1.000 0.875 CB 0.890 15 residues pruned to eliminate duplicates Z: 11 17.026 1.916 0.643 0.898 1.000 0.900 CA 1.223 11 residues pruned to eliminate duplicates Z: 22 15.997 1.818 0.908 0.567 0.762 0.524 CB 1.239 22 residues pruned to eliminate duplicates Z: 7 8.383 1.969 0.409 0.468 1.000 0.833 CB 1.274 6 residues pruned to eliminate duplicates Z: 7 3.278 1.660 0.298 0.359 0.833 0.500 CB 0.867 7 residues pruned to eliminate duplicates Z: 20 26.393 2.031 0.966 0.791 0.895 0.684 CB 1.314 20 residues pruned to eliminate duplicates Z: 47 25.294 1.885 0.649 0.595 0.913 0.630 CB 1.199 47 residues pruned to eliminate duplicates Z: 6 5.346 1.682 0.346 0.635 1.000 1.000 CB 0.930 Z: 6 4.490 1.855 0.289 0.371 1.000 0.400 CA 0.964 6 residues pruned to eliminate duplicates Z: 16 18.041 1.845 0.543 0.900 1.000 0.533 CA 1.169 16 residues pruned to eliminate duplicates Z: 7 3.944 1.646 0.058 0.602 0.833 0.667 C 1.007 Z: 7 9.744 1.827 0.456 0.854 1.000 0.833 CB 1.104 7 residues pruned to eliminate duplicates Z: 16 8.624 1.630 0.216 0.832 1.000 0.667 CB 0.844 16 residues pruned to eliminate duplicates Z: 11 3.881 1.535 -0.091 0.403 1.000 0.300 CB 0.974 Z: 30 24.528 2.043 0.430 0.675 0.931 0.793 CA 1.425 30 residues pruned to eliminate duplicates Z: 14 7.299 1.719 0.503 0.334 0.846 0.538 CB 1.111 14 residues pruned to eliminate duplicates Z: 6 4.946 1.359 0.909 0.555 0.800 0.400 CA 1.011 6 residues pruned to eliminate duplicates Z: 18 21.259 2.068 0.733 0.641 0.882 0.824 CA 1.429 18 residues pruned to eliminate duplicates Z: 21 14.188 1.844 0.645 0.458 0.900 0.600 CB 1.212 23 residues pruned to eliminate duplicates Z: 11 22.106 1.897 0.905 0.895 1.000 0.700 CA 1.386 10 residues pruned to eliminate duplicates Z: 9 10.045 1.809 0.599 0.649 0.875 0.625 CB 1.221 9 residues pruned to eliminate duplicates Z: 22 15.679 2.087 0.447 0.497 0.857 0.571 CB 1.326 22 residues pruned to eliminate duplicates Z: 18 19.320 1.989 0.509 0.619 0.941 0.765 CA 1.483 18 residues pruned to eliminate duplicates Z: 22 14.966 2.047 0.346 0.546 0.905 0.571 CB 1.252 22 residues pruned to eliminate duplicates Z: 19 22.150 1.980 0.497 0.864 0.944 0.667 CA 1.368 19 residues pruned to eliminate duplicates Z: 14 29.745 2.162 0.878 0.911 1.000 0.692 CA 1.440 14 residues pruned to eliminate duplicates Z: 34 20.091 1.952 0.429 0.518 0.970 0.576 CB 1.271 34 residues pruned to eliminate duplicates Z: 27 25.232 2.063 0.910 0.616 0.885 0.500 CB 1.272 28 residues pruned to eliminate duplicates Z: 7 7.475 1.682 0.475 0.545 0.833 0.667 CB 1.412 6 residues pruned to eliminate duplicates Z: 12 17.373 1.737 0.913 0.913 1.000 0.545 CA 1.116 12 residues pruned to eliminate duplicates Z: 28 10.809 1.816 0.409 0.348 0.741 0.370 CB 1.294 28 residues pruned to eliminate duplicates Z: 48 38.832 2.162 0.690 0.647 0.915 0.617 CB 1.478 48 residues pruned to eliminate duplicates Z: 6 7.671 1.702 0.958 0.449 1.000 0.800 N 1.084 Z: 6 11.196 1.844 0.658 0.571 1.000 0.600 CA 1.529 6 residues pruned to eliminate duplicates Z: 6 7.412 1.490 0.597 0.672 1.000 0.400 O 1.189 Z: 19 22.084 2.075 0.375 0.911 0.944 0.667 CA 1.369 19 residues pruned to eliminate duplicates Z: 6 7.703 1.959 0.127 0.848 1.000 0.800 CA 1.157 6 residues pruned to eliminate duplicates Z: 15 7.864 1.590 0.187 0.913 1.000 1.000 CB 0.788 15 residues pruned to eliminate duplicates Z: 8 4.225 1.563 -0.183 0.535 1.000 0.714 CB 1.207 Z: 9 6.243 1.727 0.619 0.782 0.875 0.625 CB 0.704 Z: 14 8.340 1.558 0.464 0.542 0.846 0.692 CA 1.150 10 residues pruned to eliminate duplicates Z: 7 2.823 1.299 0.660 0.248 0.667 0.500 C 1.071 7 residues pruned to eliminate duplicates Z: 9 4.126 1.641 0.214 0.234 0.750 0.500 N 1.331 Z: 13 11.360 1.673 1.186 0.926 1.000 0.583 CB 0.628 13 residues pruned to eliminate duplicates Z: 11 7.887 1.706 0.522 0.439 0.700 0.500 N 1.461 11 residues pruned to eliminate duplicates Z: 11 7.048 1.666 0.639 0.533 0.800 0.600 CB 0.987 11 residues pruned to eliminate duplicates Z: 28 21.846 1.886 0.647 0.586 0.963 0.741 CB 1.294 28 residues pruned to eliminate duplicates Z: 58 26.606 1.817 0.663 0.550 0.895 0.632 CA 1.242 58 residues pruned to eliminate duplicates Z: 21 22.791 1.938 0.484 0.654 1.000 0.750 CB 1.535 21 residues pruned to eliminate duplicates Z: 15 14.220 1.837 0.348 0.854 1.000 0.714 CB 1.133 15 residues pruned to eliminate duplicates Z: 13 6.557 1.564 0.328 0.600 0.833 0.583 CB 0.994 13 residues pruned to eliminate duplicates Z: 76 38.960 2.050 0.572 0.550 0.947 0.520 CB 1.405 131 residues pruned to eliminate duplicates Z: 12 3.013 1.473 0.170 0.368 0.727 0.545 CB 0.835 13 residues pruned to eliminate duplicates Z: 8 6.425 1.712 0.232 0.869 1.000 0.571 CB 0.840 8 residues pruned to eliminate duplicates Z: 27 14.081 1.891 0.373 0.459 0.885 0.577 CB 1.254 Z: 10 8.569 1.722 0.253 0.763 1.000 0.667 CA 1.048 10 residues pruned to eliminate duplicates Z: 15 8.857 1.595 0.143 0.935 1.000 0.857 CB 0.905 15 residues pruned to eliminate duplicates Z: 42 19.069 1.709 0.717 0.654 0.951 0.585 CB 0.925 42 residues pruned to eliminate duplicates Z: 13 12.467 1.743 0.650 0.505 1.000 0.750 CB 1.245 12 residues pruned to eliminate duplicates Z: 17 17.344 1.937 0.307 0.937 1.000 0.938 CA 1.191 17 residues pruned to eliminate duplicates Z: 7 3.379 1.472 0.327 0.427 1.000 0.333 CB 0.762 Z: 15 12.099 1.618 0.675 0.905 1.000 1.000 CB 0.849 15 residues pruned to eliminate duplicates Z: 6 4.012 1.247 0.590 0.775 0.800 0.600 CB 0.887 Z: 15 13.475 1.816 0.313 0.829 1.000 0.857 CB 1.136 15 residues pruned to eliminate duplicates Z: 23 17.844 2.027 0.491 0.372 0.909 0.636 CA 1.588 23 residues pruned to eliminate duplicates Z: 14 12.569 1.873 0.071 0.775 1.000 0.923 CA 1.363 14 residues pruned to eliminate duplicates Z: 15 10.869 1.597 0.657 0.924 0.929 0.500 CB 0.830 15 residues pruned to eliminate duplicates Z: 7 6.163 1.216 0.780 0.746 1.000 0.667 N 0.933 Z: 26 26.996 2.036 1.017 0.701 0.960 0.360 CB 1.140 13 residues pruned to eliminate duplicates Z: 8 6.176 1.765 0.368 0.252 1.000 0.571 CA 1.285 8 residues pruned to eliminate duplicates Z: 12 11.481 1.791 0.524 0.655 0.909 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 7 7.968 1.604 0.733 0.488 1.000 0.667 O 1.184 7 residues pruned to eliminate duplicates Z: 10 4.107 1.421 0.701 0.450 0.667 0.556 CB 0.894 Z: 10 10.804 1.597 0.901 0.712 1.000 0.444 CB 0.979 10 residues pruned to eliminate duplicates Z: 6 4.689 1.421 0.582 0.620 1.000 0.400 CB 0.833 Z: 17 20.276 1.736 0.754 0.860 1.000 0.750 CB 1.224 17 residues pruned to eliminate duplicates Z: 19 19.644 1.825 0.633 0.789 0.944 0.667 CB 1.277 19 residues pruned to eliminate duplicates Z: 11 14.545 2.270 0.918 0.912 0.700 0.300 CB 1.068 11 residues pruned to eliminate duplicates Z: 39 15.269 1.921 0.424 0.455 0.842 0.500 CB 1.126 63 residues pruned to eliminate duplicates Z: 12 13.590 2.125 0.459 0.583 0.818 0.545 CB 1.492 15 residues pruned to eliminate duplicates Z: 41 24.485 1.831 0.703 0.539 0.925 0.650 CB 1.292 41 residues pruned to eliminate duplicates Z: 71 30.436 1.829 0.646 0.538 0.914 0.514 CB 1.274 71 residues pruned to eliminate duplicates Z: 14 13.514 1.808 0.288 0.858 1.000 0.769 CA 1.185 14 residues pruned to eliminate duplicates Z: 28 12.483 1.960 0.334 0.339 0.815 0.444 CB 1.343 28 residues pruned to eliminate duplicates Z: 17 18.637 1.739 0.550 0.847 1.000 0.688 CB 1.283 17 residues pruned to eliminate duplicates Z: 6 2.546 1.498 0.234 0.835 0.800 0.800 CB 0.577 6 residues pruned to eliminate duplicates Z: 15 8.232 1.674 0.627 0.456 0.786 0.571 CA 1.076 10 residues pruned to eliminate duplicates Z: 6 2.848 1.517 0.280 0.302 0.800 0.400 CB 1.022 Z: 17 15.994 1.989 0.708 0.374 0.938 0.562 CB 1.437 17 residues pruned to eliminate duplicates Z: 7 2.316 1.560 0.131 0.393 0.500 0.500 N 1.200 Z: 12 10.739 1.858 1.041 0.453 0.909 0.727 CB 0.986 Z: 8 11.357 1.780 0.561 0.892 1.000 1.000 CB 1.110 8 residues pruned to eliminate duplicates Z: 8 10.299 1.675 0.585 0.638 1.000 0.714 CB 1.288 12 residues pruned to eliminate duplicates Z: 7 3.471 1.389 0.440 0.392 0.833 0.500 C 0.953 Z: 10 10.431 1.727 0.450 0.802 1.000 0.667 CA 1.067 10 residues pruned to eliminate duplicates Z: 11 20.157 1.921 1.062 0.921 0.900 0.600 CA 1.258 11 residues pruned to eliminate duplicates Z: 21 18.043 2.027 0.510 0.488 0.850 0.450 CB 1.568 21 residues pruned to eliminate duplicates Z: 38 20.466 2.026 0.547 0.405 0.919 0.486 CB 1.290 43 residues pruned to eliminate duplicates Z: 12 17.147 2.142 0.551 0.909 1.000 1.000 CA 1.104 12 residues pruned to eliminate duplicates Z: 47 36.767 2.109 0.737 0.554 0.913 0.500 CB 1.537 53 residues pruned to eliminate duplicates 6 1.935 1.490 0.474 0.428 0.800 0.600 CB 0.531 ? Z: 27 17.306 1.834 0.517 0.487 0.885 0.462 CB 1.397 28 residues pruned to eliminate duplicates Z: 27 14.592 1.869 0.552 0.441 0.846 0.500 CB 1.240 27 residues pruned to eliminate duplicates Z: 19 19.170 1.667 0.716 0.857 0.944 0.722 CA 1.233 19 residues pruned to eliminate duplicates Z: 18 8.768 1.796 0.241 0.426 0.824 0.471 CB 1.251 18 residues pruned to eliminate duplicates Z: 11 10.274 1.742 0.464 0.635 1.000 0.600 CA 1.122 11 residues pruned to eliminate duplicates Z: 17 15.562 1.777 0.276 0.888 1.000 0.625 CB 1.236 17 residues pruned to eliminate duplicates Z: 7 2.286 1.748 0.169 0.169 0.667 0.167 CB 1.024 7 residues pruned to eliminate duplicates Z: 9 8.607 1.755 0.939 0.502 0.875 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 11 7.245 1.590 0.267 0.667 0.900 0.500 CA 1.083 11 residues pruned to eliminate duplicates Z: 6 5.051 1.572 0.472 0.298 1.000 0.800 CA 1.223 Z: 17 7.136 1.646 0.206 0.310 0.875 0.438 CB 1.268 17 residues pruned to eliminate duplicates Z: 10 6.830 1.515 0.643 0.919 1.000 0.889 CB 0.645 10 residues pruned to eliminate duplicates Z: 16 12.786 1.557 0.724 0.932 1.000 0.733 CB 0.859 16 residues pruned to eliminate duplicates Z: 15 11.930 1.893 0.470 0.881 0.929 0.571 CB 0.894 15 residues pruned to eliminate duplicates Z: 9 3.523 1.608 0.251 0.483 0.750 0.500 CB 0.840 Z: 7 3.732 1.575 0.246 0.526 0.833 0.667 CB 0.908 Z: 9 11.008 1.795 0.541 0.773 1.000 0.750 CA 1.106 9 residues pruned to eliminate duplicates Z: 18 13.504 1.731 0.249 0.833 1.000 0.765 CA 1.136 18 residues pruned to eliminate duplicates Z: 36 12.673 1.728 0.616 0.311 0.800 0.486 CB 1.183 32 residues pruned to eliminate duplicates Z: 20 15.006 2.021 0.537 0.503 0.842 0.632 CA 1.312 20 residues pruned to eliminate duplicates Z: 24 20.287 1.944 0.695 0.574 0.913 0.696 CA 1.310 24 residues pruned to eliminate duplicates Z: 6 4.792 1.360 0.460 0.768 1.000 0.800 CA 0.851 Z: 16 6.961 1.507 0.618 0.307 0.733 0.467 CB 1.246 16 residues pruned to eliminate duplicates Z: 14 9.605 1.562 0.604 0.476 0.846 0.769 CB 1.287 10 residues pruned to eliminate duplicates Z: 8 2.652 1.433 0.447 0.412 0.714 0.571 CB 0.742 Z: 16 10.575 1.812 0.372 0.419 0.867 0.533 CA 1.380 16 residues pruned to eliminate duplicates Z: 16 16.299 1.888 0.814 0.939 1.000 0.933 CB 0.854 16 residues pruned to eliminate duplicates Z: 36 18.419 1.913 0.536 0.515 0.829 0.629 CB 1.260 36 residues pruned to eliminate duplicates 7 0.903 1.387 0.270 0.347 0.833 0.500 CB 0.297 ? Z: 6 6.240 1.658 0.157 0.858 1.000 1.000 CA 1.071 6 residues pruned to eliminate duplicates Z: 22 17.608 1.650 0.649 0.696 0.905 0.619 CB 1.306 22 residues pruned to eliminate duplicates Z: 11 4.966 1.511 0.359 0.453 0.900 0.700 CB 0.892 Z: 7 8.225 1.550 0.651 0.628 1.000 0.833 CB 1.164 Z: 12 15.275 1.811 0.853 0.904 1.000 0.727 CA 0.977 12 residues pruned to eliminate duplicates Z: 25 21.845 2.175 0.655 0.555 0.875 0.583 CB 1.342 25 residues pruned to eliminate duplicates Z: 17 22.729 2.004 0.637 0.938 1.000 1.000 CB 1.204 17 residues pruned to eliminate duplicates Z: 6 5.075 1.572 0.173 0.676 1.000 1.000 CA 1.047 6 residues pruned to eliminate duplicates Z: 33 16.465 1.590 0.753 0.611 0.938 0.625 CB 1.002 33 residues pruned to eliminate duplicates Z: 11 8.565 1.775 0.811 0.536 0.800 0.500 N 1.017 Z: 38 19.335 1.937 0.496 0.390 0.865 0.514 CB 1.425 38 residues pruned to eliminate duplicates Z: 8 13.266 1.904 0.528 0.793 1.000 1.000 CA 1.333 8 residues pruned to eliminate duplicates 6 1.602 1.155 0.095 0.531 0.600 0.400 CB 0.915 ? Z: 29 13.563 1.644 0.668 0.702 0.964 0.536 CB 0.807 29 residues pruned to eliminate duplicates Z: 9 5.442 1.353 0.640 0.381 0.875 0.625 C 1.125 Z: 15 20.370 2.101 0.636 0.476 1.000 0.714 CA 1.623 15 residues pruned to eliminate duplicates Z: 11 6.854 1.616 0.552 0.911 1.000 0.900 CB 0.612 11 residues pruned to eliminate duplicates Z: 14 11.584 1.815 0.467 0.479 1.000 0.538 CA 1.232 14 residues pruned to eliminate duplicates Z: 29 14.083 1.732 0.655 0.322 0.893 0.536 CB 1.266 29 residues pruned to eliminate duplicates Z: 10 2.491 1.528 -0.118 0.412 0.889 0.667 CB 0.760 11 residues pruned to eliminate duplicates Z: 6 2.644 1.432 0.002 0.578 1.000 0.600 CB 0.765 Z: 7 8.151 1.705 0.595 0.820 1.000 0.667 CA 0.927 7 residues pruned to eliminate duplicates Z: 17 19.944 1.852 0.539 0.842 1.000 0.812 CA 1.304 17 residues pruned to eliminate duplicates Z: 84 40.601 2.048 0.760 0.593 0.867 0.506 CB 1.304 84 residues pruned to eliminate duplicates Z: 13 9.478 1.832 0.297 0.950 1.000 1.000 CB 0.794 13 residues pruned to eliminate duplicates Z: 10 5.224 1.501 0.474 0.351 0.778 0.667 N 1.189 10 residues pruned to eliminate duplicates Z: 11 5.880 1.610 -0.124 0.915 1.000 1.000 CB 0.932 11 residues pruned to eliminate duplicates Z: 8 4.603 1.625 -0.194 0.766 1.000 0.857 CB 1.050 9 residues pruned to eliminate duplicates Z: 16 9.874 1.938 0.184 0.361 0.933 0.400 CB 1.383 16 residues pruned to eliminate duplicates Z: 8 4.560 1.400 0.599 0.295 0.857 0.286 CB 1.130 8 residues pruned to eliminate duplicates Z: 17 5.018 1.751 0.287 0.279 0.688 0.312 CB 1.039 17 residues pruned to eliminate duplicates Z: 16 8.096 1.520 0.737 0.463 0.867 0.733 CB 0.949 11 residues pruned to eliminate duplicates Z: 27 11.778 1.661 0.562 0.415 0.923 0.500 CB 1.054 35 residues pruned to eliminate duplicates Z: 88 45.438 1.999 0.739 0.602 0.885 0.621 CB 1.437 126 residues pruned to eliminate duplicates Z: 18 19.412 1.928 0.505 0.908 1.000 0.941 CA 1.152 18 residues pruned to eliminate duplicates Z: 9 2.490 1.371 0.470 0.233 0.750 0.375 N 0.794 Z: 10 2.794 1.455 0.391 0.362 0.778 0.444 CA 0.686 10 residues pruned to eliminate duplicates Z: 9 9.260 1.626 0.412 0.607 1.000 0.625 CA 1.287 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 5.295 1.459 0.524 0.308 1.000 0.556 CB 0.983 10 residues pruned to eliminate duplicates Z: 7 8.315 1.722 0.644 0.402 1.000 0.667 CB 1.329 8 residues pruned to eliminate duplicates Z: 8 5.404 1.359 0.971 0.409 0.857 0.429 N 0.979 Z: 6 2.845 1.229 0.779 0.267 0.800 0.600 N 0.948 Z: 6 2.708 1.385 1.069 0.446 1.000 0.600 CA 0.447 Z: 6 7.019 1.439 1.170 0.439 1.000 0.600 CA 1.070 Z: 7 7.976 1.838 0.436 0.528 1.000 0.833 CA 1.200 6 residues pruned to eliminate duplicates Z: 13 19.488 1.864 0.870 0.794 1.000 0.583 CA 1.247 13 residues pruned to eliminate duplicates Z: 13 16.523 1.943 0.657 0.764 1.000 0.750 CA 1.172 12 residues pruned to eliminate duplicates Z: 10 18.844 2.002 0.715 0.893 1.000 0.667 CA 1.313 10 residues pruned to eliminate duplicates Z: 38 30.674 2.037 0.497 0.713 0.973 0.757 CA 1.402 40 residues pruned to eliminate duplicates Z: 13 18.377 1.802 1.042 0.869 1.000 0.667 CA 1.053 13 residues pruned to eliminate duplicates Z: 15 16.884 1.778 0.852 0.665 1.000 0.857 CA 1.176 15 residues pruned to eliminate duplicates Z: 39 28.593 2.003 0.532 0.694 0.947 0.763 CA 1.336 39 residues pruned to eliminate duplicates Z: 37 37.602 2.040 0.774 0.774 0.972 0.861 CA 1.398 37 residues pruned to eliminate duplicates Z: 12 20.868 1.914 1.087 0.881 1.000 0.818 CA 1.141 12 residues pruned to eliminate duplicates Z: 13 21.324 1.944 0.986 0.780 1.000 0.667 CA 1.246 13 residues pruned to eliminate duplicates Z: 39 19.342 1.994 0.571 0.416 0.842 0.526 CB 1.299 38 residues pruned to eliminate duplicates Z: 8 2.842 1.482 0.327 0.328 0.857 0.571 CB 0.769 7 residues pruned to eliminate duplicates Z: 6 5.386 1.588 0.754 0.452 0.800 0.600 CA 1.135 6 1.027 1.299 0.299 0.310 0.600 0.000 CB 0.560 ? Z: 7 4.560 1.663 0.417 0.233 0.833 0.167 N 1.293 7 residues pruned to eliminate duplicates Z: 34 19.809 2.078 0.404 0.462 0.879 0.515 CB 1.398 34 residues pruned to eliminate duplicates Z: 38 16.782 1.980 0.345 0.358 0.865 0.459 CB 1.397 38 residues pruned to eliminate duplicates Z: 40 16.639 1.985 0.324 0.365 0.872 0.462 CB 1.345 46 residues pruned to eliminate duplicates Z: 26 15.131 1.982 0.388 0.448 0.920 0.600 CB 1.261 26 residues pruned to eliminate duplicates Z: 23 18.074 2.066 0.674 0.494 0.864 0.591 CB 1.298 23 residues pruned to eliminate duplicates Z: 38 21.121 2.047 0.499 0.437 0.892 0.568 CB 1.354 38 residues pruned to eliminate duplicates Z: 38 21.145 2.043 0.413 0.426 0.892 0.432 CB 1.458 38 residues pruned to eliminate duplicates Z: 49 23.419 2.008 0.554 0.433 0.875 0.625 CB 1.326 49 residues pruned to eliminate duplicates Z: 37 21.724 2.024 0.417 0.442 0.917 0.556 CB 1.462 37 residues pruned to eliminate duplicates Z: 40 18.358 1.988 0.461 0.431 0.872 0.564 CB 1.247 40 residues pruned to eliminate duplicates Z: 30 11.275 1.755 0.584 0.300 0.828 0.414 CA 1.138 30 residues pruned to eliminate duplicates Z: 36 16.027 1.810 0.567 0.386 0.857 0.371 CB 1.258 37 residues pruned to eliminate duplicates Z: 9 6.283 1.882 0.289 0.398 0.750 0.500 CA 1.360 9 residues pruned to eliminate duplicates Z: 41 17.869 1.946 0.391 0.414 0.900 0.525 CB 1.268 41 residues pruned to eliminate duplicates Z: 29 12.118 1.823 0.470 0.314 0.821 0.393 CA 1.278 29 residues pruned to eliminate duplicates Z: 23 12.500 1.839 0.525 0.359 0.909 0.364 CA 1.217 23 residues pruned to eliminate duplicates Z: 37 21.707 2.029 0.433 0.426 0.944 0.500 CB 1.424 37 residues pruned to eliminate duplicates Z: 18 12.342 1.938 0.410 0.368 0.882 0.471 CA 1.430 18 residues pruned to eliminate duplicates Z: 17 8.239 1.849 0.388 0.318 0.875 0.500 CA 1.122 17 residues pruned to eliminate duplicates Z: 26 11.980 1.821 0.278 0.414 0.920 0.480 CA 1.224 26 residues pruned to eliminate duplicates Z: 38 16.826 2.037 0.295 0.387 0.892 0.459 CB 1.325 40 residues pruned to eliminate duplicates Z: 11 3.892 1.390 0.398 0.484 0.700 0.300 CA 0.920 11 residues pruned to eliminate duplicates Z: 32 14.177 1.802 0.498 0.279 0.935 0.484 CA 1.294 32 residues pruned to eliminate duplicates Z: 24 12.170 1.812 0.439 0.437 0.913 0.478 CA 1.138 24 residues pruned to eliminate duplicates Z: 56 17.046 1.870 0.294 0.415 0.836 0.455 CB 1.241 56 residues pruned to eliminate duplicates Z: 23 9.308 1.820 0.319 0.324 0.818 0.409 CA 1.226 23 residues pruned to eliminate duplicates Z: 30 11.021 1.817 0.510 0.315 0.759 0.552 CB 1.206 30 residues pruned to eliminate duplicates Z: 28 10.045 1.727 0.361 0.297 0.926 0.519 CB 1.115 28 residues pruned to eliminate duplicates Z: 9 6.124 1.766 0.552 0.210 0.875 0.625 CB 1.273 9 residues pruned to eliminate duplicates Z: 29 11.258 1.804 0.434 0.301 0.857 0.536 CB 1.198 29 residues pruned to eliminate duplicates Z: 18 7.291 1.598 0.447 0.436 0.824 0.529 CB 0.993 18 residues pruned to eliminate duplicates Z: 48 19.158 1.900 0.518 0.406 0.894 0.574 CB 1.197 48 residues pruned to eliminate duplicates Z: 8 6.816 1.827 0.702 0.615 0.714 0.429 CB 1.039 8 residues pruned to eliminate duplicates Z: 8 6.584 1.775 0.663 0.509 0.714 0.286 CB 1.170 8 residues pruned to eliminate duplicates Z: 10 10.544 1.715 1.156 0.490 0.889 0.444 CB 1.080 10 residues pruned to eliminate duplicates Z: 16 15.330 1.801 1.222 0.871 0.933 0.400 CB 0.773 16 residues pruned to eliminate duplicates Z: 7 12.804 1.893 1.216 0.742 0.833 0.333 CB 1.203 7 residues pruned to eliminate duplicates Z: 7 12.050 1.827 0.763 0.789 1.000 0.500 CB 1.185 7 residues pruned to eliminate duplicates Z: 6 10.115 2.018 0.861 0.793 0.800 0.600 CB 1.164 6 residues pruned to eliminate duplicates Z: 9 8.921 1.841 0.636 0.649 0.875 0.625 CB 1.042 8 residues pruned to eliminate duplicates Z: 16 17.280 1.882 1.089 0.884 0.933 0.467 CB 0.879 16 residues pruned to eliminate duplicates Z: 42 32.338 1.984 0.640 0.746 0.927 0.561 CB 1.344 42 residues pruned to eliminate duplicates Z: 20 23.143 2.010 0.388 0.861 1.000 0.842 CA 1.399 20 residues pruned to eliminate duplicates Z: 30 18.407 1.931 0.226 0.611 0.897 0.828 CA 1.449 30 residues pruned to eliminate duplicates Z: 24 20.466 2.017 0.404 0.736 0.870 0.783 CA 1.401 24 residues pruned to eliminate duplicates Z: 23 24.486 2.070 0.427 0.747 0.955 0.909 CA 1.485 23 residues pruned to eliminate duplicates Z: 28 19.363 1.885 0.403 0.648 0.889 0.704 CA 1.380 42 residues pruned to eliminate duplicates Z: 39 27.151 1.957 0.544 0.698 0.921 0.711 CA 1.321 39 residues pruned to eliminate duplicates Z: 26 19.735 2.043 0.361 0.647 0.880 0.720 CA 1.407 26 residues pruned to eliminate duplicates Z: 26 20.965 2.064 0.325 0.665 0.880 0.680 CA 1.496 26 residues pruned to eliminate duplicates Z: 29 20.121 2.034 0.243 0.652 0.893 0.750 CA 1.463 29 residues pruned to eliminate duplicates Z: 37 21.755 1.950 0.345 0.563 0.917 0.528 CA 1.418 37 residues pruned to eliminate duplicates Z: 40 29.797 2.001 0.533 0.723 0.923 0.667 CA 1.378 40 residues pruned to eliminate duplicates Z: 34 22.248 1.993 0.327 0.598 0.879 0.636 CB 1.517 64 residues pruned to eliminate duplicates Z: 20 27.738 2.027 0.609 0.908 1.000 0.789 CA 1.386 20 residues pruned to eliminate duplicates Z: 40 27.249 1.996 0.428 0.697 0.923 0.718 CA 1.385 40 residues pruned to eliminate duplicates Z: 34 21.356 1.883 0.497 0.536 0.879 0.606 CB 1.447 34 residues pruned to eliminate duplicates Z: 27 25.378 2.065 0.492 0.667 0.885 0.577 CA 1.565 27 residues pruned to eliminate duplicates Z: 35 26.315 1.974 0.510 0.617 0.941 0.618 CB 1.440 35 residues pruned to eliminate duplicates Z: 46 25.396 1.900 0.547 0.528 0.933 0.467 CB 1.342 46 residues pruned to eliminate duplicates Z: 29 26.030 1.997 0.522 0.665 0.929 0.607 CB 1.496 29 residues pruned to eliminate duplicates Z: 39 32.125 2.018 0.644 0.709 0.947 0.737 CA 1.372 39 residues pruned to eliminate duplicates Z: 28 22.922 2.007 0.478 0.632 0.889 0.630 CA 1.478 28 residues pruned to eliminate duplicates Z: 26 25.084 2.103 0.403 0.698 0.920 0.760 CA 1.542 26 residues pruned to eliminate duplicates Z: 48 33.356 2.003 0.745 0.662 0.915 0.532 CB 1.309 58 residues pruned to eliminate duplicates Z: 7 12.117 1.899 1.109 0.557 0.833 0.167 CA 1.403 7 residues pruned to eliminate duplicates Z: 9 8.160 1.751 0.930 0.426 0.750 0.500 CB 1.230 9 residues pruned to eliminate duplicates Z: 12 7.895 1.542 0.434 0.483 0.909 0.545 CA 1.204 12 residues pruned to eliminate duplicates Z: 19 23.360 2.107 0.582 0.539 0.944 0.556 CB 1.684 19 residues pruned to eliminate duplicates Z: 17 16.485 1.901 0.980 0.369 0.875 0.375 CA 1.441 17 residues pruned to eliminate duplicates Z: 37 34.218 2.105 0.757 0.587 0.917 0.694 CB 1.548 37 residues pruned to eliminate duplicates Z: 45 39.909 2.136 0.698 0.606 0.977 0.568 CB 1.535 45 residues pruned to eliminate duplicates Z: 25 23.346 2.099 0.583 0.486 0.958 0.625 CB 1.518 25 residues pruned to eliminate duplicates Z: 57 32.902 2.073 0.551 0.557 0.893 0.661 CA 1.449 57 residues pruned to eliminate duplicates Z: 49 35.144 2.057 0.661 0.557 0.958 0.604 CB 1.466 49 residues pruned to eliminate duplicates Z: 56 36.081 2.083 0.701 0.565 0.891 0.655 CB 1.448 62 residues pruned to eliminate duplicates Z: 39 39.484 2.215 0.781 0.582 0.921 0.526 CA 1.629 39 residues pruned to eliminate duplicates Z: 25 20.819 2.091 0.639 0.399 0.917 0.542 CA 1.504 25 residues pruned to eliminate duplicates Z: 61 34.485 2.094 0.576 0.513 0.900 0.583 CB 1.480 61 residues pruned to eliminate duplicates Z: 43 30.855 2.120 0.481 0.505 0.929 0.571 CB 1.626 43 residues pruned to eliminate duplicates Z: 56 36.598 2.116 0.547 0.581 0.927 0.582 CA 1.504 56 residues pruned to eliminate duplicates Z: 65 43.727 2.165 0.633 0.583 0.922 0.609 CA 1.548 65 residues pruned to eliminate duplicates Z: 26 20.211 1.999 0.639 0.579 0.760 0.640 CB 1.504 26 residues pruned to eliminate duplicates Z: 65 40.659 2.143 0.661 0.572 0.906 0.609 CA 1.471 63 residues pruned to eliminate duplicates Z: 14 23.463 2.198 0.402 0.931 1.000 0.923 CA 1.476 14 residues pruned to eliminate duplicates Z: 69 45.034 2.132 0.733 0.579 0.897 0.647 CA 1.527 65 residues pruned to eliminate duplicates Z: 13 32.317 2.291 1.014 0.941 1.000 0.750 CA 1.404 13 residues pruned to eliminate duplicates Z: 59 37.209 2.127 0.615 0.535 0.897 0.534 CB 1.533 59 residues pruned to eliminate duplicates Z: 55 38.207 2.154 0.611 0.577 0.907 0.556 CB 1.532 55 residues pruned to eliminate duplicates Z: 66 44.290 2.156 0.626 0.578 0.954 0.569 CB 1.524 66 residues pruned to eliminate duplicates Z: 57 37.414 2.139 0.644 0.588 0.875 0.571 CA 1.494 57 residues pruned to eliminate duplicates Z: 72 44.458 2.058 0.822 0.569 0.901 0.577 CB 1.459 85 residues pruned to eliminate duplicates Z: 14 36.316 2.349 1.192 0.787 0.923 0.692 CA 1.645 14 residues pruned to eliminate duplicates Z: 39 39.357 2.178 0.761 0.644 0.947 0.526 CA 1.537 39 residues pruned to eliminate duplicates Z: 32 21.604 2.019 0.612 0.538 0.871 0.581 CB 1.319 29 residues pruned to eliminate duplicates Z: 6 3.246 1.503 0.158 0.245 1.000 0.600 CA 1.119 6 residues pruned to eliminate duplicates Z: 36 23.898 1.953 0.508 0.583 0.914 0.743 CA 1.385 35 residues pruned to eliminate duplicates Z: 7 5.598 1.494 0.648 0.427 0.833 0.333 CA 1.201 7 residues pruned to eliminate duplicates Z: 34 24.803 2.090 0.631 0.636 0.818 0.545 CB 1.363 34 residues pruned to eliminate duplicates Z: 26 27.975 2.133 0.614 0.676 0.920 0.600 CA 1.502 26 residues pruned to eliminate duplicates Z: 31 17.647 1.886 0.532 0.549 0.867 0.533 CB 1.227 31 residues pruned to eliminate duplicates Z: 26 26.482 2.119 0.732 0.630 0.840 0.560 CB 1.521 26 residues pruned to eliminate duplicates Z: 29 27.111 2.053 0.904 0.602 0.857 0.643 CB 1.387 29 residues pruned to eliminate duplicates Z: 37 34.673 2.140 0.864 0.664 0.861 0.361 CB 1.445 37 residues pruned to eliminate duplicates Z: 28 28.631 2.128 0.860 0.625 0.852 0.444 CB 1.453 28 residues pruned to eliminate duplicates Z: 22 19.394 1.989 0.759 0.553 0.857 0.190 CB 1.340 22 residues pruned to eliminate duplicates Z: 36 38.036 2.177 0.916 0.678 0.886 0.400 CB 1.477 36 residues pruned to eliminate duplicates Z: 33 19.913 1.911 0.636 0.504 0.906 0.406 CB 1.237 33 residues pruned to eliminate duplicates Z: 17 23.308 2.157 0.961 0.714 0.875 0.312 CB 1.297 17 residues pruned to eliminate duplicates Z: 29 29.705 2.056 0.881 0.619 0.964 0.464 CB 1.346 45 residues pruned to eliminate duplicates Z: 15 34.299 2.137 1.243 0.939 0.929 0.357 CB 1.431 16 residues pruned to eliminate duplicates Z: 13 36.813 2.254 1.239 0.921 1.000 0.333 CB 1.481 13 residues pruned to eliminate duplicates Z: 50 38.037 2.104 0.776 0.620 0.918 0.306 CB 1.415 50 residues pruned to eliminate duplicates Z: 50 34.219 2.036 0.905 0.640 0.837 0.388 CB 1.321 57 residues pruned to eliminate duplicates Z: 18 9.228 1.719 0.650 0.419 0.882 0.471 CB 0.973 18 residues pruned to eliminate duplicates Z: 19 9.643 1.741 0.527 0.466 0.889 0.333 CB 0.996 19 residues pruned to eliminate duplicates Z: 23 12.198 1.742 0.342 0.548 0.909 0.591 CB 1.166 22 residues pruned to eliminate duplicates Z: 6 3.765 1.783 -0.310 0.810 1.000 0.400 CB 1.044 6 residues pruned to eliminate duplicates Z: 16 9.826 1.726 0.470 0.442 0.933 0.400 CB 1.137 16 residues pruned to eliminate duplicates Z: 22 12.922 1.648 0.234 0.761 0.952 0.619 CB 1.154 22 residues pruned to eliminate duplicates Z: 29 12.293 1.627 0.307 0.642 0.929 0.607 CB 1.030 36 residues pruned to eliminate duplicates Z: 21 8.419 1.623 0.526 0.433 0.850 0.500 CB 0.959 21 residues pruned to eliminate duplicates Z: 28 18.070 1.711 0.598 0.659 0.926 0.704 CB 1.185 28 residues pruned to eliminate duplicates Z: 16 17.156 1.763 0.470 0.849 0.933 0.867 CB 1.357 16 residues pruned to eliminate duplicates Z: 23 16.079 1.691 0.557 0.704 0.909 0.773 CB 1.189 17 residues pruned to eliminate duplicates Z: 15 15.275 1.760 0.275 0.863 1.000 1.000 CA 1.335 15 residues pruned to eliminate duplicates Z: 33 19.765 1.757 0.633 0.635 0.969 0.719 CB 1.108 33 residues pruned to eliminate duplicates Z: 30 15.796 1.702 0.519 0.611 0.931 0.621 CB 1.097 30 residues pruned to eliminate duplicates Z: 18 17.437 1.722 0.603 0.760 1.000 0.706 CB 1.215 18 residues pruned to eliminate duplicates Z: 17 16.370 1.680 0.661 0.855 0.875 0.562 CB 1.236 17 residues pruned to eliminate duplicates Z: 23 17.280 1.706 0.643 0.693 0.909 0.682 CB 1.212 23 residues pruned to eliminate duplicates Z: 17 18.373 1.709 0.576 0.889 1.000 0.875 CB 1.227 23 residues pruned to eliminate duplicates Z: 17 19.524 1.719 0.657 0.877 1.000 0.938 CB 1.245 17 residues pruned to eliminate duplicates Z: 16 17.881 1.762 0.530 0.876 1.000 0.733 CB 1.245 16 residues pruned to eliminate duplicates Z: 25 19.101 1.714 0.688 0.733 1.000 0.750 CB 1.093 17 residues pruned to eliminate duplicates Z: 17 18.661 1.704 0.648 0.859 0.938 0.562 CB 1.304 17 residues pruned to eliminate duplicates Z: 6 6.462 1.648 0.650 0.728 1.000 0.600 CB 0.865 6 residues pruned to eliminate duplicates Z: 64 21.988 1.742 0.601 0.486 0.889 0.524 CB 1.133 64 residues pruned to eliminate duplicates Z: 24 15.466 1.674 0.626 0.633 0.870 0.478 CB 1.203 24 residues pruned to eliminate duplicates Z: 15 6.462 1.549 0.428 0.481 0.786 0.429 CB 1.013 15 residues pruned to eliminate duplicates Z: 28 14.900 1.618 0.634 0.638 0.926 0.593 CB 1.030 28 residues pruned to eliminate duplicates Z: 9 3.429 1.386 0.497 0.389 0.750 0.500 CB 0.877 9 residues pruned to eliminate duplicates Z: 6 5.820 1.724 0.644 0.573 0.800 0.800 CB 1.070 6 residues pruned to eliminate duplicates Z: 29 12.625 1.638 0.490 0.585 0.857 0.393 CB 1.051 29 residues pruned to eliminate duplicates Z: 27 17.015 1.668 0.656 0.663 1.000 0.654 CB 1.039 28 residues pruned to eliminate duplicates Z: 15 13.595 1.667 0.716 0.933 1.000 0.786 CB 0.886 15 residues pruned to eliminate duplicates Z: 10 6.590 1.668 0.721 0.597 1.000 0.667 CB 0.698 10 residues pruned to eliminate duplicates Z: 10 9.400 1.748 0.721 0.858 1.000 0.444 CB 0.767 10 residues pruned to eliminate duplicates Z: 14 11.322 1.683 0.885 0.860 1.000 0.538 CB 0.728 14 residues pruned to eliminate duplicates Z: 14 11.818 1.709 0.832 0.827 1.000 0.538 CB 0.789 14 residues pruned to eliminate duplicates Z: 25 15.149 1.664 0.796 0.667 0.875 0.417 CB 1.014 25 residues pruned to eliminate duplicates Z: 27 16.250 1.693 0.827 0.696 0.923 0.500 CB 0.933 27 residues pruned to eliminate duplicates Z: 11 8.314 1.691 0.771 0.880 0.800 0.400 CB 0.795 11 residues pruned to eliminate duplicates Z: 14 10.229 1.707 0.750 0.836 1.000 0.308 CB 0.711 14 residues pruned to eliminate duplicates Z: 16 12.331 1.640 0.952 0.865 0.933 0.533 CB 0.781 16 residues pruned to eliminate duplicates Z: 16 12.093 1.612 0.827 0.866 0.933 0.667 CB 0.832 16 residues pruned to eliminate duplicates Z: 30 15.434 1.616 0.779 0.608 0.931 0.483 CB 0.966 30 residues pruned to eliminate duplicates Z: 25 14.271 1.642 0.715 0.594 1.000 0.333 CB 0.945 25 residues pruned to eliminate duplicates Z: 16 11.977 1.600 0.800 0.784 1.000 0.400 CB 0.837 16 residues pruned to eliminate duplicates Z: 14 6.877 1.587 0.328 0.428 0.923 0.462 CA 1.056 14 residues pruned to eliminate duplicates Z: 38 17.770 1.818 0.449 0.457 0.892 0.649 CB 1.299 38 residues pruned to eliminate duplicates Z: 28 16.077 1.669 0.755 0.693 0.963 0.593 CB 0.919 28 residues pruned to eliminate duplicates Z: 10 13.825 1.768 0.548 0.899 1.000 0.556 CB 1.204 10 residues pruned to eliminate duplicates Z: 11 12.877 1.747 0.677 0.688 1.000 0.700 CB 1.170 11 residues pruned to eliminate duplicates Z: 12 9.823 1.811 0.361 0.695 0.818 0.727 CB 1.229 12 residues pruned to eliminate duplicates Z: 11 11.797 1.787 0.639 0.752 0.900 0.900 CB 1.131 11 residues pruned to eliminate duplicates Z: 9 12.915 1.772 0.609 0.892 1.000 0.625 CB 1.151 9 residues pruned to eliminate duplicates Z: 51 30.070 1.856 0.767 0.583 0.940 0.540 CB 1.274 51 residues pruned to eliminate duplicates Z: 13 10.104 1.760 0.544 0.633 0.833 0.583 CB 1.136 13 residues pruned to eliminate duplicates Z: 9 13.483 1.792 0.581 0.902 1.000 0.750 CB 1.201 9 residues pruned to eliminate duplicates Z: 14 6.257 1.616 0.247 0.579 0.923 0.615 CB 0.865 12 residues pruned to eliminate duplicates Z: 7 2.636 1.194 0.710 0.386 0.833 0.333 C 0.713 6 residues pruned to eliminate duplicates Z: 6 2.727 1.646 0.422 0.382 0.800 0.200 CA 0.739 6 residues pruned to eliminate duplicates Z: 9 6.535 1.603 0.647 0.285 0.875 0.250 CA 1.274 6 residues pruned to eliminate duplicates Z: 6 4.980 1.635 1.307 0.216 0.800 0.400 C 1.030 6 residues pruned to eliminate duplicates Z: 17 27.328 2.191 0.840 0.707 0.938 0.812 CA 1.498 17 residues pruned to eliminate duplicates Z: 36 34.589 2.114 0.869 0.684 0.886 0.486 CB 1.411 36 residues pruned to eliminate duplicates Z: 18 23.016 2.122 0.762 0.695 0.882 0.647 CA 1.416 18 residues pruned to eliminate duplicates Z: 19 26.529 2.109 0.888 0.652 0.944 0.833 CA 1.443 19 residues pruned to eliminate duplicates Z: 21 22.768 2.062 0.601 0.651 0.900 0.700 CA 1.490 21 residues pruned to eliminate duplicates Z: 19 22.566 2.145 0.619 0.667 0.889 0.778 CA 1.477 19 residues pruned to eliminate duplicates Z: 19 23.089 2.132 0.669 0.676 0.889 0.667 CA 1.463 19 residues pruned to eliminate duplicates Z: 20 25.628 2.094 0.771 0.655 0.947 0.684 CA 1.449 20 residues pruned to eliminate duplicates Z: 22 18.415 2.040 0.558 0.460 0.905 0.619 CA 1.456 22 residues pruned to eliminate duplicates Z: 18 25.743 2.144 0.637 0.678 1.000 0.824 CA 1.510 18 residues pruned to eliminate duplicates Z: 12 18.393 2.214 0.627 0.666 0.909 0.818 CA 1.453 12 residues pruned to eliminate duplicates Z: 13 15.994 2.114 0.616 0.602 0.917 0.833 CB 1.338 13 residues pruned to eliminate duplicates Z: 20 22.198 2.130 0.621 0.544 0.895 0.632 CA 1.579 20 residues pruned to eliminate duplicates Z: 28 21.228 2.089 0.597 0.453 0.852 0.704 CA 1.508 28 residues pruned to eliminate duplicates Z: 20 18.024 2.135 0.562 0.486 0.895 0.632 CA 1.406 20 residues pruned to eliminate duplicates Z: 36 25.203 2.022 0.776 0.463 0.857 0.543 CA 1.438 36 residues pruned to eliminate duplicates Z: 95 48.025 2.128 0.728 0.588 0.894 0.617 CB 1.385 95 residues pruned to eliminate duplicates Z: 31 35.183 2.194 0.929 0.550 0.967 0.667 CA 1.496 31 residues pruned to eliminate duplicates Z: 69 46.688 2.169 0.752 0.604 0.941 0.662 CB 1.434 69 residues pruned to eliminate duplicates Z: 52 43.681 2.197 0.815 0.602 0.961 0.667 CA 1.449 52 residues pruned to eliminate duplicates Z: 44 36.834 2.198 0.737 0.568 0.953 0.605 CA 1.445 44 residues pruned to eliminate duplicates Z: 17 17.299 2.021 0.975 0.418 0.875 0.625 CA 1.349 17 residues pruned to eliminate duplicates Z: 53 39.825 2.245 0.688 0.583 0.942 0.692 CB 1.429 53 residues pruned to eliminate duplicates Z: 19 17.552 2.048 0.767 0.416 0.833 0.500 CB 1.499 19 residues pruned to eliminate duplicates Z: 34 26.322 2.057 0.671 0.507 0.939 0.606 CA 1.409 34 residues pruned to eliminate duplicates Z: 32 16.511 1.881 0.637 0.393 0.903 0.613 CA 1.194 32 residues pruned to eliminate duplicates Z: 32 24.625 2.105 0.636 0.438 0.935 0.677 CB 1.464 32 residues pruned to eliminate duplicates Z: 36 29.935 2.062 0.789 0.528 0.914 0.600 CA 1.460 36 residues pruned to eliminate duplicates Z: 30 23.478 2.035 0.788 0.408 0.897 0.483 CB 1.472 30 residues pruned to eliminate duplicates Z: 63 42.569 2.213 0.694 0.571 0.903 0.629 CB 1.491 63 residues pruned to eliminate duplicates Z: 61 40.513 2.185 0.708 0.562 0.917 0.567 CB 1.440 61 residues pruned to eliminate duplicates Z: 74 48.598 2.155 0.775 0.581 0.932 0.548 CA 1.476 74 residues pruned to eliminate duplicates Z: 44 36.760 2.177 0.829 0.633 0.930 0.581 CB 1.336 44 residues pruned to eliminate duplicates Z: 25 22.711 2.126 0.637 0.628 0.875 0.375 CB 1.350 25 residues pruned to eliminate duplicates Z: 27 23.241 2.159 0.533 0.588 0.923 0.615 CA 1.371 27 residues pruned to eliminate duplicates Z: 66 42.921 2.182 0.726 0.539 0.892 0.508 CB 1.525 66 residues pruned to eliminate duplicates Z: 42 41.481 2.168 1.001 0.615 0.951 0.585 CB 1.408 42 residues pruned to eliminate duplicates Z: 14 28.240 2.272 1.037 0.770 0.923 0.308 CA 1.443 14 residues pruned to eliminate duplicates Z: 35 34.516 2.287 0.646 0.640 0.912 0.706 CA 1.512 35 residues pruned to eliminate duplicates Z: 43 34.664 2.143 0.930 0.559 0.857 0.500 CA 1.425 43 residues pruned to eliminate duplicates Z: 14 25.887 2.215 1.155 0.785 0.923 0.385 CA 1.269 14 residues pruned to eliminate duplicates Z: 83 48.306 2.166 0.767 0.606 0.890 0.622 CB 1.416 83 residues pruned to eliminate duplicates Z: 74 39.926 2.107 0.693 0.577 0.904 0.493 CB 1.345 74 residues pruned to eliminate duplicates Z: 17 27.804 2.273 0.852 0.709 0.938 0.438 CA 1.458 17 residues pruned to eliminate duplicates Z: 104 45.286 2.108 0.776 0.536 0.864 0.505 CB 1.332 104 residues pruned to eliminate duplicates Z: 27 22.275 2.141 0.506 0.548 0.923 0.615 CB 1.400 27 residues pruned to eliminate duplicates Z: 16 9.226 1.865 0.514 0.382 0.733 0.467 CB 1.304 16 residues pruned to eliminate duplicates Z: 37 37.418 2.270 0.789 0.703 0.861 0.583 CB 1.482 37 residues pruned to eliminate duplicates Z: 69 44.714 2.167 0.811 0.578 0.897 0.559 CB 1.428 69 residues pruned to eliminate duplicates Z: 37 38.616 2.267 0.847 0.683 0.917 0.500 CB 1.418 37 residues pruned to eliminate duplicates Z: 53 47.952 2.234 0.986 0.582 0.942 0.423 CB 1.470 53 residues pruned to eliminate duplicates Z: 36 41.600 2.318 0.881 0.672 0.943 0.571 CB 1.460 36 residues pruned to eliminate duplicates Z: 55 42.635 2.229 0.837 0.609 0.907 0.667 CB 1.409 55 residues pruned to eliminate duplicates Z: 53 43.219 2.252 0.808 0.613 0.904 0.577 CB 1.463 53 residues pruned to eliminate duplicates Z: 36 39.373 2.300 0.816 0.656 0.943 0.600 CB 1.462 36 residues pruned to eliminate duplicates Z: 26 20.167 2.157 0.535 0.462 0.880 0.520 CB 1.439 26 residues pruned to eliminate duplicates Z: 73 41.291 2.126 0.713 0.578 0.889 0.556 CB 1.395 73 residues pruned to eliminate duplicates Z: 48 40.192 2.198 0.885 0.667 0.872 0.553 CB 1.390 48 residues pruned to eliminate duplicates Z: 28 24.954 2.193 0.713 0.562 0.889 0.593 CB 1.354 28 residues pruned to eliminate duplicates Z: 76 44.247 2.195 0.732 0.573 0.880 0.507 CB 1.424 76 residues pruned to eliminate duplicates Z: 40 27.690 2.090 0.736 0.540 0.897 0.462 CB 1.310 40 residues pruned to eliminate duplicates Z: 27 20.189 2.167 0.756 0.511 0.769 0.423 CB 1.338 27 residues pruned to eliminate duplicates Z: 27 25.364 2.219 0.866 0.557 0.846 0.500 CB 1.344 27 residues pruned to eliminate duplicates Z: 66 43.349 2.205 0.825 0.582 0.892 0.538 CB 1.384 66 residues pruned to eliminate duplicates Z: 31 23.708 2.138 0.717 0.552 0.867 0.533 CB 1.293 Z: 14 38.533 2.269 1.282 0.930 1.000 0.769 CA 1.444 14 residues pruned to eliminate duplicates Z: 27 22.524 2.081 0.710 0.479 0.923 0.500 CB 1.373 27 residues pruned to eliminate duplicates Z: 29 29.339 2.215 0.788 0.606 0.893 0.536 CB 1.418 60 residues pruned to eliminate duplicates Z: 27 20.207 2.045 0.733 0.584 0.885 0.538 CB 1.166 Z: 17 26.685 2.280 1.107 0.792 0.875 0.500 CB 1.229 27 residues pruned to eliminate duplicates Z: 8 5.014 1.875 0.530 0.339 0.857 0.429 CB 0.918 3 residues pruned to eliminate duplicates Z: 7 5.286 1.755 0.835 0.314 1.000 0.500 CA 0.824 7 residues pruned to eliminate duplicates Z: 6 6.926 1.659 1.287 0.266 0.800 0.600 CA 1.332 6 residues pruned to eliminate duplicates Z: 38 17.718 2.065 0.380 0.419 0.784 0.432 CB 1.418 38 residues pruned to eliminate duplicates Z: 25 18.061 2.021 0.497 0.495 0.917 0.583 CA 1.336 25 residues pruned to eliminate duplicates Z: 26 15.468 2.025 0.373 0.531 0.840 0.560 CB 1.285 26 residues pruned to eliminate duplicates Z: 56 21.981 1.953 0.515 0.354 0.873 0.418 CB 1.344 56 residues pruned to eliminate duplicates Z: 43 25.208 2.056 0.493 0.480 0.905 0.524 CB 1.429 43 residues pruned to eliminate duplicates Z: 52 20.838 1.986 0.482 0.368 0.863 0.392 CB 1.325 52 residues pruned to eliminate duplicates Z: 12 7.038 1.911 0.300 0.306 0.818 0.273 CA 1.295 12 residues pruned to eliminate duplicates Z: 21 14.226 1.929 0.472 0.434 0.950 0.600 CB 1.262 21 residues pruned to eliminate duplicates Z: 33 19.965 2.032 0.535 0.477 0.906 0.594 CB 1.278 33 residues pruned to eliminate duplicates Z: 58 28.123 2.011 0.525 0.437 0.930 0.526 CB 1.394 58 residues pruned to eliminate duplicates Z: 34 13.123 1.881 0.466 0.434 0.818 0.515 CB 1.084 34 residues pruned to eliminate duplicates Z: 38 18.555 1.996 0.407 0.417 0.811 0.486 CB 1.461 38 residues pruned to eliminate duplicates Z: 24 16.055 1.973 0.456 0.500 0.870 0.609 CB 1.341 24 residues pruned to eliminate duplicates Z: 58 25.347 2.023 0.554 0.444 0.842 0.526 CB 1.344 58 residues pruned to eliminate duplicates Z: 27 13.737 2.049 0.289 0.436 0.885 0.615 CB 1.231 27 residues pruned to eliminate duplicates Z: 84 41.672 2.093 0.684 0.559 0.867 0.578 CB 1.413 84 residues pruned to eliminate duplicates Z: 83 38.926 2.087 0.645 0.505 0.915 0.561 CB 1.363 83 residues pruned to eliminate duplicates Z: 32 16.303 1.993 0.403 0.363 0.871 0.387 CB 1.393 32 residues pruned to eliminate duplicates Z: 45 24.156 2.028 0.504 0.420 0.909 0.523 CB 1.428 45 residues pruned to eliminate duplicates Z: 24 16.813 2.023 0.589 0.386 0.870 0.478 CA 1.415 24 residues pruned to eliminate duplicates Z: 46 21.678 2.011 0.511 0.427 0.889 0.556 CB 1.290 46 residues pruned to eliminate duplicates Z: 36 19.996 1.947 0.623 0.440 0.857 0.486 CB 1.327 36 residues pruned to eliminate duplicates Z: 31 14.329 1.936 0.404 0.328 0.800 0.400 CB 1.454 31 residues pruned to eliminate duplicates Z: 84 37.062 2.032 0.705 0.483 0.880 0.470 CB 1.358 106 residues pruned to eliminate duplicates Z: 20 15.452 2.000 0.615 0.444 0.842 0.368 CB 1.381 20 residues pruned to eliminate duplicates Z: 26 18.544 1.975 0.570 0.399 0.960 0.440 CB 1.386 26 residues pruned to eliminate duplicates Z: 32 16.707 1.929 0.546 0.395 0.806 0.484 CB 1.394 32 residues pruned to eliminate duplicates Z: 33 17.531 1.998 0.519 0.384 0.812 0.531 CB 1.421 33 residues pruned to eliminate duplicates Z: 41 16.849 1.933 0.443 0.333 0.825 0.375 CB 1.391 41 residues pruned to eliminate duplicates Z: 57 26.705 2.025 0.523 0.453 0.857 0.536 CB 1.417 57 residues pruned to eliminate duplicates Z: 51 25.103 1.989 0.482 0.403 0.940 0.540 CB 1.419 51 residues pruned to eliminate duplicates Z: 26 19.109 2.005 0.549 0.417 0.920 0.480 CB 1.459 26 residues pruned to eliminate duplicates Z: 27 21.198 2.028 0.644 0.402 0.962 0.538 CB 1.438 27 residues pruned to eliminate duplicates Z: 36 26.198 2.006 0.669 0.463 0.971 0.429 CB 1.414 36 residues pruned to eliminate duplicates Z: 29 14.963 1.981 0.432 0.365 0.821 0.500 CB 1.403 29 residues pruned to eliminate duplicates Z: 55 22.050 1.906 0.355 0.459 0.907 0.352 CB 1.335 55 residues pruned to eliminate duplicates Z: 17 13.152 1.935 0.561 0.404 0.812 0.500 CA 1.481 17 residues pruned to eliminate duplicates Z: 23 13.329 1.888 0.693 0.400 0.727 0.545 CB 1.358 23 residues pruned to eliminate duplicates Z: 32 15.567 1.836 0.505 0.367 0.903 0.387 CB 1.293 32 residues pruned to eliminate duplicates Z: 54 24.711 1.972 0.419 0.448 0.906 0.604 CA 1.414 54 residues pruned to eliminate duplicates Z: 36 17.160 1.964 0.462 0.360 0.829 0.457 CA 1.417 36 residues pruned to eliminate duplicates Z: 39 21.252 1.987 0.360 0.422 0.947 0.421 CB 1.460 39 residues pruned to eliminate duplicates Z: 20 12.116 1.868 0.314 0.456 0.842 0.526 CA 1.405 20 residues pruned to eliminate duplicates Z: 65 33.931 1.889 0.645 0.645 0.922 0.641 CB 1.293 65 residues pruned to eliminate duplicates Z: 14 13.102 1.806 0.697 0.621 0.769 0.385 CA 1.375 14 residues pruned to eliminate duplicates Z: 10 15.220 1.981 0.697 0.643 0.889 0.556 CB 1.486 10 residues pruned to eliminate duplicates Z: 20 13.274 1.882 0.606 0.469 0.789 0.263 CB 1.317 20 residues pruned to eliminate duplicates Z: 12 13.790 1.981 0.561 0.626 0.818 0.636 CA 1.459 12 residues pruned to eliminate duplicates Z: 53 20.062 1.753 0.471 0.559 0.865 0.596 CB 1.177 53 residues pruned to eliminate duplicates Z: 6 4.156 1.850 0.069 0.270 1.000 0.200 CA 1.222 6 residues pruned to eliminate duplicates Z: 28 14.629 1.799 0.398 0.617 0.815 0.444 CB 1.230 28 residues pruned to eliminate duplicates Z: 15 11.393 1.809 0.456 0.603 0.786 0.286 CB 1.335 15 residues pruned to eliminate duplicates Z: 24 17.058 1.815 0.652 0.635 0.870 0.522 CA 1.201 24 residues pruned to eliminate duplicates Z: 27 11.452 1.762 0.374 0.508 0.769 0.500 CB 1.196 27 residues pruned to eliminate duplicates Z: 15 9.466 1.784 0.626 0.493 0.857 0.571 CB 1.025 15 residues pruned to eliminate duplicates Z: 57 21.364 1.847 0.447 0.389 0.911 0.500 CB 1.320 57 residues pruned to eliminate duplicates Z: 30 25.276 1.926 0.546 0.686 0.966 0.793 CA 1.376 30 residues pruned to eliminate duplicates Z: 28 15.664 1.744 0.645 0.486 0.852 0.519 CA 1.251 28 residues pruned to eliminate duplicates Z: 78 30.232 1.815 0.648 0.610 0.870 0.519 CB 1.192 78 residues pruned to eliminate duplicates Z: 22 20.263 1.860 0.632 0.698 0.905 0.333 CA 1.343 22 residues pruned to eliminate duplicates Z: 34 22.242 1.837 0.487 0.640 0.939 0.485 CB 1.323 34 residues pruned to eliminate duplicates Z: 67 30.925 1.856 0.624 0.619 0.894 0.545 CB 1.262 67 residues pruned to eliminate duplicates Z: 99 33.128 1.884 0.478 0.539 0.867 0.490 CB 1.333 99 residues pruned to eliminate duplicates Z: 21 19.185 1.899 0.528 0.746 0.900 0.600 CA 1.318 21 residues pruned to eliminate duplicates Z: 21 12.620 1.890 0.367 0.428 0.800 0.550 CA 1.472 21 residues pruned to eliminate duplicates Z: 34 16.983 1.871 0.408 0.456 0.848 0.455 CB 1.383 34 residues pruned to eliminate duplicates Z: 67 28.648 1.960 0.544 0.432 0.894 0.500 CB 1.399 67 residues pruned to eliminate duplicates Z: 55 28.487 1.905 0.491 0.504 0.944 0.537 CB 1.440 55 residues pruned to eliminate duplicates Z: 24 19.185 1.896 0.631 0.531 0.913 0.739 CB 1.374 24 residues pruned to eliminate duplicates Z: 54 32.487 1.879 0.672 0.648 0.925 0.623 CB 1.338 54 residues pruned to eliminate duplicates Z: 9 7.110 1.426 0.463 0.606 1.000 0.625 CA 1.090 9 residues pruned to eliminate duplicates Z: 105 40.339 1.902 0.627 0.550 0.913 0.558 CB 1.332 105 residues pruned to eliminate duplicates Z: 50 25.610 1.862 0.569 0.565 0.939 0.571 CB 1.253 49 residues pruned to eliminate duplicates Z: 6 4.706 1.629 -0.012 0.398 1.000 0.200 CA 1.455 6 residues pruned to eliminate duplicates Z: 76 34.413 1.891 0.587 0.582 0.893 0.640 CB 1.369 68 residues pruned to eliminate duplicates Z: 6 8.069 1.648 0.795 0.490 1.000 0.800 CA 1.232 6 residues pruned to eliminate duplicates Z: 64 28.818 1.836 0.671 0.575 0.873 0.492 CB 1.261 64 residues pruned to eliminate duplicates Z: 40 29.339 1.920 0.715 0.610 0.949 0.538 CB 1.355 40 residues pruned to eliminate duplicates Z: 47 27.702 1.921 0.669 0.599 0.870 0.522 CA 1.334 47 residues pruned to eliminate duplicates Z: 45 19.868 1.801 0.524 0.450 0.909 0.500 CA 1.263 45 residues pruned to eliminate duplicates Z: 56 29.745 1.857 0.628 0.609 0.909 0.600 CB 1.316 56 residues pruned to eliminate duplicates Z: 42 25.790 1.883 0.706 0.585 0.902 0.634 CB 1.281 42 residues pruned to eliminate duplicates Z: 36 29.747 1.950 0.746 0.594 0.971 0.657 CB 1.389 36 residues pruned to eliminate duplicates Z: 32 20.940 1.877 0.555 0.557 0.903 0.710 CB 1.350 32 residues pruned to eliminate duplicates Z: 30 17.249 1.775 0.582 0.579 0.931 0.621 CB 1.135 30 residues pruned to eliminate duplicates Z: 38 18.156 1.803 0.428 0.522 0.946 0.649 CA 1.199 38 residues pruned to eliminate duplicates Z: 53 32.636 1.884 0.706 0.622 0.962 0.577 CB 1.306 53 residues pruned to eliminate duplicates Z: 87 39.307 1.893 0.627 0.589 0.953 0.593 CB 1.325 87 residues pruned to eliminate duplicates Z: 53 26.121 1.819 0.655 0.556 0.904 0.519 CB 1.261 53 residues pruned to eliminate duplicates Z: 26 12.858 1.701 0.430 0.555 0.920 0.400 CB 1.089 26 residues pruned to eliminate duplicates Z: 51 26.533 1.873 0.485 0.562 0.940 0.580 CA 1.352 51 residues pruned to eliminate duplicates Z: 49 24.062 1.810 0.560 0.581 0.917 0.583 CB 1.241 49 residues pruned to eliminate duplicates Z: 34 16.319 1.778 0.404 0.610 0.909 0.515 CB 1.128 34 residues pruned to eliminate duplicates Z: 46 28.516 1.857 0.692 0.582 0.911 0.600 CB 1.372 46 residues pruned to eliminate duplicates Z: 40 31.091 1.912 0.767 0.628 0.974 0.564 CA 1.341 40 residues pruned to eliminate duplicates Z: 65 29.303 1.856 0.558 0.593 0.891 0.609 CB 1.301 65 residues pruned to eliminate duplicates Z: 74 35.984 1.902 0.641 0.588 0.918 0.630 CB 1.351 73 residues pruned to eliminate duplicates Z: 6 2.950 1.287 0.898 0.386 1.000 1.000 CA 0.610 6 residues pruned to eliminate duplicates Z: 13 12.697 1.835 0.780 0.579 0.917 0.833 CB 1.134 13 residues pruned to eliminate duplicates Z: 12 11.683 1.783 0.786 0.629 0.818 0.636 CA 1.198 12 residues pruned to eliminate duplicates Z: 51 25.386 1.816 0.575 0.575 0.920 0.580 CB 1.270 51 residues pruned to eliminate duplicates Z: 13 10.798 1.787 0.581 0.507 0.917 0.750 CB 1.195 13 residues pruned to eliminate duplicates Z: 37 25.711 1.907 0.750 0.555 0.972 0.750 CB 1.251 26 residues pruned to eliminate duplicates Z: 6 4.101 1.482 0.312 0.371 1.000 0.600 CA 1.083 6 residues pruned to eliminate duplicates Z: 40 19.326 1.850 0.707 0.469 0.897 0.615 CB 1.127 40 residues pruned to eliminate duplicates Z: 27 21.385 1.923 0.654 0.548 1.000 0.538 CB 1.259 27 residues pruned to eliminate duplicates Z: 43 23.383 1.779 0.773 0.639 0.952 0.667 CB 1.055 43 residues pruned to eliminate duplicates Z: 28 17.391 1.872 0.698 0.429 0.889 0.481 CB 1.275 28 residues pruned to eliminate duplicates Z: 39 22.463 1.871 0.735 0.510 0.947 0.605 CB 1.173 38 residues pruned to eliminate duplicates Z: 7 4.966 1.745 0.570 0.462 0.833 0.667 CA 0.923 7 residues pruned to eliminate duplicates Z: 16 16.936 1.911 0.757 0.536 0.933 0.600 CA 1.347 16 residues pruned to eliminate duplicates Z: 41 20.641 1.821 0.693 0.474 0.925 0.675 CB 1.175 41 residues pruned to eliminate duplicates Z: 30 18.268 1.847 0.602 0.509 0.897 0.517 CB 1.267 30 residues pruned to eliminate duplicates Z: 40 21.878 1.867 0.519 0.486 0.974 0.641 CB 1.285 40 residues pruned to eliminate duplicates Z: 25 20.101 1.929 0.554 0.510 1.000 0.625 CB 1.356 25 residues pruned to eliminate duplicates Z: 22 15.032 1.869 0.479 0.587 0.952 0.476 CB 1.146 22 residues pruned to eliminate duplicates Z: 24 18.001 1.878 0.677 0.537 0.913 0.609 CB 1.259 16 residues pruned to eliminate duplicates Z: 7 6.835 1.474 0.593 0.512 1.000 0.500 C 1.173 7 residues pruned to eliminate duplicates Z: 12 18.421 1.887 0.686 0.772 1.000 0.909 CA 1.372 12 residues pruned to eliminate duplicates Z: 25 16.109 1.770 0.635 0.495 0.917 0.583 CB 1.245 15 residues pruned to eliminate duplicates Z: 7 3.589 1.670 0.076 0.423 0.667 0.167 N 1.324 7 residues pruned to eliminate duplicates Z: 50 38.016 2.157 0.642 0.650 0.898 0.653 CA 1.485 43 residues pruned to eliminate duplicates Z: 21 18.355 1.984 0.517 0.774 0.850 0.650 CA 1.260 21 residues pruned to eliminate duplicates Z: 62 48.693 2.151 0.743 0.671 0.951 0.607 CA 1.493 47 residues pruned to eliminate duplicates Z: 18 27.373 2.068 0.962 0.876 1.000 0.882 CB 1.188 18 residues pruned to eliminate duplicates Z: 25 24.029 2.075 0.722 0.625 0.917 0.708 CA 1.331 25 residues pruned to eliminate duplicates Z: 59 38.978 2.077 0.683 0.706 0.914 0.638 CA 1.328 59 residues pruned to eliminate duplicates Z: 32 20.532 1.923 0.781 0.473 0.871 0.581 CB 1.271 32 residues pruned to eliminate duplicates Z: 63 45.676 2.120 0.940 0.649 0.855 0.500 CB 1.436 64 residues pruned to eliminate duplicates Z: 21 23.141 1.958 0.811 0.759 0.950 0.650 CB 1.220 21 residues pruned to eliminate duplicates Z: 45 42.666 2.161 0.764 0.718 0.955 0.705 CA 1.452 45 residues pruned to eliminate duplicates Z: 86 41.373 2.017 0.658 0.638 0.906 0.624 CB 1.302 86 residues pruned to eliminate duplicates Z: 62 44.691 2.111 0.743 0.670 0.918 0.607 CB 1.447 62 residues pruned to eliminate duplicates Z: 22 24.108 1.972 0.969 0.714 0.857 0.571 CB 1.301 22 residues pruned to eliminate duplicates Z: 47 39.717 2.184 0.755 0.663 0.891 0.717 CA 1.474 47 residues pruned to eliminate duplicates Z: 45 24.788 1.924 0.655 0.480 0.932 0.477 CB 1.286 45 residues pruned to eliminate duplicates Z: 53 37.899 2.121 0.748 0.614 0.885 0.577 CB 1.438 53 residues pruned to eliminate duplicates Z: 42 48.851 2.218 0.836 0.742 0.951 0.659 CA 1.586 42 residues pruned to eliminate duplicates Z: 62 49.092 2.125 0.890 0.669 0.918 0.639 CA 1.458 62 residues pruned to eliminate duplicates Z: 56 53.974 2.159 0.923 0.736 0.945 0.636 CA 1.500 56 residues pruned to eliminate duplicates Z: 63 38.511 2.077 0.702 0.605 0.935 0.629 CB 1.339 63 residues pruned to eliminate duplicates Z: 27 32.353 2.115 0.808 0.678 0.923 0.692 CB 1.526 27 residues pruned to eliminate duplicates Z: 46 44.158 2.172 0.992 0.687 0.911 0.511 CB 1.407 46 residues pruned to eliminate duplicates Z: 53 39.458 2.130 0.753 0.619 0.885 0.692 CB 1.480 53 residues pruned to eliminate duplicates Z: 61 50.800 2.167 0.882 0.688 0.917 0.583 CB 1.477 61 residues pruned to eliminate duplicates Z: 38 37.209 2.148 0.791 0.654 0.919 0.622 CA 1.499 38 residues pruned to eliminate duplicates Z: 39 41.772 2.160 0.884 0.722 0.921 0.658 CA 1.480 39 residues pruned to eliminate duplicates Z: 39 41.012 2.167 0.799 0.716 0.921 0.632 CA 1.523 39 residues pruned to eliminate duplicates Z: 77 50.726 2.092 0.863 0.597 0.934 0.553 CB 1.457 77 residues pruned to eliminate duplicates Z: 19 30.759 2.260 0.594 0.869 0.889 0.500 CB 1.654 19 residues pruned to eliminate duplicates Z: 45 43.234 2.195 0.919 0.705 0.909 0.568 CB 1.412 45 residues pruned to eliminate duplicates Z: 62 48.955 2.117 0.872 0.660 0.934 0.459 CB 1.459 62 residues pruned to eliminate duplicates Z: 42 44.426 2.110 1.034 0.697 0.902 0.634 CA 1.496 42 residues pruned to eliminate duplicates Z: 19 32.279 2.264 0.535 0.869 0.944 0.833 CA 1.694 19 residues pruned to eliminate duplicates Z: 47 46.083 2.197 0.971 0.684 0.935 0.652 CB 1.418 47 residues pruned to eliminate duplicates Z: 41 50.818 2.194 1.014 0.772 0.950 0.625 CB 1.504 41 residues pruned to eliminate duplicates Z: 70 46.891 2.059 0.893 0.622 0.899 0.551 CB 1.437 70 residues pruned to eliminate duplicates Z: 61 51.964 2.145 0.950 0.691 0.917 0.667 CB 1.469 61 residues pruned to eliminate duplicates Z: 38 46.382 2.192 0.968 0.712 0.973 0.622 CA 1.500 38 residues pruned to eliminate duplicates Z: 63 48.326 2.132 0.834 0.661 0.919 0.565 CB 1.471 63 residues pruned to eliminate duplicates Z: 42 47.725 2.115 1.041 0.688 0.951 0.537 CA 1.528 43 residues pruned to eliminate duplicates Z: 11 20.113 1.997 1.233 0.811 1.000 0.000 CA 1.088 11 residues pruned to eliminate duplicates Z: 60 49.768 2.150 0.936 0.692 0.915 0.492 CB 1.427 60 residues pruned to eliminate duplicates Z: 17 18.290 1.992 0.830 0.669 0.875 0.125 CA 1.227 17 residues pruned to eliminate duplicates Z: 15 15.856 1.861 1.014 0.613 0.929 0.214 CA 1.094 15 residues pruned to eliminate duplicates Z: 56 53.603 2.140 0.936 0.739 0.945 0.636 CB 1.489 56 residues pruned to eliminate duplicates Z: 17 22.715 2.000 0.843 0.682 1.000 0.500 CA 1.303 17 residues pruned to eliminate duplicates Z: 57 54.201 2.130 0.960 0.752 0.946 0.554 CB 1.464 57 residues pruned to eliminate duplicates Z: 38 44.280 2.188 0.826 0.739 0.919 0.649 CB 1.600 38 residues pruned to eliminate duplicates Z: 14 21.667 2.047 0.863 0.734 1.000 0.769 CA 1.277 14 residues pruned to eliminate duplicates Z: 6 3.565 1.247 1.008 0.406 0.800 0.400 CB 0.879 2 residues pruned to eliminate duplicates Z: 11 23.920 2.011 1.177 0.939 1.000 0.500 CA 1.201 15 residues pruned to eliminate duplicates 511 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 96 D: 82 E: 31 F: 13 G: 17 H: 20 I: 201 J: 37 CC for partial structure against native data = 36.54 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.430, Connect. = 0.698 for dens.mod. cycle 1 = 0.300, Contrast = 0.500, Connect. = 0.721 for dens.mod. cycle 2 = 0.300, Contrast = 0.595, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.596, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.604, Connect. = 0.757 for dens.mod. cycle 5 = 0.300, Contrast = 0.605, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.609, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.610, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.614, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.614, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4120 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 766 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 34.287 2.413 0.897 0.921 0.909 0.727 CA 1.748 B: 15 27.572 2.050 0.815 0.857 1.000 0.643 CA 1.459 15 residues pruned to eliminate duplicates C: 12 28.662 2.385 0.661 0.915 0.909 0.818 CA 1.695 12 residues pruned to eliminate duplicates D: 20 40.263 2.249 0.718 0.932 1.000 0.789 CA 1.669 E: 12 34.098 2.296 0.894 0.876 1.000 0.727 CA 1.718 11 residues pruned to eliminate duplicates F: 14 30.117 2.040 1.091 0.888 1.000 0.769 CA 1.411 G: 13 37.059 2.278 0.943 0.929 1.000 0.917 CA 1.692 13 residues pruned to eliminate duplicates H: 19 14.425 1.938 0.628 0.416 0.833 0.389 CA 1.411 I: 13 31.047 2.321 0.757 0.914 0.917 0.750 CA 1.696 13 residues pruned to eliminate duplicates J: 17 13.242 1.927 0.517 0.572 0.812 0.625 CA 1.300 K: 13 26.047 2.307 0.539 0.909 0.917 0.917 CA 1.640 13 residues pruned to eliminate duplicates L: 19 38.264 2.246 0.899 0.923 0.889 0.389 CB 1.671 20 residues pruned to eliminate duplicates M: 19 48.204 2.355 0.905 0.932 1.000 0.667 CA 1.769 19 residues pruned to eliminate duplicates N: 21 32.570 2.184 0.721 0.905 0.900 0.800 CA 1.533 21 residues pruned to eliminate duplicates O: 19 22.587 2.097 0.736 0.587 0.944 0.722 CB 1.424 17 residues pruned to eliminate duplicates P: 18 26.272 2.255 0.268 0.900 1.000 0.824 CA 1.592 18 residues pruned to eliminate duplicates Q: 13 28.571 2.279 0.863 0.917 0.833 0.667 CA 1.645 13 residues pruned to eliminate duplicates R: 34 26.324 2.013 0.512 0.616 0.939 0.576 CA 1.436 19 residues pruned to eliminate duplicates S: 11 16.022 2.094 0.412 0.921 1.000 0.600 CB 1.207 T: 41 25.154 1.866 0.606 0.616 0.925 0.575 CB 1.286 U: 11 14.791 2.132 0.491 0.905 0.900 0.700 CB 1.164 11 residues pruned to eliminate duplicates V: 19 10.638 1.830 0.532 0.512 0.778 0.556 CB 1.135 W: 17 22.402 2.067 0.551 0.868 1.000 0.812 CA 1.277 X: 14 28.950 2.083 0.891 0.931 1.000 0.923 CB 1.424 14 residues pruned to eliminate duplicates Y: 11 16.205 2.119 0.456 0.558 1.000 0.800 CB 1.570 19 residues pruned to eliminate duplicates Z: 19 35.763 2.282 0.656 0.935 0.944 0.889 CA 1.646 19 residues pruned to eliminate duplicates Z: 6 10.134 1.965 0.507 0.695 1.000 0.800 CA 1.281 Z: 13 26.805 2.195 0.780 0.909 0.917 0.833 CB 1.533 13 residues pruned to eliminate duplicates Z: 21 12.883 1.965 0.366 0.413 0.850 0.650 CA 1.383 Z: 14 21.933 2.111 0.832 0.829 1.000 0.846 CA 1.184 Z: 12 16.896 2.046 0.495 0.874 1.000 0.727 CB 1.212 11 residues pruned to eliminate duplicates Z: 24 19.924 2.063 0.743 0.539 0.826 0.696 CA 1.346 25 residues pruned to eliminate duplicates Z: 18 45.668 2.228 1.086 0.918 1.000 0.706 CA 1.680 18 residues pruned to eliminate duplicates Z: 15 25.034 2.057 1.002 0.935 0.857 0.500 CB 1.321 15 residues pruned to eliminate duplicates Z: 11 11.148 1.991 0.297 0.601 0.800 0.600 CA 1.550 11 residues pruned to eliminate duplicates Z: 35 15.681 1.947 0.499 0.342 0.765 0.441 CB 1.431 21 residues pruned to eliminate duplicates Z: 20 26.037 1.902 0.646 0.894 0.947 0.579 CB 1.446 20 residues pruned to eliminate duplicates Z: 13 32.468 2.295 0.927 0.907 0.917 0.583 CA 1.644 13 residues pruned to eliminate duplicates Z: 11 12.690 1.991 0.718 0.504 0.800 0.500 CA 1.460 Z: 30 33.251 2.107 0.772 0.647 0.897 0.586 CB 1.608 26 residues pruned to eliminate duplicates Z: 15 28.847 2.088 0.898 0.929 0.929 0.571 CB 1.467 15 residues pruned to eliminate duplicates Z: 34 29.607 2.157 0.778 0.597 0.909 0.485 CB 1.348 25 residues pruned to eliminate duplicates Z: 20 37.540 2.189 0.827 0.895 0.947 0.632 CA 1.629 20 residues pruned to eliminate duplicates Z: 14 27.789 2.148 1.118 0.906 1.000 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 19 39.386 2.287 0.795 0.928 0.944 0.278 CB 1.677 19 residues pruned to eliminate duplicates Z: 21 34.486 2.191 0.879 0.874 0.900 0.700 CA 1.515 21 residues pruned to eliminate duplicates Z: 13 34.777 2.355 0.932 0.901 0.917 0.417 CA 1.718 13 residues pruned to eliminate duplicates Z: 17 31.027 2.128 0.734 0.914 1.000 0.812 CB 1.488 17 residues pruned to eliminate duplicates Z: 17 15.941 1.993 0.341 0.851 0.938 0.688 CB 1.177 17 residues pruned to eliminate duplicates Z: 14 22.067 2.125 0.544 0.905 0.846 0.538 CA 1.569 14 residues pruned to eliminate duplicates Z: 39 22.879 2.099 0.564 0.540 0.868 0.658 CA 1.252 26 residues pruned to eliminate duplicates Z: 20 22.087 2.031 0.604 0.589 0.895 0.737 CA 1.597 20 residues pruned to eliminate duplicates Z: 13 27.029 2.240 0.660 0.908 1.000 0.833 CB 1.491 13 residues pruned to eliminate duplicates Z: 13 11.828 2.016 0.299 0.913 1.000 0.833 CB 0.922 Z: 21 28.212 2.139 0.705 0.842 0.850 0.700 CA 1.516 21 residues pruned to eliminate duplicates Z: 20 29.003 2.259 0.507 0.903 0.947 0.895 CA 1.470 20 residues pruned to eliminate duplicates Z: 13 33.336 2.346 0.885 0.923 0.917 0.917 CA 1.668 13 residues pruned to eliminate duplicates Z: 20 31.546 2.226 0.524 0.898 0.947 0.842 CA 1.611 20 residues pruned to eliminate duplicates Z: 14 27.946 2.193 0.744 0.906 0.923 0.615 CA 1.562 14 residues pruned to eliminate duplicates Z: 13 28.779 2.302 0.684 0.911 0.917 0.833 CA 1.656 13 residues pruned to eliminate duplicates Z: 12 28.963 2.277 0.933 0.916 1.000 0.545 CB 1.401 12 residues pruned to eliminate duplicates Z: 27 27.031 2.183 0.827 0.458 0.962 0.615 CA 1.443 31 residues pruned to eliminate duplicates Z: 12 35.133 2.313 1.048 0.927 1.000 0.545 CA 1.567 12 residues pruned to eliminate duplicates Z: 7 14.181 1.984 0.503 0.766 1.000 0.500 CA 1.534 Z: 56 57.815 2.185 0.943 0.767 0.945 0.673 CA 1.533 40 residues pruned to eliminate duplicates Z: 13 27.384 2.136 1.115 0.937 1.000 0.667 CB 1.218 13 residues pruned to eliminate duplicates Z: 8 13.216 2.002 0.280 0.758 1.000 0.429 CA 1.550 7 residues pruned to eliminate duplicates Z: 27 23.747 2.071 0.672 0.584 0.846 0.692 CA 1.466 27 residues pruned to eliminate duplicates Z: 7 12.758 2.059 0.722 0.715 0.833 0.667 CA 1.450 7 residues pruned to eliminate duplicates Z: 12 29.249 2.238 0.958 0.895 1.000 0.818 CB 1.442 13 residues pruned to eliminate duplicates Z: 16 22.415 1.987 1.006 0.949 1.000 0.667 CB 1.002 13 residues pruned to eliminate duplicates Z: 19 26.964 2.095 0.940 0.834 0.944 0.722 CB 1.241 19 residues pruned to eliminate duplicates Z: 12 20.287 1.904 0.911 0.925 1.000 0.727 CA 1.180 12 residues pruned to eliminate duplicates Z: 14 27.557 2.124 0.977 0.907 1.000 0.385 CB 1.293 14 residues pruned to eliminate duplicates Z: 13 21.608 2.222 0.683 0.891 0.917 0.750 CB 1.309 13 residues pruned to eliminate duplicates Z: 12 22.348 2.288 0.479 0.872 0.909 0.636 CA 1.596 12 residues pruned to eliminate duplicates Z: 7 6.249 1.914 0.508 0.441 0.833 0.667 CB 1.127 Z: 23 18.227 2.121 0.413 0.511 0.909 0.545 CB 1.410 11 residues pruned to eliminate duplicates Z: 19 14.165 2.006 0.597 0.432 0.889 0.611 CB 1.259 14 residues pruned to eliminate duplicates Z: 20 31.313 2.068 0.660 0.901 1.000 0.684 CA 1.494 20 residues pruned to eliminate duplicates Z: 8 5.024 1.956 0.481 0.895 0.857 0.571 CB 0.548 8 residues pruned to eliminate duplicates Z: 7 5.206 1.716 0.344 0.772 1.000 0.833 CB 0.725 7 residues pruned to eliminate duplicates Z: 20 29.897 2.050 0.685 0.899 1.000 0.632 CA 1.419 20 residues pruned to eliminate duplicates Z: 19 25.198 1.867 0.913 0.923 1.000 0.722 CB 1.168 19 residues pruned to eliminate duplicates Z: 23 15.708 1.919 0.500 0.489 0.864 0.636 CA 1.363 23 residues pruned to eliminate duplicates Z: 19 17.648 2.002 0.500 0.819 0.778 0.667 CA 1.351 19 residues pruned to eliminate duplicates Z: 57 37.031 2.125 0.579 0.544 0.911 0.518 CA 1.551 51 residues pruned to eliminate duplicates Z: 12 34.808 2.349 0.947 0.927 1.000 0.545 CA 1.608 12 residues pruned to eliminate duplicates Z: 37 16.898 1.735 0.452 0.541 0.889 0.500 CA 1.208 18 residues pruned to eliminate duplicates Z: 30 23.184 1.816 0.674 0.662 0.966 0.621 CB 1.263 34 residues pruned to eliminate duplicates Z: 13 27.701 2.221 0.682 0.885 1.000 0.750 CB 1.545 13 residues pruned to eliminate duplicates Z: 21 27.481 2.156 0.609 0.884 0.900 0.800 CA 1.422 21 residues pruned to eliminate duplicates Z: 16 15.707 1.840 0.343 0.890 0.933 0.733 CB 1.265 16 residues pruned to eliminate duplicates Z: 19 31.043 2.285 0.654 0.902 1.000 0.833 CA 1.381 19 residues pruned to eliminate duplicates Z: 34 21.985 1.913 0.347 0.576 0.909 0.606 CB 1.519 34 residues pruned to eliminate duplicates Z: 20 25.946 1.992 0.557 0.914 1.000 0.842 CB 1.358 20 residues pruned to eliminate duplicates Z: 14 24.926 2.066 1.266 0.934 1.000 0.385 CB 1.030 15 residues pruned to eliminate duplicates Z: 6 7.072 1.705 0.753 0.725 0.800 0.800 CB 1.080 Z: 10 26.082 1.966 1.367 0.882 1.000 0.667 CA 1.352 10 residues pruned to eliminate duplicates Z: 9 13.078 2.163 0.315 0.540 1.000 0.875 CB 1.564 Z: 26 17.267 1.969 0.618 0.479 0.840 0.600 CB 1.319 35 residues pruned to eliminate duplicates Z: 18 25.709 2.126 0.631 0.827 1.000 0.824 CB 1.355 18 residues pruned to eliminate duplicates Z: 12 19.254 1.874 0.779 0.933 1.000 0.727 CA 1.215 12 residues pruned to eliminate duplicates Z: 11 20.106 2.028 0.780 0.871 1.000 0.700 CA 1.285 11 residues pruned to eliminate duplicates Z: 61 37.245 2.115 0.752 0.558 0.900 0.517 CA 1.362 61 residues pruned to eliminate duplicates Z: 20 28.160 2.018 0.663 0.913 0.947 0.632 CA 1.438 20 residues pruned to eliminate duplicates Z: 37 15.642 1.929 0.615 0.388 0.750 0.500 CB 1.256 37 residues pruned to eliminate duplicates Z: 17 20.912 2.033 0.456 0.858 0.875 0.688 CB 1.486 17 residues pruned to eliminate duplicates Z: 44 20.000 2.043 0.341 0.452 0.814 0.581 CB 1.437 30 residues pruned to eliminate duplicates Z: 12 31.642 2.328 0.927 0.932 1.000 1.000 CA 1.486 12 residues pruned to eliminate duplicates Z: 81 40.779 2.121 0.676 0.549 0.863 0.512 CB 1.418 81 residues pruned to eliminate duplicates Z: 6 8.909 2.086 0.772 0.853 0.800 0.800 CB 0.996 6 residues pruned to eliminate duplicates Z: 29 19.901 1.815 0.518 0.726 0.964 0.536 CB 1.155 Z: 12 18.944 1.853 0.904 0.901 1.000 0.545 CA 1.155 12 residues pruned to eliminate duplicates Z: 16 14.102 1.967 0.524 0.458 0.867 0.667 CB 1.462 16 residues pruned to eliminate duplicates Z: 9 9.100 2.069 0.183 0.906 1.000 0.750 CB 0.935 9 residues pruned to eliminate duplicates Z: 36 18.205 2.042 0.445 0.417 0.829 0.486 CB 1.373 36 residues pruned to eliminate duplicates Z: 8 7.667 1.611 0.376 0.769 1.000 0.714 CA 1.030 8 residues pruned to eliminate duplicates Z: 29 15.380 2.012 0.291 0.414 0.857 0.571 CB 1.427 31 residues pruned to eliminate duplicates Z: 73 37.503 2.095 0.523 0.580 0.861 0.583 CB 1.489 73 residues pruned to eliminate duplicates Z: 12 13.033 2.073 0.300 0.933 1.000 1.000 CB 1.017 12 residues pruned to eliminate duplicates Z: 60 38.477 2.112 0.747 0.592 0.915 0.559 CA 1.359 59 residues pruned to eliminate duplicates Z: 12 25.204 2.149 1.075 0.869 0.909 0.727 CA 1.369 12 residues pruned to eliminate duplicates Z: 11 3.534 1.569 0.536 0.433 0.800 0.400 CB 0.621 Z: 40 23.724 1.814 0.569 0.640 0.949 0.744 CB 1.235 58 residues pruned to eliminate duplicates Z: 13 37.332 2.339 1.069 0.912 0.917 0.417 CB 1.721 13 residues pruned to eliminate duplicates Z: 18 16.894 2.041 0.160 0.891 0.941 0.882 CA 1.323 18 residues pruned to eliminate duplicates Z: 13 19.489 2.142 0.584 0.923 1.000 0.667 CA 1.165 13 residues pruned to eliminate duplicates Z: 53 25.224 2.037 0.404 0.415 0.904 0.538 CB 1.479 45 residues pruned to eliminate duplicates Z: 65 36.383 2.106 0.484 0.569 0.906 0.562 CA 1.502 65 residues pruned to eliminate duplicates Z: 37 17.088 2.016 0.465 0.406 0.861 0.583 CB 1.237 37 residues pruned to eliminate duplicates Z: 12 17.739 1.892 0.887 0.877 0.909 0.545 CA 1.197 12 residues pruned to eliminate duplicates Z: 57 26.499 2.030 0.449 0.458 0.875 0.554 CB 1.436 58 residues pruned to eliminate duplicates Z: 29 17.952 1.961 0.680 0.485 0.857 0.536 CB 1.220 29 residues pruned to eliminate duplicates Z: 19 27.264 2.059 0.502 0.907 1.000 0.833 CA 1.476 19 residues pruned to eliminate duplicates Z: 13 25.819 2.214 1.065 0.900 0.833 0.417 CA 1.398 13 residues pruned to eliminate duplicates Z: 12 20.961 2.174 0.869 0.892 0.818 0.364 CB 1.366 12 residues pruned to eliminate duplicates Z: 8 8.043 1.897 0.490 0.706 0.857 0.714 CB 1.040 7 residues pruned to eliminate duplicates Z: 13 35.306 2.303 1.070 0.893 0.917 0.417 CB 1.674 13 residues pruned to eliminate duplicates Z: 17 20.694 1.774 0.707 0.841 1.000 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 14 24.916 2.117 0.532 0.925 1.000 0.846 CB 1.495 14 residues pruned to eliminate duplicates Z: 7 7.938 1.729 0.549 0.659 1.000 0.667 CA 1.044 7 residues pruned to eliminate duplicates Z: 12 12.980 1.825 0.473 0.888 1.000 0.909 CA 1.049 12 residues pruned to eliminate duplicates Z: 31 24.071 2.043 0.823 0.547 0.900 0.467 CB 1.252 31 residues pruned to eliminate duplicates Z: 22 17.806 2.094 0.497 0.464 0.905 0.571 CA 1.422 22 residues pruned to eliminate duplicates Z: 15 14.998 1.921 0.462 0.921 0.929 0.786 CB 1.082 15 residues pruned to eliminate duplicates Z: 13 38.116 2.217 1.144 0.918 1.000 0.500 CA 1.633 13 residues pruned to eliminate duplicates Z: 8 9.263 1.741 0.586 0.529 0.857 0.571 N 1.439 8 residues pruned to eliminate duplicates Z: 46 43.878 2.190 0.882 0.692 0.889 0.622 CB 1.498 46 residues pruned to eliminate duplicates Z: 16 18.032 1.775 0.563 0.938 1.000 1.000 CA 1.167 Z: 12 12.812 2.070 0.328 0.925 0.909 0.727 CB 1.084 12 residues pruned to eliminate duplicates Z: 7 5.350 1.595 0.174 0.493 0.833 0.833 CB 1.410 Z: 9 4.838 1.745 0.267 0.413 0.750 0.625 CB 1.130 Z: 8 9.472 1.902 0.498 0.720 0.857 0.571 CA 1.202 22 residues pruned to eliminate duplicates Z: 32 15.691 1.966 0.389 0.373 0.839 0.419 CB 1.409 32 residues pruned to eliminate duplicates 6 1.495 1.430 0.108 0.481 0.600 0.600 N 0.717 ? Z: 12 20.661 1.885 1.005 0.850 1.000 0.545 CA 1.221 12 residues pruned to eliminate duplicates Z: 13 36.999 2.264 1.172 0.929 0.917 0.417 CB 1.659 13 residues pruned to eliminate duplicates Z: 11 9.236 1.603 0.674 0.570 0.900 0.800 CB 1.131 Z: 7 3.856 1.608 0.075 0.441 0.833 0.333 CA 1.162 Z: 12 28.854 2.332 0.868 0.926 1.000 0.455 CA 1.401 12 residues pruned to eliminate duplicates Z: 7 3.304 1.557 -0.083 0.808 1.000 0.667 CB 0.722 6 residues pruned to eliminate duplicates Z: 9 5.981 1.894 0.515 0.564 0.875 0.750 CB 0.791 8 residues pruned to eliminate duplicates Z: 12 17.941 2.235 0.404 0.932 1.000 1.000 CA 1.204 12 residues pruned to eliminate duplicates Z: 21 16.346 1.998 0.612 0.590 0.850 0.450 CA 1.225 21 residues pruned to eliminate duplicates Z: 22 33.301 1.902 1.011 0.861 1.000 0.619 CA 1.395 22 residues pruned to eliminate duplicates Z: 17 15.405 1.723 0.312 0.845 1.000 0.750 CB 1.267 Z: 12 21.753 2.253 0.644 0.898 0.909 0.909 CA 1.393 12 residues pruned to eliminate duplicates Z: 36 18.087 2.013 0.628 0.417 0.743 0.486 CA 1.370 36 residues pruned to eliminate duplicates Z: 16 10.911 1.763 0.402 0.441 0.933 0.667 CA 1.299 7 residues pruned to eliminate duplicates Z: 17 28.180 2.051 0.881 0.884 1.000 0.812 CB 1.320 17 residues pruned to eliminate duplicates Z: 12 12.815 1.992 0.481 0.523 0.909 0.727 CB 1.408 15 residues pruned to eliminate duplicates Z: 10 17.760 1.976 0.707 0.878 1.000 0.889 CA 1.274 10 residues pruned to eliminate duplicates Z: 20 13.771 1.833 0.464 0.508 1.000 0.632 CB 1.167 22 residues pruned to eliminate duplicates Z: 44 30.031 2.058 0.651 0.524 0.907 0.581 CB 1.451 44 residues pruned to eliminate duplicates Z: 17 14.014 1.767 0.483 0.811 0.875 0.750 CB 1.166 17 residues pruned to eliminate duplicates Z: 14 30.046 2.097 1.060 0.931 1.000 0.615 CB 1.348 14 residues pruned to eliminate duplicates Z: 11 9.462 1.705 0.551 0.844 0.900 0.600 CA 0.936 7 1.868 1.496 0.447 0.247 0.667 0.500 CB 0.707 ? Z: 19 18.515 2.067 0.459 0.544 0.944 0.667 CA 1.468 19 residues pruned to eliminate duplicates Z: 12 15.755 1.911 0.672 0.903 0.909 0.818 CA 1.166 12 residues pruned to eliminate duplicates Z: 6 6.640 1.747 0.460 0.762 0.800 0.800 CA 1.153 6 residues pruned to eliminate duplicates Z: 12 15.805 1.983 0.596 0.824 1.000 0.636 CB 1.138 12 residues pruned to eliminate duplicates Z: 15 14.215 1.701 0.367 0.786 1.000 0.857 CB 1.271 15 residues pruned to eliminate duplicates Z: 9 13.250 2.137 0.548 0.640 0.875 0.625 CA 1.419 9 residues pruned to eliminate duplicates Z: 17 17.483 1.835 0.420 0.834 1.000 0.438 CB 1.256 17 residues pruned to eliminate duplicates Z: 16 12.309 1.757 0.062 0.921 1.000 1.000 CB 1.199 16 residues pruned to eliminate duplicates Z: 7 6.187 1.784 1.057 0.380 0.667 0.667 N 1.173 Z: 15 6.534 1.662 0.309 0.342 0.857 0.643 CB 1.112 Z: 21 28.670 2.135 0.530 0.884 0.950 0.750 CA 1.493 21 residues pruned to eliminate duplicates Z: 10 8.349 1.559 0.269 0.824 0.889 0.778 CB 1.195 10 residues pruned to eliminate duplicates Z: 15 11.082 1.889 0.647 0.895 0.929 0.500 CB 0.735 16 residues pruned to eliminate duplicates Z: 51 20.199 1.823 0.498 0.464 0.880 0.360 CB 1.233 51 residues pruned to eliminate duplicates Z: 13 19.902 1.910 1.101 0.635 0.917 0.750 CA 1.377 13 residues pruned to eliminate duplicates Z: 36 16.617 1.960 0.484 0.419 0.886 0.514 CB 1.186 36 residues pruned to eliminate duplicates Z: 17 18.203 1.777 0.568 0.872 1.000 0.688 CA 1.191 17 residues pruned to eliminate duplicates Z: 17 24.642 2.110 0.996 0.850 0.875 0.438 CB 1.238 17 residues pruned to eliminate duplicates Z: 11 12.917 1.935 0.640 0.645 0.900 0.800 CA 1.249 11 residues pruned to eliminate duplicates Z: 19 13.333 1.621 0.346 0.827 0.944 0.778 CB 1.149 18 residues pruned to eliminate duplicates Z: 9 7.773 1.583 0.604 0.771 0.875 0.750 CA 0.973 Z: 9 12.645 1.847 0.318 0.811 1.000 1.000 CA 1.401 9 residues pruned to eliminate duplicates Z: 37 33.042 2.173 0.841 0.674 0.889 0.528 CB 1.319 50 residues pruned to eliminate duplicates Z: 12 8.602 1.698 0.490 0.601 0.909 0.636 CA 1.024 14 residues pruned to eliminate duplicates Z: 10 5.507 1.532 0.586 0.789 0.667 0.333 CB 0.879 10 residues pruned to eliminate duplicates Z: 12 10.431 1.767 0.537 0.583 0.909 0.636 CA 1.176 13 residues pruned to eliminate duplicates Z: 30 21.099 1.790 0.750 0.728 0.897 0.724 CB 1.136 30 residues pruned to eliminate duplicates Z: 24 9.976 1.627 0.661 0.670 0.870 0.435 CB 0.757 11 residues pruned to eliminate duplicates Z: 45 20.130 1.860 0.541 0.507 0.841 0.545 CB 1.250 59 residues pruned to eliminate duplicates Z: 30 15.172 1.742 0.630 0.523 0.931 0.621 CB 1.042 15 residues pruned to eliminate duplicates Z: 9 5.251 1.477 0.526 0.485 0.875 0.750 CB 0.956 Z: 16 17.352 1.789 0.729 0.918 0.933 0.467 CB 1.094 16 residues pruned to eliminate duplicates Z: 15 17.681 2.028 0.727 0.924 1.000 0.786 CB 0.947 15 residues pruned to eliminate duplicates Z: 19 35.597 2.272 0.705 0.879 0.944 0.833 CA 1.663 19 residues pruned to eliminate duplicates Z: 16 16.817 1.877 0.308 0.903 0.933 0.667 CB 1.350 16 residues pruned to eliminate duplicates Z: 17 13.040 1.695 0.685 0.581 0.875 0.688 CB 1.206 17 residues pruned to eliminate duplicates Z: 10 7.861 1.835 0.181 0.483 1.000 0.667 CB 1.229 9 residues pruned to eliminate duplicates Z: 14 11.384 1.668 0.681 0.890 1.000 0.538 CB 0.810 13 residues pruned to eliminate duplicates Z: 46 34.954 2.184 0.636 0.540 0.956 0.578 CB 1.468 46 residues pruned to eliminate duplicates Z: 61 35.903 2.100 0.623 0.515 0.933 0.617 CA 1.436 61 residues pruned to eliminate duplicates Z: 12 11.135 1.781 0.266 0.649 1.000 0.727 CB 1.296 12 residues pruned to eliminate duplicates Z: 15 15.388 1.950 1.007 0.537 0.786 0.643 CA 1.290 15 residues pruned to eliminate duplicates Z: 7 7.776 1.399 0.714 0.768 1.000 0.833 CB 1.044 Z: 17 16.213 1.703 0.537 0.834 1.000 0.688 CB 1.161 17 residues pruned to eliminate duplicates Z: 19 29.582 2.081 0.631 0.902 0.944 0.778 CA 1.552 19 residues pruned to eliminate duplicates Z: 17 16.769 1.786 0.602 0.859 0.938 0.625 CB 1.150 17 residues pruned to eliminate duplicates Z: 9 10.556 1.632 0.530 0.854 1.000 0.750 CA 1.104 9 residues pruned to eliminate duplicates Z: 24 14.808 1.768 0.703 0.587 0.870 0.652 CB 1.085 24 residues pruned to eliminate duplicates Z: 40 18.700 2.003 0.556 0.385 0.821 0.436 CB 1.323 37 residues pruned to eliminate duplicates Z: 20 19.054 1.949 0.504 0.844 0.947 0.895 CB 1.171 20 residues pruned to eliminate duplicates Z: 29 14.785 1.769 0.470 0.453 0.857 0.607 CB 1.315 29 residues pruned to eliminate duplicates Z: 18 24.833 2.090 0.661 0.873 0.824 0.765 CB 1.534 18 residues pruned to eliminate duplicates Z: 7 12.860 1.671 0.899 0.808 1.000 0.833 CB 1.265 Z: 14 31.196 2.098 1.015 0.935 1.000 0.769 CA 1.426 14 residues pruned to eliminate duplicates Z: 7 9.026 1.817 0.924 0.524 0.833 0.667 N 1.235 Z: 8 4.935 1.360 0.198 0.758 1.000 0.714 CA 0.911 8 residues pruned to eliminate duplicates Z: 21 18.304 1.920 0.714 0.498 0.850 0.600 CB 1.466 21 residues pruned to eliminate duplicates Z: 8 6.536 1.763 0.323 0.897 1.000 0.714 CB 0.758 8 residues pruned to eliminate duplicates Z: 14 7.852 1.692 0.590 0.464 0.846 0.615 CA 0.992 14 residues pruned to eliminate duplicates Z: 7 9.748 1.597 0.780 0.737 1.000 0.500 CA 1.133 7 residues pruned to eliminate duplicates Z: 16 13.778 1.764 0.236 0.929 1.000 0.800 CB 1.142 16 residues pruned to eliminate duplicates Z: 21 23.619 2.111 0.886 0.755 0.800 0.650 CA 1.321 21 residues pruned to eliminate duplicates Z: 10 7.977 1.651 0.129 0.755 1.000 0.778 CB 1.136 10 residues pruned to eliminate duplicates Z: 7 2.250 1.361 0.100 0.279 0.833 0.333 N 0.945 Z: 6 3.688 1.565 0.241 0.561 0.800 0.600 CA 1.000 6 residues pruned to eliminate duplicates Z: 10 5.809 1.855 -0.004 0.415 0.889 0.667 CA 1.288 10 residues pruned to eliminate duplicates Z: 12 11.830 1.711 0.512 0.674 1.000 0.818 CB 1.174 12 residues pruned to eliminate duplicates Z: 22 11.862 1.684 0.700 0.622 0.905 0.429 CB 0.890 22 residues pruned to eliminate duplicates Z: 6 5.026 1.289 0.837 0.845 0.800 0.600 N 0.883 6 residues pruned to eliminate duplicates Z: 6 2.978 1.585 -0.015 0.479 0.800 0.800 CB 1.089 Z: 8 7.454 1.724 0.201 0.790 0.857 0.714 CB 1.230 8 residues pruned to eliminate duplicates Z: 10 7.647 1.924 0.518 0.471 0.667 0.444 CB 1.348 10 residues pruned to eliminate duplicates Z: 16 6.499 1.763 0.363 0.327 0.733 0.467 CB 1.152 Z: 12 34.615 2.335 1.045 0.925 1.000 0.273 CB 1.533 12 residues pruned to eliminate duplicates Z: 17 18.133 1.714 0.623 0.785 1.000 0.500 CB 1.268 17 residues pruned to eliminate duplicates Z: 12 27.635 2.158 0.905 0.932 1.000 0.909 CB 1.415 12 residues pruned to eliminate duplicates Z: 11 10.905 1.619 0.488 0.885 1.000 0.900 CA 1.034 11 residues pruned to eliminate duplicates Z: 16 17.311 1.850 0.329 0.868 1.000 0.600 CA 1.328 16 residues pruned to eliminate duplicates Z: 27 17.351 1.979 0.427 0.538 0.923 0.615 CB 1.258 27 residues pruned to eliminate duplicates Z: 13 13.893 1.986 0.512 0.794 0.917 0.667 CB 1.126 Z: 32 18.877 1.696 0.633 0.696 0.935 0.581 CB 1.094 32 residues pruned to eliminate duplicates Z: 12 11.279 1.772 0.435 0.661 0.909 0.636 CA 1.267 12 residues pruned to eliminate duplicates Z: 17 17.441 1.951 0.796 0.709 0.812 0.750 CA 1.267 17 residues pruned to eliminate duplicates Z: 52 27.579 1.862 0.593 0.605 0.922 0.627 CB 1.278 52 residues pruned to eliminate duplicates Z: 11 4.947 1.581 0.050 0.413 0.900 0.500 C 1.146 Z: 8 5.576 1.445 0.490 0.353 1.000 0.571 CB 1.148 7 residues pruned to eliminate duplicates Z: 40 31.439 2.044 0.592 0.706 0.923 0.667 CB 1.389 40 residues pruned to eliminate duplicates Z: 14 16.891 1.818 0.457 0.869 0.923 0.615 CB 1.400 17 residues pruned to eliminate duplicates Z: 18 21.875 1.940 0.576 0.861 0.882 0.765 CB 1.445 18 residues pruned to eliminate duplicates Z: 19 26.216 2.102 0.762 0.660 0.889 0.611 CA 1.617 19 residues pruned to eliminate duplicates Z: 10 9.179 1.676 0.334 0.828 1.000 0.889 CA 1.031 10 residues pruned to eliminate duplicates Z: 9 8.804 1.704 0.251 0.799 1.000 0.750 CB 1.124 9 residues pruned to eliminate duplicates Z: 10 8.032 1.733 0.842 0.593 0.778 0.556 CB 0.986 12 residues pruned to eliminate duplicates Z: 20 22.777 2.022 0.430 0.918 0.895 0.789 CA 1.425 20 residues pruned to eliminate duplicates Z: 12 10.866 1.557 0.765 0.883 1.000 0.636 CA 0.862 11 residues pruned to eliminate duplicates Z: 9 13.148 1.867 0.530 0.819 1.000 0.875 CA 1.233 9 residues pruned to eliminate duplicates Z: 17 18.560 1.960 0.777 0.685 0.938 0.500 CA 1.199 17 residues pruned to eliminate duplicates Z: 22 28.301 2.114 0.687 0.626 0.952 0.667 CA 1.614 22 residues pruned to eliminate duplicates Z: 27 16.196 1.796 0.609 0.492 0.923 0.577 CB 1.200 27 residues pruned to eliminate duplicates Z: 13 18.560 2.111 0.409 0.899 1.000 0.833 CB 1.288 13 residues pruned to eliminate duplicates Z: 10 8.525 1.901 0.369 0.500 0.889 0.667 CA 1.228 10 residues pruned to eliminate duplicates Z: 14 24.580 2.051 1.304 0.944 1.000 0.769 CB 0.999 14 residues pruned to eliminate duplicates Z: 6 4.375 1.765 0.451 0.250 0.800 0.600 CB 1.272 Z: 12 13.321 2.047 0.590 0.923 1.000 0.818 CB 0.867 12 residues pruned to eliminate duplicates Z: 6 5.571 1.659 0.406 0.789 1.000 0.600 CB 0.829 Z: 18 26.843 2.059 0.592 0.891 1.000 0.765 CA 1.429 18 residues pruned to eliminate duplicates Z: 27 12.460 1.994 0.233 0.397 0.846 0.462 CB 1.310 10 residues pruned to eliminate duplicates Z: 13 15.881 2.057 0.743 0.923 1.000 0.583 CB 0.899 13 residues pruned to eliminate duplicates Z: 25 13.331 2.093 0.233 0.483 0.792 0.458 CB 1.354 25 residues pruned to eliminate duplicates Z: 10 10.716 1.746 0.601 0.890 0.889 0.778 CA 1.034 10 residues pruned to eliminate duplicates Z: 17 20.511 1.860 0.936 0.892 0.938 0.500 CB 1.091 13 residues pruned to eliminate duplicates Z: 6 6.684 1.785 0.533 0.599 0.800 0.800 CB 1.243 7 residues pruned to eliminate duplicates Z: 14 9.976 1.685 0.428 0.472 0.923 0.615 CB 1.282 14 residues pruned to eliminate duplicates Z: 14 5.383 1.643 0.274 0.540 0.846 0.692 CB 0.811 14 residues pruned to eliminate duplicates Z: 17 13.864 1.761 0.280 0.807 1.000 0.812 CA 1.176 17 residues pruned to eliminate duplicates Z: 15 7.429 1.902 0.064 0.463 0.786 0.643 CA 1.296 15 residues pruned to eliminate duplicates Z: 26 13.960 1.766 0.644 0.478 0.760 0.520 CA 1.294 26 residues pruned to eliminate duplicates Z: 8 7.418 1.782 0.509 0.853 0.857 0.857 CB 0.899 8 residues pruned to eliminate duplicates Z: 28 23.052 1.974 0.775 0.519 0.926 0.593 CA 1.343 28 residues pruned to eliminate duplicates Z: 87 48.700 2.134 0.768 0.622 0.895 0.581 CB 1.386 143 residues pruned to eliminate duplicates Z: 14 24.641 1.894 1.214 0.921 0.923 0.462 CB 1.242 Z: 12 3.627 1.548 0.037 0.463 0.818 0.364 CB 0.865 12 residues pruned to eliminate duplicates Z: 9 7.056 1.458 0.324 0.859 1.000 0.750 CB 0.950 Z: 19 26.876 2.082 0.497 0.896 1.000 0.778 CA 1.456 19 residues pruned to eliminate duplicates Z: 16 11.474 1.771 0.163 0.820 0.867 0.533 CA 1.258 16 residues pruned to eliminate duplicates Z: 8 5.678 1.721 0.579 0.443 0.857 0.571 CB 0.978 Z: 7 9.114 1.761 0.330 0.688 1.000 0.833 CA 1.338 7 residues pruned to eliminate duplicates Z: 8 8.619 2.091 0.178 0.626 0.857 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 14 10.624 2.032 0.238 0.409 1.000 0.538 CA 1.288 14 residues pruned to eliminate duplicates Z: 8 4.459 1.642 0.072 0.459 1.000 0.714 CB 0.999 Z: 22 14.133 1.759 0.385 0.638 0.857 0.571 CB 1.298 22 residues pruned to eliminate duplicates Z: 18 26.787 1.993 0.820 0.893 0.882 0.706 CB 1.458 18 residues pruned to eliminate duplicates Z: 109 41.365 2.036 0.601 0.471 0.935 0.574 CB 1.345 109 residues pruned to eliminate duplicates Z: 19 18.302 1.686 0.549 0.851 1.000 0.722 CA 1.223 19 residues pruned to eliminate duplicates Z: 9 2.948 1.628 -0.203 0.469 0.875 0.500 CB 0.947 Z: 22 14.194 1.727 0.673 0.493 0.810 0.524 CB 1.334 6 residues pruned to eliminate duplicates Z: 38 21.381 1.953 0.474 0.477 0.892 0.622 CA 1.401 31 residues pruned to eliminate duplicates Z: 34 23.664 2.004 0.672 0.541 0.848 0.515 CB 1.392 34 residues pruned to eliminate duplicates Z: 15 27.813 2.158 0.885 0.890 1.000 0.786 CB 1.315 15 residues pruned to eliminate duplicates Z: 71 47.537 2.152 0.736 0.598 0.957 0.614 CA 1.447 85 residues pruned to eliminate duplicates Z: 20 11.257 1.944 0.345 0.453 0.842 0.632 CB 1.231 20 residues pruned to eliminate duplicates Z: 8 8.494 1.585 0.348 0.802 1.000 0.571 CA 1.153 8 residues pruned to eliminate duplicates Z: 8 12.317 1.834 0.554 0.875 1.000 0.857 CB 1.187 8 residues pruned to eliminate duplicates Z: 11 22.364 1.987 1.001 0.908 1.000 0.800 CA 1.263 7 residues pruned to eliminate duplicates Z: 12 27.036 2.123 0.870 0.938 1.000 0.364 CB 1.427 12 residues pruned to eliminate duplicates Z: 6 2.491 1.542 -0.003 0.665 0.800 0.600 CB 0.778 Z: 50 26.560 1.956 0.671 0.467 0.857 0.571 CB 1.401 58 residues pruned to eliminate duplicates Z: 10 6.869 1.788 0.357 0.604 0.778 0.667 CB 1.099 Z: 19 12.666 1.918 0.507 0.387 0.833 0.556 CB 1.398 68 residues pruned to eliminate duplicates Z: 18 10.690 1.875 0.450 0.510 0.824 0.647 CB 1.147 16 residues pruned to eliminate duplicates Z: 16 15.467 1.829 0.220 0.872 1.000 0.800 CB 1.304 16 residues pruned to eliminate duplicates Z: 56 31.851 2.066 0.501 0.565 0.873 0.618 CA 1.491 56 residues pruned to eliminate duplicates Z: 10 16.548 2.196 0.347 0.689 1.000 0.889 CA 1.569 10 residues pruned to eliminate duplicates Z: 17 15.873 1.811 0.357 0.855 0.938 0.750 CA 1.272 17 residues pruned to eliminate duplicates Z: 23 15.003 1.866 0.469 0.489 0.864 0.545 CA 1.366 23 residues pruned to eliminate duplicates Z: 18 15.831 1.857 0.526 0.919 1.000 0.941 CA 0.954 18 residues pruned to eliminate duplicates Z: 25 14.861 1.846 0.656 0.435 0.750 0.583 CB 1.415 25 residues pruned to eliminate duplicates Z: 8 2.422 1.293 0.731 0.335 0.714 0.714 CB 0.686 Z: 6 9.252 1.825 0.317 0.839 1.000 0.600 CA 1.286 6 residues pruned to eliminate duplicates Z: 16 16.544 1.714 0.397 0.873 1.000 0.867 CB 1.300 18 residues pruned to eliminate duplicates Z: 15 8.885 1.461 0.539 0.530 0.857 0.571 CB 1.196 Z: 6 2.755 1.744 0.083 0.432 0.800 0.400 N 0.875 Z: 30 16.531 1.994 0.357 0.561 0.828 0.586 CB 1.292 30 residues pruned to eliminate duplicates Z: 12 20.781 1.840 1.039 0.880 1.000 0.818 CA 1.210 11 residues pruned to eliminate duplicates Z: 13 10.839 1.672 0.795 0.612 0.750 0.667 C 1.251 13 residues pruned to eliminate duplicates Z: 24 35.585 2.258 1.020 0.690 0.957 0.739 CB 1.430 24 residues pruned to eliminate duplicates Z: 16 11.928 1.776 0.084 0.809 1.000 0.667 CB 1.222 16 residues pruned to eliminate duplicates Z: 85 25.996 1.800 0.558 0.432 0.857 0.512 CB 1.265 85 residues pruned to eliminate duplicates Z: 17 16.170 1.802 0.644 0.853 0.875 0.750 CB 1.153 17 residues pruned to eliminate duplicates Z: 7 4.323 1.591 0.067 0.407 0.833 0.500 C 1.374 7 residues pruned to eliminate duplicates Z: 16 16.730 1.779 0.626 0.936 0.933 0.533 CB 1.115 16 residues pruned to eliminate duplicates Z: 12 12.089 1.753 0.432 0.832 1.000 0.636 CB 1.090 Z: 12 6.490 1.470 0.607 0.374 0.909 0.545 CB 1.043 Z: 19 25.734 1.988 0.615 0.904 1.000 0.778 CA 1.346 19 residues pruned to eliminate duplicates Z: 6 2.427 1.768 0.434 0.299 0.600 0.400 CB 0.893 Z: 7 3.683 1.564 0.637 0.401 0.833 0.500 CB 0.782 Z: 19 24.065 2.010 0.660 0.901 0.833 0.500 CB 1.456 19 residues pruned to eliminate duplicates 6 1.149 1.299 0.163 0.295 0.600 0.600 N 0.713 ? Z: 9 7.077 1.478 0.505 0.898 1.000 0.750 CB 0.804 9 residues pruned to eliminate duplicates Z: 15 8.110 1.785 0.416 0.409 0.786 0.429 CB 1.201 Z: 17 17.527 1.815 0.437 0.864 1.000 0.750 CB 1.232 17 residues pruned to eliminate duplicates Z: 36 22.311 2.011 0.474 0.662 0.886 0.629 CB 1.236 48 residues pruned to eliminate duplicates Z: 28 18.706 1.749 0.693 0.513 0.926 0.630 CA 1.296 28 residues pruned to eliminate duplicates Z: 29 22.580 2.087 0.665 0.459 0.857 0.679 CB 1.494 53 residues pruned to eliminate duplicates Z: 12 8.198 1.687 0.356 0.482 0.909 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 8 9.643 1.781 0.356 0.906 1.000 0.714 CB 1.074 8 residues pruned to eliminate duplicates Z: 17 18.156 1.845 0.409 0.880 1.000 0.812 CB 1.266 17 residues pruned to eliminate duplicates Z: 9 4.756 1.506 0.209 0.521 0.875 0.625 CB 1.033 Z: 12 9.053 1.725 0.269 0.628 0.909 0.636 CA 1.215 12 residues pruned to eliminate duplicates Z: 14 9.027 1.773 0.414 0.531 0.846 0.462 CB 1.145 9 residues pruned to eliminate duplicates Z: 27 14.328 1.797 0.444 0.439 0.923 0.500 CB 1.250 42 residues pruned to eliminate duplicates Z: 38 21.398 2.033 0.446 0.413 0.892 0.541 CB 1.471 38 residues pruned to eliminate duplicates Z: 9 6.024 1.705 0.186 0.613 0.875 0.500 CB 1.083 9 residues pruned to eliminate duplicates Z: 62 30.063 1.817 0.649 0.588 0.934 0.623 CB 1.264 62 residues pruned to eliminate duplicates Z: 20 29.236 2.157 0.727 0.825 0.895 0.579 CB 1.518 20 residues pruned to eliminate duplicates Z: 38 20.833 1.765 0.473 0.619 0.973 0.514 CB 1.210 38 residues pruned to eliminate duplicates Z: 16 13.115 1.826 0.219 0.854 0.933 0.667 CB 1.204 16 residues pruned to eliminate duplicates Z: 13 6.472 1.617 0.437 0.536 0.917 0.583 CA 0.847 12 residues pruned to eliminate duplicates Z: 7 3.674 1.637 0.850 0.734 0.833 0.833 CB 0.482 7 residues pruned to eliminate duplicates Z: 20 42.595 2.167 1.137 0.936 0.947 0.316 CA 1.551 20 residues pruned to eliminate duplicates Z: 22 10.888 1.849 0.108 0.371 0.952 0.381 CB 1.399 22 residues pruned to eliminate duplicates Z: 18 22.277 2.002 0.670 0.860 1.000 0.824 CA 1.189 18 residues pruned to eliminate duplicates Z: 7 4.690 1.632 0.362 0.365 1.000 0.500 CB 0.996 Z: 10 14.066 2.071 0.482 0.622 1.000 0.667 CB 1.362 10 residues pruned to eliminate duplicates Z: 16 9.805 1.613 0.162 0.825 1.000 1.000 CB 1.019 14 residues pruned to eliminate duplicates Z: 15 12.218 1.633 0.324 0.821 1.000 0.786 CA 1.143 15 residues pruned to eliminate duplicates Z: 67 31.398 2.111 0.586 0.488 0.894 0.591 CB 1.307 67 residues pruned to eliminate duplicates Z: 15 20.783 1.911 0.617 0.931 1.000 0.929 CA 1.256 Z: 10 5.346 1.641 0.205 0.668 0.667 0.444 CA 1.157 10 residues pruned to eliminate duplicates Z: 6 2.657 1.314 0.273 0.300 0.800 0.400 O 1.111 Z: 7 4.999 1.718 -0.052 0.678 1.000 0.667 CB 1.064 Z: 13 7.844 1.566 0.890 0.832 0.833 0.250 CB 0.689 13 residues pruned to eliminate duplicates Z: 9 11.500 1.859 0.188 0.868 1.000 0.875 CA 1.346 9 residues pruned to eliminate duplicates Z: 15 14.567 1.943 0.540 0.945 1.000 0.786 CB 0.900 15 residues pruned to eliminate duplicates Z: 10 12.978 1.762 0.848 0.543 1.000 0.556 CB 1.274 10 residues pruned to eliminate duplicates Z: 45 25.959 1.984 0.711 0.487 0.795 0.523 CA 1.468 45 residues pruned to eliminate duplicates Z: 36 21.998 1.802 0.650 0.530 0.914 0.429 CB 1.328 36 residues pruned to eliminate duplicates Z: 15 13.915 1.882 0.329 0.901 0.929 0.714 CB 1.143 15 residues pruned to eliminate duplicates Z: 72 29.227 1.956 0.487 0.467 0.873 0.437 CB 1.412 72 residues pruned to eliminate duplicates Z: 10 10.642 1.775 0.185 0.844 1.000 0.889 CA 1.255 10 residues pruned to eliminate duplicates Z: 17 8.620 1.626 0.587 0.362 0.875 0.562 CB 1.107 15 residues pruned to eliminate duplicates Z: 10 8.376 1.746 0.576 0.877 0.889 0.778 CB 0.829 10 residues pruned to eliminate duplicates Z: 54 26.377 2.016 0.453 0.456 0.887 0.585 CA 1.459 54 residues pruned to eliminate duplicates Z: 15 24.389 1.892 0.943 0.932 1.000 0.500 CB 1.239 15 residues pruned to eliminate duplicates Z: 8 3.262 1.395 0.390 0.294 0.857 0.429 CB 0.934 Z: 7 8.445 1.632 0.229 0.837 1.000 0.667 CB 1.285 7 residues pruned to eliminate duplicates Z: 12 6.483 1.532 0.354 0.490 0.909 0.455 CB 1.046 15 residues pruned to eliminate duplicates Z: 7 2.646 1.421 0.379 0.384 0.833 0.500 CB 0.748 Z: 13 6.042 1.818 0.284 0.290 0.917 0.583 CA 1.032 Z: 10 10.388 1.864 0.812 0.273 0.889 0.444 CA 1.492 10 residues pruned to eliminate duplicates Z: 12 15.858 2.000 0.537 0.857 0.909 0.455 CB 1.261 12 residues pruned to eliminate duplicates Z: 47 31.610 2.119 0.747 0.586 0.848 0.522 CB 1.367 47 residues pruned to eliminate duplicates Z: 13 14.472 1.704 0.752 0.918 1.000 0.750 CA 0.987 13 residues pruned to eliminate duplicates Z: 8 3.878 1.644 0.318 0.532 0.857 0.857 CB 0.765 Z: 8 9.692 1.720 0.920 0.885 1.000 1.000 CB 0.801 9 residues pruned to eliminate duplicates Z: 7 5.286 1.457 0.566 0.869 1.000 1.000 CB 0.691 7 residues pruned to eliminate duplicates Z: 7 4.578 1.547 0.312 0.758 1.000 0.833 CB 0.731 7 residues pruned to eliminate duplicates Z: 8 4.661 1.646 0.339 0.317 0.857 0.571 CA 1.141 Z: 16 18.063 1.832 0.623 0.852 0.933 0.600 CA 1.243 16 residues pruned to eliminate duplicates Z: 17 10.561 1.907 0.166 0.396 1.000 0.438 CA 1.325 30 residues pruned to eliminate duplicates Z: 28 24.309 1.949 0.615 0.726 0.889 0.667 CB 1.364 28 residues pruned to eliminate duplicates Z: 60 42.578 2.103 0.909 0.658 0.814 0.508 CA 1.465 60 residues pruned to eliminate duplicates Z: 9 4.303 1.731 0.514 0.412 0.750 0.625 CB 0.849 9 residues pruned to eliminate duplicates Z: 6 3.859 1.420 0.373 0.425 0.800 0.400 CB 1.195 Z: 16 16.068 1.740 0.821 0.894 0.933 0.333 CB 1.006 16 residues pruned to eliminate duplicates Z: 7 4.179 1.662 -0.202 0.686 1.000 0.667 CB 1.084 Z: 35 15.146 1.969 0.353 0.389 0.794 0.529 CB 1.381 35 residues pruned to eliminate duplicates Z: 15 20.647 2.031 0.790 0.948 1.000 1.000 CB 1.048 15 residues pruned to eliminate duplicates Z: 8 6.150 1.819 0.594 0.461 0.857 0.571 CB 0.973 8 residues pruned to eliminate duplicates Z: 14 12.778 1.951 0.563 0.591 0.923 0.692 CB 1.154 Z: 16 17.919 1.770 0.688 0.940 1.000 0.333 CB 1.075 16 residues pruned to eliminate duplicates Z: 7 3.848 1.707 0.289 0.490 0.667 0.667 CA 1.081 6 residues pruned to eliminate duplicates Z: 6 5.466 1.856 0.547 0.602 0.800 0.600 N 0.966 Z: 16 32.338 2.206 0.860 0.915 0.933 0.467 CB 1.541 16 residues pruned to eliminate duplicates Z: 20 28.444 2.008 0.865 0.868 0.895 0.579 CB 1.424 20 residues pruned to eliminate duplicates Z: 18 10.061 1.773 0.387 0.497 0.824 0.471 CB 1.209 18 residues pruned to eliminate duplicates Z: 9 4.114 1.580 0.517 0.391 0.625 0.375 N 1.089 Z: 29 10.761 1.739 0.406 0.378 0.821 0.500 CB 1.154 29 residues pruned to eliminate duplicates Z: 14 15.929 1.585 0.918 0.842 1.000 0.308 CB 1.083 14 residues pruned to eliminate duplicates Z: 7 7.019 1.662 0.005 0.895 1.000 1.000 CA 1.230 7 residues pruned to eliminate duplicates Z: 17 15.020 1.729 0.419 0.890 1.000 0.688 CB 1.101 16 residues pruned to eliminate duplicates Z: 57 40.048 2.083 0.820 0.587 0.946 0.518 CB 1.372 57 residues pruned to eliminate duplicates Z: 18 15.394 1.731 0.417 0.847 0.941 0.647 CA 1.201 18 residues pruned to eliminate duplicates Z: 6 6.828 1.554 0.480 0.744 1.000 0.600 CB 1.068 Z: 7 2.109 1.237 0.548 0.398 0.667 0.500 N 0.751 Z: 17 16.539 1.701 0.518 0.864 1.000 0.625 CB 1.174 15 residues pruned to eliminate duplicates Z: 18 16.289 1.927 0.297 0.933 1.000 0.882 CA 1.103 18 residues pruned to eliminate duplicates Z: 14 7.491 1.729 0.527 0.363 0.769 0.692 CB 1.186 Z: 14 11.426 1.993 0.474 0.429 0.846 0.769 CB 1.373 23 residues pruned to eliminate duplicates Z: 6 4.635 1.856 0.044 0.823 1.000 0.800 CA 0.809 6 residues pruned to eliminate duplicates Z: 8 7.578 1.646 0.129 0.819 1.000 1.000 CB 1.169 7 residues pruned to eliminate duplicates Z: 12 5.148 1.562 0.696 0.318 0.636 0.636 CB 1.125 14 residues pruned to eliminate duplicates Z: 11 6.525 1.629 0.251 0.882 1.000 0.700 CB 0.732 10 residues pruned to eliminate duplicates Z: 6 2.796 1.338 0.461 0.395 0.800 0.600 N 0.893 Z: 35 20.998 1.964 0.527 0.544 0.912 0.618 CB 1.262 35 residues pruned to eliminate duplicates Z: 42 22.141 1.977 0.639 0.401 0.902 0.561 CB 1.312 48 residues pruned to eliminate duplicates Z: 46 17.696 1.899 0.447 0.450 0.867 0.578 CB 1.166 63 residues pruned to eliminate duplicates Z: 24 20.062 2.129 0.471 0.536 0.913 0.565 CB 1.413 Z: 8 4.239 1.657 0.146 0.602 1.000 1.000 CB 0.766 8 residues pruned to eliminate duplicates Z: 32 21.728 2.106 0.501 0.454 0.935 0.613 CB 1.384 56 residues pruned to eliminate duplicates Z: 8 7.181 1.727 0.760 0.429 0.857 0.571 N 1.122 6 residues pruned to eliminate duplicates Z: 8 2.742 1.518 -0.080 0.483 0.857 0.429 CB 0.881 Z: 10 13.694 1.736 0.828 0.913 1.000 0.778 CA 1.018 12 residues pruned to eliminate duplicates Z: 19 41.226 2.269 0.799 0.926 1.000 0.556 CB 1.670 19 residues pruned to eliminate duplicates Z: 8 3.159 1.319 0.546 0.502 0.571 0.286 CA 1.022 Z: 23 16.993 1.955 0.569 0.442 0.864 0.545 CA 1.453 23 residues pruned to eliminate duplicates Z: 38 25.438 2.018 0.602 0.480 0.919 0.622 CA 1.437 38 residues pruned to eliminate duplicates Z: 9 11.238 1.970 0.356 0.502 1.000 0.750 CB 1.484 Z: 6 2.334 1.508 -0.089 0.378 0.800 0.800 CB 1.083 6 residues pruned to eliminate duplicates Z: 13 12.350 1.892 0.229 0.861 1.000 0.667 CA 1.127 13 residues pruned to eliminate duplicates Z: 7 3.819 1.534 0.295 0.626 1.000 0.667 CB 0.697 Z: 15 6.980 1.788 0.323 0.319 0.714 0.643 CB 1.349 15 residues pruned to eliminate duplicates Z: 8 15.384 1.841 0.956 0.870 1.000 0.571 CA 1.179 8 residues pruned to eliminate duplicates Z: 6 2.026 1.282 0.486 0.505 0.600 0.400 N 0.789 Z: 10 6.602 1.538 0.587 0.479 0.889 0.444 CB 1.036 7 residues pruned to eliminate duplicates Z: 7 4.167 1.843 0.160 0.199 0.833 0.500 CB 1.367 7 residues pruned to eliminate duplicates Z: 33 16.555 1.915 0.465 0.479 0.844 0.594 CB 1.263 33 residues pruned to eliminate duplicates Z: 29 20.902 1.797 0.619 0.702 1.000 0.714 CB 1.129 46 residues pruned to eliminate duplicates Z: 11 5.580 1.509 0.088 0.872 1.000 0.900 CB 0.784 11 residues pruned to eliminate duplicates Z: 42 43.601 2.125 1.046 0.677 0.927 0.390 CB 1.436 42 residues pruned to eliminate duplicates Z: 51 25.783 2.016 0.501 0.471 0.860 0.500 CB 1.442 51 residues pruned to eliminate duplicates Z: 18 18.836 1.678 0.848 0.923 1.000 0.588 CB 1.035 Z: 13 13.077 2.001 0.254 0.928 1.000 0.833 CB 1.053 13 residues pruned to eliminate duplicates Z: 23 10.407 1.580 0.473 0.471 0.818 0.455 CB 1.199 23 residues pruned to eliminate duplicates Z: 7 2.816 1.489 0.312 0.434 0.833 0.500 CB 0.756 Z: 8 4.000 1.427 0.062 0.463 1.000 0.714 C 1.035 Z: 15 17.200 2.089 0.188 0.932 1.000 0.929 CB 1.294 15 residues pruned to eliminate duplicates 8 1.923 1.401 -0.202 0.411 0.857 0.429 CB 0.832 ? Z: 11 11.685 1.799 0.363 0.647 1.000 0.600 CA 1.314 13 residues pruned to eliminate duplicates Z: 8 4.369 1.508 0.482 0.606 0.857 0.857 CB 0.779 8 residues pruned to eliminate duplicates Z: 7 8.489 1.729 0.726 0.576 0.833 0.667 CB 1.296 7 residues pruned to eliminate duplicates Z: 9 4.027 1.404 0.805 0.354 0.875 0.625 CB 0.752 Z: 30 22.396 1.897 0.714 0.800 0.897 0.655 CB 1.098 30 residues pruned to eliminate duplicates Z: 9 4.979 1.630 0.486 0.465 0.875 0.625 CB 0.860 9 residues pruned to eliminate duplicates Z: 9 12.930 1.840 0.661 0.748 0.875 0.875 CB 1.369 9 residues pruned to eliminate duplicates Z: 17 9.980 1.612 0.188 0.890 0.938 0.750 CB 1.000 17 residues pruned to eliminate duplicates Z: 7 7.384 1.695 0.400 0.720 1.000 0.833 CB 1.042 7 residues pruned to eliminate duplicates Z: 19 28.627 2.058 0.551 0.916 1.000 0.778 CA 1.493 19 residues pruned to eliminate duplicates Z: 10 5.186 1.509 -0.114 0.892 1.000 1.000 CB 0.929 10 residues pruned to eliminate duplicates Z: 55 25.249 1.912 0.548 0.498 0.852 0.500 CB 1.365 55 residues pruned to eliminate duplicates Z: 19 8.106 1.698 0.489 0.404 0.722 0.500 CB 1.157 Z: 23 18.190 1.970 0.621 0.576 0.864 0.409 CB 1.307 23 residues pruned to eliminate duplicates Z: 9 3.100 1.503 0.844 0.245 0.625 0.500 CB 0.850 Z: 82 31.247 1.902 0.443 0.496 0.889 0.506 CB 1.430 90 residues pruned to eliminate duplicates Z: 21 21.483 1.929 0.388 0.903 1.000 0.800 CA 1.278 21 residues pruned to eliminate duplicates Z: 18 15.268 1.672 0.441 0.881 1.000 0.647 CB 1.113 18 residues pruned to eliminate duplicates Z: 10 2.935 1.553 0.479 0.174 0.667 0.444 CB 0.948 10 residues pruned to eliminate duplicates Z: 14 10.138 2.077 0.244 0.376 0.923 0.308 CB 1.345 8 residues pruned to eliminate duplicates Z: 9 4.560 1.539 0.370 0.524 0.750 0.625 CB 0.996 9 residues pruned to eliminate duplicates Z: 19 16.803 1.824 0.662 0.659 0.833 0.556 CA 1.353 19 residues pruned to eliminate duplicates Z: 6 3.192 1.605 0.161 0.383 0.800 0.400 N 1.085 Z: 20 16.493 1.748 0.451 0.776 0.947 0.789 CB 1.234 20 residues pruned to eliminate duplicates Z: 6 5.114 1.589 0.450 0.631 1.000 1.000 CB 0.877 10 residues pruned to eliminate duplicates Z: 8 6.880 1.619 0.753 0.604 0.714 0.429 CB 1.162 Z: 6 2.931 1.558 0.012 0.498 0.800 0.400 CB 1.041 Z: 8 8.654 1.804 0.322 0.803 1.000 0.571 CA 1.052 8 residues pruned to eliminate duplicates Z: 8 3.579 1.473 0.465 0.522 1.000 0.714 CB 0.614 Z: 18 15.648 1.747 0.428 0.862 0.941 0.647 CB 1.186 18 residues pruned to eliminate duplicates Z: 17 14.436 1.898 0.502 0.567 0.938 0.688 CB 1.266 Z: 6 2.458 1.286 0.634 0.220 0.800 0.400 N 0.908 Z: 36 20.425 1.888 0.446 0.543 0.914 0.571 CB 1.327 36 residues pruned to eliminate duplicates Z: 10 13.602 1.755 0.773 0.894 1.000 0.889 CA 1.045 10 residues pruned to eliminate duplicates Z: 9 3.060 1.403 -0.048 0.563 0.875 0.250 CB 0.870 Z: 28 15.872 1.731 0.711 0.705 0.889 0.667 CB 0.963 46 residues pruned to eliminate duplicates Z: 8 16.787 1.792 0.758 0.829 1.000 0.571 C 1.516 8 residues pruned to eliminate duplicates Z: 9 3.348 1.462 0.135 0.321 0.750 0.500 N 1.159 9 residues pruned to eliminate duplicates Z: 11 15.311 1.871 0.672 0.894 1.000 1.000 CA 1.110 11 residues pruned to eliminate duplicates Z: 7 5.660 2.010 0.298 0.599 0.833 0.667 CB 0.967 7 residues pruned to eliminate duplicates Z: 31 16.584 1.814 0.488 0.436 0.900 0.600 CB 1.331 31 residues pruned to eliminate duplicates Z: 11 8.684 1.680 0.443 0.492 0.900 0.600 CB 1.270 11 residues pruned to eliminate duplicates Z: 12 12.177 1.718 0.416 0.842 1.000 0.909 CA 1.124 12 residues pruned to eliminate duplicates Z: 14 7.062 1.628 0.493 0.302 0.769 0.462 CA 1.307 Z: 15 16.762 1.972 0.902 0.912 0.857 0.857 CB 0.987 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 4.620 2.043 0.610 0.481 0.571 0.571 CB 0.947 Z: 6 6.191 1.679 0.569 0.366 1.000 0.600 CB 1.214 8 residues pruned to eliminate duplicates Z: 18 8.861 1.530 0.233 0.644 0.882 0.588 CB 1.128 24 residues pruned to eliminate duplicates Z: 8 9.499 1.912 0.527 0.628 0.857 0.714 CB 1.272 Z: 16 18.809 1.894 0.745 0.945 1.000 1.000 CB 1.017 16 residues pruned to eliminate duplicates Z: 18 16.687 1.937 0.645 0.774 0.941 0.706 CB 1.059 18 residues pruned to eliminate duplicates Z: 16 18.568 2.003 0.803 0.871 0.933 0.800 CB 1.037 16 residues pruned to eliminate duplicates Z: 15 20.854 2.039 0.852 0.938 1.000 0.571 CB 1.026 15 residues pruned to eliminate duplicates Z: 15 17.920 1.997 0.994 0.885 1.000 0.500 CB 0.869 15 residues pruned to eliminate duplicates Z: 15 18.834 2.032 0.845 0.924 1.000 0.571 CB 0.943 15 residues pruned to eliminate duplicates Z: 15 20.385 2.037 0.951 0.933 1.000 0.500 CB 0.957 23 residues pruned to eliminate duplicates Z: 17 16.847 1.949 0.982 0.814 0.938 0.688 CB 0.885 17 residues pruned to eliminate duplicates Z: 48 31.259 1.969 0.653 0.694 0.894 0.681 CB 1.312 46 residues pruned to eliminate duplicates Z: 15 23.264 2.018 1.158 0.946 1.000 0.929 CB 0.987 15 residues pruned to eliminate duplicates Z: 17 22.969 1.967 0.962 0.888 1.000 0.688 CB 1.072 15 residues pruned to eliminate duplicates Z: 22 22.443 1.940 0.577 0.805 0.952 0.619 CA 1.288 22 residues pruned to eliminate duplicates Z: 29 22.326 2.013 0.353 0.630 0.929 0.607 CB 1.476 29 residues pruned to eliminate duplicates Z: 29 22.670 2.060 0.461 0.650 0.821 0.679 CB 1.507 29 residues pruned to eliminate duplicates Z: 28 25.676 2.034 0.535 0.628 0.926 0.630 CA 1.515 28 residues pruned to eliminate duplicates Z: 30 26.497 2.044 0.497 0.661 0.897 0.621 CA 1.544 30 residues pruned to eliminate duplicates Z: 24 29.454 2.071 0.653 0.766 0.913 0.652 CA 1.552 24 residues pruned to eliminate duplicates Z: 34 25.636 2.016 0.586 0.591 0.879 0.485 CA 1.456 34 residues pruned to eliminate duplicates Z: 26 27.015 2.134 0.399 0.691 0.960 0.640 CA 1.583 26 residues pruned to eliminate duplicates Z: 26 24.180 2.130 0.350 0.676 0.880 0.560 CA 1.625 26 residues pruned to eliminate duplicates Z: 28 19.823 2.036 0.325 0.641 0.889 0.704 CA 1.395 28 residues pruned to eliminate duplicates Z: 29 23.489 2.004 0.493 0.625 0.893 0.607 CB 1.478 29 residues pruned to eliminate duplicates Z: 28 25.344 2.058 0.488 0.640 0.926 0.667 CB 1.509 28 residues pruned to eliminate duplicates Z: 27 26.095 2.055 0.558 0.676 0.885 0.654 CB 1.537 27 residues pruned to eliminate duplicates Z: 23 28.078 2.146 0.556 0.724 0.909 0.500 CA 1.611 23 residues pruned to eliminate duplicates Z: 24 27.087 2.068 0.529 0.742 0.913 0.696 CB 1.575 24 residues pruned to eliminate duplicates Z: 27 28.039 2.122 0.517 0.680 0.923 0.692 CA 1.568 27 residues pruned to eliminate duplicates Z: 24 32.017 2.103 0.593 0.799 0.957 0.652 CB 1.604 24 residues pruned to eliminate duplicates Z: 25 29.259 2.178 0.512 0.737 0.917 0.750 CA 1.600 25 residues pruned to eliminate duplicates Z: 28 25.316 2.051 0.604 0.647 0.852 0.593 CA 1.515 28 residues pruned to eliminate duplicates Z: 26 27.252 2.131 0.598 0.672 0.880 0.520 CA 1.552 26 residues pruned to eliminate duplicates Z: 27 25.312 2.081 0.530 0.678 0.923 0.769 CA 1.434 27 residues pruned to eliminate duplicates Z: 11 4.290 1.742 0.172 0.195 0.800 0.500 CB 1.195 11 residues pruned to eliminate duplicates Z: 35 27.860 2.011 0.538 0.627 0.941 0.559 CA 1.457 35 residues pruned to eliminate duplicates Z: 6 3.990 1.873 -0.176 0.312 1.000 0.600 CB 1.425 6 residues pruned to eliminate duplicates Z: 41 27.211 1.949 0.600 0.564 0.900 0.575 CA 1.440 41 residues pruned to eliminate duplicates Z: 26 25.618 2.129 0.416 0.693 0.920 0.760 CA 1.548 26 residues pruned to eliminate duplicates Z: 8 7.187 1.736 0.659 0.398 0.857 0.429 CB 1.225 8 residues pruned to eliminate duplicates Z: 81 43.759 2.068 0.604 0.620 0.875 0.538 CA 1.505 81 residues pruned to eliminate duplicates Z: 8 6.819 1.700 0.566 0.410 0.857 0.429 CA 1.241 Z: 6 5.008 1.590 0.780 0.583 0.600 0.400 CA 1.219 14 residues pruned to eliminate duplicates Z: 39 41.747 2.216 0.850 0.619 0.921 0.632 CA 1.603 39 residues pruned to eliminate duplicates Z: 66 46.077 2.163 0.645 0.599 0.923 0.631 CA 1.583 66 residues pruned to eliminate duplicates Z: 43 31.586 2.146 0.628 0.523 0.881 0.595 CA 1.547 43 residues pruned to eliminate duplicates Z: 40 32.948 2.196 0.752 0.522 0.846 0.564 CA 1.585 40 residues pruned to eliminate duplicates Z: 70 38.254 2.101 0.595 0.543 0.855 0.609 CB 1.541 70 residues pruned to eliminate duplicates Z: 30 28.629 2.160 0.634 0.594 0.931 0.586 CA 1.479 30 residues pruned to eliminate duplicates Z: 54 35.414 2.161 0.484 0.573 0.943 0.566 CA 1.498 54 residues pruned to eliminate duplicates Z: 40 31.192 2.160 0.748 0.532 0.821 0.615 CA 1.562 40 residues pruned to eliminate duplicates Z: 71 36.224 1.980 0.707 0.591 0.829 0.329 CB 1.417 71 residues pruned to eliminate duplicates Z: 31 28.999 2.154 0.702 0.556 0.900 0.600 CB 1.519 31 residues pruned to eliminate duplicates Z: 29 30.094 2.202 0.636 0.599 0.929 0.679 CA 1.547 29 residues pruned to eliminate duplicates Z: 73 42.071 2.100 0.634 0.561 0.917 0.583 CA 1.485 73 residues pruned to eliminate duplicates Z: 57 38.504 2.123 0.653 0.562 0.893 0.607 CA 1.546 57 residues pruned to eliminate duplicates Z: 63 34.638 2.056 0.662 0.533 0.887 0.565 CB 1.405 63 residues pruned to eliminate duplicates Z: 39 39.083 2.167 0.880 0.613 0.921 0.500 CA 1.519 39 residues pruned to eliminate duplicates Z: 39 33.830 2.157 0.669 0.672 0.895 0.579 CA 1.453 39 residues pruned to eliminate duplicates Z: 53 30.893 2.122 0.610 0.493 0.846 0.462 CA 1.493 53 residues pruned to eliminate duplicates Z: 42 32.128 2.137 0.607 0.651 0.878 0.561 CB 1.446 42 residues pruned to eliminate duplicates Z: 43 35.732 2.125 0.756 0.555 0.929 0.524 CA 1.509 43 residues pruned to eliminate duplicates Z: 39 32.696 2.153 0.646 0.623 0.868 0.579 CA 1.535 39 residues pruned to eliminate duplicates Z: 43 35.058 2.168 0.689 0.536 0.881 0.476 CB 1.618 43 residues pruned to eliminate duplicates Z: 60 37.178 2.111 0.702 0.547 0.898 0.542 CB 1.432 60 residues pruned to eliminate duplicates Z: 59 36.335 2.092 0.576 0.569 0.931 0.517 CA 1.455 59 residues pruned to eliminate duplicates Z: 66 45.999 2.142 0.709 0.592 0.938 0.508 CA 1.521 66 residues pruned to eliminate duplicates Z: 44 32.273 2.084 0.540 0.609 0.953 0.419 CB 1.450 44 residues pruned to eliminate duplicates Z: 65 43.511 2.148 0.701 0.589 0.859 0.562 CA 1.591 65 residues pruned to eliminate duplicates Z: 27 26.311 2.116 0.630 0.646 0.885 0.654 CA 1.476 27 residues pruned to eliminate duplicates Z: 37 32.105 2.141 0.553 0.654 0.917 0.639 CB 1.522 37 residues pruned to eliminate duplicates Z: 65 38.387 2.118 0.641 0.560 0.875 0.516 CA 1.488 65 residues pruned to eliminate duplicates Z: 27 24.472 2.107 0.598 0.622 0.885 0.462 CA 1.437 27 residues pruned to eliminate duplicates Z: 64 46.374 2.142 0.755 0.582 0.937 0.587 CB 1.535 64 residues pruned to eliminate duplicates Z: 40 36.585 2.121 0.769 0.652 0.923 0.564 CB 1.468 40 residues pruned to eliminate duplicates Z: 26 25.234 2.092 0.640 0.662 0.880 0.680 CA 1.439 26 residues pruned to eliminate duplicates Z: 33 24.127 2.036 0.540 0.557 0.938 0.562 CB 1.372 33 residues pruned to eliminate duplicates Z: 40 39.027 2.176 0.798 0.685 0.872 0.590 CA 1.547 40 residues pruned to eliminate duplicates Z: 28 27.520 2.103 0.757 0.636 0.889 0.630 CB 1.419 28 residues pruned to eliminate duplicates Z: 61 32.429 2.077 0.674 0.560 0.833 0.583 CB 1.363 61 residues pruned to eliminate duplicates Z: 19 18.353 2.056 0.724 0.633 0.833 0.444 CB 1.292 19 residues pruned to eliminate duplicates Z: 71 36.179 2.018 0.702 0.539 0.871 0.429 CB 1.391 71 residues pruned to eliminate duplicates Z: 34 23.995 2.004 0.703 0.577 0.909 0.424 CB 1.250 34 residues pruned to eliminate duplicates Z: 27 16.957 1.950 0.675 0.581 0.885 0.385 CB 1.065 27 residues pruned to eliminate duplicates Z: 28 27.045 2.111 0.708 0.600 0.889 0.481 CA 1.477 28 residues pruned to eliminate duplicates Z: 26 15.274 1.928 0.509 0.546 0.880 0.400 CB 1.140 26 residues pruned to eliminate duplicates Z: 41 32.476 2.079 0.815 0.611 0.900 0.425 CB 1.361 41 residues pruned to eliminate duplicates Z: 40 35.666 2.126 0.821 0.643 0.897 0.436 CB 1.439 40 residues pruned to eliminate duplicates Z: 30 22.757 2.054 0.607 0.578 0.897 0.517 CB 1.325 30 residues pruned to eliminate duplicates Z: 31 23.659 2.055 0.763 0.581 0.833 0.333 CB 1.324 31 residues pruned to eliminate duplicates Z: 15 26.605 1.997 1.171 0.794 0.929 0.286 CB 1.365 15 residues pruned to eliminate duplicates Z: 75 45.493 2.063 0.753 0.592 0.905 0.581 CB 1.479 75 residues pruned to eliminate duplicates Z: 20 13.264 1.985 0.468 0.450 0.842 0.526 CA 1.306 21 residues pruned to eliminate duplicates Z: 6 4.630 1.723 0.301 0.374 1.000 0.800 CA 1.057 6 residues pruned to eliminate duplicates Z: 6 2.431 1.502 0.611 0.292 0.800 0.600 CB 0.709 6 residues pruned to eliminate duplicates Z: 40 18.570 1.979 0.549 0.435 0.821 0.564 CB 1.264 56 residues pruned to eliminate duplicates Z: 35 20.461 2.037 0.671 0.448 0.853 0.529 CB 1.276 35 residues pruned to eliminate duplicates Z: 45 19.979 1.912 0.545 0.345 0.864 0.523 CA 1.396 45 residues pruned to eliminate duplicates Z: 35 23.817 2.095 0.560 0.471 0.882 0.500 CB 1.459 35 residues pruned to eliminate duplicates Z: 37 16.854 1.997 0.615 0.390 0.750 0.472 CB 1.304 37 residues pruned to eliminate duplicates Z: 25 19.006 2.038 0.573 0.475 0.875 0.583 CA 1.418 Z: 8 3.931 1.514 0.311 0.517 1.000 0.714 CA 0.736 8 residues pruned to eliminate duplicates Z: 21 19.812 2.130 0.607 0.499 0.900 0.450 CB 1.439 21 residues pruned to eliminate duplicates Z: 6 4.166 1.573 0.979 0.298 0.800 0.400 CA 0.938 6 residues pruned to eliminate duplicates Z: 31 15.526 1.999 0.541 0.410 0.800 0.600 CB 1.264 25 residues pruned to eliminate duplicates Z: 7 3.453 1.863 0.086 0.309 0.667 0.333 CA 1.292 7 residues pruned to eliminate duplicates Z: 38 21.230 2.019 0.464 0.447 0.892 0.622 CB 1.397 69 residues pruned to eliminate duplicates Z: 52 16.147 1.910 0.522 0.357 0.765 0.451 CB 1.186 52 residues pruned to eliminate duplicates Z: 42 19.912 1.958 0.591 0.385 0.854 0.488 CB 1.322 42 residues pruned to eliminate duplicates Z: 35 18.726 2.048 0.344 0.407 0.912 0.500 CB 1.411 35 residues pruned to eliminate duplicates Z: 17 11.810 1.920 0.480 0.345 0.938 0.438 CA 1.311 17 residues pruned to eliminate duplicates Z: 41 18.476 1.927 0.462 0.392 0.875 0.525 CA 1.329 41 residues pruned to eliminate duplicates Z: 17 11.614 1.877 0.492 0.342 0.938 0.562 CB 1.313 17 residues pruned to eliminate duplicates Z: 38 19.188 1.988 0.538 0.412 0.865 0.459 CB 1.308 38 residues pruned to eliminate duplicates Z: 24 12.146 1.955 0.371 0.315 0.870 0.565 CB 1.334 24 residues pruned to eliminate duplicates Z: 39 14.807 1.930 0.489 0.369 0.842 0.474 CB 1.142 39 residues pruned to eliminate duplicates Z: 35 17.513 1.993 0.455 0.425 0.853 0.441 CB 1.314 35 residues pruned to eliminate duplicates Z: 38 21.351 2.030 0.394 0.438 0.892 0.486 CB 1.482 38 residues pruned to eliminate duplicates Z: 33 17.027 1.985 0.363 0.429 0.875 0.469 CB 1.368 33 residues pruned to eliminate duplicates Z: 52 19.980 1.920 0.494 0.377 0.882 0.588 CB 1.261 52 residues pruned to eliminate duplicates Z: 40 18.490 1.982 0.459 0.395 0.872 0.513 CB 1.312 40 residues pruned to eliminate duplicates Z: 42 18.571 1.923 0.536 0.364 0.854 0.439 CB 1.331 42 residues pruned to eliminate duplicates Z: 48 18.438 1.949 0.407 0.404 0.851 0.511 CB 1.274 48 residues pruned to eliminate duplicates Z: 39 15.564 1.859 0.478 0.382 0.789 0.553 CB 1.321 39 residues pruned to eliminate duplicates Z: 18 10.458 1.726 0.614 0.447 0.824 0.294 CB 1.167 18 residues pruned to eliminate duplicates Z: 10 4.744 1.607 0.444 0.186 0.889 0.444 CB 1.118 10 residues pruned to eliminate duplicates Z: 56 20.340 1.932 0.462 0.424 0.873 0.527 CB 1.204 56 residues pruned to eliminate duplicates Z: 20 7.673 1.665 0.241 0.330 0.895 0.421 CB 1.148 20 residues pruned to eliminate duplicates Z: 11 7.914 1.604 1.097 0.191 0.900 0.500 CB 1.196 11 residues pruned to eliminate duplicates Z: 12 7.131 1.640 0.796 0.185 0.909 0.636 CB 1.172 12 residues pruned to eliminate duplicates Z: 14 9.801 1.726 0.934 0.364 0.923 0.385 CB 1.021 14 residues pruned to eliminate duplicates Z: 20 11.863 1.807 0.583 0.466 0.895 0.526 CB 1.101 20 residues pruned to eliminate duplicates Z: 13 10.760 1.830 0.872 0.401 0.833 0.500 CB 1.207 13 residues pruned to eliminate duplicates Z: 19 12.188 1.794 0.581 0.435 0.944 0.556 CB 1.148 19 residues pruned to eliminate duplicates Z: 23 8.851 1.713 0.492 0.429 0.773 0.455 CB 1.029 23 residues pruned to eliminate duplicates Z: 14 11.048 1.877 0.562 0.474 0.923 0.615 CB 1.162 14 residues pruned to eliminate duplicates Z: 14 10.772 1.868 0.519 0.560 0.923 0.538 CB 1.076 14 residues pruned to eliminate duplicates Z: 18 12.934 1.860 0.762 0.491 0.882 0.588 CB 1.094 18 residues pruned to eliminate duplicates Z: 22 11.330 1.746 0.604 0.446 0.857 0.524 CB 1.089 22 residues pruned to eliminate duplicates Z: 15 11.336 1.858 0.450 0.558 0.929 0.643 CB 1.145 15 residues pruned to eliminate duplicates Z: 19 9.341 1.843 0.376 0.439 0.889 0.389 CB 1.041 19 residues pruned to eliminate duplicates Z: 14 10.055 1.704 0.601 0.583 0.846 0.615 CB 1.116 14 residues pruned to eliminate duplicates Z: 14 15.342 1.794 0.505 0.769 0.923 0.846 CB 1.346 14 residues pruned to eliminate duplicates Z: 13 11.631 1.798 0.162 0.752 0.917 0.833 CA 1.401 13 residues pruned to eliminate duplicates Z: 8 8.008 1.804 0.015 0.762 0.857 0.714 CB 1.529 8 residues pruned to eliminate duplicates Z: 30 11.525 1.725 0.483 0.463 0.828 0.414 CB 1.050 31 residues pruned to eliminate duplicates Z: 16 15.165 1.726 0.221 0.889 1.000 0.933 CB 1.338 16 residues pruned to eliminate duplicates Z: 10 6.842 1.632 0.591 0.593 0.778 0.778 CB 1.033 10 residues pruned to eliminate duplicates Z: 23 15.240 1.749 0.509 0.677 0.909 0.773 CB 1.151 23 residues pruned to eliminate duplicates Z: 16 15.611 1.784 0.483 0.784 0.867 0.600 CB 1.370 16 residues pruned to eliminate duplicates Z: 17 17.242 1.754 0.702 0.775 0.938 0.812 CB 1.208 17 residues pruned to eliminate duplicates Z: 16 16.327 1.739 0.627 0.791 0.867 0.800 CB 1.331 16 residues pruned to eliminate duplicates Z: 16 16.158 1.785 0.508 0.846 0.933 0.800 CB 1.233 16 residues pruned to eliminate duplicates Z: 17 16.133 1.751 0.569 0.808 0.938 0.562 CB 1.197 17 residues pruned to eliminate duplicates Z: 15 16.162 1.805 0.451 0.814 0.929 0.429 CB 1.352 15 residues pruned to eliminate duplicates Z: 14 20.613 1.785 0.715 0.923 1.000 0.538 CB 1.312 14 residues pruned to eliminate duplicates Z: 17 18.795 1.747 0.664 0.813 1.000 0.562 CB 1.230 17 residues pruned to eliminate duplicates Z: 16 18.905 1.752 0.622 0.829 1.000 0.333 CB 1.292 16 residues pruned to eliminate duplicates Z: 24 18.094 1.735 0.639 0.744 0.957 0.565 CB 1.115 17 residues pruned to eliminate duplicates Z: 19 17.045 1.699 0.740 0.802 0.944 0.722 CB 1.106 19 residues pruned to eliminate duplicates Z: 7 4.186 1.542 0.391 0.521 0.833 0.333 CB 0.937 8 residues pruned to eliminate duplicates Z: 20 15.912 1.630 0.730 0.670 0.947 0.526 CB 1.168 20 residues pruned to eliminate duplicates Z: 9 5.912 1.744 0.775 0.474 0.875 0.625 CB 0.793 6 residues pruned to eliminate duplicates Z: 6 4.062 1.514 0.332 0.512 1.000 0.800 CB 0.890 6 residues pruned to eliminate duplicates Z: 9 5.372 1.731 0.646 0.493 0.750 0.500 CB 0.894 9 residues pruned to eliminate duplicates Z: 14 12.400 1.680 0.856 0.904 0.923 0.615 CB 0.851 14 residues pruned to eliminate duplicates Z: 10 7.463 1.688 0.738 0.854 0.889 0.778 CB 0.705 10 residues pruned to eliminate duplicates Z: 13 12.389 1.751 1.018 0.895 0.917 0.583 CB 0.791 13 residues pruned to eliminate duplicates Z: 13 13.681 1.750 1.008 0.923 0.917 0.500 CB 0.862 13 residues pruned to eliminate duplicates Z: 10 8.022 1.593 0.765 0.491 0.889 0.333 CB 1.080 10 residues pruned to eliminate duplicates Z: 11 10.754 1.641 1.003 0.720 0.900 0.500 CB 0.942 11 residues pruned to eliminate duplicates Z: 13 11.884 1.730 1.027 0.910 0.917 0.250 CB 0.757 13 residues pruned to eliminate duplicates Z: 10 7.365 1.577 0.726 0.796 0.889 0.111 CB 0.783 10 residues pruned to eliminate duplicates Z: 14 12.020 1.646 0.882 0.842 1.000 0.308 CB 0.802 14 residues pruned to eliminate duplicates Z: 12 8.232 1.638 1.067 0.899 0.727 0.182 CB 0.721 12 residues pruned to eliminate duplicates Z: 26 15.567 1.698 0.708 0.699 1.000 0.560 CB 0.896 24 residues pruned to eliminate duplicates Z: 16 12.896 1.646 0.933 0.906 1.000 0.400 CB 0.744 16 residues pruned to eliminate duplicates Z: 16 13.926 1.664 0.966 0.867 1.000 0.600 CB 0.804 16 residues pruned to eliminate duplicates Z: 28 15.406 1.668 0.773 0.695 0.889 0.519 CB 0.944 27 residues pruned to eliminate duplicates Z: 6 5.499 1.500 0.666 0.445 1.000 1.000 N 1.041 Z: 6 3.359 1.240 0.649 0.510 0.800 0.800 CA 0.910 Z: 12 13.473 1.723 0.538 0.903 1.000 0.909 CB 1.093 Z: 16 14.387 1.756 0.334 0.921 1.000 1.000 CB 1.116 12 residues pruned to eliminate duplicates Z: 16 17.750 1.791 0.515 0.923 1.000 0.800 CB 1.187 16 residues pruned to eliminate duplicates Z: 17 13.123 1.710 0.346 0.858 0.938 0.500 CB 1.120 17 residues pruned to eliminate duplicates Z: 15 11.549 1.648 0.461 0.631 0.929 0.357 CB 1.221 15 residues pruned to eliminate duplicates Z: 14 11.209 1.621 0.702 0.662 0.846 0.308 CB 1.147 14 residues pruned to eliminate duplicates Z: 19 15.152 1.655 0.669 0.809 0.944 0.500 CB 1.046 19 residues pruned to eliminate duplicates Z: 27 20.427 1.846 0.674 0.754 0.923 0.615 CB 1.120 43 residues pruned to eliminate duplicates Z: 18 18.684 1.717 0.788 0.859 0.941 0.353 CB 1.154 Z: 17 16.372 1.714 0.636 0.917 0.938 0.312 CB 1.098 17 residues pruned to eliminate duplicates Z: 28 19.224 1.802 0.594 0.736 0.926 0.481 CB 1.125 46 residues pruned to eliminate duplicates Z: 17 20.249 1.770 0.724 0.872 1.000 0.438 CB 1.210 Z: 17 19.434 1.730 0.701 0.897 1.000 0.438 CB 1.182 17 residues pruned to eliminate duplicates Z: 16 18.646 1.792 0.816 0.887 1.000 0.467 CB 1.066 16 residues pruned to eliminate duplicates Z: 29 21.748 1.816 0.779 0.723 0.893 0.464 CB 1.165 46 residues pruned to eliminate duplicates Z: 23 19.875 1.862 0.685 0.619 0.955 0.636 CB 1.265 19 residues pruned to eliminate duplicates Z: 6 2.222 1.449 0.312 0.263 0.800 0.400 CB 0.857 6 residues pruned to eliminate duplicates Z: 22 16.997 1.831 0.649 0.588 0.905 0.667 CB 1.248 23 residues pruned to eliminate duplicates Z: 6 4.175 1.498 0.230 0.422 1.000 0.800 CA 1.099 6 residues pruned to eliminate duplicates Z: 11 12.937 1.958 0.567 0.642 1.000 0.800 CB 1.167 11 residues pruned to eliminate duplicates Z: 12 12.422 1.862 0.552 0.601 0.909 0.727 CA 1.295 13 residues pruned to eliminate duplicates Z: 6 2.945 1.424 0.823 0.359 1.000 0.600 CB 0.591 6 residues pruned to eliminate duplicates Z: 19 5.717 1.670 0.283 0.243 0.778 0.278 CB 1.089 19 residues pruned to eliminate duplicates Z: 11 10.050 1.732 0.495 0.633 1.000 0.600 CB 1.084 11 residues pruned to eliminate duplicates Z: 16 10.510 1.676 0.480 0.444 0.933 0.467 CB 1.242 16 residues pruned to eliminate duplicates Z: 31 16.588 1.738 0.502 0.489 0.933 0.567 CB 1.257 52 residues pruned to eliminate duplicates Z: 27 21.250 2.016 0.726 0.573 0.885 0.615 CB 1.261 39 residues pruned to eliminate duplicates Z: 18 19.311 1.897 0.510 0.873 0.941 0.941 CA 1.266 18 residues pruned to eliminate duplicates Z: 39 43.999 2.247 0.696 0.802 0.947 0.789 CA 1.519 39 residues pruned to eliminate duplicates Z: 27 17.569 2.007 0.319 0.523 0.962 0.692 CB 1.323 27 residues pruned to eliminate duplicates Z: 23 20.502 2.100 0.740 0.635 0.818 0.682 CB 1.288 23 residues pruned to eliminate duplicates Z: 61 47.614 2.198 0.752 0.679 0.883 0.683 CA 1.533 61 residues pruned to eliminate duplicates Z: 56 52.578 2.187 0.889 0.723 0.945 0.727 CA 1.484 56 residues pruned to eliminate duplicates Z: 61 36.159 2.071 0.715 0.545 0.883 0.617 CB 1.425 48 residues pruned to eliminate duplicates Z: 16 32.342 2.119 1.068 0.926 1.000 0.733 CB 1.336 16 residues pruned to eliminate duplicates Z: 56 58.426 2.177 1.031 0.758 0.927 0.636 CA 1.527 56 residues pruned to eliminate duplicates Z: 62 51.372 2.163 0.946 0.666 0.902 0.574 CA 1.487 62 residues pruned to eliminate duplicates Z: 63 49.463 2.150 0.922 0.649 0.887 0.629 CA 1.491 63 residues pruned to eliminate duplicates Z: 56 37.643 2.109 0.726 0.563 0.909 0.582 CB 1.442 56 residues pruned to eliminate duplicates Z: 55 51.509 2.181 0.860 0.758 0.944 0.667 CA 1.454 55 residues pruned to eliminate duplicates Z: 35 24.015 1.944 0.794 0.552 0.941 0.588 CB 1.192 37 residues pruned to eliminate duplicates Z: 18 21.693 1.989 1.204 0.779 0.882 0.647 CB 1.063 18 residues pruned to eliminate duplicates Z: 45 29.845 2.028 0.867 0.588 0.864 0.523 CB 1.264 45 residues pruned to eliminate duplicates Z: 75 38.008 2.038 0.695 0.500 0.919 0.595 CA 1.391 75 residues pruned to eliminate duplicates Z: 38 23.583 2.035 0.691 0.475 0.838 0.486 CB 1.379 38 residues pruned to eliminate duplicates Z: 9 13.032 1.975 0.681 0.652 0.875 0.625 CB 1.377 9 residues pruned to eliminate duplicates Z: 20 20.794 2.007 0.564 0.629 0.895 0.526 CA 1.505 20 residues pruned to eliminate duplicates Z: 22 29.746 2.086 0.918 0.699 0.952 0.524 CB 1.421 22 residues pruned to eliminate duplicates Z: 46 27.181 1.994 0.670 0.528 0.867 0.489 CB 1.365 46 residues pruned to eliminate duplicates Z: 29 19.413 1.982 0.657 0.486 0.821 0.536 CA 1.379 29 residues pruned to eliminate duplicates Z: 18 27.491 2.134 0.997 0.699 0.882 0.765 CA 1.479 18 residues pruned to eliminate duplicates Z: 21 21.013 2.044 0.661 0.615 0.900 0.700 CB 1.379 21 residues pruned to eliminate duplicates Z: 50 37.518 2.114 0.913 0.570 0.878 0.531 CA 1.411 50 residues pruned to eliminate duplicates Z: 31 26.255 2.052 0.726 0.516 0.867 0.633 CA 1.537 31 residues pruned to eliminate duplicates Z: 17 29.223 2.143 0.902 0.683 0.938 0.688 CA 1.616 17 residues pruned to eliminate duplicates Z: 24 18.737 1.938 0.655 0.527 0.913 0.565 CA 1.299 24 residues pruned to eliminate duplicates Z: 29 20.696 1.993 0.599 0.515 0.893 0.571 CA 1.354 29 residues pruned to eliminate duplicates Z: 18 19.243 2.095 0.744 0.566 0.882 0.647 CA 1.358 18 residues pruned to eliminate duplicates Z: 20 17.890 2.053 0.548 0.481 0.895 0.632 CA 1.472 20 residues pruned to eliminate duplicates Z: 10 6.403 1.945 0.504 0.330 0.778 0.556 CA 1.131 10 residues pruned to eliminate duplicates Z: 29 28.975 2.052 0.773 0.582 0.964 0.536 CA 1.441 29 residues pruned to eliminate duplicates Z: 21 25.887 2.165 0.910 0.470 1.000 0.550 CA 1.442 21 residues pruned to eliminate duplicates Z: 28 20.725 2.030 0.561 0.509 0.889 0.630 CA 1.404 28 residues pruned to eliminate duplicates Z: 29 27.047 2.039 0.780 0.520 0.929 0.571 CA 1.487 29 residues pruned to eliminate duplicates Z: 28 28.072 2.119 0.851 0.538 0.889 0.556 CA 1.494 28 residues pruned to eliminate duplicates Z: 49 43.461 2.191 0.897 0.623 0.958 0.562 CA 1.403 49 residues pruned to eliminate duplicates Z: 24 19.442 1.958 0.512 0.535 0.957 0.652 CA 1.384 24 residues pruned to eliminate duplicates Z: 18 16.375 2.063 0.921 0.449 0.882 0.588 CA 1.196 18 residues pruned to eliminate duplicates Z: 63 46.036 2.185 0.758 0.603 0.952 0.661 CB 1.450 63 residues pruned to eliminate duplicates Z: 50 37.761 2.093 0.786 0.592 0.939 0.612 CA 1.407 50 residues pruned to eliminate duplicates Z: 38 29.834 2.057 0.804 0.530 0.919 0.622 CA 1.397 38 residues pruned to eliminate duplicates Z: 53 38.819 2.104 0.788 0.581 0.962 0.673 CA 1.377 53 residues pruned to eliminate duplicates Z: 33 29.042 2.092 0.678 0.494 1.000 0.562 CB 1.472 33 residues pruned to eliminate duplicates Z: 41 33.815 2.224 0.659 0.536 0.950 0.525 CA 1.472 41 residues pruned to eliminate duplicates Z: 21 16.191 1.947 0.825 0.391 0.950 0.500 CA 1.204 21 residues pruned to eliminate duplicates Z: 58 37.304 2.125 0.681 0.538 0.947 0.491 CA 1.406 58 residues pruned to eliminate duplicates Z: 71 42.405 2.136 0.691 0.560 0.943 0.586 CB 1.404 71 residues pruned to eliminate duplicates Z: 47 35.220 2.076 0.738 0.633 0.891 0.587 CB 1.425 47 residues pruned to eliminate duplicates Z: 35 32.222 2.213 0.796 0.579 0.912 0.647 CB 1.413 35 residues pruned to eliminate duplicates Z: 26 24.660 2.162 0.600 0.584 0.920 0.560 CB 1.430 26 residues pruned to eliminate duplicates Z: 36 30.473 2.196 0.681 0.632 0.886 0.714 CB 1.392 36 residues pruned to eliminate duplicates Z: 25 26.671 2.199 0.804 0.644 0.875 0.708 CB 1.371 25 residues pruned to eliminate duplicates Z: 25 18.068 2.076 0.956 0.505 0.708 0.458 CB 1.276 25 residues pruned to eliminate duplicates Z: 66 37.204 2.035 0.779 0.534 0.892 0.585 CB 1.382 66 residues pruned to eliminate duplicates Z: 30 23.368 2.071 0.738 0.564 0.862 0.379 CB 1.314 30 residues pruned to eliminate duplicates Z: 16 22.377 2.189 1.029 0.725 0.800 0.267 CB 1.328 16 residues pruned to eliminate duplicates Z: 43 36.739 2.125 0.887 0.586 0.952 0.524 CB 1.367 43 residues pruned to eliminate duplicates Z: 37 33.350 2.157 0.792 0.634 0.944 0.528 CB 1.342 37 residues pruned to eliminate duplicates Z: 45 31.803 2.140 0.690 0.630 0.909 0.523 CB 1.291 45 residues pruned to eliminate duplicates Z: 62 41.961 2.182 0.705 0.592 0.918 0.525 CB 1.441 62 residues pruned to eliminate duplicates Z: 37 30.974 2.167 0.628 0.673 0.944 0.583 CB 1.321 37 residues pruned to eliminate duplicates Z: 72 42.226 2.141 0.704 0.595 0.873 0.676 CB 1.436 72 residues pruned to eliminate duplicates Z: 28 24.357 2.097 0.827 0.611 0.815 0.407 CB 1.351 28 residues pruned to eliminate duplicates Z: 37 33.750 2.179 0.804 0.691 0.917 0.556 CB 1.311 37 residues pruned to eliminate duplicates Z: 28 17.763 1.984 0.554 0.525 0.852 0.556 CB 1.270 28 residues pruned to eliminate duplicates Z: 27 21.046 2.027 0.648 0.537 0.923 0.654 CB 1.291 27 residues pruned to eliminate duplicates Z: 41 36.123 2.135 0.840 0.701 0.925 0.500 CB 1.309 41 residues pruned to eliminate duplicates Z: 36 35.484 2.181 0.822 0.689 0.914 0.543 CB 1.388 36 residues pruned to eliminate duplicates Z: 57 27.030 2.050 0.475 0.452 0.875 0.429 CB 1.434 57 residues pruned to eliminate duplicates Z: 24 27.550 2.139 0.869 0.679 0.870 0.304 CB 1.401 24 residues pruned to eliminate duplicates Z: 42 24.946 2.082 0.787 0.502 0.780 0.488 CB 1.339 42 residues pruned to eliminate duplicates Z: 70 28.055 1.983 0.473 0.480 0.841 0.478 CB 1.403 70 residues pruned to eliminate duplicates Z: 58 27.360 2.051 0.438 0.446 0.877 0.526 CA 1.481 58 residues pruned to eliminate duplicates Z: 57 27.168 2.040 0.444 0.445 0.893 0.482 CB 1.461 57 residues pruned to eliminate duplicates Z: 45 26.434 2.060 0.505 0.455 0.909 0.545 CB 1.481 45 residues pruned to eliminate duplicates Z: 62 27.567 2.035 0.483 0.459 0.869 0.557 CB 1.404 62 residues pruned to eliminate duplicates Z: 22 16.020 2.007 0.457 0.463 0.905 0.476 CA 1.371 22 residues pruned to eliminate duplicates Z: 45 21.274 2.060 0.385 0.430 0.841 0.432 CB 1.437 45 residues pruned to eliminate duplicates Z: 68 26.886 2.027 0.452 0.425 0.851 0.448 CB 1.419 68 residues pruned to eliminate duplicates Z: 58 29.414 2.042 0.524 0.461 0.895 0.561 CB 1.456 58 residues pruned to eliminate duplicates Z: 53 23.882 2.047 0.427 0.409 0.846 0.462 CB 1.474 53 residues pruned to eliminate duplicates Z: 68 29.113 2.014 0.474 0.447 0.851 0.463 CB 1.488 68 residues pruned to eliminate duplicates Z: 51 28.260 2.079 0.497 0.441 0.920 0.560 CB 1.484 51 residues pruned to eliminate duplicates Z: 49 21.034 2.035 0.274 0.415 0.896 0.542 CB 1.428 49 residues pruned to eliminate duplicates Z: 25 13.735 2.000 0.211 0.458 0.875 0.625 CA 1.381 25 residues pruned to eliminate duplicates Z: 40 21.219 2.013 0.373 0.456 0.897 0.538 CB 1.433 40 residues pruned to eliminate duplicates Z: 62 25.568 1.980 0.418 0.420 0.885 0.492 CB 1.431 62 residues pruned to eliminate duplicates Z: 110 47.128 2.095 0.638 0.500 0.917 0.578 CA 1.434 110 residues pruned to eliminate duplicates Z: 51 22.324 2.044 0.397 0.398 0.840 0.460 CB 1.465 51 residues pruned to eliminate duplicates Z: 28 17.650 2.063 0.295 0.474 0.889 0.519 CA 1.469 28 residues pruned to eliminate duplicates Z: 61 28.635 2.048 0.454 0.466 0.883 0.583 CA 1.455 61 residues pruned to eliminate duplicates Z: 27 13.027 2.090 0.314 0.408 0.731 0.500 CB 1.401 27 residues pruned to eliminate duplicates Z: 24 15.698 2.098 0.398 0.469 0.826 0.652 CA 1.393 24 residues pruned to eliminate duplicates Z: 60 24.790 1.992 0.404 0.418 0.864 0.475 CA 1.455 60 residues pruned to eliminate duplicates Z: 10 5.026 2.053 -0.018 0.371 0.778 0.556 CA 1.227 10 residues pruned to eliminate duplicates Z: 99 39.564 2.040 0.596 0.524 0.847 0.439 CB 1.416 99 residues pruned to eliminate duplicates Z: 65 26.667 1.988 0.431 0.455 0.875 0.500 CB 1.403 65 residues pruned to eliminate duplicates Z: 27 13.833 1.985 0.176 0.448 0.846 0.538 CB 1.449 27 residues pruned to eliminate duplicates Z: 55 28.588 1.926 0.589 0.504 0.907 0.500 CB 1.394 55 residues pruned to eliminate duplicates Z: 25 14.276 2.021 0.291 0.406 0.833 0.542 CA 1.480 25 residues pruned to eliminate duplicates Z: 59 24.677 1.996 0.479 0.395 0.862 0.379 CB 1.422 59 residues pruned to eliminate duplicates Z: 85 28.270 1.951 0.457 0.459 0.845 0.405 CB 1.339 85 residues pruned to eliminate duplicates Z: 128 40.552 2.011 0.557 0.490 0.843 0.441 CB 1.378 128 residues pruned to eliminate duplicates Z: 46 19.666 1.922 0.439 0.448 0.844 0.422 CB 1.324 46 residues pruned to eliminate duplicates Z: 24 12.813 1.922 0.319 0.382 0.870 0.304 CB 1.375 24 residues pruned to eliminate duplicates Z: 37 23.582 2.010 0.421 0.450 0.944 0.639 CA 1.533 37 residues pruned to eliminate duplicates Z: 56 26.521 1.934 0.482 0.526 0.891 0.545 CA 1.365 56 residues pruned to eliminate duplicates Z: 16 9.423 1.811 0.399 0.436 0.800 0.400 CA 1.283 16 residues pruned to eliminate duplicates Z: 25 13.880 2.052 0.290 0.398 0.792 0.458 CB 1.506 25 residues pruned to eliminate duplicates Z: 41 17.358 1.893 0.437 0.370 0.850 0.325 CB 1.363 41 residues pruned to eliminate duplicates Z: 60 27.591 1.921 0.486 0.525 0.864 0.492 CA 1.420 60 residues pruned to eliminate duplicates Z: 33 20.318 2.044 0.397 0.398 0.938 0.469 CA 1.494 33 residues pruned to eliminate duplicates Z: 56 23.668 1.902 0.348 0.507 0.909 0.509 CB 1.359 56 residues pruned to eliminate duplicates Z: 117 47.234 2.068 0.642 0.505 0.922 0.569 CA 1.393 117 residues pruned to eliminate duplicates Z: 43 19.263 1.916 0.477 0.410 0.833 0.548 CB 1.386 43 residues pruned to eliminate duplicates Z: 38 20.542 1.988 0.447 0.429 0.919 0.568 CA 1.375 38 residues pruned to eliminate duplicates Z: 40 16.249 1.895 0.336 0.389 0.846 0.590 CA 1.366 40 residues pruned to eliminate duplicates Z: 34 17.448 1.985 0.443 0.360 0.879 0.455 CB 1.404 34 residues pruned to eliminate duplicates Z: 28 15.277 1.915 0.459 0.342 0.963 0.444 CB 1.298 28 residues pruned to eliminate duplicates Z: 19 17.586 1.993 0.579 0.418 0.944 0.444 CB 1.519 19 residues pruned to eliminate duplicates Z: 14 9.445 1.813 0.516 0.457 0.769 0.462 CA 1.294 14 residues pruned to eliminate duplicates Z: 52 22.166 2.050 0.340 0.399 0.863 0.569 CB 1.456 52 residues pruned to eliminate duplicates Z: 12 8.107 1.812 0.271 0.536 0.909 0.636 CB 1.127 12 residues pruned to eliminate duplicates Z: 25 16.749 1.823 0.490 0.620 0.833 0.333 CB 1.349 25 residues pruned to eliminate duplicates Z: 24 16.299 1.824 0.540 0.600 0.826 0.435 CB 1.332 24 residues pruned to eliminate duplicates Z: 22 11.173 1.784 0.442 0.477 0.810 0.238 CA 1.199 22 residues pruned to eliminate duplicates Z: 15 12.583 1.874 0.354 0.568 0.929 0.500 CA 1.337 15 residues pruned to eliminate duplicates Z: 29 15.453 1.770 0.219 0.563 0.929 0.500 CA 1.370 29 residues pruned to eliminate duplicates Z: 65 33.371 1.867 0.536 0.664 0.969 0.641 CB 1.290 65 residues pruned to eliminate duplicates Z: 48 25.384 1.930 0.391 0.542 1.000 0.511 CA 1.324 48 residues pruned to eliminate duplicates Z: 20 10.905 1.694 0.631 0.645 0.684 0.368 CB 1.155 20 residues pruned to eliminate duplicates Z: 49 22.680 1.943 0.412 0.452 0.938 0.500 CA 1.337 49 residues pruned to eliminate duplicates Z: 24 15.196 1.759 0.562 0.576 0.870 0.652 CA 1.233 24 residues pruned to eliminate duplicates Z: 29 15.646 1.806 0.559 0.542 0.857 0.429 CA 1.176 29 residues pruned to eliminate duplicates Z: 15 10.891 1.708 0.591 0.535 0.857 0.429 CB 1.208 15 residues pruned to eliminate duplicates Z: 15 13.143 1.712 0.574 0.695 0.857 0.571 CB 1.273 15 residues pruned to eliminate duplicates Z: 21 12.562 1.665 0.476 0.592 0.850 0.400 CB 1.232 21 residues pruned to eliminate duplicates Z: 57 24.812 1.912 0.336 0.558 0.946 0.554 CA 1.296 57 residues pruned to eliminate duplicates Z: 56 28.327 1.849 0.530 0.640 0.945 0.636 CB 1.253 56 residues pruned to eliminate duplicates Z: 28 15.476 1.770 0.581 0.573 0.778 0.444 CA 1.276 28 residues pruned to eliminate duplicates Z: 32 17.226 1.763 0.495 0.616 0.806 0.516 CA 1.304 32 residues pruned to eliminate duplicates Z: 41 23.550 1.810 0.657 0.568 0.950 0.750 CB 1.224 41 residues pruned to eliminate duplicates Z: 38 22.698 1.904 0.476 0.595 0.892 0.622 CB 1.360 38 residues pruned to eliminate duplicates Z: 44 21.638 1.857 0.544 0.547 0.837 0.372 CB 1.313 44 residues pruned to eliminate duplicates Z: 60 30.279 1.859 0.492 0.655 0.932 0.576 CB 1.320 60 residues pruned to eliminate duplicates Z: 70 24.606 1.918 0.343 0.457 0.870 0.522 CA 1.382 70 residues pruned to eliminate duplicates Z: 16 12.743 1.886 0.596 0.532 0.800 0.733 CB 1.325 16 residues pruned to eliminate duplicates Z: 36 20.653 1.865 0.484 0.589 0.914 0.629 CB 1.267 36 residues pruned to eliminate duplicates Z: 38 20.763 1.867 0.445 0.555 0.892 0.541 CB 1.345 38 residues pruned to eliminate duplicates Z: 10 10.351 1.883 0.635 0.432 0.778 0.667 CB 1.547 10 residues pruned to eliminate duplicates Z: 33 20.636 1.888 0.430 0.559 0.938 0.562 CB 1.361 33 residues pruned to eliminate duplicates Z: 38 20.669 1.874 0.415 0.514 0.946 0.568 CA 1.336 38 residues pruned to eliminate duplicates Z: 15 11.195 1.976 0.381 0.293 0.929 0.571 CA 1.488 15 residues pruned to eliminate duplicates Z: 52 29.834 1.859 0.689 0.625 0.941 0.569 CB 1.257 52 residues pruned to eliminate duplicates Z: 33 22.967 1.905 0.521 0.554 1.000 0.625 CB 1.330 33 residues pruned to eliminate duplicates Z: 31 17.582 1.784 0.596 0.586 0.900 0.600 CB 1.154 31 residues pruned to eliminate duplicates Z: 71 30.592 1.929 0.532 0.478 0.914 0.500 CA 1.384 71 residues pruned to eliminate duplicates Z: 17 11.777 1.815 0.594 0.334 0.938 0.625 CB 1.302 17 residues pruned to eliminate duplicates Z: 30 19.709 1.883 0.567 0.582 0.897 0.621 CB 1.279 30 residues pruned to eliminate duplicates Z: 31 16.581 1.730 0.474 0.575 0.900 0.700 CA 1.227 31 residues pruned to eliminate duplicates Z: 38 18.115 1.751 0.424 0.549 0.892 0.595 CB 1.277 38 residues pruned to eliminate duplicates Z: 30 16.447 1.835 0.356 0.520 0.931 0.552 CB 1.293 30 residues pruned to eliminate duplicates Z: 33 19.723 1.819 0.579 0.667 0.906 0.656 CB 1.148 33 residues pruned to eliminate duplicates Z: 46 22.189 1.772 0.536 0.496 0.911 0.556 CB 1.339 46 residues pruned to eliminate duplicates Z: 25 16.339 1.793 0.400 0.704 0.958 0.875 CB 1.151 25 residues pruned to eliminate duplicates Z: 43 24.189 1.819 0.596 0.602 0.952 0.667 CB 1.225 43 residues pruned to eliminate duplicates Z: 53 26.784 1.837 0.440 0.576 0.981 0.692 CA 1.331 53 residues pruned to eliminate duplicates Z: 33 19.222 1.700 0.537 0.622 0.969 0.469 CB 1.196 33 residues pruned to eliminate duplicates Z: 62 29.493 1.862 0.603 0.625 0.885 0.574 CB 1.270 62 residues pruned to eliminate duplicates Z: 36 23.669 1.895 0.495 0.559 0.943 0.571 CB 1.415 36 residues pruned to eliminate duplicates Z: 57 24.571 1.846 0.493 0.541 0.929 0.536 CB 1.233 57 residues pruned to eliminate duplicates Z: 59 31.689 1.876 0.507 0.624 0.948 0.621 CB 1.381 59 residues pruned to eliminate duplicates Z: 32 17.433 1.833 0.329 0.539 0.935 0.613 CB 1.323 32 residues pruned to eliminate duplicates Z: 43 29.403 1.916 0.584 0.652 0.952 0.690 CB 1.362 43 residues pruned to eliminate duplicates Z: 33 20.882 1.896 0.446 0.547 0.938 0.656 CB 1.372 33 residues pruned to eliminate duplicates Z: 44 23.575 1.897 0.551 0.577 0.860 0.581 CB 1.319 44 residues pruned to eliminate duplicates Z: 73 35.108 1.884 0.602 0.636 0.917 0.569 CA 1.316 73 residues pruned to eliminate duplicates Z: 43 25.722 1.919 0.600 0.588 0.881 0.690 CB 1.348 43 residues pruned to eliminate duplicates Z: 44 27.289 1.913 0.617 0.598 0.907 0.651 CB 1.351 44 residues pruned to eliminate duplicates Z: 30 22.838 1.778 0.797 0.716 0.931 0.621 CB 1.172 30 residues pruned to eliminate duplicates Z: 13 14.570 1.837 0.678 0.618 0.917 0.750 CA 1.332 13 residues pruned to eliminate duplicates Z: 11 14.612 1.963 0.805 0.634 0.900 0.500 CA 1.278 11 residues pruned to eliminate duplicates Z: 29 19.415 1.810 0.591 0.710 0.964 0.714 CB 1.092 29 residues pruned to eliminate duplicates Z: 29 20.767 1.807 0.700 0.691 1.000 0.607 CB 1.073 29 residues pruned to eliminate duplicates Z: 13 11.038 1.781 0.491 0.483 0.917 0.500 CB 1.332 13 residues pruned to eliminate duplicates Z: 8 7.460 1.815 0.155 0.579 1.000 0.286 CB 1.245 8 residues pruned to eliminate duplicates Z: 23 10.505 1.606 0.489 0.377 0.955 0.545 CA 1.119 23 residues pruned to eliminate duplicates Z: 30 19.218 1.765 0.715 0.703 0.931 0.586 CB 1.053 30 residues pruned to eliminate duplicates Z: 58 26.890 1.798 0.612 0.609 0.965 0.614 CB 1.147 58 residues pruned to eliminate duplicates Z: 25 19.367 1.819 0.657 0.571 1.000 0.625 CB 1.225 25 residues pruned to eliminate duplicates Z: 20 9.454 1.705 0.363 0.397 0.842 0.474 CA 1.236 20 residues pruned to eliminate duplicates Z: 33 17.323 1.747 0.630 0.587 0.906 0.594 CB 1.092 33 residues pruned to eliminate duplicates Z: 49 35.500 2.112 0.660 0.634 0.896 0.542 CA 1.439 49 residues pruned to eliminate duplicates Z: 15 6.848 1.695 0.542 0.237 0.929 0.214 CB 1.023 15 residues pruned to eliminate duplicates Z: 39 42.020 2.211 0.827 0.712 0.921 0.605 CA 1.512 39 residues pruned to eliminate duplicates Z: 55 53.805 2.182 1.011 0.741 0.870 0.519 CA 1.545 55 residues pruned to eliminate duplicates Z: 40 40.704 2.158 0.849 0.708 0.897 0.615 CA 1.508 41 residues pruned to eliminate duplicates Z: 20 41.905 2.273 1.119 0.879 0.947 0.789 CA 1.528 20 residues pruned to eliminate duplicates Z: 40 39.375 2.139 0.910 0.677 0.872 0.590 CA 1.504 40 residues pruned to eliminate duplicates Z: 63 47.135 2.142 0.832 0.641 0.903 0.548 CB 1.480 63 residues pruned to eliminate duplicates Z: 24 37.866 2.272 0.879 0.769 0.913 0.739 CB 1.596 24 residues pruned to eliminate duplicates Z: 61 52.242 2.152 0.922 0.700 0.917 0.517 CB 1.483 61 residues pruned to eliminate duplicates Z: 50 40.382 2.110 0.830 0.666 0.918 0.571 CB 1.396 50 residues pruned to eliminate duplicates Z: 56 51.056 2.172 0.884 0.735 0.945 0.491 CA 1.441 56 residues pruned to eliminate duplicates Z: 54 61.212 2.206 1.015 0.763 0.962 0.717 CB 1.556 54 residues pruned to eliminate duplicates Z: 24 40.375 2.236 1.012 0.712 0.957 0.609 CA 1.614 24 residues pruned to eliminate duplicates Z: 40 44.244 2.154 1.001 0.713 0.897 0.667 CA 1.511 41 residues pruned to eliminate duplicates Z: 20 39.169 2.285 0.933 0.884 0.947 0.632 CA 1.551 20 residues pruned to eliminate duplicates Z: 44 38.173 2.132 0.990 0.648 0.837 0.488 CB 1.427 44 residues pruned to eliminate duplicates Z: 40 52.550 2.242 0.981 0.809 0.949 0.846 CB 1.526 40 residues pruned to eliminate duplicates Z: 61 54.555 2.181 0.907 0.687 0.933 0.600 CA 1.528 61 residues pruned to eliminate duplicates Z: 41 46.544 2.179 0.905 0.690 0.925 0.625 CA 1.610 41 residues pruned to eliminate duplicates Z: 62 54.135 2.164 0.915 0.671 0.918 0.639 CB 1.556 62 residues pruned to eliminate duplicates Z: 62 54.594 2.157 1.040 0.680 0.902 0.607 CB 1.493 61 residues pruned to eliminate duplicates Z: 13 18.030 1.952 0.905 0.818 0.917 0.750 CA 1.159 13 residues pruned to eliminate duplicates Z: 13 20.474 1.997 0.862 0.820 1.000 0.750 CA 1.205 13 residues pruned to eliminate duplicates Z: 56 62.053 2.186 1.088 0.764 0.945 0.673 CA 1.534 56 residues pruned to eliminate duplicates Z: 15 20.321 2.028 0.981 0.675 0.929 0.714 CA 1.240 15 residues pruned to eliminate duplicates Z: 55 56.346 2.177 0.941 0.757 0.944 0.611 CB 1.529 55 residues pruned to eliminate duplicates Z: 17 21.477 2.025 0.760 0.692 0.938 0.562 CA 1.348 17 residues pruned to eliminate duplicates Z: 17 19.263 2.056 0.707 0.666 0.875 0.562 CA 1.345 17 residues pruned to eliminate duplicates Z: 14 18.457 2.056 0.965 0.789 0.923 0.462 CA 1.064 14 residues pruned to eliminate duplicates Z: 20 15.696 1.927 0.787 0.540 0.789 0.421 CA 1.273 20 residues pruned to eliminate duplicates Z: 39 40.596 1.989 0.923 0.688 0.921 0.447 CA 1.574 39 residues pruned to eliminate duplicates 504 residues left after pruning, divided into chains as follows: A: 9 B: 15 C: 6 D: 10 E: 8 F: 160 G: 29 H: 238 I: 29 CC for partial structure against native data = 34.55 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.431, Connect. = 0.695 for dens.mod. cycle 1 = 0.300, Contrast = 0.502, Connect. = 0.719 for dens.mod. cycle 2 = 0.300, Contrast = 0.597, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.598, Connect. = 0.755 for dens.mod. cycle 4 = 0.300, Contrast = 0.606, Connect. = 0.756 for dens.mod. cycle 5 = 0.300, Contrast = 0.608, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.612, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.614, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.617, Connect. = 0.762 for dens.mod. cycle 9 TimeTaking 241.17