++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:32:22 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: ./2hx1-2.1-parrot-mrncs/2hx1-2.1-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2hx1-2.1-parrot-mrncs/2hx1-2.1-parrot-mrncs.ins Phases from ./2hx1-2.1-parrot-mrncs/2hx1-2.1-parrot-mrncs.phi Native data from ./2hx1-2.1-parrot-mrncs/2hx1-2.1-parrot-mrncs.hkl Listing output to ./2hx1-2.1-parrot-mrncs/2hx1-2.1-parrot-mrncs.lst Phases output to ./2hx1-2.1-parrot-mrncs/2hx1-2.1-parrot-mrncs.phs Poly-Ala trace output to ./2hx1-2.1-parrot-mrncs/2hx1-2.1-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: P 21 21 21 Allowed origin shift code: 4 70128 Reflections read from file ./2hx1-2.1-parrot-mrncs/2hx1-2.1-parrot-mrncs.phi 70128 Reflections read from file ./2hx1-2.1-parrot-mrncs/2hx1-2.1-parrot-mrncs.hkl 70128 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by -0.000189h^2 +0.000017k^2 +0.000047l^2 +0.000000kl +0.000000hl +0.000000hk 43 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 128 x 256 x 55 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.820 = 0.300, Contrast = 0.322, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.401, Connect. = 0.715 for dens.mod. cycle 2 = 0.300, Contrast = 0.481, Connect. = 0.743 for dens.mod. cycle 3 = 0.300, Contrast = 0.501, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.515, Connect. = 0.756 for dens.mod. cycle 5 = 0.300, Contrast = 0.523, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.529, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.533, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.536, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.538, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5041 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1266 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 27.052 2.108 0.838 0.909 1.000 0.818 CB 1.494 B: 10 29.566 2.093 1.127 0.887 1.000 0.222 CA 1.596 12 residues pruned to eliminate duplicates C: 11 24.915 1.955 1.355 0.833 0.900 0.500 CB 1.427 D: 15 24.913 1.909 0.940 0.858 1.000 0.643 CA 1.324 10 residues pruned to eliminate duplicates E: 14 28.977 2.137 0.652 0.905 1.000 0.769 CA 1.620 F: 11 24.618 2.028 1.268 0.907 1.000 0.700 CB 1.203 12 residues pruned to eliminate duplicates G: 15 31.314 2.030 0.806 0.876 1.000 0.786 CA 1.660 14 residues pruned to eliminate duplicates H: 15 18.670 1.844 0.633 0.878 1.000 0.429 CB 1.203 15 residues pruned to eliminate duplicates I: 15 25.953 2.035 0.662 0.925 0.929 0.857 CA 1.550 15 residues pruned to eliminate duplicates J: 12 24.518 2.101 0.734 0.863 1.000 0.727 CA 1.488 12 residues pruned to eliminate duplicates K: 13 22.084 1.959 1.142 0.855 1.000 0.417 CB 1.121 13 residues pruned to eliminate duplicates L: 9 20.477 2.030 1.039 0.829 0.875 0.500 CB 1.504 9 residues pruned to eliminate duplicates M: 17 20.164 1.882 0.580 0.906 1.000 0.875 CA 1.206 N: 15 32.787 2.073 1.132 0.894 1.000 0.929 CB 1.423 O: 14 22.918 2.095 0.543 0.910 0.923 0.846 CA 1.511 14 residues pruned to eliminate duplicates P: 11 25.535 1.949 1.128 0.851 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Q: 12 22.723 2.120 0.921 0.844 0.909 0.636 CB 1.376 12 residues pruned to eliminate duplicates R: 14 34.544 2.117 0.920 0.926 1.000 0.692 CA 1.653 15 residues pruned to eliminate duplicates S: 8 6.695 1.683 0.782 0.535 0.714 0.714 CB 1.141 T: 14 19.323 1.859 0.482 0.905 1.000 0.538 CA 1.385 U: 12 22.094 1.951 0.727 0.932 1.000 0.727 CA 1.380 V: 13 22.027 2.015 0.715 0.896 0.917 0.833 CB 1.438 W: 14 19.432 1.924 0.597 0.933 1.000 0.923 CB 1.224 14 residues pruned to eliminate duplicates X: 13 9.830 1.718 0.639 0.412 0.917 0.667 CB 1.205 Y: 14 20.908 1.954 0.563 0.915 1.000 0.769 CA 1.342 12 residues pruned to eliminate duplicates Z: 9 14.167 1.782 0.986 0.863 1.000 0.875 CA 1.038 Z: 10 26.537 2.106 1.007 0.888 0.889 0.444 CA 1.696 11 residues pruned to eliminate duplicates Z: 14 27.045 2.062 0.631 0.944 1.000 0.923 CA 1.544 Z: 13 16.223 1.948 0.488 0.888 0.917 0.833 CB 1.270 Z: 16 20.156 1.909 0.690 0.842 1.000 0.800 CA 1.202 16 residues pruned to eliminate duplicates Z: 17 21.332 1.885 0.611 0.914 0.938 0.938 CA 1.325 17 residues pruned to eliminate duplicates Z: 9 18.948 2.041 1.131 0.903 1.000 0.750 CB 1.097 Z: 18 14.303 1.774 0.607 0.500 0.941 0.647 CB 1.293 Z: 15 12.823 1.819 0.316 0.779 1.000 0.714 CA 1.119 13 residues pruned to eliminate duplicates Z: 11 21.511 2.023 1.018 0.931 1.000 0.700 CB 1.164 11 residues pruned to eliminate duplicates Z: 16 27.894 1.946 0.859 0.903 1.000 0.867 CA 1.419 16 residues pruned to eliminate duplicates Z: 15 28.877 2.037 1.036 0.920 1.000 0.643 CB 1.311 15 residues pruned to eliminate duplicates Z: 14 12.941 1.798 0.576 0.882 1.000 0.769 CA 0.917 Z: 13 23.440 2.030 0.911 0.882 0.917 0.833 CB 1.376 13 residues pruned to eliminate duplicates Z: 15 33.660 2.090 0.918 0.916 0.929 0.571 CA 1.706 15 residues pruned to eliminate duplicates Z: 14 30.457 2.121 0.805 0.911 0.923 0.538 CA 1.693 14 residues pruned to eliminate duplicates Z: 6 8.910 1.627 1.268 0.848 1.000 0.800 CB 0.801 Z: 16 13.728 1.891 0.542 0.549 0.867 0.733 CB 1.337 Z: 10 18.957 2.079 0.878 0.909 1.000 0.444 CB 1.149 Z: 17 26.450 1.939 0.818 0.905 0.938 0.812 CA 1.424 17 residues pruned to eliminate duplicates Z: 7 12.155 1.867 0.679 0.690 1.000 0.333 CA 1.330 Z: 14 21.650 1.999 0.620 0.890 1.000 0.692 CA 1.333 14 residues pruned to eliminate duplicates Z: 17 25.742 2.009 0.995 0.872 0.938 0.812 CA 1.248 Z: 13 16.563 1.949 0.396 0.899 1.000 0.833 CA 1.257 13 residues pruned to eliminate duplicates Z: 16 22.753 2.009 0.854 0.921 0.933 0.733 CA 1.189 16 residues pruned to eliminate duplicates Z: 25 14.367 1.869 0.564 0.442 0.792 0.417 CB 1.345 Z: 15 17.692 1.800 0.673 0.810 1.000 0.786 CA 1.199 Z: 11 20.155 1.951 0.729 0.912 1.000 0.700 CB 1.338 10 residues pruned to eliminate duplicates Z: 9 5.949 1.573 0.729 0.268 0.875 0.375 CB 1.151 Z: 13 17.281 1.939 0.756 0.881 0.917 0.750 CB 1.158 Z: 15 28.819 1.984 0.745 0.937 1.000 0.929 CA 1.548 14 residues pruned to eliminate duplicates Z: 12 21.165 2.023 0.587 0.931 1.000 0.818 CB 1.389 12 residues pruned to eliminate duplicates Z: 9 12.338 1.932 0.364 0.863 1.000 0.875 CA 1.214 Z: 11 13.847 2.010 0.456 0.915 1.000 0.800 CB 1.058 11 residues pruned to eliminate duplicates Z: 13 26.492 1.996 0.860 0.909 1.000 0.833 CB 1.462 14 residues pruned to eliminate duplicates Z: 20 12.493 1.855 0.805 0.533 0.789 0.526 CB 1.050 20 residues pruned to eliminate duplicates Z: 7 7.836 1.854 0.602 0.688 0.833 0.333 CA 1.088 6 residues pruned to eliminate duplicates Z: 14 19.603 1.891 0.912 0.860 0.923 0.385 CB 1.198 11 residues pruned to eliminate duplicates Z: 13 18.174 1.973 0.608 0.908 1.000 0.917 CB 1.174 13 residues pruned to eliminate duplicates Z: 11 21.779 2.007 0.836 0.887 1.000 0.800 CB 1.347 11 residues pruned to eliminate duplicates Z: 12 10.186 1.926 0.560 0.384 0.909 0.545 CB 1.272 13 residues pruned to eliminate duplicates Z: 12 20.185 2.037 0.835 0.874 0.909 0.727 CB 1.303 Z: 13 15.990 1.943 0.649 0.910 0.917 0.917 CB 1.115 13 residues pruned to eliminate duplicates Z: 14 13.518 1.811 0.915 0.315 0.923 0.769 CA 1.437 Z: 13 18.909 1.942 0.675 0.889 1.000 0.750 CA 1.208 14 residues pruned to eliminate duplicates Z: 14 27.426 2.091 0.796 0.926 0.923 0.769 CA 1.538 14 residues pruned to eliminate duplicates Z: 13 18.179 1.902 0.655 0.870 1.000 0.667 CA 1.217 13 residues pruned to eliminate duplicates Z: 14 22.450 2.044 0.878 0.828 0.923 0.769 CA 1.324 14 residues pruned to eliminate duplicates Z: 10 10.775 1.762 0.574 0.862 1.000 0.667 CB 0.951 9 residues pruned to eliminate duplicates Z: 12 15.898 1.628 0.848 0.908 1.000 0.909 CA 1.131 Z: 8 3.908 1.665 0.602 0.489 0.714 0.571 CB 0.784 8 residues pruned to eliminate duplicates Z: 25 15.769 1.784 0.763 0.477 0.875 0.583 CB 1.197 Z: 10 10.612 1.851 0.324 0.828 0.889 0.667 CA 1.222 10 residues pruned to eliminate duplicates Z: 7 4.766 1.706 0.420 0.650 0.833 0.667 CB 0.838 Z: 17 25.737 2.005 0.999 0.883 0.938 0.438 CA 1.238 17 residues pruned to eliminate duplicates Z: 43 26.933 1.943 0.622 0.527 0.929 0.667 CB 1.382 22 residues pruned to eliminate duplicates Z: 11 16.601 1.790 0.730 0.780 1.000 0.800 CA 1.324 13 residues pruned to eliminate duplicates Z: 15 20.832 1.833 0.942 0.820 1.000 0.714 CB 1.186 15 residues pruned to eliminate duplicates Z: 15 17.582 1.834 0.659 0.897 1.000 0.857 CB 1.105 14 residues pruned to eliminate duplicates Z: 15 14.936 1.741 0.500 0.793 0.929 0.643 CA 1.274 Z: 59 22.976 1.896 0.602 0.413 0.862 0.500 CB 1.262 34 residues pruned to eliminate duplicates Z: 14 20.590 1.823 0.936 0.832 1.000 0.769 CA 1.215 13 residues pruned to eliminate duplicates Z: 15 15.541 1.726 0.625 0.767 0.929 0.643 CA 1.259 16 residues pruned to eliminate duplicates Z: 10 8.598 1.793 0.650 0.494 0.889 0.667 CB 1.096 10 residues pruned to eliminate duplicates Z: 14 18.977 1.950 0.443 0.892 0.923 0.769 CB 1.456 14 residues pruned to eliminate duplicates Z: 13 17.153 1.871 0.642 0.924 0.917 0.917 CB 1.235 13 residues pruned to eliminate duplicates Z: 10 9.612 1.877 0.707 0.458 0.778 0.667 CB 1.343 10 residues pruned to eliminate duplicates Z: 13 19.241 2.021 0.341 0.919 1.000 0.833 CB 1.443 13 residues pruned to eliminate duplicates Z: 6 7.292 1.887 0.582 0.607 0.800 0.800 CB 1.233 6 residues pruned to eliminate duplicates Z: 14 24.498 1.837 1.030 0.826 1.000 0.769 CA 1.375 Z: 26 27.401 1.986 0.913 0.629 0.960 0.600 CA 1.331 18 residues pruned to eliminate duplicates Z: 17 28.570 1.999 1.184 0.893 0.938 0.625 CA 1.253 17 residues pruned to eliminate duplicates Z: 16 20.948 1.854 0.754 0.899 0.933 0.600 CA 1.274 14 residues pruned to eliminate duplicates Z: 27 14.194 1.908 0.682 0.457 0.769 0.500 CB 1.179 25 residues pruned to eliminate duplicates Z: 12 20.358 1.967 0.842 0.869 0.909 0.818 CA 1.361 12 residues pruned to eliminate duplicates Z: 8 6.781 1.534 0.818 0.634 0.714 0.714 CB 1.134 7 residues pruned to eliminate duplicates Z: 17 27.673 1.960 0.814 0.908 1.000 0.750 CA 1.382 17 residues pruned to eliminate duplicates Z: 10 7.132 1.677 0.718 0.510 0.778 0.667 CB 1.050 10 residues pruned to eliminate duplicates Z: 13 20.928 2.019 0.795 0.906 1.000 0.667 CB 1.186 13 residues pruned to eliminate duplicates Z: 25 13.731 1.713 0.478 0.387 1.000 0.375 CA 1.248 25 residues pruned to eliminate duplicates Z: 14 20.269 1.920 0.444 0.901 1.000 0.769 CB 1.448 14 residues pruned to eliminate duplicates Z: 13 11.363 1.546 0.491 0.857 1.000 0.917 CA 1.049 Z: 9 5.384 1.549 0.449 0.403 0.875 0.625 CA 1.073 9 residues pruned to eliminate duplicates Z: 15 27.187 2.053 0.800 0.920 1.000 0.929 CB 1.385 15 residues pruned to eliminate duplicates Z: 10 19.154 1.872 1.094 0.927 1.000 0.778 CB 1.141 9 residues pruned to eliminate duplicates Z: 13 10.099 1.701 0.221 0.883 0.917 0.833 CA 1.107 Z: 29 24.439 1.939 0.764 0.472 0.964 0.714 CB 1.441 14 residues pruned to eliminate duplicates Z: 15 29.819 2.065 0.733 0.906 1.000 0.929 CA 1.585 14 residues pruned to eliminate duplicates Z: 16 29.118 2.019 1.013 0.919 1.000 0.867 CA 1.304 16 residues pruned to eliminate duplicates Z: 17 24.185 1.964 0.823 0.890 1.000 0.750 CA 1.216 17 residues pruned to eliminate duplicates Z: 12 12.995 1.987 0.127 0.873 1.000 0.818 CB 1.275 12 residues pruned to eliminate duplicates Z: 14 14.483 1.849 0.501 0.768 0.923 0.615 CA 1.237 11 residues pruned to eliminate duplicates Z: 13 15.469 1.968 0.410 0.915 1.000 0.917 CA 1.138 13 residues pruned to eliminate duplicates Z: 11 21.654 2.068 0.853 0.916 1.000 0.700 CB 1.262 12 residues pruned to eliminate duplicates Z: 17 23.630 1.888 0.741 0.918 1.000 0.812 CA 1.268 9 residues pruned to eliminate duplicates Z: 43 34.726 1.996 0.805 0.530 1.000 0.595 CA 1.444 27 residues pruned to eliminate duplicates Z: 15 25.752 2.016 0.740 0.894 0.857 0.429 CA 1.642 15 residues pruned to eliminate duplicates Z: 10 23.261 1.886 1.427 0.926 1.000 0.778 CB 1.188 21 residues pruned to eliminate duplicates Z: 14 26.653 2.028 0.939 0.891 0.923 0.385 CA 1.465 14 residues pruned to eliminate duplicates Z: 11 22.300 2.070 0.809 0.909 1.000 0.800 CB 1.336 11 residues pruned to eliminate duplicates Z: 6 4.752 1.875 -0.012 0.804 0.800 0.400 CB 1.100 Z: 15 21.326 1.989 0.592 0.920 0.929 0.929 CA 1.365 15 residues pruned to eliminate duplicates Z: 13 24.633 1.881 0.967 0.912 1.000 0.833 CA 1.362 13 residues pruned to eliminate duplicates Z: 17 25.403 1.925 0.928 0.854 0.875 0.750 CB 1.445 17 residues pruned to eliminate duplicates Z: 23 12.544 1.762 0.634 0.396 0.864 0.455 CB 1.201 23 residues pruned to eliminate duplicates Z: 28 20.883 1.961 0.554 0.503 0.926 0.593 CB 1.420 15 residues pruned to eliminate duplicates Z: 17 26.135 1.820 0.881 0.900 0.938 0.625 CA 1.454 17 residues pruned to eliminate duplicates Z: 16 17.773 1.859 0.678 0.883 0.933 0.600 CB 1.140 15 residues pruned to eliminate duplicates Z: 15 20.508 2.017 0.788 0.795 0.857 0.571 CB 1.369 15 residues pruned to eliminate duplicates Z: 86 32.853 1.890 0.653 0.488 0.882 0.576 CB 1.308 83 residues pruned to eliminate duplicates Z: 16 27.877 1.914 1.015 0.926 1.000 0.867 CA 1.308 17 residues pruned to eliminate duplicates Z: 13 17.867 1.858 0.424 0.938 1.000 0.833 CB 1.356 14 residues pruned to eliminate duplicates Z: 13 17.441 1.657 0.790 0.845 1.000 0.500 CA 1.262 13 residues pruned to eliminate duplicates Z: 13 20.980 1.914 0.850 0.858 1.000 0.667 CA 1.260 13 residues pruned to eliminate duplicates Z: 13 28.207 2.112 0.827 0.939 1.000 0.750 CA 1.467 13 residues pruned to eliminate duplicates Z: 11 18.835 1.792 1.050 0.930 1.000 0.900 CB 1.134 11 residues pruned to eliminate duplicates Z: 6 9.125 1.877 0.400 0.858 1.000 0.800 CA 1.144 8 residues pruned to eliminate duplicates Z: 13 21.179 1.989 0.850 0.931 1.000 0.750 CB 1.161 14 residues pruned to eliminate duplicates Z: 12 6.128 1.796 0.396 0.310 0.818 0.545 CB 1.113 Z: 69 32.842 1.963 0.722 0.513 0.882 0.647 CB 1.319 69 residues pruned to eliminate duplicates Z: 26 20.910 1.955 0.633 0.507 0.880 0.480 CA 1.477 16 residues pruned to eliminate duplicates Z: 6 6.251 1.864 0.400 0.645 0.800 0.800 CA 1.169 Z: 11 6.340 1.823 0.329 0.627 0.700 0.700 CB 1.049 Z: 13 13.811 1.903 0.374 0.898 0.917 0.833 CB 1.190 13 residues pruned to eliminate duplicates Z: 45 24.178 1.826 0.692 0.556 0.886 0.477 CB 1.261 39 residues pruned to eliminate duplicates Z: 14 20.741 1.811 0.930 0.829 1.000 0.615 CB 1.239 14 residues pruned to eliminate duplicates Z: 7 6.403 1.641 1.013 0.434 0.667 0.667 CB 1.272 7 residues pruned to eliminate duplicates Z: 13 30.477 2.013 0.984 0.918 1.000 0.917 CA 1.553 13 residues pruned to eliminate duplicates Z: 12 16.763 1.944 0.552 0.916 0.909 0.818 CB 1.302 Z: 16 26.040 1.964 0.726 0.918 1.000 0.933 CB 1.399 16 residues pruned to eliminate duplicates Z: 16 28.197 2.071 0.744 0.867 1.000 0.600 CA 1.474 16 residues pruned to eliminate duplicates Z: 11 20.974 2.037 0.865 0.917 1.000 0.700 CB 1.232 11 residues pruned to eliminate duplicates Z: 16 18.532 1.929 0.780 0.818 0.800 0.600 CA 1.321 16 residues pruned to eliminate duplicates Z: 13 17.738 1.956 0.707 0.852 0.750 0.667 CB 1.512 13 residues pruned to eliminate duplicates Z: 14 15.213 1.779 0.625 0.759 0.923 0.769 CA 1.255 14 residues pruned to eliminate duplicates Z: 10 8.845 1.766 0.488 0.553 0.889 0.778 CB 1.198 8 residues pruned to eliminate duplicates Z: 12 10.798 1.801 0.406 0.833 0.909 0.727 CB 1.061 11 residues pruned to eliminate duplicates Z: 43 25.431 1.882 0.732 0.518 0.881 0.595 CA 1.342 15 residues pruned to eliminate duplicates Z: 6 9.453 1.763 0.461 0.719 1.000 0.800 CA 1.346 Z: 6 2.723 1.691 -0.049 0.620 1.000 0.600 CB 0.676 Z: 15 34.816 2.113 0.952 0.872 1.000 0.143 CA 1.644 14 residues pruned to eliminate duplicates Z: 13 21.500 1.960 0.781 0.883 1.000 0.667 CA 1.285 15 residues pruned to eliminate duplicates Z: 14 25.914 1.948 0.857 0.931 1.000 0.846 CA 1.388 14 residues pruned to eliminate duplicates Z: 70 26.862 1.856 0.670 0.399 0.899 0.536 CB 1.292 70 residues pruned to eliminate duplicates Z: 7 9.618 1.934 0.291 0.838 0.833 0.667 CA 1.411 7 residues pruned to eliminate duplicates Z: 7 5.063 1.815 0.683 0.662 0.667 0.667 CB 0.874 8 residues pruned to eliminate duplicates Z: 14 14.860 1.794 0.444 0.712 1.000 0.538 CA 1.313 14 residues pruned to eliminate duplicates Z: 7 9.627 1.826 0.230 0.853 1.000 1.000 CA 1.293 Z: 12 7.085 1.735 0.591 0.423 0.909 0.636 CB 0.922 12 residues pruned to eliminate duplicates Z: 14 26.449 2.043 0.858 0.917 1.000 0.923 CA 1.364 14 residues pruned to eliminate duplicates Z: 45 37.692 1.976 0.987 0.568 0.977 0.636 CA 1.387 45 residues pruned to eliminate duplicates Z: 12 13.764 1.984 0.475 0.904 0.909 0.909 CB 1.110 12 residues pruned to eliminate duplicates Z: 22 18.205 1.764 0.847 0.691 1.000 0.524 CB 1.024 Z: 20 17.570 1.947 0.729 0.567 0.842 0.737 CA 1.334 20 residues pruned to eliminate duplicates Z: 17 17.586 1.894 0.483 0.881 1.000 0.812 CA 1.133 17 residues pruned to eliminate duplicates Z: 16 12.793 1.774 0.665 0.401 0.933 0.533 CB 1.330 14 residues pruned to eliminate duplicates Z: 12 15.539 1.992 0.545 0.901 1.000 0.545 CB 1.087 12 residues pruned to eliminate duplicates Z: 14 23.838 2.015 0.572 0.932 1.000 0.923 CA 1.458 14 residues pruned to eliminate duplicates Z: 11 11.022 1.610 0.273 0.859 1.000 0.800 CA 1.251 11 residues pruned to eliminate duplicates Z: 6 6.608 1.845 0.118 0.785 0.800 0.800 N 1.394 6 residues pruned to eliminate duplicates Z: 15 26.826 2.019 1.065 0.910 1.000 0.857 CA 1.220 15 residues pruned to eliminate duplicates Z: 14 17.705 1.775 0.649 0.876 0.923 0.692 CA 1.322 14 residues pruned to eliminate duplicates Z: 14 19.675 1.952 0.528 0.875 1.000 0.769 CA 1.330 10 residues pruned to eliminate duplicates Z: 14 13.346 1.856 0.604 0.624 0.846 0.692 CB 1.307 15 residues pruned to eliminate duplicates Z: 9 15.361 2.055 0.379 0.876 1.000 1.000 CA 1.393 9 residues pruned to eliminate duplicates Z: 8 5.031 1.704 0.069 0.380 1.000 0.429 CA 1.186 Z: 9 17.047 1.917 0.831 0.868 1.000 0.625 CA 1.254 9 residues pruned to eliminate duplicates Z: 14 24.280 2.027 0.860 0.886 0.846 0.538 CA 1.524 14 residues pruned to eliminate duplicates Z: 23 14.439 1.751 0.654 0.535 0.955 0.591 CB 1.076 23 residues pruned to eliminate duplicates Z: 13 35.088 2.154 1.041 0.940 0.917 0.417 CA 1.745 13 residues pruned to eliminate duplicates Z: 11 13.715 1.782 0.661 0.863 0.900 0.700 CB 1.194 8 residues pruned to eliminate duplicates Z: 7 4.568 1.229 0.084 0.855 1.000 1.000 CA 1.033 7 residues pruned to eliminate duplicates Z: 14 26.363 2.085 0.780 0.880 1.000 0.769 CA 1.427 14 residues pruned to eliminate duplicates Z: 8 12.503 1.869 0.740 0.590 1.000 0.714 CB 1.333 Z: 12 17.102 2.041 0.423 0.888 0.909 0.909 CB 1.408 12 residues pruned to eliminate duplicates Z: 7 8.394 1.613 0.526 0.785 1.000 0.667 CA 1.083 Z: 17 24.633 1.896 0.805 0.938 1.000 0.875 CA 1.252 17 residues pruned to eliminate duplicates Z: 13 24.239 2.022 0.877 0.932 0.917 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 6 6.047 1.708 0.594 0.812 1.000 0.800 CA 0.757 6 residues pruned to eliminate duplicates Z: 38 23.631 1.938 0.667 0.406 0.892 0.568 CB 1.489 38 residues pruned to eliminate duplicates Z: 9 18.422 2.001 1.205 0.917 1.000 0.500 CB 1.041 9 residues pruned to eliminate duplicates Z: 14 19.494 1.921 0.688 0.934 1.000 0.615 CB 1.163 14 residues pruned to eliminate duplicates Z: 13 19.877 1.936 0.784 0.866 1.000 0.667 CA 1.216 13 residues pruned to eliminate duplicates Z: 12 16.853 1.989 0.438 0.887 1.000 0.909 CA 1.281 12 residues pruned to eliminate duplicates Z: 9 14.923 1.990 0.930 0.875 1.000 1.000 CB 0.999 10 residues pruned to eliminate duplicates Z: 24 12.428 1.888 0.342 0.535 0.826 0.609 CB 1.196 24 residues pruned to eliminate duplicates Z: 15 20.923 1.904 0.562 0.921 1.000 0.857 CB 1.324 17 residues pruned to eliminate duplicates Z: 15 23.836 1.828 0.811 0.923 1.000 0.857 CA 1.352 15 residues pruned to eliminate duplicates Z: 13 19.455 1.946 0.721 0.907 1.000 0.667 CA 1.191 13 residues pruned to eliminate duplicates Z: 16 21.112 1.955 0.471 0.903 1.000 1.000 CA 1.351 16 residues pruned to eliminate duplicates Z: 14 18.250 1.796 0.779 0.883 1.000 0.769 CB 1.145 12 residues pruned to eliminate duplicates Z: 11 15.252 1.788 0.573 0.922 1.000 0.800 CA 1.206 13 residues pruned to eliminate duplicates Z: 13 22.248 1.892 0.711 0.866 1.000 0.583 CA 1.452 13 residues pruned to eliminate duplicates Z: 15 13.581 1.880 0.339 0.876 0.929 0.714 CB 1.128 15 residues pruned to eliminate duplicates Z: 8 7.781 1.697 0.786 0.803 0.857 0.429 CB 0.868 Z: 18 26.854 1.834 0.881 0.887 1.000 0.471 CA 1.361 18 residues pruned to eliminate duplicates Z: 14 18.087 1.829 0.742 0.817 0.923 0.615 CB 1.295 14 residues pruned to eliminate duplicates Z: 6 5.496 1.724 -0.087 0.855 1.000 0.800 CA 1.152 Z: 12 14.814 1.682 0.675 0.848 1.000 0.909 CA 1.177 12 residues pruned to eliminate duplicates Z: 15 16.655 1.781 0.916 0.778 0.857 0.714 CA 1.191 15 residues pruned to eliminate duplicates Z: 14 7.659 1.765 0.463 0.276 0.923 0.692 CB 1.148 Z: 15 26.808 2.022 0.850 0.893 1.000 0.929 CA 1.375 15 residues pruned to eliminate duplicates Z: 10 20.708 2.034 0.773 0.875 1.000 0.556 CA 1.392 10 residues pruned to eliminate duplicates Z: 8 13.570 1.738 0.812 0.855 1.000 0.714 CA 1.203 Z: 7 3.089 1.425 0.421 0.379 0.833 0.500 CB 0.850 Z: 8 11.074 1.672 0.503 0.868 1.000 0.571 CA 1.217 8 residues pruned to eliminate duplicates Z: 12 10.429 1.760 0.332 0.784 0.818 0.636 CB 1.277 6 residues pruned to eliminate duplicates Z: 8 12.475 1.872 0.691 0.813 1.000 0.714 CA 1.134 8 residues pruned to eliminate duplicates Z: 36 16.067 1.821 0.650 0.526 0.771 0.457 CB 1.142 24 residues pruned to eliminate duplicates Z: 16 26.706 1.943 0.730 0.939 1.000 0.933 CA 1.425 16 residues pruned to eliminate duplicates Z: 31 22.857 1.920 0.621 0.582 0.933 0.667 CB 1.327 25 residues pruned to eliminate duplicates Z: 16 23.639 1.960 0.578 0.912 1.000 0.800 CA 1.398 16 residues pruned to eliminate duplicates Z: 6 6.785 1.812 1.192 0.496 0.800 0.800 CA 0.958 Z: 9 11.853 1.937 0.222 0.871 0.875 0.875 CB 1.476 9 residues pruned to eliminate duplicates Z: 16 28.429 1.984 0.804 0.913 1.000 0.733 CB 1.452 16 residues pruned to eliminate duplicates Z: 23 10.556 1.825 0.461 0.305 0.909 0.500 CB 1.154 23 residues pruned to eliminate duplicates Z: 20 12.543 1.854 0.532 0.432 0.895 0.474 CA 1.215 20 residues pruned to eliminate duplicates Z: 14 21.855 1.810 0.960 0.875 0.923 0.231 CA 1.346 14 residues pruned to eliminate duplicates Z: 17 9.584 1.724 0.653 0.415 0.812 0.688 CB 1.132 17 residues pruned to eliminate duplicates Z: 6 6.411 1.721 0.437 0.452 1.000 0.600 CB 1.218 Z: 6 5.750 1.709 0.521 0.838 1.000 1.000 CB 0.740 Z: 15 26.261 2.028 0.829 0.878 1.000 0.714 CA 1.373 15 residues pruned to eliminate duplicates Z: 13 14.180 1.650 0.417 0.887 1.000 0.917 CA 1.263 Z: 13 24.696 1.941 1.053 0.841 1.000 0.833 CA 1.334 13 residues pruned to eliminate duplicates Z: 74 34.664 1.881 0.761 0.544 0.863 0.466 CB 1.360 66 residues pruned to eliminate duplicates Z: 14 17.584 1.758 0.663 0.827 1.000 0.692 CB 1.257 14 residues pruned to eliminate duplicates Z: 11 16.263 2.011 0.763 0.857 0.900 0.900 CB 1.188 11 residues pruned to eliminate duplicates Z: 12 8.840 1.488 0.342 0.842 0.909 0.545 CB 1.094 12 residues pruned to eliminate duplicates Z: 10 23.394 1.971 0.979 0.877 1.000 0.667 CA 1.452 10 residues pruned to eliminate duplicates Z: 22 10.667 1.851 0.404 0.362 0.857 0.476 CB 1.212 22 residues pruned to eliminate duplicates Z: 10 7.390 1.507 0.847 0.514 0.778 0.556 CB 1.123 10 residues pruned to eliminate duplicates Z: 13 17.012 1.657 0.737 0.880 1.000 0.917 CB 1.236 12 residues pruned to eliminate duplicates Z: 14 17.119 1.797 0.581 0.801 1.000 0.692 CA 1.284 14 residues pruned to eliminate duplicates Z: 16 20.227 1.937 0.354 0.929 1.000 0.867 CA 1.394 16 residues pruned to eliminate duplicates Z: 8 8.249 1.726 1.247 0.534 0.857 0.571 CB 0.906 Z: 18 26.509 1.877 0.876 0.889 0.941 0.706 CB 1.398 18 residues pruned to eliminate duplicates Z: 13 19.901 1.953 0.646 0.889 1.000 0.833 CA 1.286 13 residues pruned to eliminate duplicates Z: 6 5.415 1.779 0.319 0.864 1.000 0.800 CB 0.756 6 residues pruned to eliminate duplicates Z: 13 15.231 1.699 0.549 0.912 1.000 0.833 CA 1.183 Z: 19 10.683 1.727 0.701 0.409 0.778 0.333 CB 1.212 Z: 14 33.251 2.045 0.935 0.946 1.000 0.385 CA 1.612 14 residues pruned to eliminate duplicates Z: 50 25.617 1.896 0.659 0.454 0.918 0.694 CB 1.327 50 residues pruned to eliminate duplicates Z: 13 19.250 1.816 0.960 0.915 1.000 0.500 CB 1.103 12 residues pruned to eliminate duplicates Z: 8 12.196 1.753 0.802 0.844 1.000 0.714 CA 1.085 8 residues pruned to eliminate duplicates Z: 62 28.256 1.852 0.811 0.446 0.869 0.590 CB 1.312 45 residues pruned to eliminate duplicates Z: 14 15.753 1.787 0.470 0.903 1.000 0.846 CA 1.186 14 residues pruned to eliminate duplicates Z: 14 24.557 2.017 0.704 0.928 1.000 0.923 CA 1.388 14 residues pruned to eliminate duplicates Z: 16 28.972 1.991 1.181 0.897 0.933 0.600 CA 1.321 16 residues pruned to eliminate duplicates Z: 14 24.745 1.983 1.088 0.852 1.000 0.462 CB 1.225 14 residues pruned to eliminate duplicates Z: 10 12.079 1.825 0.759 0.475 1.000 0.667 CA 1.287 10 residues pruned to eliminate duplicates Z: 12 23.353 2.030 0.814 0.910 1.000 0.727 CB 1.356 13 residues pruned to eliminate duplicates Z: 48 33.846 1.971 0.807 0.556 0.894 0.532 CB 1.469 50 residues pruned to eliminate duplicates Z: 9 17.472 2.060 1.058 0.917 1.000 1.000 CB 1.028 9 residues pruned to eliminate duplicates Z: 13 14.000 1.604 0.821 0.846 1.000 0.417 CB 1.028 9 residues pruned to eliminate duplicates Z: 9 10.875 1.997 0.635 0.881 1.000 1.000 CB 0.853 9 residues pruned to eliminate duplicates Z: 6 2.415 1.317 0.532 0.285 0.800 0.600 N 0.852 Z: 25 20.476 1.953 0.821 0.610 0.875 0.583 CB 1.210 25 residues pruned to eliminate duplicates Z: 15 21.552 1.822 0.795 0.868 1.000 0.571 CB 1.288 15 residues pruned to eliminate duplicates Z: 6 6.976 1.795 0.311 0.684 1.000 0.800 CB 1.120 Z: 12 15.212 1.882 0.453 0.888 1.000 0.545 CB 1.208 13 residues pruned to eliminate duplicates Z: 68 30.339 1.870 0.812 0.429 0.910 0.597 CB 1.293 68 residues pruned to eliminate duplicates Z: 8 2.592 1.540 0.089 0.476 0.714 0.714 CB 0.838 Z: 30 15.538 1.847 0.742 0.319 0.828 0.552 CA 1.323 9 residues pruned to eliminate duplicates Z: 15 21.129 1.943 0.585 0.918 1.000 0.929 CA 1.293 15 residues pruned to eliminate duplicates Z: 16 26.433 1.904 0.893 0.917 1.000 0.800 CA 1.336 16 residues pruned to eliminate duplicates Z: 9 6.675 1.710 0.196 0.739 0.750 0.625 CA 1.242 9 residues pruned to eliminate duplicates Z: 17 22.842 1.872 0.645 0.903 1.000 0.688 CA 1.322 17 residues pruned to eliminate duplicates Z: 14 19.904 1.862 0.747 0.931 1.000 0.692 CB 1.186 14 residues pruned to eliminate duplicates Z: 6 5.715 1.782 0.185 0.759 1.000 0.600 CB 0.960 6 residues pruned to eliminate duplicates Z: 43 22.213 1.809 0.512 0.603 0.952 0.619 CB 1.193 14 residues pruned to eliminate duplicates Z: 7 9.398 1.846 0.551 0.807 0.833 0.500 CA 1.230 7 residues pruned to eliminate duplicates Z: 7 10.343 1.869 0.660 0.525 1.000 0.500 CB 1.327 8 residues pruned to eliminate duplicates Z: 6 6.785 1.508 0.270 0.828 1.000 0.800 CA 1.193 6 residues pruned to eliminate duplicates Z: 26 25.626 1.986 0.705 0.646 0.960 0.520 CB 1.376 26 residues pruned to eliminate duplicates Z: 10 8.683 1.728 0.320 0.829 0.778 0.556 CA 1.229 10 residues pruned to eliminate duplicates Z: 17 10.091 1.869 0.289 0.444 0.875 0.562 CB 1.268 17 residues pruned to eliminate duplicates Z: 11 14.766 1.669 0.729 0.879 0.900 0.600 CB 1.305 11 residues pruned to eliminate duplicates Z: 13 13.089 1.677 0.473 0.831 1.000 0.833 CB 1.149 13 residues pruned to eliminate duplicates Z: 30 16.621 1.851 0.589 0.427 0.828 0.655 CA 1.368 22 residues pruned to eliminate duplicates Z: 16 27.101 1.909 0.926 0.895 1.000 0.867 CA 1.364 16 residues pruned to eliminate duplicates Z: 6 6.140 1.606 0.193 0.801 1.000 0.800 CA 1.102 6 residues pruned to eliminate duplicates Z: 14 15.648 1.844 0.590 0.754 0.923 0.538 CA 1.279 14 residues pruned to eliminate duplicates Z: 35 21.973 1.937 0.741 0.493 0.794 0.471 CA 1.416 35 residues pruned to eliminate duplicates Z: 16 12.121 1.811 0.391 0.479 0.933 0.800 CA 1.360 16 residues pruned to eliminate duplicates Z: 14 16.429 1.845 0.716 0.795 0.923 0.692 CA 1.203 14 residues pruned to eliminate duplicates Z: 13 24.063 1.867 1.347 0.896 0.917 0.583 CB 1.239 12 residues pruned to eliminate duplicates Z: 13 22.157 1.970 0.949 0.910 1.000 0.750 CB 1.181 13 residues pruned to eliminate duplicates Z: 7 9.792 1.788 0.464 0.891 0.833 0.667 CB 1.317 7 residues pruned to eliminate duplicates Z: 13 15.800 1.708 0.743 0.905 0.917 0.750 CA 1.190 13 residues pruned to eliminate duplicates Z: 34 25.071 1.968 0.796 0.509 0.909 0.424 CA 1.345 34 residues pruned to eliminate duplicates Z: 9 25.839 2.011 0.989 0.839 1.000 0.500 N 1.705 9 residues pruned to eliminate duplicates Z: 19 14.685 1.823 0.668 0.461 0.889 0.722 CA 1.334 19 residues pruned to eliminate duplicates Z: 7 6.323 1.596 0.617 0.547 0.833 0.833 CB 1.146 Z: 8 9.628 1.733 0.674 0.862 1.000 1.000 CB 0.921 Z: 11 5.856 1.789 0.815 0.239 0.700 0.300 CB 1.103 Z: 25 23.642 1.905 0.625 0.689 0.958 0.750 CA 1.367 18 residues pruned to eliminate duplicates Z: 12 10.123 2.017 0.546 0.378 0.909 0.636 CB 1.226 5 residues pruned to eliminate duplicates Z: 12 19.009 1.967 0.596 0.876 1.000 0.909 CA 1.327 12 residues pruned to eliminate duplicates Z: 15 16.064 1.761 0.591 0.806 1.000 0.786 CA 1.173 15 residues pruned to eliminate duplicates Z: 32 15.006 1.840 0.558 0.433 0.903 0.419 CB 1.116 32 residues pruned to eliminate duplicates Z: 11 11.848 1.924 0.707 0.297 1.000 0.700 CB 1.431 11 residues pruned to eliminate duplicates Z: 12 16.247 1.997 0.266 0.909 1.000 0.818 CB 1.375 12 residues pruned to eliminate duplicates Z: 13 16.226 1.879 0.784 0.796 0.917 0.667 CB 1.176 13 residues pruned to eliminate duplicates Z: 38 21.482 1.878 0.735 0.407 0.892 0.432 CB 1.339 39 residues pruned to eliminate duplicates Z: 14 14.466 1.741 0.635 0.799 1.000 0.769 CB 1.085 14 residues pruned to eliminate duplicates Z: 23 10.763 1.806 0.576 0.336 0.727 0.455 CA 1.326 23 residues pruned to eliminate duplicates Z: 7 9.005 1.734 0.739 0.615 0.833 0.500 CB 1.313 Z: 15 17.359 1.744 0.702 0.828 0.929 0.571 CA 1.268 15 residues pruned to eliminate duplicates Z: 7 5.626 1.708 0.355 0.681 0.833 0.500 CB 1.008 Z: 15 25.293 2.041 0.883 0.923 1.000 0.929 CA 1.236 15 residues pruned to eliminate duplicates Z: 13 20.155 1.960 0.884 0.908 1.000 0.833 CB 1.119 13 residues pruned to eliminate duplicates Z: 65 31.838 1.920 0.699 0.530 0.906 0.578 CB 1.307 56 residues pruned to eliminate duplicates Z: 8 8.661 1.763 0.296 0.835 0.857 0.714 CA 1.253 8 residues pruned to eliminate duplicates Z: 13 23.138 1.922 0.939 0.918 1.000 0.833 CB 1.263 12 residues pruned to eliminate duplicates Z: 16 8.538 1.651 0.415 0.462 0.867 0.400 CA 1.132 16 residues pruned to eliminate duplicates Z: 11 8.947 1.784 0.271 0.500 0.900 0.700 CA 1.387 7 residues pruned to eliminate duplicates Z: 7 4.506 1.455 0.608 0.762 0.833 0.833 CA 0.748 Z: 13 15.679 1.865 0.461 0.892 1.000 0.833 CA 1.193 13 residues pruned to eliminate duplicates Z: 15 18.305 1.774 0.715 0.795 1.000 0.857 CA 1.242 14 residues pruned to eliminate duplicates Z: 10 10.950 1.796 0.235 0.765 1.000 0.667 CB 1.301 6 residues pruned to eliminate duplicates Z: 29 17.817 1.874 0.564 0.491 0.857 0.357 CB 1.352 32 residues pruned to eliminate duplicates Z: 85 30.892 1.828 0.688 0.530 0.869 0.619 CB 1.220 65 residues pruned to eliminate duplicates Z: 10 11.224 1.679 0.722 0.860 1.000 0.778 CB 0.951 10 residues pruned to eliminate duplicates Z: 14 19.113 1.921 0.626 0.910 0.923 0.692 CA 1.304 14 residues pruned to eliminate duplicates Z: 19 22.625 1.966 0.864 0.773 0.944 0.778 CB 1.210 19 residues pruned to eliminate duplicates Z: 22 14.002 1.712 0.619 0.503 0.905 0.667 CB 1.215 18 residues pruned to eliminate duplicates Z: 14 20.103 1.765 0.742 0.821 1.000 0.692 CA 1.372 14 residues pruned to eliminate duplicates Z: 6 4.792 1.805 0.048 0.675 0.800 0.800 CB 1.206 6 residues pruned to eliminate duplicates Z: 8 12.861 1.896 0.467 0.890 1.000 0.857 CB 1.258 8 residues pruned to eliminate duplicates Z: 18 21.460 1.858 0.662 0.861 0.941 0.765 CA 1.316 18 residues pruned to eliminate duplicates Z: 13 21.460 1.929 0.990 0.901 1.000 0.750 CB 1.152 15 residues pruned to eliminate duplicates Z: 13 15.808 1.966 0.742 0.379 1.000 0.750 CB 1.516 4 residues pruned to eliminate duplicates Z: 23 14.057 1.716 0.624 0.466 0.909 0.591 CA 1.225 23 residues pruned to eliminate duplicates Z: 8 10.906 1.767 0.200 0.902 1.000 0.429 CA 1.386 8 residues pruned to eliminate duplicates Z: 11 7.374 1.730 0.612 0.419 0.800 0.600 CA 1.137 11 residues pruned to eliminate duplicates Z: 29 17.165 1.840 0.581 0.502 0.893 0.643 CA 1.246 27 residues pruned to eliminate duplicates Z: 13 20.669 1.897 1.088 0.833 0.833 0.750 CA 1.356 13 residues pruned to eliminate duplicates Z: 8 10.026 1.899 0.874 0.898 1.000 1.000 CB 0.762 8 residues pruned to eliminate duplicates Z: 14 16.624 1.842 0.853 0.881 0.846 0.538 CB 1.156 14 residues pruned to eliminate duplicates Z: 8 8.145 1.488 0.841 0.583 1.000 0.714 CB 1.038 Z: 14 13.197 1.732 0.613 0.800 0.846 0.692 CA 1.191 14 residues pruned to eliminate duplicates Z: 8 13.631 1.892 0.738 0.808 1.000 1.000 CB 1.198 8 residues pruned to eliminate duplicates Z: 14 23.986 1.878 0.896 0.867 1.000 0.692 CA 1.367 14 residues pruned to eliminate duplicates Z: 13 4.947 1.572 0.387 0.352 0.750 0.500 CB 1.024 13 residues pruned to eliminate duplicates Z: 14 13.243 1.743 0.731 0.858 0.846 0.769 CB 1.060 14 residues pruned to eliminate duplicates Z: 45 24.437 1.908 0.705 0.465 0.886 0.523 CB 1.324 45 residues pruned to eliminate duplicates Z: 12 9.975 1.702 0.653 0.892 1.000 0.727 CB 0.768 12 residues pruned to eliminate duplicates Z: 9 5.770 1.649 0.419 0.456 0.875 0.750 CB 1.042 9 residues pruned to eliminate duplicates Z: 15 21.605 2.000 0.677 0.862 1.000 0.857 CA 1.264 15 residues pruned to eliminate duplicates Z: 60 28.029 1.841 0.842 0.519 0.864 0.525 CB 1.222 65 residues pruned to eliminate duplicates Z: 52 36.011 1.976 0.758 0.585 0.941 0.588 CB 1.422 52 residues pruned to eliminate duplicates Z: 12 12.809 1.722 0.456 0.907 1.000 0.727 CB 1.095 12 residues pruned to eliminate duplicates Z: 14 15.886 1.745 0.592 0.880 1.000 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 66 30.347 1.900 0.789 0.527 0.877 0.569 CB 1.230 66 residues pruned to eliminate duplicates Z: 30 21.557 1.892 0.704 0.491 0.931 0.724 CA 1.346 31 residues pruned to eliminate duplicates Z: 62 39.430 1.971 0.869 0.542 0.967 0.590 CB 1.361 62 residues pruned to eliminate duplicates Z: 24 15.558 1.755 0.675 0.652 0.783 0.478 CB 1.224 24 residues pruned to eliminate duplicates Z: 8 10.867 1.980 1.211 0.898 1.000 0.714 CB 0.671 8 residues pruned to eliminate duplicates Z: 24 20.333 1.924 0.495 0.680 0.913 0.696 CB 1.368 28 residues pruned to eliminate duplicates Z: 6 5.151 1.614 0.482 0.458 0.800 0.800 CB 1.257 Z: 12 12.492 1.775 0.478 0.908 0.909 0.909 CB 1.122 12 residues pruned to eliminate duplicates Z: 6 5.673 1.537 0.334 0.705 1.000 0.600 CB 1.026 7 residues pruned to eliminate duplicates Z: 13 24.102 1.937 0.986 0.925 1.000 0.833 CA 1.269 13 residues pruned to eliminate duplicates Z: 9 10.156 1.789 0.164 0.813 1.000 0.625 CA 1.314 9 residues pruned to eliminate duplicates Z: 16 20.542 1.905 0.446 0.918 1.000 0.800 CA 1.357 16 residues pruned to eliminate duplicates Z: 8 2.601 1.656 0.321 0.268 0.714 0.571 CB 0.819 Z: 12 19.101 1.926 0.837 0.897 0.909 0.636 CB 1.282 12 residues pruned to eliminate duplicates Z: 14 17.515 1.784 0.732 0.826 0.923 0.692 CB 1.284 14 residues pruned to eliminate duplicates Z: 14 16.189 1.600 0.836 0.864 1.000 0.692 CB 1.120 14 residues pruned to eliminate duplicates Z: 11 10.458 1.619 0.282 0.889 1.000 1.000 CA 1.146 11 residues pruned to eliminate duplicates Z: 19 6.327 1.569 0.700 0.391 0.611 0.333 CB 1.028 19 residues pruned to eliminate duplicates Z: 14 31.476 2.097 1.001 0.935 1.000 1.000 CA 1.450 14 residues pruned to eliminate duplicates Z: 11 15.655 1.756 0.580 0.894 1.000 0.600 CB 1.280 11 residues pruned to eliminate duplicates Z: 17 15.442 1.827 0.691 0.476 0.938 0.562 CB 1.366 17 residues pruned to eliminate duplicates Z: 15 13.225 1.816 0.642 0.339 1.000 0.643 CB 1.413 15 residues pruned to eliminate duplicates Z: 7 4.217 1.725 0.085 0.503 1.000 0.667 CB 0.917 Z: 12 14.114 1.614 0.880 0.873 0.909 0.727 CB 1.124 12 residues pruned to eliminate duplicates Z: 11 10.090 1.768 0.601 0.495 0.800 0.400 CB 1.416 11 residues pruned to eliminate duplicates Z: 7 7.825 1.586 0.940 0.706 0.833 0.333 CA 1.032 7 residues pruned to eliminate duplicates Z: 13 21.678 2.022 0.527 0.915 1.000 0.750 CB 1.432 13 residues pruned to eliminate duplicates Z: 8 5.299 1.760 0.072 0.825 0.857 0.571 CB 0.935 7 residues pruned to eliminate duplicates Z: 13 16.234 1.715 0.970 0.896 0.833 0.750 CB 1.193 13 residues pruned to eliminate duplicates Z: 15 28.731 2.011 1.039 0.910 1.000 0.643 CB 1.328 15 residues pruned to eliminate duplicates Z: 64 28.513 1.897 0.725 0.445 0.921 0.556 CB 1.263 64 residues pruned to eliminate duplicates Z: 11 23.374 1.928 1.079 0.905 1.000 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 8 9.340 1.791 0.168 0.824 1.000 1.000 CA 1.274 8 residues pruned to eliminate duplicates Z: 33 20.658 1.814 0.750 0.536 0.906 0.531 CB 1.225 33 residues pruned to eliminate duplicates Z: 16 23.231 1.984 0.507 0.908 1.000 0.800 CA 1.425 16 residues pruned to eliminate duplicates Z: 14 13.823 1.652 0.652 0.829 0.923 0.385 CB 1.146 14 residues pruned to eliminate duplicates Z: 24 13.220 1.862 0.667 0.318 0.957 0.565 CB 1.136 24 residues pruned to eliminate duplicates Z: 15 22.312 1.903 0.524 0.904 1.000 0.786 CA 1.464 15 residues pruned to eliminate duplicates Z: 77 36.426 1.901 0.742 0.542 0.895 0.618 CB 1.354 77 residues pruned to eliminate duplicates Z: 12 16.221 1.836 0.565 0.857 1.000 0.909 CA 1.254 12 residues pruned to eliminate duplicates Z: 15 16.132 1.765 0.634 0.773 0.929 0.714 CA 1.264 15 residues pruned to eliminate duplicates Z: 16 28.877 1.946 1.009 0.906 1.000 0.867 CA 1.356 16 residues pruned to eliminate duplicates Z: 15 21.058 1.953 0.461 0.944 1.000 1.000 CA 1.366 15 residues pruned to eliminate duplicates Z: 8 5.322 1.525 0.684 0.615 0.857 0.571 CA 0.819 8 residues pruned to eliminate duplicates Z: 13 15.985 1.699 0.591 0.918 1.000 0.667 CA 1.204 13 residues pruned to eliminate duplicates Z: 12 9.261 1.824 0.704 0.408 0.818 0.636 CA 1.209 12 residues pruned to eliminate duplicates Z: 16 23.407 1.879 0.764 0.909 1.000 0.800 CA 1.294 16 residues pruned to eliminate duplicates Z: 61 25.180 1.865 0.509 0.548 0.917 0.567 CB 1.203 61 residues pruned to eliminate duplicates Z: 14 13.693 1.550 0.567 0.887 1.000 0.846 CA 1.127 14 residues pruned to eliminate duplicates Z: 14 8.465 1.659 0.619 0.810 0.923 0.846 CB 0.723 14 residues pruned to eliminate duplicates Z: 59 24.931 1.862 0.697 0.398 0.828 0.603 CA 1.395 59 residues pruned to eliminate duplicates 6 1.831 1.668 -0.068 0.299 0.600 0.600 CB 1.098 ? Z: 9 5.345 1.435 0.311 0.650 0.875 0.625 CB 0.998 9 residues pruned to eliminate duplicates Z: 8 4.390 1.562 0.608 0.349 0.857 0.571 CA 0.907 8 residues pruned to eliminate duplicates Z: 16 26.943 1.936 0.790 0.903 1.000 0.733 CA 1.431 16 residues pruned to eliminate duplicates Z: 9 9.885 1.623 0.517 0.756 1.000 0.625 CB 1.130 9 residues pruned to eliminate duplicates Z: 14 12.625 1.595 0.822 0.852 0.846 0.692 CB 1.054 14 residues pruned to eliminate duplicates Z: 13 20.530 1.870 0.753 0.776 1.000 0.583 CA 1.417 13 residues pruned to eliminate duplicates Z: 25 16.196 1.825 0.583 0.684 0.833 0.708 CB 1.160 29 residues pruned to eliminate duplicates Z: 13 14.793 1.787 0.512 0.764 1.000 0.333 CA 1.251 13 residues pruned to eliminate duplicates Z: 13 16.323 1.674 0.750 0.875 1.000 0.917 CB 1.170 13 residues pruned to eliminate duplicates Z: 8 4.113 1.730 0.514 0.331 0.714 0.143 CB 1.000 Z: 9 9.309 1.772 0.291 0.837 0.875 0.750 CB 1.230 9 residues pruned to eliminate duplicates Z: 29 17.381 1.778 0.698 0.564 0.786 0.500 CA 1.301 29 residues pruned to eliminate duplicates Z: 15 12.664 1.630 0.743 0.791 0.929 0.643 CB 0.994 15 residues pruned to eliminate duplicates Z: 10 14.039 1.857 0.527 0.853 0.889 0.444 CB 1.372 10 residues pruned to eliminate duplicates Z: 6 3.969 1.735 -0.032 0.747 1.000 1.000 CB 0.847 6 residues pruned to eliminate duplicates Z: 18 21.315 1.783 0.758 0.897 1.000 0.471 CA 1.180 18 residues pruned to eliminate duplicates Z: 10 8.459 1.734 0.605 0.348 0.889 0.444 CB 1.344 Z: 13 12.698 1.593 0.467 0.878 1.000 0.833 CA 1.138 13 residues pruned to eliminate duplicates Z: 36 27.228 1.964 0.708 0.538 0.943 0.657 CB 1.402 36 residues pruned to eliminate duplicates Z: 10 14.610 1.705 0.866 0.604 1.000 0.667 CB 1.387 10 residues pruned to eliminate duplicates Z: 7 6.731 1.418 0.611 0.749 1.000 0.500 CA 0.963 7 residues pruned to eliminate duplicates Z: 6 7.236 1.773 0.688 0.821 0.800 0.800 CB 1.023 6 residues pruned to eliminate duplicates Z: 6 4.649 1.743 0.115 0.871 1.000 1.000 CB 0.781 6 residues pruned to eliminate duplicates Z: 23 11.723 1.698 0.459 0.400 0.909 0.409 CB 1.233 23 residues pruned to eliminate duplicates Z: 11 17.576 1.871 0.759 0.927 1.000 0.900 CB 1.183 12 residues pruned to eliminate duplicates Z: 27 14.449 1.799 0.630 0.384 0.885 0.538 CB 1.236 27 residues pruned to eliminate duplicates Z: 14 14.919 1.825 0.414 0.918 1.000 0.846 CB 1.130 14 residues pruned to eliminate duplicates Z: 13 22.586 1.948 0.748 0.877 0.917 0.667 CA 1.517 13 residues pruned to eliminate duplicates Z: 50 24.654 1.875 0.641 0.591 0.898 0.653 CB 1.168 40 residues pruned to eliminate duplicates Z: 12 15.578 1.859 0.578 0.890 1.000 0.545 CB 1.151 12 residues pruned to eliminate duplicates Z: 14 24.255 1.819 0.850 0.869 1.000 0.923 CA 1.460 14 residues pruned to eliminate duplicates Z: 17 26.852 1.868 1.015 0.923 1.000 0.812 CA 1.253 17 residues pruned to eliminate duplicates Z: 8 13.494 1.924 0.536 0.786 1.000 0.857 CA 1.342 8 residues pruned to eliminate duplicates Z: 9 8.073 1.772 0.750 0.597 0.875 0.750 CB 0.959 Z: 12 7.263 1.722 0.267 0.471 0.909 0.818 CB 1.137 Z: 10 7.395 1.514 0.603 0.463 0.889 0.667 CA 1.187 6 residues pruned to eliminate duplicates Z: 20 13.293 1.789 0.548 0.665 0.895 0.526 CB 1.056 20 residues pruned to eliminate duplicates Z: 13 15.759 1.726 0.823 0.888 0.917 0.583 CB 1.136 13 residues pruned to eliminate duplicates Z: 12 15.223 1.626 0.701 0.829 1.000 0.636 CB 1.249 12 residues pruned to eliminate duplicates Z: 15 5.872 1.490 0.358 0.469 0.929 0.714 CA 0.862 16 residues pruned to eliminate duplicates Z: 6 6.345 1.598 0.595 0.638 0.800 0.600 CA 1.223 6 residues pruned to eliminate duplicates Z: 13 11.996 1.679 0.284 0.863 1.000 0.917 CA 1.179 13 residues pruned to eliminate duplicates Z: 27 14.112 1.679 0.469 0.507 0.885 0.692 CA 1.260 27 residues pruned to eliminate duplicates Z: 14 21.639 1.807 1.055 0.815 1.000 0.615 CA 1.229 14 residues pruned to eliminate duplicates Z: 14 23.603 1.902 1.137 0.894 0.923 0.692 CB 1.252 14 residues pruned to eliminate duplicates Z: 7 3.361 1.421 -0.083 0.786 1.000 0.333 CB 0.819 Z: 33 29.306 1.974 0.749 0.586 0.969 0.688 CB 1.426 33 residues pruned to eliminate duplicates Z: 42 29.592 1.950 0.778 0.493 0.951 0.537 CA 1.410 42 residues pruned to eliminate duplicates Z: 13 12.404 1.758 0.583 0.820 0.917 0.750 CB 1.063 13 residues pruned to eliminate duplicates Z: 9 5.252 1.717 0.791 0.443 0.875 0.625 CB 0.732 9 residues pruned to eliminate duplicates Z: 20 18.407 1.880 0.725 0.547 0.895 0.526 CB 1.390 20 residues pruned to eliminate duplicates Z: 10 6.050 1.769 0.572 0.341 0.667 0.556 CA 1.293 10 residues pruned to eliminate duplicates Z: 12 7.410 1.575 0.397 0.650 0.818 0.455 CB 1.079 12 residues pruned to eliminate duplicates Z: 20 20.503 1.756 0.907 0.705 1.000 0.632 CB 1.166 11 residues pruned to eliminate duplicates Z: 84 33.828 1.817 0.648 0.599 0.892 0.651 CB 1.266 77 residues pruned to eliminate duplicates Z: 13 16.496 1.839 0.596 0.914 0.917 0.750 CB 1.252 13 residues pruned to eliminate duplicates Z: 10 17.084 2.107 0.894 0.917 1.000 0.556 CB 1.007 10 residues pruned to eliminate duplicates Z: 6 10.175 1.737 0.444 0.755 1.000 1.000 CA 1.446 Z: 9 11.588 1.809 0.399 0.824 1.000 1.000 CA 1.223 9 residues pruned to eliminate duplicates Z: 24 19.672 1.894 0.748 0.501 0.957 0.696 CA 1.294 24 residues pruned to eliminate duplicates Z: 17 26.604 1.951 0.862 0.910 1.000 0.875 CA 1.299 17 residues pruned to eliminate duplicates Z: 15 14.477 1.845 0.773 0.493 0.929 0.786 CA 1.283 15 residues pruned to eliminate duplicates Z: 17 19.092 1.959 0.374 0.765 1.000 0.812 CA 1.401 17 residues pruned to eliminate duplicates Z: 14 20.533 1.747 0.775 0.873 1.000 0.692 CB 1.338 14 residues pruned to eliminate duplicates Z: 55 29.835 1.907 0.906 0.490 0.889 0.481 CA 1.270 55 residues pruned to eliminate duplicates Z: 18 14.385 1.919 0.568 0.535 0.824 0.588 CB 1.360 18 residues pruned to eliminate duplicates 6 1.578 1.537 0.343 0.359 0.800 0.600 CB 0.498 ? Z: 33 12.681 1.794 0.512 0.307 0.812 0.406 CB 1.261 33 residues pruned to eliminate duplicates Z: 25 26.326 1.919 0.796 0.633 0.958 0.625 CA 1.436 25 residues pruned to eliminate duplicates Z: 19 11.668 1.692 0.544 0.439 0.944 0.722 CA 1.188 19 residues pruned to eliminate duplicates Z: 7 6.974 1.632 0.264 0.769 1.000 1.000 CA 1.088 7 residues pruned to eliminate duplicates Z: 6 9.975 1.784 0.637 0.849 1.000 1.000 CA 1.132 6 residues pruned to eliminate duplicates Z: 14 8.281 1.561 0.758 0.418 0.769 0.385 CA 1.185 14 residues pruned to eliminate duplicates Z: 40 21.104 1.889 0.632 0.616 0.821 0.513 CB 1.198 40 residues pruned to eliminate duplicates Z: 16 12.322 1.848 0.894 0.290 0.867 0.333 CA 1.327 16 residues pruned to eliminate duplicates Z: 9 7.545 1.709 0.562 0.804 0.875 0.625 CB 0.876 9 residues pruned to eliminate duplicates Z: 8 14.277 1.814 0.638 0.897 1.000 0.714 CB 1.301 8 residues pruned to eliminate duplicates Z: 9 8.282 1.658 0.137 0.880 1.000 1.000 CB 1.126 9 residues pruned to eliminate duplicates Z: 28 16.594 1.833 0.662 0.652 0.852 0.704 CB 1.069 28 residues pruned to eliminate duplicates Z: 7 5.548 1.560 0.621 0.573 0.833 0.667 CA 1.002 7 residues pruned to eliminate duplicates Z: 17 17.674 1.808 1.020 0.566 0.938 0.750 CA 1.211 17 residues pruned to eliminate duplicates Z: 15 6.610 1.770 0.504 0.311 0.643 0.286 CB 1.272 15 residues pruned to eliminate duplicates Z: 12 9.089 1.893 0.257 0.844 0.727 0.364 CB 1.178 12 residues pruned to eliminate duplicates Z: 6 8.318 1.709 0.475 0.867 1.000 0.800 CA 1.079 6 residues pruned to eliminate duplicates Z: 10 17.735 1.850 1.028 0.917 1.000 0.778 CB 1.113 10 residues pruned to eliminate duplicates Z: 11 15.184 1.673 0.938 0.887 0.900 0.400 CB 1.186 11 residues pruned to eliminate duplicates Z: 7 11.568 1.834 0.387 0.880 1.000 1.000 CA 1.344 7 residues pruned to eliminate duplicates Z: 14 13.689 1.546 0.640 0.930 1.000 0.923 CB 1.046 16 residues pruned to eliminate duplicates Z: 36 16.333 1.829 0.587 0.376 0.886 0.486 CB 1.225 36 residues pruned to eliminate duplicates Z: 28 20.078 1.805 0.924 0.569 0.926 0.481 CB 1.124 28 residues pruned to eliminate duplicates Z: 7 7.411 1.579 0.599 0.616 1.000 0.667 CB 1.074 5 residues pruned to eliminate duplicates Z: 36 23.425 1.959 0.737 0.598 0.771 0.400 CB 1.374 36 residues pruned to eliminate duplicates Z: 6 6.417 1.642 0.977 0.625 0.800 0.800 CB 0.983 Z: 13 17.509 1.759 0.841 0.884 0.833 0.750 CB 1.353 13 residues pruned to eliminate duplicates Z: 15 11.243 1.789 0.630 0.377 0.929 0.714 CB 1.265 15 residues pruned to eliminate duplicates Z: 12 11.475 1.997 -0.012 0.891 1.000 0.909 CB 1.261 12 residues pruned to eliminate duplicates Z: 6 5.807 1.629 1.059 0.512 0.800 0.600 CA 0.956 Z: 15 18.613 1.828 0.554 0.893 1.000 0.500 CB 1.257 15 residues pruned to eliminate duplicates Z: 11 9.842 1.733 0.388 0.427 1.000 0.600 CB 1.395 11 residues pruned to eliminate duplicates Z: 13 23.787 2.042 0.770 0.864 1.000 0.667 CB 1.393 13 residues pruned to eliminate duplicates Z: 8 5.153 1.566 0.484 0.369 0.714 0.429 N 1.351 Z: 13 12.295 1.582 0.337 0.902 1.000 0.917 CB 1.197 13 residues pruned to eliminate duplicates Z: 8 8.551 1.757 0.384 0.858 1.000 0.571 CB 0.978 8 residues pruned to eliminate duplicates Z: 26 10.146 1.732 0.497 0.316 0.880 0.560 CB 1.090 26 residues pruned to eliminate duplicates Z: 12 14.251 1.778 0.734 0.759 0.909 0.727 CB 1.218 12 residues pruned to eliminate duplicates Z: 14 17.464 1.811 0.789 0.763 1.000 0.692 CA 1.183 14 residues pruned to eliminate duplicates Z: 21 13.416 1.775 0.635 0.471 0.900 0.600 CB 1.183 21 residues pruned to eliminate duplicates Z: 6 2.825 1.502 0.357 0.449 0.800 0.400 CB 0.817 6 residues pruned to eliminate duplicates Z: 36 23.470 1.889 0.704 0.559 0.886 0.714 CB 1.315 36 residues pruned to eliminate duplicates Z: 6 6.303 1.610 0.585 0.584 0.800 0.800 O 1.274 Z: 12 16.260 1.893 0.624 0.891 0.909 0.818 CB 1.261 12 residues pruned to eliminate duplicates Z: 6 8.083 1.593 0.423 0.735 1.000 0.600 CA 1.292 7 residues pruned to eliminate duplicates Z: 15 14.501 1.689 0.583 0.787 0.929 0.286 CB 1.213 15 residues pruned to eliminate duplicates Z: 32 12.768 1.676 0.763 0.324 0.774 0.516 CB 1.216 32 residues pruned to eliminate duplicates Z: 11 22.494 1.745 1.278 0.927 1.000 0.900 CB 1.254 11 residues pruned to eliminate duplicates Z: 22 13.061 1.789 0.624 0.587 0.810 0.429 CB 1.114 22 residues pruned to eliminate duplicates Z: 8 6.344 1.583 0.167 0.752 1.000 0.429 CB 1.037 8 residues pruned to eliminate duplicates Z: 13 10.431 1.820 0.602 0.493 0.917 0.667 CB 1.134 13 residues pruned to eliminate duplicates Z: 42 25.247 1.917 0.597 0.511 0.902 0.610 CB 1.411 42 residues pruned to eliminate duplicates Z: 13 17.113 1.857 0.831 0.930 1.000 0.750 CB 1.016 13 residues pruned to eliminate duplicates Z: 11 3.898 1.367 0.408 0.241 0.900 0.400 CB 0.961 11 residues pruned to eliminate duplicates Z: 56 28.398 1.852 0.744 0.491 0.927 0.582 CB 1.291 56 residues pruned to eliminate duplicates Z: 6 10.628 1.742 0.714 0.726 1.000 0.800 CB 1.298 Z: 14 13.600 1.482 0.778 0.861 0.923 0.692 CA 1.139 14 residues pruned to eliminate duplicates Z: 18 13.012 1.826 0.656 0.466 0.882 0.588 CA 1.225 18 residues pruned to eliminate duplicates Z: 13 15.655 1.738 0.652 0.861 1.000 0.500 CB 1.156 13 residues pruned to eliminate duplicates Z: 50 24.478 1.818 0.693 0.498 0.898 0.612 CB 1.268 50 residues pruned to eliminate duplicates Z: 26 19.586 1.860 0.465 0.617 0.960 0.760 CA 1.341 26 residues pruned to eliminate duplicates Z: 52 26.655 1.880 0.669 0.506 0.882 0.569 CA 1.340 52 residues pruned to eliminate duplicates Z: 29 14.880 1.753 0.687 0.337 0.893 0.500 CB 1.273 29 residues pruned to eliminate duplicates Z: 21 12.255 1.669 0.826 0.412 0.800 0.600 CB 1.233 24 residues pruned to eliminate duplicates Z: 12 15.394 1.719 0.730 0.899 0.909 0.727 CA 1.227 12 residues pruned to eliminate duplicates Z: 7 5.345 1.587 0.415 0.492 0.833 0.667 CA 1.175 8 residues pruned to eliminate duplicates Z: 12 11.499 1.663 0.503 0.851 1.000 0.818 CB 1.027 12 residues pruned to eliminate duplicates Z: 57 22.003 1.782 0.733 0.388 0.893 0.518 CB 1.201 85 residues pruned to eliminate duplicates Z: 24 24.963 1.894 0.691 0.676 0.957 0.696 CA 1.445 24 residues pruned to eliminate duplicates Z: 14 27.921 2.094 0.562 0.918 1.000 1.000 CB 1.670 14 residues pruned to eliminate duplicates Z: 11 11.950 1.708 0.849 0.362 1.000 0.700 CB 1.388 11 residues pruned to eliminate duplicates Z: 7 6.505 1.898 0.185 0.804 0.833 0.500 CB 1.086 8 residues pruned to eliminate duplicates Z: 32 18.063 1.839 0.553 0.499 0.935 0.645 CA 1.216 32 residues pruned to eliminate duplicates Z: 22 20.516 1.787 0.719 0.660 0.952 0.762 CB 1.319 22 residues pruned to eliminate duplicates Z: 14 25.504 1.961 0.921 0.856 1.000 0.769 CB 1.385 14 residues pruned to eliminate duplicates Z: 29 22.884 1.953 0.767 0.469 0.929 0.607 CB 1.393 29 residues pruned to eliminate duplicates Z: 10 9.460 1.794 0.352 0.467 1.000 0.667 CA 1.344 10 residues pruned to eliminate duplicates Z: 7 6.365 1.603 0.915 0.685 0.833 0.667 N 0.857 5 residues pruned to eliminate duplicates Z: 12 8.491 1.721 0.359 0.895 0.909 0.455 CB 0.863 12 residues pruned to eliminate duplicates Z: 54 32.640 1.928 0.895 0.596 0.906 0.642 CB 1.236 54 residues pruned to eliminate duplicates Z: 6 3.684 1.530 0.706 0.340 0.600 0.400 CA 1.252 Z: 25 10.485 1.654 0.565 0.334 0.917 0.750 CB 1.082 25 residues pruned to eliminate duplicates Z: 14 7.270 1.595 0.642 0.504 0.846 0.538 CA 0.906 14 residues pruned to eliminate duplicates Z: 8 3.335 1.413 0.291 0.358 0.714 0.429 O 1.128 7 1.848 1.342 0.301 0.253 0.667 0.167 CA 0.861 ? Z: 12 15.494 1.875 0.551 0.904 0.909 0.636 CB 1.258 12 residues pruned to eliminate duplicates Z: 9 8.365 1.776 0.268 0.747 0.875 0.750 CB 1.203 9 residues pruned to eliminate duplicates Z: 10 4.172 1.113 0.603 0.677 0.889 0.222 CA 0.745 Z: 20 27.524 1.970 0.821 0.665 1.000 0.526 CA 1.511 18 residues pruned to eliminate duplicates Z: 16 7.195 1.736 0.488 0.353 0.800 0.400 CA 1.054 16 residues pruned to eliminate duplicates Z: 12 9.400 1.713 0.599 0.526 1.000 0.545 CB 1.009 12 residues pruned to eliminate duplicates Z: 6 3.608 1.502 0.288 0.464 0.800 0.600 CA 1.082 Z: 11 12.794 2.045 0.329 0.898 0.900 0.800 CB 1.184 11 residues pruned to eliminate duplicates Z: 13 9.810 1.744 0.631 0.434 1.000 0.750 CA 1.066 13 residues pruned to eliminate duplicates Z: 12 8.616 1.814 0.452 0.367 0.909 0.545 CB 1.252 12 residues pruned to eliminate duplicates Z: 8 4.601 1.572 0.491 0.464 0.857 0.429 CB 0.898 8 residues pruned to eliminate duplicates Z: 15 32.298 1.992 1.175 0.930 1.000 0.714 CB 1.393 15 residues pruned to eliminate duplicates Z: 12 18.199 1.820 0.798 0.914 1.000 0.909 CB 1.186 12 residues pruned to eliminate duplicates Z: 13 24.718 1.982 0.930 0.896 0.917 0.833 CA 1.457 13 residues pruned to eliminate duplicates Z: 7 9.151 1.841 0.502 0.802 1.000 0.667 CB 1.038 8 residues pruned to eliminate duplicates Z: 13 12.268 1.664 0.638 0.872 0.917 0.833 CA 1.033 13 residues pruned to eliminate duplicates Z: 8 3.272 1.459 0.481 0.175 0.857 0.429 CA 0.990 Z: 15 14.827 1.686 0.528 0.829 1.000 0.571 CA 1.158 15 residues pruned to eliminate duplicates Z: 12 13.644 1.537 0.938 0.876 0.909 0.455 CB 1.104 12 residues pruned to eliminate duplicates Z: 12 8.288 1.691 0.691 0.408 0.818 0.727 CB 1.177 12 residues pruned to eliminate duplicates Z: 8 4.264 1.562 0.733 0.475 0.714 0.714 N 0.855 8 residues pruned to eliminate duplicates Z: 16 19.997 1.902 0.542 0.868 0.933 0.867 CA 1.378 16 residues pruned to eliminate duplicates Z: 7 6.092 1.623 0.409 0.541 0.833 0.333 CA 1.254 7 residues pruned to eliminate duplicates Z: 13 21.114 1.862 1.055 0.920 0.917 0.583 CA 1.223 13 residues pruned to eliminate duplicates Z: 7 5.926 1.717 0.407 0.820 0.833 0.667 CB 0.910 7 residues pruned to eliminate duplicates Z: 23 17.112 1.840 0.753 0.491 0.864 0.727 CB 1.322 23 residues pruned to eliminate duplicates Z: 20 19.799 1.891 0.780 0.525 0.895 0.316 CB 1.471 20 residues pruned to eliminate duplicates Z: 9 4.811 1.428 0.345 0.600 0.875 0.625 CB 0.921 Z: 14 19.081 1.886 0.783 0.918 1.000 0.923 CB 1.110 14 residues pruned to eliminate duplicates Z: 65 29.746 1.833 0.709 0.558 0.906 0.531 CB 1.238 65 residues pruned to eliminate duplicates Z: 13 18.692 1.936 0.926 0.833 0.833 0.583 CA 1.303 13 residues pruned to eliminate duplicates Z: 6 3.144 1.306 0.603 0.293 0.800 0.600 N 1.059 Z: 8 4.918 1.355 0.467 0.400 1.000 0.571 CA 1.039 7 residues pruned to eliminate duplicates Z: 14 16.747 1.854 0.806 0.914 0.923 0.692 CA 1.063 14 residues pruned to eliminate duplicates Z: 8 4.693 1.735 -0.029 0.822 0.857 0.571 CB 0.929 7 residues pruned to eliminate duplicates Z: 10 14.381 1.695 1.199 0.842 1.000 0.889 CB 0.958 10 residues pruned to eliminate duplicates Z: 6 5.135 1.459 0.529 0.713 1.000 0.800 CA 0.849 6 residues pruned to eliminate duplicates Z: 9 6.799 1.752 0.487 0.865 1.000 0.500 CB 0.676 9 residues pruned to eliminate duplicates Z: 39 26.576 1.900 0.870 0.502 0.921 0.553 CB 1.315 39 residues pruned to eliminate duplicates Z: 8 8.458 1.554 0.609 0.526 1.000 0.714 CB 1.246 6 residues pruned to eliminate duplicates Z: 47 24.203 1.912 0.605 0.450 0.935 0.500 CA 1.310 47 residues pruned to eliminate duplicates Z: 11 5.276 1.766 0.320 0.389 0.700 0.500 CB 1.150 11 residues pruned to eliminate duplicates Z: 9 7.476 1.570 0.667 0.493 1.000 0.750 CB 1.017 Z: 8 5.467 1.776 0.304 0.434 0.857 0.571 CA 1.114 8 residues pruned to eliminate duplicates Z: 7 7.108 1.692 0.270 0.756 1.000 0.833 CA 1.075 7 residues pruned to eliminate duplicates Z: 6 4.913 1.589 0.495 0.654 0.800 0.600 CB 1.002 Z: 17 6.307 1.689 0.357 0.391 0.688 0.312 CB 1.124 17 residues pruned to eliminate duplicates Z: 8 11.372 1.760 0.681 0.889 1.000 0.714 CB 1.046 8 residues pruned to eliminate duplicates Z: 14 20.937 1.845 0.885 0.856 1.000 0.615 CA 1.232 14 residues pruned to eliminate duplicates Z: 10 16.639 1.783 0.606 0.889 1.000 0.889 CA 1.394 10 residues pruned to eliminate duplicates Z: 10 4.779 1.815 0.575 0.314 0.778 0.556 CB 0.881 10 residues pruned to eliminate duplicates Z: 66 33.910 1.915 0.597 0.620 0.938 0.615 CB 1.308 65 residues pruned to eliminate duplicates Z: 13 26.374 1.947 1.010 0.923 1.000 0.750 CB 1.367 13 residues pruned to eliminate duplicates Z: 25 15.611 1.741 0.770 0.641 0.833 0.500 CB 1.088 25 residues pruned to eliminate duplicates Z: 15 11.542 1.788 0.590 0.386 0.857 0.500 CA 1.429 15 residues pruned to eliminate duplicates Z: 10 18.671 1.951 0.933 0.922 1.000 0.889 CB 1.160 10 residues pruned to eliminate duplicates Z: 13 12.956 1.930 0.693 0.336 0.917 0.417 CA 1.493 13 residues pruned to eliminate duplicates Z: 36 22.711 1.907 0.618 0.612 0.886 0.686 CB 1.263 36 residues pruned to eliminate duplicates Z: 9 6.421 1.520 0.340 0.626 0.875 0.750 CB 1.131 9 residues pruned to eliminate duplicates Z: 10 5.789 1.481 0.495 0.357 0.889 0.556 O 1.143 10 residues pruned to eliminate duplicates Z: 15 29.822 1.884 1.291 0.910 1.000 0.571 CA 1.309 15 residues pruned to eliminate duplicates Z: 12 11.899 1.681 0.332 0.917 1.000 0.909 CB 1.131 12 residues pruned to eliminate duplicates Z: 13 18.355 1.942 0.578 0.904 1.000 0.833 CA 1.232 13 residues pruned to eliminate duplicates Z: 6 8.839 1.555 0.851 0.784 1.000 1.000 CA 1.070 6 residues pruned to eliminate duplicates Z: 14 22.661 1.925 0.869 0.841 1.000 0.538 CB 1.303 14 residues pruned to eliminate duplicates Z: 14 22.712 1.855 0.793 0.855 1.000 0.615 CB 1.398 14 residues pruned to eliminate duplicates Z: 12 22.139 1.845 1.118 0.943 1.000 0.636 CB 1.184 12 residues pruned to eliminate duplicates Z: 7 3.575 1.682 0.452 0.399 0.667 0.667 CB 0.997 7 residues pruned to eliminate duplicates Z: 25 11.302 1.797 0.654 0.359 0.958 0.458 CB 0.942 25 residues pruned to eliminate duplicates Z: 11 16.407 1.849 0.775 0.831 0.900 0.700 CA 1.319 11 residues pruned to eliminate duplicates Z: 7 9.033 1.724 1.120 0.661 0.833 0.667 CB 1.043 Z: 14 17.574 1.806 0.640 0.855 0.923 0.692 CA 1.315 14 residues pruned to eliminate duplicates Z: 37 26.143 1.932 0.856 0.473 0.917 0.639 CB 1.362 38 residues pruned to eliminate duplicates Z: 30 15.882 1.853 0.694 0.507 0.862 0.586 CB 1.083 30 residues pruned to eliminate duplicates Z: 12 21.183 1.843 1.104 0.927 1.000 0.636 CB 1.154 12 residues pruned to eliminate duplicates Z: 7 4.220 1.572 0.486 0.280 0.833 0.667 CB 1.135 7 residues pruned to eliminate duplicates Z: 9 7.521 1.566 0.422 0.732 1.000 0.500 CB 0.969 9 residues pruned to eliminate duplicates Z: 11 16.148 1.781 0.833 0.910 1.000 0.600 CB 1.109 11 residues pruned to eliminate duplicates Z: 6 4.605 1.429 0.707 0.541 0.800 0.600 O 1.014 Z: 6 2.139 1.619 0.187 0.299 0.600 0.400 CB 1.038 6 residues pruned to eliminate duplicates Z: 12 11.314 1.666 0.743 0.754 0.818 0.727 CB 1.146 12 residues pruned to eliminate duplicates Z: 20 12.693 1.723 0.546 0.468 0.895 0.789 CB 1.262 20 residues pruned to eliminate duplicates Z: 9 2.702 1.476 -0.024 0.322 0.875 0.500 CB 0.923 5 residues pruned to eliminate duplicates Z: 8 2.681 1.247 0.465 0.244 0.857 0.571 CB 0.869 Z: 10 10.922 1.678 0.768 0.877 1.000 0.778 CB 0.891 10 residues pruned to eliminate duplicates Z: 10 17.551 1.938 0.761 0.904 1.000 1.000 CB 1.220 10 residues pruned to eliminate duplicates Z: 16 13.134 1.818 0.566 0.497 0.933 0.800 CA 1.280 16 residues pruned to eliminate duplicates Z: 15 14.276 1.754 0.573 0.883 1.000 0.929 CB 1.000 15 residues pruned to eliminate duplicates Z: 16 16.610 1.854 0.909 0.652 0.933 0.667 CB 1.127 16 residues pruned to eliminate duplicates Z: 15 14.926 1.804 0.544 0.824 0.929 0.786 CB 1.165 15 residues pruned to eliminate duplicates Z: 54 28.568 1.913 0.782 0.448 0.962 0.642 CB 1.262 54 residues pruned to eliminate duplicates Z: 10 20.972 1.999 0.844 0.793 0.889 0.444 CB 1.650 10 residues pruned to eliminate duplicates Z: 69 32.871 1.860 0.796 0.490 0.897 0.471 CA 1.344 69 residues pruned to eliminate duplicates Z: 22 5.672 1.670 0.220 0.234 0.857 0.429 CB 0.965 22 residues pruned to eliminate duplicates Z: 13 15.119 1.689 0.685 0.902 0.917 0.583 CA 1.193 13 residues pruned to eliminate duplicates Z: 12 10.780 1.703 0.546 0.898 1.000 0.909 CB 0.883 12 residues pruned to eliminate duplicates Z: 35 15.546 1.834 0.515 0.331 0.853 0.618 CB 1.354 35 residues pruned to eliminate duplicates Z: 7 3.426 1.476 0.418 0.292 1.000 0.333 CB 0.844 Z: 10 4.987 1.716 0.689 0.230 0.667 0.333 CB 1.178 11 residues pruned to eliminate duplicates Z: 9 2.839 1.577 0.236 0.270 0.625 0.250 CB 1.071 Z: 12 19.365 1.790 0.804 0.906 1.000 0.818 CB 1.285 12 residues pruned to eliminate duplicates Z: 13 17.858 1.823 0.769 0.918 1.000 0.750 CB 1.127 13 residues pruned to eliminate duplicates Z: 10 12.801 1.651 0.840 0.623 0.889 0.667 CB 1.406 6 residues pruned to eliminate duplicates Z: 12 4.471 1.488 0.388 0.392 0.727 0.455 CB 1.006 12 residues pruned to eliminate duplicates Z: 17 10.895 1.730 0.583 0.504 0.875 0.438 CA 1.131 17 residues pruned to eliminate duplicates Z: 15 20.566 2.002 0.637 0.891 1.000 0.857 CA 1.206 15 residues pruned to eliminate duplicates Z: 31 18.408 1.811 0.466 0.554 0.900 0.700 CA 1.335 31 residues pruned to eliminate duplicates Z: 7 2.068 1.380 0.591 0.427 0.500 0.500 CA 0.830 Z: 21 15.288 1.793 0.687 0.603 0.900 0.600 CA 1.138 21 residues pruned to eliminate duplicates Z: 33 19.244 1.806 0.409 0.613 0.938 0.688 CB 1.281 32 residues pruned to eliminate duplicates Z: 7 5.149 1.514 0.604 0.424 0.833 0.500 N 1.123 Z: 7 3.219 1.424 0.305 0.486 0.667 0.500 CB 1.075 Z: 13 16.703 1.757 0.838 0.904 0.917 0.667 CB 1.160 13 residues pruned to eliminate duplicates Z: 6 4.741 1.760 0.329 0.847 1.000 0.800 CB 0.673 6 residues pruned to eliminate duplicates Z: 12 10.341 1.629 0.706 0.848 1.000 0.818 CB 0.832 12 residues pruned to eliminate duplicates Z: 16 11.692 1.801 0.534 0.394 0.933 0.600 CB 1.310 16 residues pruned to eliminate duplicates Z: 8 4.042 1.414 0.272 0.441 0.857 0.571 CB 1.052 Z: 71 32.188 1.879 0.609 0.577 0.900 0.571 CB 1.312 71 residues pruned to eliminate duplicates Z: 12 10.588 1.810 0.375 0.779 0.818 0.545 CB 1.226 12 residues pruned to eliminate duplicates Z: 6 7.089 1.789 0.440 0.844 1.000 0.600 CB 0.916 6 residues pruned to eliminate duplicates Z: 9 18.400 2.156 0.447 0.864 1.000 0.750 CA 1.529 9 residues pruned to eliminate duplicates Z: 10 15.914 1.844 0.842 0.820 0.889 0.778 CA 1.331 10 residues pruned to eliminate duplicates Z: 11 11.843 1.888 0.578 0.865 0.900 0.500 CB 1.023 11 residues pruned to eliminate duplicates Z: 14 14.008 1.577 0.837 0.866 0.923 0.615 CA 1.064 14 residues pruned to eliminate duplicates Z: 8 10.863 1.862 0.507 0.799 1.000 0.429 CA 1.127 8 residues pruned to eliminate duplicates Z: 15 12.504 1.936 0.882 0.389 0.786 0.500 CA 1.313 15 residues pruned to eliminate duplicates Z: 14 17.251 1.778 0.591 0.752 1.000 0.615 CA 1.351 14 residues pruned to eliminate duplicates Z: 6 6.404 1.396 0.876 0.837 1.000 0.800 CB 0.819 6 residues pruned to eliminate duplicates Z: 7 3.207 1.434 0.508 0.406 0.833 0.333 N 0.802 Z: 15 20.724 1.860 0.825 0.637 1.000 0.786 CA 1.435 15 residues pruned to eliminate duplicates Z: 9 9.037 1.695 0.856 0.620 0.875 0.750 CA 1.036 9 residues pruned to eliminate duplicates Z: 6 4.183 1.436 0.238 0.561 1.000 0.400 CA 0.992 Z: 12 19.252 1.862 0.695 0.937 1.000 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 11 6.372 1.645 0.943 0.284 0.800 0.300 CB 1.005 11 residues pruned to eliminate duplicates Z: 12 7.678 1.577 0.671 0.516 0.727 0.636 CA 1.189 11 residues pruned to eliminate duplicates Z: 15 7.938 1.664 0.279 0.557 0.786 0.571 CB 1.200 15 residues pruned to eliminate duplicates Z: 10 6.479 1.678 0.315 0.526 0.778 0.667 CA 1.227 10 residues pruned to eliminate duplicates Z: 6 8.576 1.720 1.032 0.667 0.800 0.800 N 1.176 Z: 17 18.374 1.813 0.936 0.831 0.938 0.500 CB 1.049 17 residues pruned to eliminate duplicates Z: 12 9.210 1.642 0.554 0.444 1.000 0.636 CB 1.153 12 residues pruned to eliminate duplicates Z: 20 25.696 2.051 0.744 0.711 0.947 0.737 CA 1.435 20 residues pruned to eliminate duplicates Z: 8 9.479 1.751 0.440 0.830 1.000 1.000 CB 1.069 8 residues pruned to eliminate duplicates Z: 11 2.691 1.537 0.120 0.307 0.600 0.500 CA 1.021 11 residues pruned to eliminate duplicates Z: 9 10.457 1.727 0.691 0.611 1.000 0.500 CB 1.139 9 residues pruned to eliminate duplicates Z: 6 11.496 1.851 0.675 0.830 1.000 0.800 CB 1.247 6 residues pruned to eliminate duplicates Z: 9 8.506 1.662 0.171 0.868 1.000 0.750 CB 1.130 9 residues pruned to eliminate duplicates Z: 14 11.947 1.795 0.763 0.400 0.923 0.692 CA 1.260 14 residues pruned to eliminate duplicates Z: 9 7.848 1.763 0.332 0.489 1.000 0.875 CA 1.194 9 residues pruned to eliminate duplicates Z: 10 8.855 1.695 0.900 0.414 0.889 0.444 CA 1.128 10 residues pruned to eliminate duplicates Z: 14 13.505 1.773 0.436 0.894 1.000 0.615 CA 1.055 14 residues pruned to eliminate duplicates Z: 12 16.088 1.734 0.727 0.916 1.000 0.818 CB 1.143 12 residues pruned to eliminate duplicates Z: 13 17.236 1.821 0.777 0.906 0.917 0.667 CB 1.193 13 residues pruned to eliminate duplicates Z: 26 19.578 1.900 0.448 0.580 0.920 0.600 CB 1.433 27 residues pruned to eliminate duplicates Z: 9 12.660 1.735 0.558 0.873 0.875 0.625 CB 1.379 9 residues pruned to eliminate duplicates Z: 8 4.452 1.358 0.243 0.566 1.000 0.286 CB 0.935 8 residues pruned to eliminate duplicates Z: 15 10.862 1.886 0.538 0.365 0.857 0.286 CB 1.349 15 residues pruned to eliminate duplicates Z: 13 10.136 1.714 0.363 0.419 1.000 0.750 CB 1.363 13 residues pruned to eliminate duplicates Z: 24 30.729 2.017 1.075 0.699 0.913 0.696 CA 1.399 24 residues pruned to eliminate duplicates Z: 19 6.420 1.597 0.505 0.394 0.833 0.500 CB 0.845 14 residues pruned to eliminate duplicates Z: 45 17.126 1.845 0.443 0.384 0.864 0.523 CB 1.272 45 residues pruned to eliminate duplicates Z: 10 9.735 1.775 0.287 0.579 1.000 0.667 CA 1.317 10 residues pruned to eliminate duplicates Z: 10 5.328 1.559 0.441 0.338 0.889 0.556 CA 1.061 9 residues pruned to eliminate duplicates Z: 12 15.144 1.899 0.420 0.893 1.000 0.818 CA 1.216 12 residues pruned to eliminate duplicates Z: 14 28.480 2.042 0.847 0.946 0.923 0.462 CA 1.569 14 residues pruned to eliminate duplicates Z: 24 19.442 1.946 0.432 0.670 1.000 0.783 CB 1.242 24 residues pruned to eliminate duplicates Z: 10 3.589 1.499 0.455 0.315 0.889 0.556 CB 0.757 Z: 12 8.804 1.662 0.432 0.881 1.000 0.818 CB 0.808 12 residues pruned to eliminate duplicates Z: 11 16.989 1.902 0.576 0.880 1.000 0.800 CA 1.298 11 residues pruned to eliminate duplicates Z: 11 14.318 1.807 0.638 0.885 0.900 0.700 CB 1.228 11 residues pruned to eliminate duplicates Z: 8 6.601 1.454 0.964 0.459 0.714 0.429 CA 1.276 Z: 14 11.969 1.709 0.550 0.707 0.846 0.692 CA 1.228 13 residues pruned to eliminate duplicates Z: 16 14.330 1.804 0.535 0.527 0.933 0.600 CA 1.394 16 residues pruned to eliminate duplicates Z: 44 26.628 1.892 0.672 0.529 0.953 0.628 CB 1.308 44 residues pruned to eliminate duplicates Z: 7 7.792 1.620 0.564 0.725 0.833 0.833 O 1.230 7 residues pruned to eliminate duplicates Z: 15 15.258 1.660 0.739 0.872 1.000 0.643 CB 1.029 15 residues pruned to eliminate duplicates Z: 60 31.476 1.879 0.940 0.536 0.847 0.424 CB 1.280 59 residues pruned to eliminate duplicates Z: 8 7.596 1.727 0.334 0.814 0.857 0.571 CA 1.106 7 residues pruned to eliminate duplicates Z: 8 8.131 1.763 0.260 0.812 1.000 0.714 CB 1.054 8 residues pruned to eliminate duplicates Z: 39 20.996 1.771 0.572 0.543 0.895 0.658 CB 1.310 50 residues pruned to eliminate duplicates Z: 13 16.552 1.909 0.667 0.891 1.000 0.583 CA 1.079 13 residues pruned to eliminate duplicates Z: 16 14.714 1.800 0.639 0.506 1.000 0.667 CA 1.280 16 residues pruned to eliminate duplicates Z: 10 8.677 1.675 0.714 0.548 0.778 0.556 CB 1.237 10 residues pruned to eliminate duplicates Z: 28 20.644 1.925 0.603 0.555 0.926 0.556 CB 1.318 28 residues pruned to eliminate duplicates Z: 12 15.492 1.836 0.458 0.884 1.000 0.636 CB 1.261 12 residues pruned to eliminate duplicates Z: 28 11.767 1.707 0.443 0.350 0.852 0.593 CB 1.269 28 residues pruned to eliminate duplicates Z: 7 8.266 1.907 0.603 0.399 0.833 0.500 CB 1.474 7 residues pruned to eliminate duplicates Z: 9 6.312 1.643 0.821 0.428 0.750 0.625 CB 1.072 9 residues pruned to eliminate duplicates Z: 23 20.032 1.853 0.492 0.700 0.955 0.818 CB 1.349 23 residues pruned to eliminate duplicates Z: 11 10.872 1.669 0.607 0.592 0.900 0.900 CA 1.304 11 residues pruned to eliminate duplicates Z: 9 4.262 1.545 0.332 0.316 0.875 0.625 CB 1.025 Z: 13 17.780 1.912 0.673 0.916 1.000 0.917 CA 1.133 13 residues pruned to eliminate duplicates Z: 9 7.816 1.638 0.516 0.763 0.875 0.750 CB 1.007 9 residues pruned to eliminate duplicates Z: 49 30.153 1.938 0.881 0.489 0.917 0.521 CA 1.316 49 residues pruned to eliminate duplicates Z: 6 8.014 1.651 0.594 0.824 1.000 0.600 CA 1.029 6 residues pruned to eliminate duplicates Z: 10 7.151 1.590 0.240 0.552 0.889 0.667 CB 1.293 10 residues pruned to eliminate duplicates Z: 12 6.813 1.613 0.690 0.391 0.727 0.545 CA 1.163 12 residues pruned to eliminate duplicates Z: 8 4.029 1.339 0.385 0.686 0.857 0.571 CB 0.808 8 residues pruned to eliminate duplicates Z: 16 21.686 2.016 0.640 0.914 1.000 1.000 CA 1.198 16 residues pruned to eliminate duplicates Z: 21 8.087 1.684 0.677 0.556 0.850 0.600 CB 0.713 21 residues pruned to eliminate duplicates Z: 11 7.651 1.714 0.168 0.448 0.900 0.700 CB 1.418 11 residues pruned to eliminate duplicates Z: 40 29.889 1.938 0.802 0.546 0.923 0.564 CA 1.420 40 residues pruned to eliminate duplicates Z: 13 14.950 1.715 0.665 0.877 0.917 0.833 CA 1.197 13 residues pruned to eliminate duplicates Z: 9 3.023 1.384 0.465 0.290 0.625 0.375 CB 1.068 9 residues pruned to eliminate duplicates Z: 7 5.163 1.615 0.425 0.411 1.000 0.667 CA 1.005 7 residues pruned to eliminate duplicates Z: 20 13.887 1.692 0.793 0.329 0.895 0.632 CB 1.417 21 residues pruned to eliminate duplicates Z: 15 15.842 1.752 0.634 0.844 1.000 0.786 CB 1.101 15 residues pruned to eliminate duplicates Z: 8 6.050 1.680 0.397 0.563 0.857 0.571 CB 1.068 8 residues pruned to eliminate duplicates Z: 10 4.283 1.562 0.659 0.344 0.778 0.556 CA 0.840 10 residues pruned to eliminate duplicates Z: 39 23.576 1.883 0.639 0.505 0.921 0.605 CB 1.339 39 residues pruned to eliminate duplicates Z: 12 3.631 1.494 0.612 0.281 0.455 0.364 N 1.281 Z: 8 10.594 1.702 0.653 0.586 1.000 0.429 CB 1.310 8 residues pruned to eliminate duplicates Z: 8 6.786 1.677 0.273 0.389 1.000 0.571 CA 1.351 8 residues pruned to eliminate duplicates Z: 35 24.833 1.909 0.856 0.536 0.882 0.559 CA 1.315 35 residues pruned to eliminate duplicates Z: 15 12.239 1.839 0.781 0.407 0.929 0.571 CB 1.186 15 residues pruned to eliminate duplicates Z: 32 21.147 1.805 0.685 0.554 0.839 0.581 CA 1.412 32 residues pruned to eliminate duplicates Z: 22 20.342 1.833 0.738 0.726 0.952 0.714 CB 1.194 22 residues pruned to eliminate duplicates Z: 13 10.235 1.619 0.630 0.853 0.917 0.833 CB 0.903 13 residues pruned to eliminate duplicates Z: 6 4.585 1.642 0.534 0.470 0.800 0.600 CB 1.049 Z: 7 2.329 1.394 0.651 0.249 0.667 0.667 CB 0.827 6 1.997 1.343 0.191 0.413 0.600 0.600 CA 1.018 ? Z: 9 2.170 1.421 0.663 0.348 0.750 0.375 CB 0.510 9 residues pruned to eliminate duplicates Z: 13 15.075 1.970 0.575 0.857 0.917 0.667 CB 1.128 13 residues pruned to eliminate duplicates Z: 14 8.360 1.693 0.585 0.432 0.846 0.692 CA 1.095 14 residues pruned to eliminate duplicates Z: 56 23.869 1.825 0.723 0.494 0.818 0.545 CB 1.259 56 residues pruned to eliminate duplicates Z: 6 8.049 1.972 0.241 0.749 0.800 0.200 N 1.472 6 residues pruned to eliminate duplicates Z: 6 7.560 1.629 0.497 0.878 1.000 0.800 CA 1.006 6 residues pruned to eliminate duplicates Z: 6 4.581 1.736 0.359 0.721 0.800 0.600 CB 0.889 6 residues pruned to eliminate duplicates Z: 22 9.124 1.715 0.314 0.324 0.857 0.333 CA 1.251 22 residues pruned to eliminate duplicates Z: 37 27.246 1.900 0.761 0.539 0.944 0.556 CA 1.383 37 residues pruned to eliminate duplicates Z: 9 8.141 1.648 0.457 0.810 1.000 1.000 CB 0.915 9 residues pruned to eliminate duplicates Z: 10 3.238 1.243 0.359 0.348 0.778 0.333 N 0.968 Z: 22 24.561 1.867 0.722 0.715 1.000 0.667 CA 1.372 22 residues pruned to eliminate duplicates Z: 79 34.143 1.865 0.710 0.553 0.910 0.487 CB 1.265 73 residues pruned to eliminate duplicates Z: 33 24.796 1.883 0.824 0.477 0.938 0.688 CB 1.394 33 residues pruned to eliminate duplicates Z: 19 7.091 1.678 0.411 0.190 0.833 0.444 CB 1.227 19 residues pruned to eliminate duplicates Z: 13 14.420 1.993 0.071 0.911 1.000 0.917 CA 1.382 13 residues pruned to eliminate duplicates Z: 14 35.903 2.088 1.143 0.938 1.000 0.385 CB 1.548 14 residues pruned to eliminate duplicates Z: 47 35.880 1.965 1.039 0.487 0.935 0.522 CB 1.431 47 residues pruned to eliminate duplicates 6 1.417 1.288 0.312 0.334 0.800 0.400 CB 0.562 ? Z: 30 15.505 1.759 0.438 0.584 0.897 0.552 CB 1.172 30 residues pruned to eliminate duplicates Z: 8 16.427 1.773 1.214 0.826 1.000 0.857 CB 1.192 8 residues pruned to eliminate duplicates Z: 22 16.440 1.788 0.610 0.480 0.952 0.619 CA 1.335 22 residues pruned to eliminate duplicates Z: 33 18.822 1.743 0.886 0.439 0.844 0.469 CA 1.277 33 residues pruned to eliminate duplicates Z: 31 21.157 1.858 0.680 0.440 0.933 0.600 CB 1.411 29 residues pruned to eliminate duplicates Z: 20 22.860 1.828 0.958 0.756 0.947 0.789 CA 1.231 20 residues pruned to eliminate duplicates 1034 residues left after pruning, divided into chains as follows: A: 8 B: 13 C: 16 D: 163 E: 58 F: 15 G: 12 H: 6 I: 9 J: 7 K: 59 L: 13 M: 16 N: 14 O: 8 P: 11 Q: 155 R: 79 S: 58 T: 99 U: 59 V: 90 W: 66 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 53.51 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.363, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.433, Connect. = 0.735 for dens.mod. cycle 2 = 0.300, Contrast = 0.513, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.523, Connect. = 0.761 for dens.mod. cycle 4 = 0.300, Contrast = 0.534, Connect. = 0.764 for dens.mod. cycle 5 = 0.300, Contrast = 0.538, Connect. = 0.765 for dens.mod. cycle 6 = 0.300, Contrast = 0.542, Connect. = 0.767 for dens.mod. cycle 7 = 0.300, Contrast = 0.543, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.545, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.546, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5256 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1290 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 27.878 2.072 0.760 0.898 1.000 0.769 CA 1.517 B: 14 29.268 2.060 0.856 0.891 1.000 0.385 CB 1.527 14 residues pruned to eliminate duplicates C: 15 28.334 2.029 0.913 0.906 1.000 0.429 CB 1.388 D: 10 17.092 2.079 0.913 0.871 0.778 0.333 CB 1.343 10 residues pruned to eliminate duplicates E: 15 19.273 1.873 0.526 0.884 1.000 0.786 CB 1.302 F: 15 30.222 2.080 0.917 0.874 1.000 0.571 CA 1.474 15 residues pruned to eliminate duplicates G: 13 27.101 2.048 0.832 0.925 1.000 0.917 CB 1.463 13 residues pruned to eliminate duplicates H: 15 31.156 2.114 0.795 0.922 1.000 0.857 CA 1.544 15 residues pruned to eliminate duplicates I: 16 23.920 2.084 0.438 0.871 1.000 0.933 CA 1.503 J: 15 17.661 1.848 0.534 0.896 1.000 0.714 CB 1.192 K: 13 28.633 2.082 0.989 0.931 0.917 0.750 CB 1.522 13 residues pruned to eliminate duplicates L: 15 31.460 2.090 0.970 0.914 0.929 0.786 CA 1.556 16 residues pruned to eliminate duplicates M: 15 20.815 2.037 0.498 0.899 1.000 0.929 CA 1.304 N: 16 27.996 2.040 0.631 0.853 1.000 0.733 CA 1.606 16 residues pruned to eliminate duplicates O: 15 34.755 2.091 1.093 0.885 1.000 0.500 CB 1.533 15 residues pruned to eliminate duplicates P: 13 22.469 2.133 0.369 0.851 1.000 0.667 CB 1.645 Q: 14 30.543 2.179 0.784 0.858 1.000 0.538 CA 1.604 14 residues pruned to eliminate duplicates R: 13 23.358 2.041 0.763 0.872 0.917 0.750 CB 1.490 13 residues pruned to eliminate duplicates S: 17 16.433 1.941 0.149 0.910 1.000 0.938 CA 1.306 T: 9 19.430 2.058 0.717 0.853 1.000 0.750 CA 1.437 U: 16 20.139 1.981 0.421 0.899 1.000 0.867 CA 1.320 17 residues pruned to eliminate duplicates V: 10 20.964 2.034 1.053 0.879 0.889 0.444 CB 1.365 W: 13 21.817 2.120 0.469 0.868 0.917 0.750 CA 1.613 13 residues pruned to eliminate duplicates X: 17 27.517 2.092 0.876 0.873 1.000 0.688 CA 1.276 Y: 13 15.934 1.982 0.341 0.910 1.000 0.667 CA 1.227 Z: 15 32.159 2.086 0.921 0.909 1.000 0.786 CA 1.522 15 residues pruned to eliminate duplicates Z: 13 22.447 2.119 0.412 0.846 1.000 0.500 CB 1.609 13 residues pruned to eliminate duplicates Z: 14 18.830 1.982 0.425 0.891 0.923 0.769 CA 1.440 Z: 11 29.321 2.213 0.863 0.905 1.000 0.700 CA 1.601 11 residues pruned to eliminate duplicates Z: 14 23.512 2.030 0.681 0.943 1.000 0.692 CB 1.325 14 residues pruned to eliminate duplicates Z: 15 27.273 2.055 0.740 0.880 1.000 0.500 CA 1.478 15 residues pruned to eliminate duplicates Z: 13 17.150 2.099 0.219 0.893 0.917 0.667 CA 1.515 13 residues pruned to eliminate duplicates Z: 14 25.729 2.107 0.627 0.927 0.923 0.692 CA 1.581 14 residues pruned to eliminate duplicates Z: 14 18.923 2.042 0.542 0.809 0.846 0.692 CB 1.505 14 residues pruned to eliminate duplicates Z: 11 22.650 2.162 0.878 0.836 1.000 0.700 CB 1.321 9 residues pruned to eliminate duplicates Z: 13 29.785 2.061 1.009 0.939 1.000 0.583 CB 1.444 14 residues pruned to eliminate duplicates Z: 14 15.305 1.941 0.581 0.512 0.923 0.538 CA 1.480 Z: 14 21.770 2.003 0.455 0.818 1.000 0.692 CB 1.572 14 residues pruned to eliminate duplicates Z: 19 10.036 1.715 0.511 0.346 0.889 0.500 CB 1.213 Z: 13 23.667 2.055 0.574 0.929 1.000 0.917 CB 1.478 13 residues pruned to eliminate duplicates Z: 16 17.857 1.987 0.251 0.896 1.000 0.867 CA 1.328 15 residues pruned to eliminate duplicates Z: 18 25.546 1.918 0.636 0.911 1.000 0.588 CB 1.400 18 residues pruned to eliminate duplicates Z: 16 24.155 2.046 0.412 0.856 1.000 0.933 CA 1.592 15 residues pruned to eliminate duplicates Z: 7 11.192 1.764 0.875 0.786 0.833 0.500 CA 1.289 Z: 18 14.834 1.825 0.597 0.528 0.941 0.529 CB 1.276 19 residues pruned to eliminate duplicates Z: 13 22.669 2.046 0.777 0.881 0.917 0.667 CB 1.421 Z: 13 22.047 2.052 0.566 0.880 1.000 0.833 CA 1.436 14 residues pruned to eliminate duplicates Z: 14 14.718 1.858 0.651 0.758 0.923 0.769 CA 1.146 Z: 12 23.463 1.987 0.780 0.910 1.000 0.909 CB 1.419 12 residues pruned to eliminate duplicates Z: 15 19.546 1.789 0.570 0.855 1.000 0.643 CA 1.373 Z: 12 20.278 2.124 0.475 0.896 0.909 0.545 CA 1.537 12 residues pruned to eliminate duplicates Z: 12 21.104 2.016 0.593 0.874 1.000 0.818 CA 1.443 11 residues pruned to eliminate duplicates Z: 15 28.818 2.197 0.618 0.860 1.000 0.500 CB 1.593 Z: 24 10.016 1.656 0.509 0.459 0.783 0.696 CA 1.114 Z: 11 19.246 1.997 0.566 0.869 1.000 0.900 CB 1.422 11 residues pruned to eliminate duplicates Z: 17 28.476 2.075 0.583 0.926 1.000 0.812 CA 1.520 17 residues pruned to eliminate duplicates Z: 13 25.754 2.102 0.841 0.884 1.000 0.667 CB 1.388 13 residues pruned to eliminate duplicates Z: 16 20.843 2.035 0.409 0.858 1.000 0.867 CA 1.382 16 residues pruned to eliminate duplicates Z: 17 28.200 2.142 0.701 0.885 0.938 0.750 CA 1.490 16 residues pruned to eliminate duplicates Z: 17 30.914 2.091 0.852 0.827 1.000 0.500 CA 1.504 15 residues pruned to eliminate duplicates Z: 14 17.510 1.946 0.376 0.907 1.000 0.769 CA 1.289 13 residues pruned to eliminate duplicates Z: 14 23.934 1.942 0.852 0.840 1.000 0.846 CA 1.377 Z: 17 24.511 2.058 0.984 0.839 0.938 0.438 CA 1.195 17 residues pruned to eliminate duplicates Z: 40 25.842 2.014 0.481 0.512 0.923 0.590 CB 1.486 17 residues pruned to eliminate duplicates Z: 13 23.487 2.062 0.638 0.893 1.000 0.583 CB 1.441 Z: 45 26.108 1.992 0.577 0.502 0.955 0.591 CA 1.309 4 residues pruned to eliminate duplicates Z: 13 25.746 2.029 0.744 0.859 1.000 0.917 CB 1.546 13 residues pruned to eliminate duplicates Z: 15 33.380 2.145 0.790 0.878 1.000 0.714 CA 1.687 16 residues pruned to eliminate duplicates Z: 17 27.781 2.103 0.744 0.896 1.000 0.750 CA 1.357 17 residues pruned to eliminate duplicates Z: 15 18.188 1.797 0.481 0.925 1.000 0.786 CB 1.282 15 residues pruned to eliminate duplicates Z: 14 22.864 2.013 0.682 0.901 1.000 0.923 CA 1.338 14 residues pruned to eliminate duplicates Z: 15 24.766 2.170 0.420 0.884 1.000 0.857 CA 1.552 15 residues pruned to eliminate duplicates Z: 17 28.808 2.126 0.794 0.869 1.000 0.812 CA 1.379 17 residues pruned to eliminate duplicates Z: 17 18.607 2.002 0.250 0.898 1.000 0.812 CA 1.330 17 residues pruned to eliminate duplicates Z: 10 11.358 1.759 0.415 0.861 1.000 0.889 CB 1.118 Z: 17 22.092 1.967 0.428 0.770 1.000 0.688 CA 1.548 16 residues pruned to eliminate duplicates Z: 16 19.703 2.011 0.329 0.859 1.000 0.800 CA 1.402 16 residues pruned to eliminate duplicates Z: 10 16.438 1.801 0.855 0.908 1.000 1.000 CA 1.164 10 residues pruned to eliminate duplicates Z: 15 17.582 1.998 0.391 0.882 0.929 0.643 CA 1.317 15 residues pruned to eliminate duplicates Z: 12 17.764 2.058 0.496 0.839 1.000 1.000 CA 1.299 Z: 17 13.261 1.936 0.245 0.831 0.938 0.688 CB 1.102 15 residues pruned to eliminate duplicates Z: 7 7.966 1.807 0.580 0.666 1.000 0.500 CA 0.978 7 residues pruned to eliminate duplicates Z: 13 13.836 1.776 0.523 0.886 1.000 0.750 CB 1.066 13 residues pruned to eliminate duplicates Z: 13 20.579 2.031 0.480 0.922 0.917 0.833 CA 1.515 13 residues pruned to eliminate duplicates Z: 12 15.033 2.186 0.138 0.854 0.909 0.818 CB 1.480 12 residues pruned to eliminate duplicates Z: 17 22.268 2.072 0.535 0.890 0.938 0.750 CA 1.343 17 residues pruned to eliminate duplicates Z: 13 15.669 2.097 0.237 0.911 0.917 0.833 CB 1.348 13 residues pruned to eliminate duplicates Z: 14 20.246 1.997 0.569 0.874 1.000 0.769 CA 1.305 14 residues pruned to eliminate duplicates Z: 17 18.816 1.975 0.393 0.930 1.000 0.875 CA 1.196 17 residues pruned to eliminate duplicates Z: 17 15.462 1.907 0.570 0.828 0.875 0.562 CB 1.111 16 residues pruned to eliminate duplicates Z: 13 24.025 2.109 0.489 0.901 1.000 0.917 CA 1.576 13 residues pruned to eliminate duplicates Z: 24 14.473 1.894 0.574 0.487 0.870 0.609 CB 1.180 17 residues pruned to eliminate duplicates Z: 6 8.486 1.869 0.488 0.687 1.000 0.800 CA 1.150 Z: 18 23.009 2.009 0.612 0.878 1.000 0.765 CA 1.250 18 residues pruned to eliminate duplicates Z: 13 22.491 2.079 0.740 0.893 1.000 0.417 CB 1.288 13 residues pruned to eliminate duplicates Z: 16 26.094 2.054 0.865 0.846 0.867 0.333 CA 1.508 16 residues pruned to eliminate duplicates Z: 9 10.219 1.972 0.333 0.850 0.875 0.750 CA 1.164 9 residues pruned to eliminate duplicates Z: 12 16.619 2.006 0.406 0.831 0.909 0.636 CA 1.467 12 residues pruned to eliminate duplicates Z: 15 22.580 2.060 0.627 0.875 1.000 0.857 CA 1.309 17 residues pruned to eliminate duplicates Z: 18 24.041 2.008 0.600 0.849 1.000 0.706 CA 1.345 18 residues pruned to eliminate duplicates Z: 13 18.348 1.859 0.616 0.912 1.000 0.667 CA 1.248 Z: 15 31.868 2.117 0.896 0.901 1.000 0.714 CA 1.514 14 residues pruned to eliminate duplicates Z: 13 24.586 1.993 1.005 0.777 0.917 0.750 CA 1.518 12 residues pruned to eliminate duplicates Z: 25 10.231 1.882 0.481 0.355 0.792 0.250 CB 1.107 Z: 14 26.175 2.041 0.667 0.889 1.000 0.769 CA 1.537 13 residues pruned to eliminate duplicates Z: 14 28.270 2.127 0.645 0.918 0.923 0.538 CA 1.712 14 residues pruned to eliminate duplicates Z: 11 16.974 2.036 0.393 0.888 1.000 0.800 CA 1.362 Z: 11 21.582 1.886 1.092 0.836 0.900 0.700 CA 1.439 11 residues pruned to eliminate duplicates Z: 14 20.729 1.980 0.870 0.817 0.846 0.538 CA 1.394 14 residues pruned to eliminate duplicates Z: 17 29.251 2.084 0.770 0.887 0.938 0.562 CA 1.525 18 residues pruned to eliminate duplicates Z: 14 15.376 1.871 0.598 0.842 0.923 0.692 CB 1.152 14 residues pruned to eliminate duplicates Z: 13 33.506 2.182 0.999 0.913 0.917 0.583 CA 1.712 13 residues pruned to eliminate duplicates Z: 12 15.721 1.962 0.378 0.916 0.909 0.818 CA 1.362 12 residues pruned to eliminate duplicates Z: 13 19.096 1.961 0.588 0.786 1.000 0.750 CB 1.377 12 residues pruned to eliminate duplicates Z: 6 8.120 1.979 0.322 0.581 1.000 0.600 CB 1.284 Z: 10 31.017 2.114 1.374 0.931 1.000 0.778 CB 1.440 10 residues pruned to eliminate duplicates Z: 17 24.683 2.104 0.498 0.866 1.000 0.688 CA 1.433 17 residues pruned to eliminate duplicates Z: 16 32.444 2.185 0.899 0.897 1.000 0.867 CA 1.445 16 residues pruned to eliminate duplicates Z: 13 26.203 2.095 0.718 0.922 1.000 0.750 CA 1.479 13 residues pruned to eliminate duplicates Z: 7 9.338 1.837 0.879 0.844 1.000 0.667 CB 0.822 6 residues pruned to eliminate duplicates Z: 14 17.090 1.961 0.471 0.899 0.923 0.692 CB 1.272 14 residues pruned to eliminate duplicates Z: 12 18.316 1.889 0.440 0.920 1.000 1.000 CB 1.429 12 residues pruned to eliminate duplicates Z: 16 33.973 2.163 0.875 0.908 1.000 0.533 CB 1.536 17 residues pruned to eliminate duplicates Z: 54 31.363 1.964 0.672 0.585 0.906 0.623 CA 1.336 40 residues pruned to eliminate duplicates Z: 6 6.843 1.795 1.221 0.480 0.800 0.600 CB 0.979 Z: 15 25.922 1.912 0.902 0.857 1.000 0.786 CA 1.404 14 residues pruned to eliminate duplicates Z: 12 15.319 1.767 0.543 0.810 0.909 0.727 CB 1.423 11 residues pruned to eliminate duplicates Z: 16 24.661 2.134 0.435 0.885 1.000 0.867 CA 1.501 16 residues pruned to eliminate duplicates Z: 12 22.790 1.968 0.693 0.918 1.000 0.727 CB 1.455 12 residues pruned to eliminate duplicates Z: 28 23.502 2.084 0.523 0.474 0.926 0.630 CB 1.581 16 residues pruned to eliminate duplicates Z: 12 20.289 1.936 0.842 0.886 0.909 0.727 CA 1.361 11 residues pruned to eliminate duplicates Z: 12 16.241 1.914 0.411 0.916 1.000 0.818 CB 1.281 Z: 63 34.606 2.020 0.584 0.548 0.919 0.581 CA 1.425 54 residues pruned to eliminate duplicates Z: 16 25.077 2.037 0.488 0.858 1.000 0.867 CA 1.573 16 residues pruned to eliminate duplicates Z: 15 13.016 1.955 0.064 0.862 1.000 0.643 CA 1.228 15 residues pruned to eliminate duplicates Z: 12 22.032 1.978 0.704 0.924 1.000 0.909 CA 1.383 12 residues pruned to eliminate duplicates Z: 14 16.442 1.979 0.673 0.811 0.846 0.846 CA 1.242 14 residues pruned to eliminate duplicates Z: 13 21.793 2.062 0.576 0.894 0.917 0.583 CB 1.515 13 residues pruned to eliminate duplicates Z: 10 22.259 1.990 1.060 0.889 1.000 0.778 CB 1.303 10 residues pruned to eliminate duplicates Z: 25 21.145 2.013 0.501 0.625 0.917 0.792 CB 1.385 15 residues pruned to eliminate duplicates Z: 17 11.089 1.793 0.624 0.302 0.875 0.688 CB 1.357 Z: 54 38.419 2.054 0.740 0.600 0.925 0.585 CA 1.451 55 residues pruned to eliminate duplicates Z: 13 19.798 2.048 0.406 0.856 1.000 0.750 CA 1.464 13 residues pruned to eliminate duplicates Z: 12 20.904 2.159 0.750 0.903 0.909 0.455 CB 1.308 12 residues pruned to eliminate duplicates Z: 33 26.334 2.007 0.718 0.573 0.938 0.594 CA 1.342 33 residues pruned to eliminate duplicates Z: 54 32.310 2.033 0.564 0.544 0.906 0.491 CB 1.476 52 residues pruned to eliminate duplicates Z: 16 19.185 2.081 0.214 0.848 0.933 0.733 CA 1.558 16 residues pruned to eliminate duplicates Z: 17 30.215 2.013 0.696 0.914 1.000 0.812 CA 1.565 17 residues pruned to eliminate duplicates Z: 16 18.952 1.973 0.471 0.902 1.000 0.933 CA 1.203 16 residues pruned to eliminate duplicates Z: 33 23.477 2.054 0.422 0.461 0.938 0.719 CA 1.577 28 residues pruned to eliminate duplicates Z: 14 20.216 1.882 0.746 0.805 0.923 0.154 CA 1.417 14 residues pruned to eliminate duplicates Z: 14 20.081 2.063 0.474 0.873 1.000 0.692 CB 1.334 14 residues pruned to eliminate duplicates Z: 14 19.295 1.931 0.753 0.849 0.923 0.615 CA 1.270 14 residues pruned to eliminate duplicates Z: 26 20.459 1.859 0.652 0.652 0.920 0.520 CB 1.257 Z: 15 14.990 1.702 0.478 0.904 1.000 0.929 CA 1.134 15 residues pruned to eliminate duplicates Z: 11 19.058 2.112 0.431 0.893 1.000 0.800 CA 1.432 11 residues pruned to eliminate duplicates Z: 12 29.540 2.014 1.071 0.917 1.000 0.636 CA 1.506 12 residues pruned to eliminate duplicates Z: 6 10.119 1.735 0.828 0.793 1.000 0.600 CA 1.104 Z: 12 14.197 2.032 0.428 0.780 0.909 0.727 CA 1.267 12 residues pruned to eliminate duplicates Z: 15 20.250 1.830 0.544 0.892 1.000 0.786 CA 1.376 15 residues pruned to eliminate duplicates Z: 13 30.267 2.008 1.070 0.922 0.917 0.417 CB 1.612 12 residues pruned to eliminate duplicates Z: 17 24.138 2.099 0.703 0.871 1.000 0.875 CA 1.231 17 residues pruned to eliminate duplicates Z: 17 24.392 1.916 0.693 0.841 0.938 0.500 CA 1.496 17 residues pruned to eliminate duplicates Z: 10 19.627 1.958 1.086 0.911 1.000 1.000 CA 1.136 Z: 13 20.676 1.973 0.840 0.932 0.917 0.833 CB 1.253 13 residues pruned to eliminate duplicates Z: 9 11.031 1.672 0.535 0.782 1.000 0.875 CB 1.186 9 residues pruned to eliminate duplicates Z: 12 19.449 2.034 0.438 0.888 1.000 0.909 CB 1.444 12 residues pruned to eliminate duplicates Z: 12 17.374 1.945 0.432 0.925 1.000 0.818 CB 1.320 12 residues pruned to eliminate duplicates Z: 17 18.347 1.948 0.490 0.894 0.875 0.500 CA 1.295 17 residues pruned to eliminate duplicates Z: 40 27.780 1.988 0.693 0.597 0.923 0.667 CA 1.305 40 residues pruned to eliminate duplicates Z: 10 10.663 2.008 0.572 0.457 0.889 0.444 CB 1.324 Z: 13 23.109 2.040 0.807 0.823 1.000 0.917 CA 1.368 13 residues pruned to eliminate duplicates Z: 7 14.928 1.910 0.714 0.716 1.000 1.000 CA 1.530 Z: 13 15.270 1.933 0.447 0.892 0.833 0.750 CB 1.359 13 residues pruned to eliminate duplicates Z: 59 36.450 2.018 0.601 0.543 0.948 0.534 CA 1.498 37 residues pruned to eliminate duplicates Z: 6 10.910 1.763 0.631 0.808 1.000 0.800 CA 1.297 Z: 13 17.680 2.023 0.728 0.725 0.917 0.500 CA 1.300 13 residues pruned to eliminate duplicates Z: 17 27.723 2.110 0.670 0.884 1.000 0.500 CA 1.422 17 residues pruned to eliminate duplicates Z: 10 17.002 1.815 0.698 0.787 1.000 0.667 CA 1.429 15 residues pruned to eliminate duplicates Z: 53 29.963 2.044 0.521 0.500 0.923 0.558 CA 1.449 53 residues pruned to eliminate duplicates Z: 16 15.976 1.914 0.589 0.506 0.933 0.800 CA 1.445 6 residues pruned to eliminate duplicates Z: 13 26.617 2.020 0.947 0.798 1.000 0.667 CA 1.506 13 residues pruned to eliminate duplicates Z: 15 31.510 2.116 0.740 0.917 1.000 0.929 CA 1.614 15 residues pruned to eliminate duplicates Z: 17 23.659 2.031 0.668 0.903 1.000 0.875 CA 1.245 15 residues pruned to eliminate duplicates Z: 15 15.892 1.787 0.632 0.806 1.000 0.500 CB 1.115 15 residues pruned to eliminate duplicates Z: 13 22.476 2.007 0.604 0.920 1.000 0.750 CB 1.419 13 residues pruned to eliminate duplicates Z: 15 19.153 1.992 0.477 0.891 1.000 0.857 CA 1.251 15 residues pruned to eliminate duplicates Z: 13 12.589 2.025 0.566 0.829 0.667 0.167 CB 1.294 13 residues pruned to eliminate duplicates Z: 53 26.371 2.034 0.561 0.456 0.904 0.500 CB 1.333 44 residues pruned to eliminate duplicates Z: 38 24.576 2.051 0.585 0.504 0.865 0.622 CB 1.431 38 residues pruned to eliminate duplicates Z: 18 24.122 2.019 0.707 0.893 1.000 0.882 CA 1.218 18 residues pruned to eliminate duplicates Z: 17 29.725 2.135 0.657 0.909 1.000 0.625 CA 1.491 18 residues pruned to eliminate duplicates Z: 8 10.872 1.885 0.540 0.498 1.000 0.714 CB 1.417 8 residues pruned to eliminate duplicates Z: 12 15.103 1.878 0.516 0.874 0.909 0.818 CA 1.280 12 residues pruned to eliminate duplicates Z: 13 20.660 2.000 0.625 0.922 0.917 0.500 CA 1.408 12 residues pruned to eliminate duplicates Z: 64 32.854 1.979 0.587 0.549 0.921 0.635 CB 1.365 65 residues pruned to eliminate duplicates Z: 15 12.724 1.912 0.592 0.423 0.857 0.571 CB 1.413 Z: 8 8.478 1.846 0.153 0.816 0.857 0.571 CB 1.335 Z: 14 16.081 1.913 0.440 0.818 1.000 0.769 CA 1.228 14 residues pruned to eliminate duplicates Z: 14 19.483 2.022 0.501 0.877 0.923 0.615 CA 1.401 14 residues pruned to eliminate duplicates Z: 17 20.994 2.091 0.318 0.884 0.875 0.688 CB 1.573 17 residues pruned to eliminate duplicates Z: 14 28.562 2.104 0.799 0.924 1.000 0.846 CA 1.470 14 residues pruned to eliminate duplicates Z: 54 31.073 2.056 0.489 0.576 0.906 0.642 CB 1.431 54 residues pruned to eliminate duplicates Z: 56 37.738 2.046 0.617 0.592 0.945 0.545 CB 1.490 56 residues pruned to eliminate duplicates Z: 12 20.863 1.959 0.635 0.925 1.000 0.909 CA 1.378 12 residues pruned to eliminate duplicates Z: 11 7.719 1.764 0.584 0.387 0.900 0.500 CB 1.094 9 residues pruned to eliminate duplicates Z: 13 21.590 2.047 0.704 0.928 1.000 0.500 CB 1.252 13 residues pruned to eliminate duplicates Z: 25 13.806 1.709 0.389 0.438 1.000 0.625 CB 1.266 24 residues pruned to eliminate duplicates Z: 21 22.965 2.044 0.862 0.687 0.950 0.750 CB 1.196 10 residues pruned to eliminate duplicates Z: 17 27.157 2.034 0.460 0.933 1.000 0.875 CB 1.595 17 residues pruned to eliminate duplicates Z: 11 20.949 1.942 0.782 0.913 1.000 0.700 CA 1.354 11 residues pruned to eliminate duplicates Z: 16 23.197 2.140 0.460 0.853 1.000 0.800 CA 1.417 16 residues pruned to eliminate duplicates Z: 14 24.203 1.980 0.804 0.889 0.923 0.462 CA 1.466 14 residues pruned to eliminate duplicates Z: 14 15.986 1.999 0.300 0.849 0.923 0.692 CA 1.371 14 residues pruned to eliminate duplicates Z: 15 25.678 2.055 0.660 0.886 0.929 0.714 CA 1.562 15 residues pruned to eliminate duplicates Z: 67 33.085 2.035 0.659 0.505 0.894 0.621 CB 1.343 56 residues pruned to eliminate duplicates Z: 12 18.524 1.875 0.619 0.807 1.000 0.727 CB 1.408 12 residues pruned to eliminate duplicates Z: 17 20.516 2.012 0.268 0.922 1.000 1.000 CA 1.414 17 residues pruned to eliminate duplicates Z: 14 15.383 1.892 0.376 0.907 1.000 0.769 CB 1.165 14 residues pruned to eliminate duplicates Z: 13 28.054 2.087 0.795 0.919 1.000 0.750 CA 1.524 13 residues pruned to eliminate duplicates Z: 12 11.334 1.836 0.392 0.453 0.909 0.727 O 1.543 12 residues pruned to eliminate duplicates Z: 15 17.693 1.731 0.571 0.832 1.000 0.643 CA 1.305 15 residues pruned to eliminate duplicates Z: 8 9.295 1.885 0.069 0.818 1.000 0.429 CB 1.323 8 residues pruned to eliminate duplicates Z: 8 6.188 1.670 0.373 0.471 1.000 1.000 CB 1.050 Z: 7 3.273 1.746 0.532 0.526 0.667 0.500 CB 0.730 6 residues pruned to eliminate duplicates Z: 14 14.232 1.708 0.755 0.860 0.846 0.769 CA 1.145 14 residues pruned to eliminate duplicates Z: 16 11.000 1.837 0.381 0.400 0.867 0.733 CB 1.435 16 residues pruned to eliminate duplicates Z: 20 26.637 2.174 0.618 0.741 0.947 0.737 CB 1.477 20 residues pruned to eliminate duplicates Z: 81 33.633 1.958 0.689 0.461 0.900 0.588 CB 1.315 63 residues pruned to eliminate duplicates Z: 8 11.452 1.810 0.726 0.812 0.857 0.714 CA 1.232 Z: 13 15.084 2.096 0.025 0.828 1.000 0.917 CA 1.526 13 residues pruned to eliminate duplicates Z: 68 39.483 2.052 0.711 0.523 0.955 0.657 CB 1.407 71 residues pruned to eliminate duplicates Z: 13 17.646 1.900 0.611 0.853 0.917 0.833 CA 1.343 13 residues pruned to eliminate duplicates Z: 11 7.273 1.838 0.453 0.373 0.900 0.600 CB 1.096 11 residues pruned to eliminate duplicates Z: 42 26.562 1.966 0.607 0.476 0.927 0.561 CA 1.452 42 residues pruned to eliminate duplicates Z: 9 4.799 1.788 0.059 0.318 0.750 0.625 CA 1.461 Z: 13 19.257 1.776 0.626 0.922 1.000 0.917 CB 1.353 13 residues pruned to eliminate duplicates Z: 76 34.594 1.977 0.459 0.579 0.947 0.560 CB 1.355 42 residues pruned to eliminate duplicates Z: 39 23.258 2.008 0.576 0.484 0.895 0.553 CB 1.354 39 residues pruned to eliminate duplicates Z: 28 14.607 1.874 0.581 0.439 0.852 0.667 CA 1.186 28 residues pruned to eliminate duplicates Z: 7 8.801 1.599 0.333 0.819 1.000 0.833 CB 1.278 6 residues pruned to eliminate duplicates Z: 13 21.607 2.027 0.975 0.800 0.917 0.667 CA 1.307 13 residues pruned to eliminate duplicates Z: 6 8.937 1.876 0.473 0.833 1.000 0.600 CA 1.085 6 residues pruned to eliminate duplicates Z: 9 16.449 2.069 0.697 0.882 1.000 0.875 CA 1.198 9 residues pruned to eliminate duplicates Z: 16 19.209 2.074 0.111 0.934 1.000 0.800 CA 1.501 16 residues pruned to eliminate duplicates Z: 11 17.290 2.074 0.531 0.786 0.900 0.400 CB 1.488 11 residues pruned to eliminate duplicates Z: 75 33.624 1.989 0.710 0.456 0.892 0.635 CB 1.348 75 residues pruned to eliminate duplicates Z: 13 3.363 1.511 0.485 0.266 0.750 0.417 CB 0.753 Z: 34 17.711 1.940 0.555 0.476 0.848 0.576 CB 1.234 34 residues pruned to eliminate duplicates Z: 6 11.492 1.781 0.595 0.760 1.000 0.800 N 1.436 Z: 16 24.400 2.020 0.673 0.856 0.867 0.333 CA 1.586 16 residues pruned to eliminate duplicates Z: 20 23.503 1.825 0.950 0.735 1.000 0.579 CB 1.227 Z: 10 10.949 1.726 0.259 0.863 1.000 0.778 CA 1.233 Z: 15 16.000 1.813 0.516 0.802 1.000 0.500 CA 1.195 15 residues pruned to eliminate duplicates Z: 52 29.145 1.977 0.627 0.500 0.882 0.608 CB 1.438 52 residues pruned to eliminate duplicates Z: 12 17.806 1.896 0.658 0.827 1.000 0.727 CA 1.287 12 residues pruned to eliminate duplicates Z: 13 16.933 1.844 0.453 0.902 1.000 0.750 CB 1.302 13 residues pruned to eliminate duplicates Z: 11 13.025 1.656 0.572 0.847 1.000 0.700 CA 1.175 10 residues pruned to eliminate duplicates Z: 12 17.647 1.969 0.530 0.912 1.000 1.000 CA 1.250 12 residues pruned to eliminate duplicates Z: 43 25.187 2.013 0.566 0.492 0.929 0.667 CA 1.339 43 residues pruned to eliminate duplicates Z: 11 20.953 2.031 0.617 0.932 1.000 0.800 CA 1.409 11 residues pruned to eliminate duplicates Z: 42 25.878 1.809 0.642 0.621 0.976 0.659 CB 1.244 33 residues pruned to eliminate duplicates Z: 28 20.268 1.887 0.498 0.567 0.926 0.630 CA 1.397 14 residues pruned to eliminate duplicates Z: 28 27.926 2.037 0.656 0.605 0.963 0.519 CA 1.498 28 residues pruned to eliminate duplicates Z: 6 3.977 1.786 0.223 0.471 0.800 0.600 CB 1.049 6 residues pruned to eliminate duplicates Z: 14 19.124 1.897 0.704 0.915 1.000 0.692 CB 1.160 17 residues pruned to eliminate duplicates Z: 23 9.956 1.837 0.460 0.501 0.727 0.500 CB 1.087 27 residues pruned to eliminate duplicates Z: 16 32.854 2.186 0.895 0.900 0.933 0.600 CA 1.568 16 residues pruned to eliminate duplicates Z: 71 35.780 2.023 0.606 0.511 0.900 0.471 CB 1.446 64 residues pruned to eliminate duplicates Z: 18 14.149 1.899 0.325 0.862 0.941 0.765 CA 1.063 18 residues pruned to eliminate duplicates Z: 13 13.975 1.990 0.416 0.935 1.000 0.917 CA 0.998 13 residues pruned to eliminate duplicates Z: 14 14.446 1.881 0.694 0.842 0.769 0.462 CA 1.219 14 residues pruned to eliminate duplicates Z: 9 10.323 1.895 0.447 0.845 0.875 0.500 CA 1.131 9 residues pruned to eliminate duplicates Z: 13 15.921 2.048 0.226 0.890 0.917 0.833 CA 1.437 13 residues pruned to eliminate duplicates Z: 16 31.844 2.116 0.849 0.862 1.000 0.733 CA 1.543 16 residues pruned to eliminate duplicates Z: 62 33.559 1.955 0.707 0.447 0.902 0.525 CA 1.507 41 residues pruned to eliminate duplicates Z: 42 42.351 2.103 0.877 0.638 0.951 0.537 CA 1.548 28 residues pruned to eliminate duplicates Z: 14 17.373 1.725 0.830 0.746 1.000 0.538 CA 1.224 14 residues pruned to eliminate duplicates Z: 13 20.067 1.908 0.576 0.928 1.000 0.833 CB 1.349 13 residues pruned to eliminate duplicates Z: 50 39.153 2.103 0.783 0.631 0.918 0.449 CB 1.437 47 residues pruned to eliminate duplicates Z: 11 15.191 2.065 0.113 0.915 1.000 1.000 CA 1.478 11 residues pruned to eliminate duplicates Z: 33 21.731 1.975 0.660 0.525 0.875 0.531 CB 1.306 33 residues pruned to eliminate duplicates Z: 44 30.532 2.026 0.533 0.632 0.930 0.628 CB 1.423 41 residues pruned to eliminate duplicates Z: 7 7.761 1.958 0.040 0.837 0.833 0.333 CA 1.395 Z: 10 5.125 1.525 0.122 0.464 0.889 0.556 O 1.165 8 residues pruned to eliminate duplicates Z: 9 5.823 1.528 0.257 0.785 0.750 0.500 CA 1.112 7 residues pruned to eliminate duplicates Z: 17 28.065 2.008 0.687 0.908 0.938 0.625 CA 1.569 17 residues pruned to eliminate duplicates Z: 35 24.610 1.970 0.613 0.565 0.882 0.529 CB 1.413 35 residues pruned to eliminate duplicates Z: 17 21.454 1.984 0.512 0.922 0.938 0.562 CA 1.341 17 residues pruned to eliminate duplicates Z: 10 20.529 2.002 0.828 0.890 1.000 0.778 CA 1.345 10 residues pruned to eliminate duplicates Z: 59 31.559 1.982 0.652 0.518 0.914 0.603 CB 1.360 35 residues pruned to eliminate duplicates Z: 11 18.556 1.987 0.738 0.916 0.900 0.800 CA 1.334 11 residues pruned to eliminate duplicates Z: 6 7.145 1.870 -0.037 0.870 1.000 1.000 CA 1.295 6 residues pruned to eliminate duplicates Z: 43 28.996 2.068 0.593 0.534 0.929 0.619 CB 1.415 43 residues pruned to eliminate duplicates Z: 17 21.865 1.902 0.790 0.872 0.875 0.688 CA 1.337 17 residues pruned to eliminate duplicates Z: 10 7.095 1.972 -0.008 0.432 1.000 0.667 CB 1.297 10 residues pruned to eliminate duplicates Z: 34 15.784 1.918 0.473 0.543 0.879 0.758 CB 1.061 34 residues pruned to eliminate duplicates Z: 11 15.067 1.904 0.430 0.910 1.000 0.300 CB 1.241 11 residues pruned to eliminate duplicates Z: 78 37.050 2.025 0.705 0.491 0.896 0.584 CB 1.376 76 residues pruned to eliminate duplicates Z: 14 7.680 1.507 0.401 0.455 0.923 0.462 CB 1.144 14 residues pruned to eliminate duplicates Z: 32 21.690 1.916 0.506 0.603 0.903 0.613 CB 1.355 32 residues pruned to eliminate duplicates Z: 76 39.118 1.964 0.645 0.624 0.947 0.627 CB 1.314 67 residues pruned to eliminate duplicates Z: 10 19.598 1.947 0.858 0.907 0.889 0.667 CA 1.443 10 residues pruned to eliminate duplicates Z: 15 21.812 1.960 0.664 0.867 0.929 0.643 CA 1.408 15 residues pruned to eliminate duplicates Z: 14 9.890 1.734 0.443 0.484 0.923 0.769 CA 1.207 Z: 6 5.394 1.458 0.603 0.859 0.800 0.800 CB 0.949 6 residues pruned to eliminate duplicates Z: 6 9.337 1.947 0.332 0.861 1.000 0.400 CA 1.182 7 residues pruned to eliminate duplicates Z: 16 24.233 2.134 0.676 0.917 1.000 0.800 CA 1.234 16 residues pruned to eliminate duplicates Z: 43 29.213 1.997 0.588 0.621 0.905 0.595 CB 1.401 43 residues pruned to eliminate duplicates Z: 9 10.494 1.894 0.431 0.461 1.000 0.625 CA 1.425 9 residues pruned to eliminate duplicates Z: 18 26.600 2.019 0.865 0.866 0.941 0.882 CA 1.333 18 residues pruned to eliminate duplicates Z: 15 9.485 1.943 0.300 0.402 0.786 0.357 CB 1.417 15 residues pruned to eliminate duplicates Z: 12 9.670 1.561 0.386 0.894 0.909 0.818 CA 1.063 12 residues pruned to eliminate duplicates Z: 7 7.733 1.810 0.222 0.848 1.000 0.833 CA 1.059 6 residues pruned to eliminate duplicates Z: 10 17.006 1.890 0.936 0.834 0.889 0.667 CB 1.306 10 residues pruned to eliminate duplicates Z: 18 25.467 2.024 0.778 0.888 1.000 0.824 CA 1.237 18 residues pruned to eliminate duplicates Z: 14 12.823 1.911 0.699 0.282 0.923 0.538 CB 1.518 14 residues pruned to eliminate duplicates Z: 6 5.579 1.751 0.399 0.751 1.000 0.800 CA 0.814 Z: 50 30.895 2.010 0.574 0.570 0.918 0.571 CA 1.420 53 residues pruned to eliminate duplicates Z: 27 19.556 1.874 0.582 0.660 0.885 0.654 CB 1.261 27 residues pruned to eliminate duplicates Z: 7 9.013 1.853 0.529 0.628 0.833 0.667 CA 1.382 Z: 16 21.624 2.017 0.496 0.871 1.000 0.800 CA 1.349 16 residues pruned to eliminate duplicates Z: 6 6.275 1.511 0.543 0.797 0.800 0.400 CA 1.159 6 residues pruned to eliminate duplicates Z: 12 22.858 1.890 1.093 0.904 1.000 0.909 CA 1.241 12 residues pruned to eliminate duplicates Z: 60 37.802 2.053 0.505 0.611 0.983 0.644 CB 1.459 61 residues pruned to eliminate duplicates Z: 12 10.979 1.692 0.203 0.901 1.000 0.909 CB 1.160 Z: 17 28.212 2.062 0.955 0.889 1.000 0.750 CA 1.259 17 residues pruned to eliminate duplicates Z: 8 9.162 1.835 0.363 0.844 0.857 0.429 CA 1.203 8 residues pruned to eliminate duplicates Z: 13 22.293 1.879 0.838 0.908 1.000 0.833 CA 1.324 13 residues pruned to eliminate duplicates Z: 26 19.419 1.938 0.491 0.624 0.920 0.760 CA 1.300 26 residues pruned to eliminate duplicates Z: 20 11.267 1.846 0.463 0.315 0.895 0.526 CB 1.312 20 residues pruned to eliminate duplicates Z: 47 32.227 2.011 0.662 0.600 0.913 0.652 CA 1.416 47 residues pruned to eliminate duplicates Z: 9 10.629 1.899 0.845 0.846 0.875 0.875 CB 0.910 9 residues pruned to eliminate duplicates Z: 12 15.505 1.963 0.385 0.886 0.909 0.727 CB 1.365 12 residues pruned to eliminate duplicates Z: 29 21.847 2.027 0.760 0.537 0.786 0.679 CA 1.421 32 residues pruned to eliminate duplicates Z: 7 2.673 1.517 0.027 0.367 0.833 0.667 C 0.970 Z: 10 25.129 2.013 1.251 0.916 1.000 1.000 CA 1.305 10 residues pruned to eliminate duplicates Z: 13 26.268 2.083 0.613 0.911 1.000 0.583 CB 1.600 13 residues pruned to eliminate duplicates Z: 28 17.427 1.858 0.510 0.568 0.889 0.667 CA 1.259 28 residues pruned to eliminate duplicates Z: 6 14.125 1.793 0.817 0.790 1.000 1.000 CA 1.502 6 residues pruned to eliminate duplicates Z: 35 24.266 2.042 0.459 0.492 0.971 0.618 CB 1.450 34 residues pruned to eliminate duplicates Z: 61 23.849 1.899 0.468 0.447 0.883 0.533 CA 1.320 44 residues pruned to eliminate duplicates Z: 26 14.236 1.867 0.464 0.562 0.840 0.680 CA 1.169 26 residues pruned to eliminate duplicates Z: 38 18.435 1.919 0.572 0.477 0.865 0.568 CB 1.188 37 residues pruned to eliminate duplicates Z: 7 4.543 1.698 0.070 0.616 0.833 0.500 CB 1.098 Z: 31 28.487 2.027 0.682 0.564 1.000 0.433 CA 1.433 31 residues pruned to eliminate duplicates Z: 9 13.129 1.706 0.746 0.833 1.000 0.625 CA 1.169 8 residues pruned to eliminate duplicates Z: 12 19.803 1.687 0.974 0.868 0.909 0.636 C 1.442 12 residues pruned to eliminate duplicates Z: 8 7.413 1.804 0.492 0.606 0.857 0.714 CB 1.097 Z: 26 14.444 1.799 0.592 0.397 0.920 0.520 CB 1.222 26 residues pruned to eliminate duplicates Z: 49 36.558 2.042 0.754 0.577 0.917 0.583 CA 1.492 49 residues pruned to eliminate duplicates Z: 11 8.185 1.854 0.205 0.755 0.700 0.300 CB 1.319 8 residues pruned to eliminate duplicates Z: 15 21.241 1.972 0.687 0.905 1.000 0.929 CA 1.215 15 residues pruned to eliminate duplicates Z: 13 14.001 1.885 0.256 0.903 1.000 0.917 CB 1.217 13 residues pruned to eliminate duplicates Z: 26 15.865 1.772 0.510 0.524 0.880 0.640 CB 1.315 26 residues pruned to eliminate duplicates Z: 18 23.777 1.969 0.908 0.800 0.824 0.471 CB 1.433 18 residues pruned to eliminate duplicates Z: 56 31.159 1.940 0.727 0.524 0.891 0.545 CB 1.375 56 residues pruned to eliminate duplicates Z: 29 17.451 1.878 0.602 0.484 0.893 0.429 CB 1.247 29 residues pruned to eliminate duplicates Z: 6 9.789 1.886 0.272 0.886 1.000 1.000 CA 1.317 6 residues pruned to eliminate duplicates Z: 66 34.911 2.005 0.587 0.565 0.892 0.569 CB 1.432 66 residues pruned to eliminate duplicates Z: 6 6.801 1.935 0.747 0.637 0.800 0.800 CB 0.989 6 residues pruned to eliminate duplicates Z: 7 4.295 1.733 0.408 0.766 0.833 0.333 CB 0.681 7 residues pruned to eliminate duplicates Z: 14 25.161 2.072 0.841 0.868 0.923 0.462 CB 1.449 14 residues pruned to eliminate duplicates Z: 16 24.326 1.999 0.509 0.879 1.000 0.400 CA 1.510 16 residues pruned to eliminate duplicates Z: 6 2.856 1.741 0.755 0.415 0.800 0.800 CB 0.571 6 residues pruned to eliminate duplicates Z: 10 8.126 1.788 0.488 0.377 0.778 0.556 CA 1.492 8 residues pruned to eliminate duplicates Z: 24 21.101 1.978 0.595 0.511 0.913 0.435 CB 1.512 24 residues pruned to eliminate duplicates Z: 7 2.200 1.673 0.507 0.121 0.500 0.500 N 1.148 Z: 6 11.143 1.779 0.545 0.856 1.000 0.800 CA 1.338 7 residues pruned to eliminate duplicates Z: 16 29.650 2.113 0.813 0.888 1.000 0.467 CA 1.439 16 residues pruned to eliminate duplicates Z: 17 10.482 1.795 0.587 0.370 0.875 0.625 CB 1.208 17 residues pruned to eliminate duplicates Z: 14 11.805 1.574 0.467 0.856 0.923 0.692 CB 1.133 12 residues pruned to eliminate duplicates Z: 11 15.026 1.954 0.206 0.928 1.000 0.900 CB 1.413 11 residues pruned to eliminate duplicates Z: 29 20.603 1.951 0.502 0.526 0.929 0.643 CA 1.394 29 residues pruned to eliminate duplicates Z: 71 36.522 2.019 0.696 0.493 0.929 0.586 CB 1.383 71 residues pruned to eliminate duplicates Z: 12 17.894 1.938 0.480 0.920 1.000 0.727 CB 1.325 12 residues pruned to eliminate duplicates Z: 10 20.245 2.123 0.590 0.908 1.000 1.000 CB 1.419 10 residues pruned to eliminate duplicates Z: 32 28.749 2.106 0.565 0.565 1.000 0.645 CA 1.470 32 residues pruned to eliminate duplicates Z: 6 6.369 1.812 0.254 0.718 0.800 0.800 CA 1.287 6 residues pruned to eliminate duplicates Z: 6 4.606 1.591 0.364 0.544 0.800 0.400 N 1.137 6 residues pruned to eliminate duplicates Z: 10 12.242 1.808 0.516 0.779 0.889 0.556 CA 1.310 10 residues pruned to eliminate duplicates Z: 39 21.187 1.912 0.479 0.462 0.842 0.447 CB 1.501 42 residues pruned to eliminate duplicates Z: 16 20.324 1.991 0.433 0.924 0.867 0.667 CB 1.491 16 residues pruned to eliminate duplicates Z: 11 9.343 1.813 0.493 0.441 0.800 0.500 CA 1.451 Z: 9 7.871 1.703 0.066 0.876 1.000 0.875 CA 1.113 9 residues pruned to eliminate duplicates Z: 34 29.851 2.091 0.625 0.590 1.000 0.697 CB 1.403 34 residues pruned to eliminate duplicates Z: 11 15.949 1.839 0.672 0.870 0.900 0.600 CA 1.330 11 residues pruned to eliminate duplicates Z: 34 27.752 2.050 0.607 0.600 0.939 0.697 CA 1.420 34 residues pruned to eliminate duplicates Z: 13 18.322 2.069 0.236 0.909 1.000 0.833 CA 1.468 13 residues pruned to eliminate duplicates Z: 7 8.869 1.726 0.539 0.827 1.000 0.833 CA 1.028 5 residues pruned to eliminate duplicates Z: 12 15.021 1.984 0.231 0.899 1.000 0.909 CB 1.326 12 residues pruned to eliminate duplicates 6 1.874 1.635 0.205 0.454 0.600 0.600 CA 0.744 ? Z: 44 20.052 1.833 0.659 0.528 0.837 0.488 CB 1.169 36 residues pruned to eliminate duplicates Z: 9 8.234 1.816 0.018 0.806 1.000 0.625 CA 1.207 9 residues pruned to eliminate duplicates Z: 10 8.153 1.818 0.318 0.322 0.889 0.333 CA 1.551 10 residues pruned to eliminate duplicates Z: 16 27.209 2.105 1.016 0.860 1.000 0.667 CA 1.217 16 residues pruned to eliminate duplicates Z: 11 5.689 1.793 0.437 0.442 0.900 0.600 CB 0.823 11 residues pruned to eliminate duplicates Z: 15 18.776 1.730 0.650 0.919 1.000 0.786 CA 1.239 15 residues pruned to eliminate duplicates Z: 14 19.743 1.918 0.687 0.770 1.000 0.692 CA 1.332 14 residues pruned to eliminate duplicates Z: 6 7.446 1.694 0.648 0.827 1.000 1.000 CB 0.899 Z: 31 19.679 2.005 0.425 0.570 0.800 0.667 CA 1.469 31 residues pruned to eliminate duplicates Z: 13 18.368 1.934 0.403 0.924 1.000 0.750 CB 1.373 13 residues pruned to eliminate duplicates Z: 13 27.343 2.026 1.021 0.924 0.917 0.667 CB 1.476 13 residues pruned to eliminate duplicates Z: 41 25.953 1.997 0.556 0.542 0.950 0.600 CA 1.334 41 residues pruned to eliminate duplicates Z: 11 18.824 2.065 0.600 0.898 1.000 0.500 CB 1.289 11 residues pruned to eliminate duplicates Z: 16 16.641 1.958 0.280 0.901 1.000 0.800 CA 1.224 16 residues pruned to eliminate duplicates Z: 12 19.915 1.971 0.547 0.898 1.000 0.909 CB 1.408 12 residues pruned to eliminate duplicates Z: 30 27.487 2.068 0.624 0.515 0.966 0.655 CA 1.552 30 residues pruned to eliminate duplicates Z: 6 5.394 1.523 0.169 0.646 1.000 0.400 C 1.182 6 residues pruned to eliminate duplicates Z: 13 21.195 1.884 0.872 0.908 1.000 0.917 CB 1.232 13 residues pruned to eliminate duplicates Z: 53 32.494 2.031 0.565 0.590 0.904 0.635 CB 1.438 53 residues pruned to eliminate duplicates Z: 13 16.197 1.818 0.531 0.909 1.000 0.833 CA 1.192 13 residues pruned to eliminate duplicates Z: 29 15.554 1.888 0.323 0.539 0.857 0.536 CA 1.322 27 residues pruned to eliminate duplicates Z: 14 18.308 1.893 0.919 0.793 0.923 0.615 CA 1.171 14 residues pruned to eliminate duplicates Z: 14 19.945 1.987 0.430 0.853 1.000 0.769 CA 1.439 14 residues pruned to eliminate duplicates Z: 12 18.368 1.946 0.412 0.926 1.000 0.909 CB 1.413 12 residues pruned to eliminate duplicates Z: 16 8.975 1.745 0.526 0.463 0.933 0.600 CB 0.968 8 residues pruned to eliminate duplicates Z: 14 7.080 1.926 0.247 0.355 0.692 0.385 CA 1.381 14 residues pruned to eliminate duplicates Z: 8 13.263 1.971 0.795 0.616 1.000 0.714 CA 1.271 8 residues pruned to eliminate duplicates Z: 50 21.388 1.955 0.569 0.447 0.816 0.551 CB 1.289 50 residues pruned to eliminate duplicates Z: 6 5.244 1.652 0.207 0.679 0.800 0.400 CA 1.247 6 residues pruned to eliminate duplicates 6 1.240 1.339 0.227 0.341 1.000 0.800 CB 0.402 ? Z: 15 10.456 1.961 0.624 0.267 0.857 0.643 CA 1.334 15 residues pruned to eliminate duplicates Z: 12 23.069 1.952 0.832 0.934 1.000 0.364 CA 1.357 12 residues pruned to eliminate duplicates Z: 12 18.721 2.104 0.539 0.830 0.909 0.545 CB 1.442 12 residues pruned to eliminate duplicates Z: 15 11.213 1.830 0.634 0.713 0.786 0.571 CB 1.052 15 residues pruned to eliminate duplicates Z: 31 21.622 1.971 0.514 0.609 0.900 0.667 CA 1.325 31 residues pruned to eliminate duplicates Z: 6 6.327 1.668 0.302 0.713 1.000 0.400 CA 1.074 6 residues pruned to eliminate duplicates Z: 10 12.924 1.846 0.555 0.918 1.000 0.778 CB 1.058 12 residues pruned to eliminate duplicates Z: 13 20.872 2.123 0.404 0.864 0.917 0.750 CB 1.617 13 residues pruned to eliminate duplicates Z: 13 16.074 1.975 0.568 0.880 1.000 0.667 CB 1.085 13 residues pruned to eliminate duplicates Z: 6 5.211 1.661 -0.041 0.842 1.000 0.600 CA 1.091 Z: 9 9.487 1.627 0.560 0.838 0.875 0.500 CA 1.129 9 residues pruned to eliminate duplicates Z: 16 19.742 1.949 0.378 0.902 1.000 0.667 CA 1.355 16 residues pruned to eliminate duplicates Z: 9 10.171 1.821 0.529 0.856 0.875 0.750 CA 1.088 9 residues pruned to eliminate duplicates Z: 13 28.192 2.038 1.160 0.812 1.000 0.750 CA 1.409 13 residues pruned to eliminate duplicates Z: 13 9.416 2.043 0.450 0.458 0.750 0.583 CB 1.277 13 residues pruned to eliminate duplicates Z: 15 7.786 2.055 0.059 0.376 0.786 0.429 CB 1.389 15 residues pruned to eliminate duplicates Z: 9 21.987 2.240 0.756 0.922 1.000 0.375 CB 1.390 9 residues pruned to eliminate duplicates Z: 12 7.546 1.792 0.285 0.349 0.818 0.545 CB 1.422 12 residues pruned to eliminate duplicates Z: 10 14.084 1.843 0.983 0.852 1.000 0.667 CB 0.950 10 residues pruned to eliminate duplicates Z: 26 16.947 1.896 0.597 0.513 0.840 0.400 CA 1.316 26 residues pruned to eliminate duplicates Z: 6 9.494 1.752 0.489 0.720 1.000 0.600 CA 1.334 6 residues pruned to eliminate duplicates Z: 38 22.297 2.018 0.479 0.473 0.865 0.622 CB 1.460 38 residues pruned to eliminate duplicates Z: 13 20.917 1.816 0.757 0.915 1.000 0.667 CA 1.338 13 residues pruned to eliminate duplicates Z: 23 11.812 1.737 0.414 0.437 0.864 0.591 CB 1.267 23 residues pruned to eliminate duplicates Z: 19 13.734 1.769 0.865 0.393 0.833 0.722 CB 1.319 19 residues pruned to eliminate duplicates Z: 9 9.925 1.701 1.080 0.831 0.875 0.375 CB 0.852 Z: 8 4.949 1.408 0.452 0.620 1.000 0.571 CA 0.817 8 residues pruned to eliminate duplicates Z: 76 40.347 2.057 0.665 0.534 0.893 0.573 CA 1.473 76 residues pruned to eliminate duplicates Z: 14 11.469 1.784 0.454 0.870 0.923 0.615 CB 0.970 14 residues pruned to eliminate duplicates Z: 6 6.017 1.751 0.563 0.649 0.800 0.800 CA 1.069 6 residues pruned to eliminate duplicates Z: 9 10.122 1.913 0.598 0.876 1.000 0.750 CB 0.850 9 residues pruned to eliminate duplicates Z: 6 8.496 1.964 0.211 0.850 1.000 1.000 CB 1.184 Z: 16 9.176 1.750 0.569 0.715 0.800 0.733 CB 0.888 12 residues pruned to eliminate duplicates Z: 12 20.035 2.076 0.678 0.805 0.909 0.636 CA 1.461 12 residues pruned to eliminate duplicates Z: 14 14.593 2.008 0.143 0.812 0.923 0.692 CA 1.457 14 residues pruned to eliminate duplicates Z: 17 33.624 2.112 1.096 0.922 0.938 0.812 CB 1.424 17 residues pruned to eliminate duplicates Z: 17 18.825 1.940 0.520 0.910 1.000 0.812 CA 1.133 17 residues pruned to eliminate duplicates Z: 15 20.213 1.928 0.909 0.879 0.929 0.714 CA 1.147 15 residues pruned to eliminate duplicates Z: 17 29.290 1.965 0.904 0.846 0.938 0.500 CA 1.552 17 residues pruned to eliminate duplicates Z: 14 4.668 1.433 0.228 0.364 0.769 0.615 CA 1.107 Z: 24 13.183 1.738 0.604 0.479 0.870 0.522 CB 1.159 31 residues pruned to eliminate duplicates Z: 14 30.242 2.046 0.967 0.900 1.000 0.462 CB 1.490 14 residues pruned to eliminate duplicates Z: 17 12.754 1.931 0.560 0.355 0.875 0.500 CB 1.416 17 residues pruned to eliminate duplicates Z: 18 18.488 1.865 0.451 0.913 1.000 0.765 CA 1.173 18 residues pruned to eliminate duplicates Z: 6 7.270 2.096 0.236 0.551 1.000 0.800 CB 1.194 6 residues pruned to eliminate duplicates Z: 9 7.814 1.409 0.498 0.775 0.875 0.750 N 1.173 9 residues pruned to eliminate duplicates Z: 6 6.566 1.566 0.450 0.784 1.000 0.600 CA 1.007 6 residues pruned to eliminate duplicates Z: 6 3.567 1.684 0.523 0.286 0.600 0.600 N 1.320 6 residues pruned to eliminate duplicates Z: 6 5.675 1.705 0.481 0.303 1.000 0.600 CA 1.252 6 residues pruned to eliminate duplicates Z: 24 20.088 2.024 0.711 0.557 0.783 0.435 CA 1.462 24 residues pruned to eliminate duplicates Z: 7 9.697 1.825 0.459 0.776 1.000 0.667 CB 1.165 7 residues pruned to eliminate duplicates Z: 42 29.749 1.981 0.608 0.565 0.927 0.585 CA 1.477 42 residues pruned to eliminate duplicates Z: 13 20.742 2.021 0.632 0.898 0.917 0.917 CB 1.417 13 residues pruned to eliminate duplicates Z: 11 23.832 1.995 0.887 0.920 1.000 0.600 CA 1.410 11 residues pruned to eliminate duplicates Z: 11 24.137 2.219 0.559 0.868 1.000 0.500 CA 1.612 11 residues pruned to eliminate duplicates Z: 17 17.813 1.981 0.258 0.774 0.938 0.812 CA 1.496 17 residues pruned to eliminate duplicates Z: 52 30.444 2.032 0.711 0.568 0.902 0.588 CB 1.274 50 residues pruned to eliminate duplicates Z: 9 4.486 1.549 0.052 0.410 1.000 0.875 CB 1.069 Z: 34 26.975 2.036 0.696 0.495 0.909 0.727 CA 1.505 34 residues pruned to eliminate duplicates Z: 68 35.559 2.017 0.619 0.508 0.940 0.582 CB 1.403 68 residues pruned to eliminate duplicates Z: 41 22.192 1.940 0.598 0.453 0.875 0.600 CA 1.358 41 residues pruned to eliminate duplicates Z: 37 20.241 1.918 0.662 0.453 0.889 0.639 CA 1.249 36 residues pruned to eliminate duplicates Z: 36 23.890 1.938 0.675 0.538 0.914 0.629 CB 1.310 36 residues pruned to eliminate duplicates Z: 37 19.247 1.937 0.559 0.505 0.917 0.611 CB 1.153 37 residues pruned to eliminate duplicates Z: 11 14.758 1.906 0.754 0.846 0.900 0.300 CB 1.152 11 residues pruned to eliminate duplicates 6 0.406 1.258 0.062 0.293 0.800 0.600 CB 0.214 ? Z: 9 20.505 1.972 1.088 0.913 1.000 1.000 CB 1.247 9 residues pruned to eliminate duplicates Z: 48 26.063 2.002 0.493 0.502 0.872 0.617 CB 1.454 48 residues pruned to eliminate duplicates Z: 6 6.649 1.677 0.176 0.702 1.000 0.800 CA 1.255 Z: 27 18.438 1.944 0.430 0.586 0.885 0.577 CB 1.355 27 residues pruned to eliminate duplicates 6 1.302 1.158 0.226 0.406 0.800 0.400 CB 0.566 ? Z: 14 21.128 1.980 0.576 0.889 1.000 0.769 CA 1.352 14 residues pruned to eliminate duplicates Z: 55 30.764 2.020 0.518 0.598 0.907 0.648 CA 1.370 55 residues pruned to eliminate duplicates Z: 6 4.356 1.662 0.132 0.426 1.000 0.400 CB 1.119 Z: 12 20.371 1.927 0.593 0.921 1.000 0.909 CA 1.408 12 residues pruned to eliminate duplicates Z: 12 8.424 1.805 0.511 0.426 0.818 0.273 CA 1.229 14 residues pruned to eliminate duplicates Z: 15 5.426 1.598 0.617 0.379 0.643 0.429 CB 0.992 7 residues pruned to eliminate duplicates Z: 9 6.310 1.809 0.020 0.620 1.000 0.750 CB 1.080 9 residues pruned to eliminate duplicates Z: 12 27.650 2.110 0.847 0.891 1.000 0.727 CA 1.538 12 residues pruned to eliminate duplicates Z: 14 13.312 1.948 0.644 0.332 1.000 0.769 CB 1.386 14 residues pruned to eliminate duplicates Z: 6 12.892 1.732 1.326 0.851 1.000 1.000 CB 1.060 Z: 17 12.679 1.797 0.531 0.493 0.938 0.688 CB 1.237 17 residues pruned to eliminate duplicates Z: 11 13.424 1.877 0.587 0.552 1.000 1.000 CB 1.353 11 residues pruned to eliminate duplicates Z: 17 9.585 1.828 0.529 0.321 0.812 0.562 CB 1.286 17 residues pruned to eliminate duplicates Z: 22 27.296 2.041 0.860 0.652 0.952 0.476 CA 1.430 20 residues pruned to eliminate duplicates Z: 7 11.258 1.881 0.697 0.805 1.000 0.500 CA 1.104 7 residues pruned to eliminate duplicates Z: 6 5.106 1.602 0.100 0.568 1.000 0.600 CA 1.214 Z: 51 33.604 2.009 0.710 0.513 0.920 0.540 CA 1.485 51 residues pruned to eliminate duplicates Z: 6 7.296 1.716 0.366 0.792 1.000 1.000 CA 1.078 6 residues pruned to eliminate duplicates Z: 14 10.780 1.727 0.760 0.457 0.769 0.538 CA 1.336 12 residues pruned to eliminate duplicates Z: 54 31.923 2.035 0.575 0.559 0.906 0.547 CA 1.427 54 residues pruned to eliminate duplicates Z: 6 4.590 1.840 0.350 0.476 0.800 0.600 CB 1.059 Z: 12 11.536 1.698 0.578 0.901 0.909 0.727 CB 1.019 12 residues pruned to eliminate duplicates Z: 10 20.776 1.996 0.806 0.882 1.000 0.778 CB 1.391 10 residues pruned to eliminate duplicates Z: 8 5.044 1.599 0.238 0.872 0.857 0.571 CB 0.819 Z: 13 12.098 1.641 0.523 0.891 0.917 0.667 CA 1.096 13 residues pruned to eliminate duplicates Z: 6 4.231 1.685 0.503 0.544 0.800 0.600 CA 0.894 Z: 32 22.597 1.953 0.609 0.545 0.935 0.645 CB 1.321 32 residues pruned to eliminate duplicates Z: 7 2.556 1.535 -0.161 0.349 0.833 0.333 CB 1.145 7 residues pruned to eliminate duplicates Z: 14 15.479 1.763 0.698 0.790 0.846 0.538 CA 1.314 14 residues pruned to eliminate duplicates Z: 12 4.556 1.428 0.545 0.273 0.818 0.364 C 0.984 Z: 18 25.347 1.988 0.808 0.895 0.941 0.824 CA 1.303 18 residues pruned to eliminate duplicates Z: 12 7.179 1.815 0.714 0.338 0.727 0.364 CB 1.142 Z: 6 2.292 1.254 0.959 0.260 0.600 0.200 CA 0.914 Z: 75 36.474 2.008 0.523 0.587 0.919 0.635 CB 1.388 75 residues pruned to eliminate duplicates Z: 43 25.456 1.802 0.690 0.621 0.929 0.667 CB 1.239 43 residues pruned to eliminate duplicates Z: 9 6.805 1.576 0.450 0.393 0.875 0.500 CA 1.347 Z: 11 17.087 1.732 0.703 0.882 1.000 0.900 CA 1.326 11 residues pruned to eliminate duplicates Z: 62 37.781 2.019 0.592 0.618 0.967 0.557 CB 1.392 62 residues pruned to eliminate duplicates Z: 63 29.346 1.978 0.669 0.488 0.887 0.548 CB 1.288 63 residues pruned to eliminate duplicates Z: 13 12.996 1.662 0.783 0.829 1.000 0.417 CB 0.953 13 residues pruned to eliminate duplicates Z: 8 16.349 1.858 1.071 0.805 1.000 0.857 CB 1.230 7 residues pruned to eliminate duplicates Z: 15 14.714 1.877 0.597 0.525 0.929 0.786 CB 1.378 15 residues pruned to eliminate duplicates Z: 76 39.306 2.033 0.629 0.580 0.893 0.627 CA 1.420 76 residues pruned to eliminate duplicates Z: 15 24.299 2.109 0.567 0.900 1.000 0.857 CA 1.403 15 residues pruned to eliminate duplicates Z: 49 30.256 1.957 0.737 0.514 0.875 0.646 CA 1.447 49 residues pruned to eliminate duplicates Z: 13 12.806 1.642 0.626 0.840 0.917 0.750 CB 1.127 13 residues pruned to eliminate duplicates Z: 26 17.168 1.945 0.696 0.482 0.760 0.400 CA 1.394 26 residues pruned to eliminate duplicates Z: 14 10.398 1.741 0.677 0.626 0.846 0.692 CB 1.037 15 residues pruned to eliminate duplicates Z: 9 18.613 2.051 0.795 0.912 1.000 1.000 CA 1.266 9 residues pruned to eliminate duplicates Z: 23 21.144 1.817 0.806 0.567 1.000 0.591 CB 1.287 23 residues pruned to eliminate duplicates Z: 30 20.576 1.902 0.397 0.601 0.966 0.759 CA 1.353 30 residues pruned to eliminate duplicates Z: 6 9.120 1.845 0.690 0.675 1.000 0.800 CB 1.114 Z: 36 19.891 1.961 0.476 0.490 0.914 0.543 CB 1.282 36 residues pruned to eliminate duplicates Z: 52 33.580 2.001 0.642 0.594 0.922 0.725 CB 1.420 52 residues pruned to eliminate duplicates Z: 17 23.940 1.959 0.667 0.885 1.000 0.688 CA 1.323 17 residues pruned to eliminate duplicates Z: 53 35.303 2.026 0.781 0.476 0.923 0.519 CA 1.507 53 residues pruned to eliminate duplicates Z: 6 10.635 1.670 1.141 0.671 0.800 0.600 CA 1.420 Z: 8 3.673 1.399 0.354 0.466 0.714 0.571 C 1.063 Z: 9 5.197 1.727 0.350 0.506 0.875 0.625 CB 0.896 9 residues pruned to eliminate duplicates Z: 22 20.684 1.979 0.875 0.375 0.952 0.476 CA 1.460 22 residues pruned to eliminate duplicates Z: 9 13.148 1.796 0.713 0.817 1.000 0.750 CB 1.147 9 residues pruned to eliminate duplicates Z: 6 7.464 1.829 0.003 0.777 1.000 0.400 N 1.425 6 residues pruned to eliminate duplicates Z: 7 6.128 1.648 0.355 0.858 0.833 0.500 CB 0.990 7 residues pruned to eliminate duplicates Z: 12 8.251 1.581 0.347 0.510 0.909 0.455 CB 1.272 7 residues pruned to eliminate duplicates Z: 30 27.982 2.046 0.782 0.512 0.931 0.655 CA 1.513 30 residues pruned to eliminate duplicates Z: 10 8.325 1.628 0.276 0.872 1.000 1.000 CA 0.974 10 residues pruned to eliminate duplicates Z: 12 13.951 1.803 0.674 0.836 0.909 0.182 CB 1.147 12 residues pruned to eliminate duplicates Z: 42 34.289 2.015 0.744 0.650 0.927 0.512 CA 1.429 42 residues pruned to eliminate duplicates Z: 13 15.531 1.887 0.393 0.914 0.917 0.667 CB 1.316 13 residues pruned to eliminate duplicates Z: 7 2.636 1.441 0.181 0.128 0.833 0.333 CA 1.209 6 residues pruned to eliminate duplicates Z: 13 15.064 1.650 0.682 0.919 1.000 0.833 CB 1.105 13 residues pruned to eliminate duplicates Z: 7 3.651 1.694 -0.094 0.706 1.000 0.833 CB 0.806 Z: 15 34.029 2.042 1.184 0.911 1.000 0.357 CA 1.446 15 residues pruned to eliminate duplicates Z: 36 21.273 1.903 0.688 0.535 0.857 0.457 CB 1.262 36 residues pruned to eliminate duplicates Z: 34 18.370 1.822 0.462 0.601 0.939 0.697 CB 1.160 34 residues pruned to eliminate duplicates Z: 59 24.763 1.815 0.649 0.549 0.828 0.517 CB 1.252 69 residues pruned to eliminate duplicates Z: 68 38.901 2.020 0.566 0.642 0.940 0.642 CB 1.399 68 residues pruned to eliminate duplicates Z: 13 9.842 1.707 0.579 0.445 0.833 0.417 N 1.339 13 residues pruned to eliminate duplicates Z: 15 16.013 1.689 0.680 0.826 1.000 0.571 CB 1.138 15 residues pruned to eliminate duplicates Z: 7 7.927 1.678 0.884 0.690 0.833 0.500 CA 1.032 7 residues pruned to eliminate duplicates Z: 7 7.035 1.840 0.356 0.845 0.833 0.333 CB 1.027 7 residues pruned to eliminate duplicates Z: 8 4.186 1.458 0.610 0.401 0.857 0.714 CB 0.873 Z: 14 22.582 2.079 0.510 0.858 1.000 0.615 CA 1.469 14 residues pruned to eliminate duplicates Z: 6 6.416 1.572 0.183 0.612 1.000 0.800 N 1.388 Z: 16 5.925 1.585 0.380 0.323 0.800 0.333 CB 1.062 9 residues pruned to eliminate duplicates Z: 13 15.177 1.986 0.079 0.860 1.000 0.750 CB 1.503 13 residues pruned to eliminate duplicates Z: 7 7.876 1.917 0.163 0.830 1.000 1.000 CB 1.084 7 residues pruned to eliminate duplicates Z: 16 30.300 2.160 0.888 0.870 1.000 0.667 CA 1.401 16 residues pruned to eliminate duplicates Z: 8 9.715 1.788 0.526 0.800 1.000 0.714 CB 1.036 8 residues pruned to eliminate duplicates Z: 8 5.932 1.623 0.414 0.727 0.857 0.714 CB 0.929 8 residues pruned to eliminate duplicates Z: 15 35.498 2.126 1.046 0.886 1.000 0.571 CA 1.574 17 residues pruned to eliminate duplicates Z: 8 4.341 1.498 0.378 0.727 0.714 0.714 CB 0.907 8 residues pruned to eliminate duplicates Z: 12 7.062 1.784 0.324 0.310 0.818 0.636 CA 1.361 12 residues pruned to eliminate duplicates Z: 15 17.295 1.838 0.522 0.914 0.929 0.857 CA 1.259 15 residues pruned to eliminate duplicates Z: 9 9.108 1.890 0.586 0.403 1.000 0.625 CA 1.190 9 residues pruned to eliminate duplicates Z: 13 19.120 1.852 0.663 0.884 1.000 0.750 CB 1.295 13 residues pruned to eliminate duplicates Z: 6 6.369 1.717 0.610 0.611 0.800 0.400 CB 1.160 Z: 6 6.215 1.731 0.620 0.644 1.000 0.800 CB 0.867 6 residues pruned to eliminate duplicates Z: 9 6.785 1.582 0.488 0.480 0.875 0.375 CB 1.189 Z: 15 8.273 1.878 0.258 0.361 0.786 0.571 CB 1.383 15 residues pruned to eliminate duplicates Z: 26 15.507 1.884 0.642 0.466 0.800 0.360 CB 1.298 26 residues pruned to eliminate duplicates Z: 17 25.309 2.080 0.676 0.829 1.000 0.500 CA 1.366 17 residues pruned to eliminate duplicates Z: 10 15.344 1.767 0.788 0.911 1.000 0.667 CB 1.148 10 residues pruned to eliminate duplicates Z: 14 13.209 1.539 0.862 0.792 0.923 0.615 CB 1.072 16 residues pruned to eliminate duplicates Z: 15 12.859 1.789 0.571 0.718 0.857 0.429 CB 1.170 15 residues pruned to eliminate duplicates Z: 11 11.297 1.679 0.325 0.900 1.000 0.800 CA 1.147 11 residues pruned to eliminate duplicates Z: 14 10.603 1.717 0.571 0.631 0.923 0.769 CB 1.044 14 residues pruned to eliminate duplicates Z: 6 3.883 1.452 0.021 0.773 1.000 0.800 CB 0.920 Z: 14 15.967 1.890 0.262 0.914 0.923 0.462 CB 1.422 14 residues pruned to eliminate duplicates Z: 6 7.556 1.739 0.438 0.776 1.000 0.600 CA 1.059 6 residues pruned to eliminate duplicates Z: 12 11.328 1.708 0.457 0.526 1.000 0.727 CA 1.337 12 residues pruned to eliminate duplicates Z: 6 6.229 1.615 0.496 0.847 1.000 1.000 CB 0.856 5 residues pruned to eliminate duplicates Z: 10 7.760 1.765 0.060 0.639 0.889 0.556 CB 1.365 10 residues pruned to eliminate duplicates Z: 13 17.649 2.082 0.404 0.894 0.917 0.500 CA 1.364 13 residues pruned to eliminate duplicates Z: 10 3.644 1.675 -0.128 0.421 0.778 0.444 CA 1.162 Z: 14 15.737 2.017 0.328 0.899 1.000 1.000 CA 1.165 14 residues pruned to eliminate duplicates Z: 78 35.136 2.019 0.571 0.497 0.883 0.597 CB 1.434 78 residues pruned to eliminate duplicates Z: 21 17.986 1.935 0.662 0.447 0.900 0.550 CA 1.467 21 residues pruned to eliminate duplicates Z: 30 18.128 1.973 0.529 0.612 0.862 0.690 CA 1.164 30 residues pruned to eliminate duplicates Z: 13 7.179 1.905 0.436 0.284 0.833 0.583 CB 1.159 13 residues pruned to eliminate duplicates Z: 21 17.408 1.905 0.705 0.449 0.850 0.650 CB 1.485 21 residues pruned to eliminate duplicates Z: 29 28.208 2.051 0.696 0.633 0.964 0.714 CB 1.402 29 residues pruned to eliminate duplicates Z: 11 10.674 1.707 0.714 0.885 0.900 0.300 CB 0.925 11 residues pruned to eliminate duplicates Z: 8 5.293 1.498 0.428 0.746 0.857 0.571 CB 0.876 8 residues pruned to eliminate duplicates Z: 9 6.968 1.683 0.590 0.364 1.000 0.625 CA 1.065 7 residues pruned to eliminate duplicates Z: 14 11.589 1.773 0.450 0.595 0.923 0.769 CB 1.237 15 residues pruned to eliminate duplicates Z: 11 25.007 2.043 0.893 0.910 1.000 0.700 CA 1.451 11 residues pruned to eliminate duplicates Z: 44 27.387 2.004 0.740 0.566 0.837 0.581 CB 1.342 44 residues pruned to eliminate duplicates Z: 7 7.019 1.716 0.581 0.531 1.000 0.500 CB 1.025 7 residues pruned to eliminate duplicates 6 1.522 1.438 0.010 0.351 0.600 0.400 CB 0.918 ? Z: 7 5.113 1.579 0.647 0.412 0.667 0.500 N 1.319 6 residues pruned to eliminate duplicates Z: 13 13.339 1.657 0.764 0.884 1.000 0.667 CB 0.951 13 residues pruned to eliminate duplicates Z: 8 5.380 1.597 0.501 0.467 0.857 0.286 CA 1.024 8 residues pruned to eliminate duplicates Z: 14 10.412 1.726 0.371 0.651 0.923 0.692 CB 1.149 16 residues pruned to eliminate duplicates Z: 18 11.520 1.858 0.576 0.342 0.765 0.588 CA 1.481 18 residues pruned to eliminate duplicates Z: 29 20.359 1.933 0.691 0.535 0.893 0.571 CB 1.273 29 residues pruned to eliminate duplicates 6 1.989 1.471 0.078 0.451 0.600 0.600 CB 0.982 ? Z: 7 4.985 1.432 0.615 0.698 0.833 0.167 N 0.882 6 residues pruned to eliminate duplicates Z: 32 21.997 1.906 0.778 0.564 0.839 0.677 CA 1.306 38 residues pruned to eliminate duplicates Z: 9 9.640 1.714 0.596 0.867 0.875 0.875 CA 1.042 9 residues pruned to eliminate duplicates Z: 14 18.759 1.930 0.486 0.896 1.000 0.538 CA 1.300 14 residues pruned to eliminate duplicates Z: 33 30.271 2.094 0.617 0.620 0.938 0.625 CB 1.505 33 residues pruned to eliminate duplicates Z: 10 17.097 2.024 0.712 0.830 0.889 0.778 CA 1.391 10 residues pruned to eliminate duplicates Z: 8 11.829 1.897 0.550 0.796 1.000 0.857 CA 1.173 7 residues pruned to eliminate duplicates Z: 13 30.827 2.101 0.914 0.853 1.000 0.417 CB 1.636 15 residues pruned to eliminate duplicates Z: 11 3.485 1.582 0.357 0.370 0.700 0.400 CB 0.843 11 residues pruned to eliminate duplicates Z: 7 6.875 1.609 0.512 0.392 1.000 0.833 N 1.293 7 residues pruned to eliminate duplicates Z: 14 6.377 1.696 0.404 0.373 0.692 0.538 CB 1.230 14 residues pruned to eliminate duplicates Z: 12 12.144 1.712 0.415 0.938 1.000 0.909 CB 1.051 14 residues pruned to eliminate duplicates Z: 24 21.257 2.017 0.849 0.380 0.870 0.565 CB 1.553 24 residues pruned to eliminate duplicates Z: 29 12.981 1.759 0.454 0.447 0.821 0.536 CB 1.234 29 residues pruned to eliminate duplicates Z: 8 8.548 1.800 0.258 0.858 0.857 0.857 CA 1.226 8 residues pruned to eliminate duplicates Z: 10 6.568 1.765 -0.031 0.649 0.889 0.778 CB 1.253 10 residues pruned to eliminate duplicates Z: 64 36.433 2.010 0.742 0.549 0.889 0.603 CA 1.407 64 residues pruned to eliminate duplicates Z: 6 4.861 1.434 0.509 0.391 1.000 1.000 CB 1.127 Z: 33 17.853 1.952 0.536 0.542 0.906 0.562 CB 1.115 33 residues pruned to eliminate duplicates Z: 7 3.613 1.553 0.170 0.306 0.833 0.500 CB 1.208 7 residues pruned to eliminate duplicates Z: 6 9.494 2.020 0.459 0.730 0.800 0.600 CB 1.465 6 residues pruned to eliminate duplicates Z: 17 24.849 2.061 0.513 0.907 1.000 0.750 CA 1.416 17 residues pruned to eliminate duplicates Z: 35 28.711 1.974 0.731 0.522 0.971 0.618 CA 1.453 45 residues pruned to eliminate duplicates Z: 11 6.292 1.843 0.116 0.447 0.900 0.600 CB 1.135 11 residues pruned to eliminate duplicates Z: 12 6.502 1.777 0.697 0.344 0.727 0.455 CB 1.059 12 residues pruned to eliminate duplicates Z: 6 9.642 1.852 0.452 0.887 1.000 1.000 CA 1.156 6 residues pruned to eliminate duplicates Z: 8 9.661 1.851 0.123 0.839 1.000 0.857 CB 1.313 8 residues pruned to eliminate duplicates Z: 12 15.650 1.972 0.264 0.924 1.000 0.909 CA 1.330 12 residues pruned to eliminate duplicates Z: 39 24.431 1.896 0.748 0.542 0.842 0.474 CA 1.363 39 residues pruned to eliminate duplicates Z: 15 19.981 2.020 0.726 0.629 1.000 0.714 CA 1.357 15 residues pruned to eliminate duplicates Z: 8 6.953 1.819 0.412 0.772 0.857 0.714 CA 0.939 8 residues pruned to eliminate duplicates Z: 74 34.111 1.933 0.630 0.524 0.945 0.521 CB 1.310 74 residues pruned to eliminate duplicates Z: 16 30.028 1.963 1.040 0.944 1.000 1.000 CA 1.341 16 residues pruned to eliminate duplicates Z: 12 8.591 1.579 0.463 0.594 0.909 0.636 CA 1.127 11 residues pruned to eliminate duplicates Z: 34 14.879 1.748 0.633 0.415 0.848 0.606 CB 1.169 34 residues pruned to eliminate duplicates Z: 11 22.272 1.954 0.764 0.899 1.000 0.600 CB 1.461 11 residues pruned to eliminate duplicates Z: 13 19.612 1.908 0.639 0.899 1.000 0.750 CA 1.294 13 residues pruned to eliminate duplicates Z: 40 20.256 1.935 0.750 0.423 0.795 0.513 CB 1.306 40 residues pruned to eliminate duplicates Z: 13 3.526 1.766 0.060 0.314 0.667 0.417 CA 1.002 13 residues pruned to eliminate duplicates Z: 9 14.711 2.029 1.049 0.920 1.000 1.000 CB 0.881 9 residues pruned to eliminate duplicates Z: 28 22.718 2.025 0.606 0.504 0.926 0.556 CB 1.446 28 residues pruned to eliminate duplicates Z: 18 24.118 1.968 0.625 0.906 0.941 0.765 CA 1.382 18 residues pruned to eliminate duplicates Z: 15 18.330 1.879 0.518 0.795 1.000 0.643 CA 1.327 15 residues pruned to eliminate duplicates Z: 19 13.778 1.776 0.514 0.447 1.000 0.556 CB 1.275 13 residues pruned to eliminate duplicates Z: 13 18.775 2.132 0.467 0.824 0.917 0.750 CA 1.428 13 residues pruned to eliminate duplicates Z: 13 16.826 1.813 0.548 0.891 1.000 0.750 CA 1.244 13 residues pruned to eliminate duplicates Z: 8 10.300 1.696 0.590 0.851 1.000 1.000 CA 1.069 8 residues pruned to eliminate duplicates Z: 6 2.395 1.180 0.468 0.702 0.800 0.600 CB 0.643 6 residues pruned to eliminate duplicates Z: 8 4.254 1.815 0.116 0.411 0.857 0.714 CA 1.017 8 residues pruned to eliminate duplicates Z: 15 9.808 1.888 0.288 0.351 0.929 0.643 CA 1.363 15 residues pruned to eliminate duplicates Z: 22 11.375 1.755 0.358 0.404 0.952 0.667 CB 1.210 22 residues pruned to eliminate duplicates Z: 10 4.981 1.719 0.689 0.257 0.889 0.333 CB 0.850 10 residues pruned to eliminate duplicates Z: 36 22.272 1.976 0.573 0.477 0.943 0.571 CB 1.315 36 residues pruned to eliminate duplicates Z: 6 10.450 1.715 0.619 0.774 1.000 0.600 CA 1.321 6 residues pruned to eliminate duplicates Z: 21 15.752 1.811 0.610 0.556 0.900 0.700 CA 1.271 20 residues pruned to eliminate duplicates Z: 7 2.879 1.425 0.734 0.245 0.833 0.500 CB 0.766 7 residues pruned to eliminate duplicates Z: 12 14.525 1.738 0.642 0.853 1.000 0.636 CB 1.134 13 residues pruned to eliminate duplicates Z: 55 38.511 2.058 0.687 0.605 0.963 0.685 CB 1.419 55 residues pruned to eliminate duplicates Z: 9 9.927 1.823 0.244 0.686 1.000 0.625 CB 1.305 9 residues pruned to eliminate duplicates Z: 11 13.729 1.956 0.385 0.735 0.900 0.500 CB 1.441 20 residues pruned to eliminate duplicates Z: 9 12.471 1.928 0.278 0.702 1.000 0.750 CA 1.488 9 residues pruned to eliminate duplicates Z: 6 4.636 1.555 0.546 0.598 0.800 0.800 CB 0.982 Z: 8 13.405 1.859 0.798 0.804 1.000 0.857 CA 1.163 8 residues pruned to eliminate duplicates Z: 7 2.652 1.339 0.080 0.462 0.667 0.500 O 1.167 12 residues pruned to eliminate duplicates Z: 24 21.143 2.018 0.372 0.635 1.000 0.870 CA 1.402 24 residues pruned to eliminate duplicates Z: 49 25.217 1.919 0.499 0.497 0.896 0.604 CA 1.417 51 residues pruned to eliminate duplicates Z: 16 24.559 2.013 0.676 0.839 0.933 0.333 CA 1.505 16 residues pruned to eliminate duplicates Z: 8 11.765 1.975 0.714 0.420 0.857 0.429 CA 1.667 8 residues pruned to eliminate duplicates Z: 26 19.945 1.897 0.777 0.611 0.840 0.560 CB 1.268 26 residues pruned to eliminate duplicates Z: 13 16.775 1.837 0.610 0.854 1.000 0.750 CA 1.209 13 residues pruned to eliminate duplicates Z: 12 19.262 2.030 0.625 0.884 1.000 0.818 CB 1.272 12 residues pruned to eliminate duplicates Z: 8 9.928 1.741 0.504 0.691 1.000 0.857 CB 1.203 8 residues pruned to eliminate duplicates Z: 12 19.553 2.015 0.741 0.849 0.818 0.727 CB 1.523 12 residues pruned to eliminate duplicates Z: 15 17.438 1.795 0.410 0.880 1.000 0.857 CA 1.335 15 residues pruned to eliminate duplicates Z: 17 19.742 1.974 0.459 0.932 1.000 0.688 CA 1.197 17 residues pruned to eliminate duplicates Z: 9 11.936 1.801 0.876 0.591 1.000 0.875 CA 1.145 9 residues pruned to eliminate duplicates Z: 8 8.383 1.655 0.538 0.864 1.000 0.857 CB 0.912 8 residues pruned to eliminate duplicates Z: 6 2.296 1.362 0.559 0.299 0.800 0.400 CB 0.756 6 1.729 1.487 -0.033 0.331 1.000 0.600 CB 0.647 ? Z: 44 27.602 2.048 0.656 0.493 0.884 0.628 CB 1.414 44 residues pruned to eliminate duplicates Z: 39 30.151 2.035 0.700 0.504 0.947 0.632 CA 1.487 39 residues pruned to eliminate duplicates Z: 38 23.303 1.990 0.481 0.479 0.946 0.703 CA 1.403 38 residues pruned to eliminate duplicates Z: 21 11.723 1.717 0.489 0.394 0.850 0.550 CB 1.350 21 residues pruned to eliminate duplicates Z: 15 20.537 2.004 0.639 0.916 1.000 0.929 CA 1.180 15 residues pruned to eliminate duplicates Z: 11 2.326 1.410 0.491 0.146 0.700 0.400 CB 0.774 Z: 8 2.911 1.369 0.102 0.456 0.857 0.571 CB 0.890 Z: 17 10.950 1.762 0.430 0.524 1.000 0.688 CB 1.061 17 residues pruned to eliminate duplicates Z: 13 17.591 1.911 0.600 0.792 1.000 0.833 CA 1.286 13 residues pruned to eliminate duplicates Z: 16 13.814 1.744 0.266 0.840 0.933 0.867 CA 1.291 16 residues pruned to eliminate duplicates Z: 15 16.630 1.839 0.448 0.799 1.000 0.714 CA 1.285 15 residues pruned to eliminate duplicates Z: 15 16.024 1.788 0.401 0.912 0.929 0.286 CB 1.303 15 residues pruned to eliminate duplicates Z: 11 10.414 1.712 0.599 0.889 0.900 0.600 CB 0.962 11 residues pruned to eliminate duplicates Z: 14 22.790 1.962 0.684 0.921 1.000 0.615 CA 1.347 14 residues pruned to eliminate duplicates 6 1.478 1.231 0.418 0.367 0.800 0.600 N 0.546 ? Z: 7 5.395 1.719 0.017 0.835 1.000 1.000 CB 0.943 6 residues pruned to eliminate duplicates Z: 11 10.277 1.628 0.236 0.887 1.000 0.800 CB 1.165 11 residues pruned to eliminate duplicates Z: 20 32.678 2.081 0.833 0.793 1.000 0.737 CA 1.520 20 residues pruned to eliminate duplicates Z: 10 8.222 1.734 0.375 0.899 0.778 0.778 CB 1.056 10 residues pruned to eliminate duplicates Z: 7 3.574 1.452 0.303 0.503 0.833 0.667 CB 0.923 7 residues pruned to eliminate duplicates Z: 16 24.089 1.946 0.914 0.912 1.000 0.800 CA 1.182 16 residues pruned to eliminate duplicates Z: 11 6.176 1.603 0.187 0.506 0.800 0.400 CB 1.275 11 residues pruned to eliminate duplicates Z: 12 23.253 1.925 0.869 0.888 1.000 0.818 CB 1.403 12 residues pruned to eliminate duplicates Z: 8 6.340 1.638 0.490 0.549 1.000 0.714 CA 0.937 8 residues pruned to eliminate duplicates Z: 20 21.981 1.970 0.883 0.671 0.895 0.526 CA 1.298 20 residues pruned to eliminate duplicates Z: 6 2.706 1.272 0.175 0.290 1.000 0.800 N 1.025 Z: 11 5.717 1.765 0.728 0.222 0.700 0.200 CB 1.173 9 residues pruned to eliminate duplicates Z: 23 14.950 1.747 0.682 0.367 0.909 0.636 CB 1.377 23 residues pruned to eliminate duplicates Z: 20 11.593 1.895 0.567 0.466 0.737 0.474 CB 1.259 20 residues pruned to eliminate duplicates Z: 23 20.284 1.824 0.472 0.683 0.955 0.636 CB 1.426 23 residues pruned to eliminate duplicates Z: 14 18.238 1.772 0.679 0.878 1.000 0.538 CA 1.234 14 residues pruned to eliminate duplicates Z: 15 33.629 2.045 1.154 0.919 1.000 0.357 CA 1.438 15 residues pruned to eliminate duplicates Z: 18 16.526 1.871 0.349 0.675 1.000 0.706 CA 1.352 18 residues pruned to eliminate duplicates Z: 16 11.513 1.904 0.465 0.466 0.933 0.667 CB 1.183 16 residues pruned to eliminate duplicates Z: 15 32.953 2.106 0.846 0.900 1.000 0.857 CA 1.618 15 residues pruned to eliminate duplicates Z: 13 17.155 1.800 0.647 0.905 0.917 0.500 CA 1.297 13 residues pruned to eliminate duplicates 6 1.713 1.118 0.437 0.439 0.800 0.600 CB 0.635 ? Z: 8 7.724 1.836 0.489 0.738 0.714 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 14 14.107 1.605 0.712 0.878 0.923 0.538 CB 1.119 14 residues pruned to eliminate duplicates Z: 7 5.920 1.729 -0.153 0.830 1.000 0.667 CB 1.240 7 residues pruned to eliminate duplicates Z: 23 15.715 1.828 0.586 0.634 0.864 0.409 CB 1.180 23 residues pruned to eliminate duplicates Z: 15 19.651 1.852 0.710 0.821 1.000 0.714 CA 1.255 15 residues pruned to eliminate duplicates Z: 50 31.773 1.939 0.576 0.595 0.918 0.571 CB 1.477 53 residues pruned to eliminate duplicates Z: 7 2.904 1.563 0.324 0.249 0.667 0.333 CB 1.148 7 1.483 1.584 -0.012 0.264 0.667 0.500 CB 0.760 ? Z: 14 7.535 1.664 0.491 0.431 0.923 0.692 CB 0.981 14 residues pruned to eliminate duplicates Z: 11 21.472 1.956 1.106 0.917 0.900 0.900 CA 1.292 11 residues pruned to eliminate duplicates Z: 33 25.058 2.043 0.658 0.541 0.875 0.500 CB 1.436 33 residues pruned to eliminate duplicates Z: 49 25.341 1.977 0.542 0.552 0.854 0.562 CB 1.335 49 residues pruned to eliminate duplicates Z: 14 12.313 1.913 0.691 0.393 0.923 0.692 CA 1.282 14 residues pruned to eliminate duplicates Z: 6 5.539 1.678 0.163 0.473 1.000 1.000 CA 1.305 6 residues pruned to eliminate duplicates Z: 13 18.679 1.927 0.664 0.866 0.917 0.667 CA 1.343 13 residues pruned to eliminate duplicates Z: 47 34.452 2.070 0.761 0.546 0.935 0.739 CA 1.424 57 residues pruned to eliminate duplicates Z: 11 18.560 1.956 0.663 0.838 0.900 0.400 CA 1.498 11 residues pruned to eliminate duplicates Z: 11 12.318 1.732 0.519 0.926 1.000 0.800 CB 1.038 11 residues pruned to eliminate duplicates Z: 15 19.638 1.980 0.492 0.832 1.000 0.714 CA 1.335 15 residues pruned to eliminate duplicates Z: 12 12.473 1.698 0.684 0.910 0.909 0.727 CB 1.026 12 residues pruned to eliminate duplicates Z: 6 6.907 1.724 0.513 0.458 1.000 0.600 CB 1.236 6 residues pruned to eliminate duplicates Z: 17 19.299 1.819 0.581 0.873 0.938 0.438 CA 1.303 17 residues pruned to eliminate duplicates Z: 13 14.412 1.655 0.629 0.923 1.000 0.750 CB 1.085 13 residues pruned to eliminate duplicates Z: 15 10.142 1.910 0.717 0.585 0.857 0.571 CB 0.889 15 residues pruned to eliminate duplicates Z: 6 3.074 1.367 0.745 0.361 0.600 0.600 C 1.116 Z: 18 10.297 1.704 0.369 0.593 0.824 0.706 CB 1.190 20 residues pruned to eliminate duplicates Z: 13 8.149 1.710 0.262 0.626 0.833 0.667 CB 1.162 13 residues pruned to eliminate duplicates Z: 7 5.550 1.714 0.442 0.562 0.833 0.833 CA 1.035 7 residues pruned to eliminate duplicates Z: 25 27.425 1.974 1.087 0.595 0.917 0.583 CB 1.353 24 residues pruned to eliminate duplicates Z: 45 29.995 1.984 0.605 0.630 0.955 0.636 CB 1.317 45 residues pruned to eliminate duplicates Z: 8 10.925 1.868 0.242 0.847 1.000 1.000 CB 1.322 8 residues pruned to eliminate duplicates Z: 14 25.505 2.099 0.603 0.927 0.923 0.462 CA 1.596 14 residues pruned to eliminate duplicates Z: 13 16.784 1.882 0.305 0.891 1.000 0.833 CA 1.419 13 residues pruned to eliminate duplicates Z: 11 20.138 1.906 1.165 0.917 1.000 0.900 CA 1.089 11 residues pruned to eliminate duplicates Z: 12 20.705 1.890 0.903 0.936 0.909 0.364 CB 1.330 12 residues pruned to eliminate duplicates Z: 11 4.979 1.690 0.777 0.309 0.800 0.300 CB 0.810 11 residues pruned to eliminate duplicates Z: 7 7.873 1.709 0.707 0.692 0.833 0.500 CB 1.109 7 residues pruned to eliminate duplicates Z: 11 5.349 1.479 0.361 0.434 0.800 0.400 CB 1.124 10 residues pruned to eliminate duplicates Z: 23 20.892 2.068 0.594 0.604 0.864 0.500 CB 1.416 23 residues pruned to eliminate duplicates Z: 13 11.413 1.621 0.400 0.915 0.917 0.750 CB 1.119 13 residues pruned to eliminate duplicates Z: 11 12.002 1.736 0.399 0.918 1.000 0.900 CB 1.102 11 residues pruned to eliminate duplicates Z: 43 18.639 1.900 0.504 0.466 0.857 0.524 CA 1.216 43 residues pruned to eliminate duplicates Z: 21 15.953 1.854 0.785 0.458 0.950 0.600 CB 1.185 21 residues pruned to eliminate duplicates Z: 7 2.307 1.506 0.277 0.337 0.667 0.667 N 0.877 7 residues pruned to eliminate duplicates Z: 19 12.209 1.953 0.434 0.350 0.944 0.556 CB 1.280 19 residues pruned to eliminate duplicates Z: 7 9.804 1.809 0.446 0.794 1.000 0.667 CA 1.183 7 residues pruned to eliminate duplicates Z: 14 12.632 1.871 0.476 0.473 0.923 0.692 CB 1.413 14 residues pruned to eliminate duplicates Z: 40 31.654 2.007 0.686 0.614 0.949 0.538 CB 1.418 40 residues pruned to eliminate duplicates Z: 7 20.785 2.141 1.135 0.828 0.833 0.500 CB 1.677 7 residues pruned to eliminate duplicates Z: 14 15.311 1.915 0.309 0.919 1.000 0.769 CA 1.194 14 residues pruned to eliminate duplicates Z: 9 4.665 1.588 0.721 0.519 0.625 0.625 CB 0.947 Z: 8 3.608 1.343 0.448 0.379 0.714 0.571 N 1.117 6 1.645 1.515 -0.324 0.302 0.800 0.200 CB 1.119 ? Z: 43 27.024 2.029 0.427 0.556 0.952 0.619 CA 1.431 43 residues pruned to eliminate duplicates Z: 18 15.862 2.123 0.244 0.599 0.882 0.588 CB 1.502 18 residues pruned to eliminate duplicates Z: 16 8.062 1.787 0.525 0.351 0.733 0.467 CA 1.223 16 residues pruned to eliminate duplicates Z: 32 16.827 1.989 0.527 0.530 0.871 0.710 CB 1.109 32 residues pruned to eliminate duplicates Z: 31 18.007 1.826 0.478 0.512 0.900 0.533 CB 1.338 31 residues pruned to eliminate duplicates Z: 52 33.099 2.019 0.510 0.561 0.961 0.647 CB 1.491 52 residues pruned to eliminate duplicates Z: 14 17.873 1.928 0.392 0.857 1.000 0.769 CA 1.361 14 residues pruned to eliminate duplicates Z: 7 2.257 1.677 0.310 0.327 0.667 0.333 CB 0.761 Z: 16 13.990 1.842 0.690 0.311 1.000 0.400 CB 1.431 16 residues pruned to eliminate duplicates Z: 17 19.668 1.954 0.453 0.866 1.000 0.688 CA 1.268 17 residues pruned to eliminate duplicates Z: 50 29.004 2.037 0.386 0.578 0.939 0.673 CB 1.450 50 residues pruned to eliminate duplicates Z: 29 19.625 1.833 0.709 0.456 0.857 0.607 CB 1.445 29 residues pruned to eliminate duplicates Z: 13 22.541 2.049 0.785 0.916 0.917 0.583 CB 1.370 13 residues pruned to eliminate duplicates Z: 31 18.207 1.924 0.532 0.456 0.933 0.667 CA 1.265 31 residues pruned to eliminate duplicates Z: 7 6.430 1.942 0.150 0.440 1.000 0.833 CA 1.250 7 residues pruned to eliminate duplicates Z: 37 25.620 1.933 0.639 0.516 0.972 0.583 CA 1.364 37 residues pruned to eliminate duplicates Z: 14 17.060 1.797 0.691 0.849 0.923 0.615 CA 1.251 14 residues pruned to eliminate duplicates Z: 13 22.292 1.852 0.956 0.921 1.000 0.583 CA 1.250 13 residues pruned to eliminate duplicates Z: 29 15.849 1.698 0.604 0.443 0.893 0.429 CB 1.306 29 residues pruned to eliminate duplicates Z: 9 2.129 1.521 0.238 0.295 0.875 0.250 CB 0.574 Z: 11 3.616 1.592 0.485 0.150 0.800 0.600 CB 0.931 17 residues pruned to eliminate duplicates Z: 16 15.798 1.634 0.600 0.880 1.000 0.667 CB 1.131 16 residues pruned to eliminate duplicates Z: 11 13.242 1.895 0.264 0.840 1.000 0.700 CB 1.304 11 residues pruned to eliminate duplicates Z: 8 16.671 2.095 0.888 0.656 1.000 0.571 CA 1.378 8 residues pruned to eliminate duplicates Z: 14 9.731 1.783 0.447 0.775 0.769 0.615 CB 1.066 14 residues pruned to eliminate duplicates Z: 17 8.871 1.776 0.232 0.484 0.812 0.562 CB 1.268 17 residues pruned to eliminate duplicates Z: 10 3.011 1.524 -0.009 0.314 0.778 0.444 CB 1.050 Z: 16 7.086 1.680 0.573 0.396 0.667 0.400 CB 1.160 16 residues pruned to eliminate duplicates Z: 11 7.939 1.674 0.623 0.352 1.000 0.600 CB 1.084 11 residues pruned to eliminate duplicates Z: 13 14.352 1.822 0.743 0.926 0.750 0.500 CB 1.219 13 residues pruned to eliminate duplicates Z: 16 13.461 1.816 0.553 0.399 1.000 0.867 CB 1.371 16 residues pruned to eliminate duplicates Z: 41 29.622 1.897 0.586 0.666 0.925 0.600 CB 1.444 41 residues pruned to eliminate duplicates Z: 47 20.692 1.940 0.533 0.481 0.848 0.435 CB 1.233 47 residues pruned to eliminate duplicates Z: 11 3.867 1.402 0.401 0.265 0.800 0.700 N 1.017 11 residues pruned to eliminate duplicates Z: 73 28.289 1.946 0.489 0.410 0.944 0.597 CB 1.339 124 residues pruned to eliminate duplicates Z: 24 22.268 2.045 0.574 0.615 0.913 0.565 CA 1.417 24 residues pruned to eliminate duplicates Z: 13 15.375 1.909 0.221 0.884 1.000 0.917 CA 1.376 13 residues pruned to eliminate duplicates Z: 39 23.353 1.940 0.472 0.500 0.921 0.553 CA 1.439 39 residues pruned to eliminate duplicates Z: 6 8.694 1.650 0.659 0.520 1.000 1.000 CA 1.393 Z: 7 6.954 1.816 0.506 0.806 0.833 0.500 CB 0.954 7 residues pruned to eliminate duplicates Z: 12 15.239 1.671 0.850 0.854 1.000 0.727 CB 1.098 11 residues pruned to eliminate duplicates Z: 6 3.804 1.559 0.487 0.342 0.800 0.400 CA 1.089 Z: 8 5.492 1.715 0.324 0.635 0.857 0.857 N 0.940 Z: 8 7.616 1.918 0.077 0.485 1.000 0.571 CA 1.414 8 residues pruned to eliminate duplicates Z: 10 10.172 1.719 0.694 0.569 0.889 0.667 CA 1.225 Z: 28 17.994 1.806 0.346 0.542 0.889 0.704 O 1.537 28 residues pruned to eliminate duplicates Z: 8 4.358 1.833 -0.018 0.376 1.000 0.714 CB 1.045 8 residues pruned to eliminate duplicates Z: 22 14.034 1.931 0.552 0.393 0.952 0.571 CA 1.202 22 residues pruned to eliminate duplicates Z: 23 9.298 1.794 0.557 0.277 0.818 0.545 CB 1.115 23 residues pruned to eliminate duplicates Z: 13 18.089 1.838 0.519 0.918 1.000 0.833 CA 1.319 13 residues pruned to eliminate duplicates Z: 6 7.618 1.648 0.820 0.804 0.800 0.800 CB 1.089 6 residues pruned to eliminate duplicates Z: 44 23.985 1.860 0.830 0.530 0.860 0.558 CB 1.213 44 residues pruned to eliminate duplicates Z: 6 5.418 1.506 0.288 0.854 1.000 0.800 CA 0.923 7 residues pruned to eliminate duplicates Z: 7 5.019 1.639 0.733 0.383 0.667 0.500 CB 1.226 Z: 28 20.275 1.837 0.542 0.478 0.963 0.667 CA 1.462 27 residues pruned to eliminate duplicates Z: 18 7.292 1.691 0.649 0.378 0.647 0.471 CA 1.116 12 residues pruned to eliminate duplicates Z: 8 7.734 1.844 0.316 0.811 0.857 0.714 CB 1.072 8 residues pruned to eliminate duplicates Z: 8 3.602 1.428 0.483 0.341 0.857 0.714 CA 0.891 Z: 24 22.667 2.052 0.639 0.562 0.957 0.696 CA 1.383 24 residues pruned to eliminate duplicates Z: 13 21.374 1.905 0.788 0.840 1.000 0.667 CA 1.351 13 residues pruned to eliminate duplicates Z: 19 11.743 1.913 0.580 0.301 0.944 0.611 CB 1.211 19 residues pruned to eliminate duplicates Z: 11 20.600 1.936 1.056 0.877 1.000 0.300 CB 1.189 11 residues pruned to eliminate duplicates Z: 11 8.058 1.749 0.305 0.692 0.800 0.600 CB 1.172 11 residues pruned to eliminate duplicates Z: 6 6.723 1.801 0.522 0.580 1.000 0.200 CB 1.016 6 residues pruned to eliminate duplicates Z: 7 12.697 1.778 1.175 0.792 0.833 0.667 CB 1.245 7 residues pruned to eliminate duplicates 6 1.931 1.340 0.420 0.289 0.600 0.400 CB 0.959 ? Z: 7 3.545 1.578 0.293 0.694 0.833 0.333 CB 0.713 7 residues pruned to eliminate duplicates Z: 6 2.916 1.426 -0.129 0.515 1.000 0.600 C 1.034 Using tripeptides from previous cycle as seeds Z: 6 7.547 1.881 0.579 0.832 0.800 0.600 CA 1.066 6 residues pruned to eliminate duplicates Z: 9 7.309 1.706 0.363 0.603 0.875 0.500 CB 1.151 9 residues pruned to eliminate duplicates Z: 52 29.755 1.957 0.610 0.524 0.882 0.549 CA 1.464 52 residues pruned to eliminate duplicates Z: 11 6.258 1.600 0.590 0.411 0.900 0.400 CA 0.949 11 residues pruned to eliminate duplicates Z: 7 10.522 1.845 0.990 0.565 1.000 0.667 CA 1.099 7 residues pruned to eliminate duplicates Z: 8 6.798 1.709 0.618 0.593 0.857 0.286 CA 0.992 8 residues pruned to eliminate duplicates Z: 12 9.749 1.785 0.328 0.744 0.909 0.727 CA 1.096 12 residues pruned to eliminate duplicates Z: 14 10.371 1.650 0.301 0.755 1.000 0.615 CA 1.068 13 residues pruned to eliminate duplicates Z: 11 8.952 1.638 0.448 0.863 0.900 0.700 CB 0.973 11 residues pruned to eliminate duplicates Z: 14 10.135 1.619 0.423 0.707 0.923 0.615 CA 1.095 14 residues pruned to eliminate duplicates Z: 13 12.541 1.778 0.351 0.710 1.000 0.833 CA 1.245 13 residues pruned to eliminate duplicates Z: 14 9.075 1.597 0.654 0.710 0.846 0.462 CB 0.930 14 residues pruned to eliminate duplicates Z: 29 18.986 1.770 0.553 0.591 0.929 0.643 CB 1.288 33 residues pruned to eliminate duplicates Z: 13 12.994 1.602 0.693 0.881 1.000 0.333 CA 1.001 13 residues pruned to eliminate duplicates Z: 14 12.977 1.735 0.725 0.647 0.923 0.615 CA 1.136 14 residues pruned to eliminate duplicates Z: 15 11.352 1.566 0.640 0.744 0.929 0.286 CB 1.023 15 residues pruned to eliminate duplicates Z: 11 12.058 1.645 0.637 0.902 1.000 0.500 CB 1.010 11 residues pruned to eliminate duplicates Z: 10 9.589 1.894 0.248 0.669 0.889 0.778 CB 1.302 20 residues pruned to eliminate duplicates Z: 7 8.888 1.909 0.179 0.717 1.000 0.667 CB 1.325 7 residues pruned to eliminate duplicates Z: 11 7.336 1.794 0.286 0.559 0.800 0.500 CB 1.187 11 residues pruned to eliminate duplicates Z: 11 7.609 1.788 0.274 0.571 0.800 0.500 CB 1.233 11 residues pruned to eliminate duplicates Z: 10 8.925 1.764 0.497 0.605 0.778 0.556 CB 1.310 10 residues pruned to eliminate duplicates Z: 19 14.193 1.842 0.520 0.501 0.889 0.611 CB 1.343 19 residues pruned to eliminate duplicates Z: 22 13.098 1.764 0.613 0.457 0.905 0.571 CB 1.160 22 residues pruned to eliminate duplicates Z: 20 12.007 1.797 0.379 0.433 0.842 0.526 CB 1.414 20 residues pruned to eliminate duplicates Z: 18 14.128 1.816 0.448 0.486 0.941 0.588 CB 1.404 18 residues pruned to eliminate duplicates Z: 18 15.015 1.815 0.425 0.511 0.941 0.706 CB 1.479 18 residues pruned to eliminate duplicates Z: 8 12.722 1.946 0.550 0.576 1.000 0.857 CA 1.482 8 residues pruned to eliminate duplicates Z: 15 10.900 1.763 0.467 0.466 0.857 0.714 CB 1.360 15 residues pruned to eliminate duplicates Z: 8 15.115 1.979 0.623 0.610 1.000 1.000 CA 1.602 8 residues pruned to eliminate duplicates Z: 14 11.003 1.757 0.757 0.416 0.769 0.538 CA 1.402 14 residues pruned to eliminate duplicates Z: 8 7.139 1.770 0.589 0.430 0.714 0.429 CA 1.444 8 residues pruned to eliminate duplicates Z: 23 12.516 1.885 0.662 0.348 0.727 0.500 CA 1.381 23 residues pruned to eliminate duplicates Z: 26 13.899 1.678 0.507 0.323 0.960 0.400 CB 1.392 26 residues pruned to eliminate duplicates Z: 9 7.346 1.584 1.018 0.515 0.750 0.250 CB 1.067 9 residues pruned to eliminate duplicates Z: 15 11.544 1.749 0.645 0.340 0.857 0.643 CA 1.490 15 residues pruned to eliminate duplicates Z: 26 15.759 1.847 0.590 0.353 0.920 0.600 CA 1.368 26 residues pruned to eliminate duplicates Z: 23 16.702 1.842 0.845 0.400 0.955 0.545 CA 1.220 23 residues pruned to eliminate duplicates Z: 23 14.654 1.844 0.633 0.418 0.864 0.545 CA 1.308 24 residues pruned to eliminate duplicates Z: 7 9.249 1.750 0.792 0.675 1.000 0.500 CB 1.025 7 residues pruned to eliminate duplicates Z: 84 38.020 2.003 0.640 0.480 0.940 0.566 CB 1.379 84 residues pruned to eliminate duplicates Z: 78 32.388 1.965 0.569 0.479 0.922 0.610 CB 1.326 78 residues pruned to eliminate duplicates Z: 69 34.154 2.059 0.518 0.522 0.897 0.574 CB 1.446 69 residues pruned to eliminate duplicates Z: 14 9.971 1.754 0.761 0.445 0.846 0.615 CA 1.120 14 residues pruned to eliminate duplicates Z: 23 11.273 1.793 0.565 0.345 0.773 0.500 CA 1.312 23 residues pruned to eliminate duplicates Z: 126 45.942 1.986 0.579 0.510 0.912 0.568 CB 1.422 126 residues pruned to eliminate duplicates Z: 86 39.649 2.021 0.666 0.481 0.918 0.624 CB 1.420 86 residues pruned to eliminate duplicates Z: 15 10.064 1.695 0.769 0.414 0.857 0.643 CA 1.144 15 residues pruned to eliminate duplicates Z: 25 14.279 1.890 0.584 0.316 0.917 0.542 CA 1.303 25 residues pruned to eliminate duplicates Z: 76 32.473 1.995 0.592 0.470 0.907 0.547 CB 1.343 76 residues pruned to eliminate duplicates Z: 33 17.993 1.974 0.533 0.479 0.812 0.531 CA 1.321 33 residues pruned to eliminate duplicates Z: 33 15.762 1.906 0.621 0.325 0.844 0.531 CA 1.296 33 residues pruned to eliminate duplicates Z: 72 36.785 2.036 0.622 0.482 0.944 0.577 CB 1.427 72 residues pruned to eliminate duplicates Z: 67 35.439 2.060 0.639 0.494 0.894 0.636 CB 1.454 67 residues pruned to eliminate duplicates Z: 70 34.377 2.050 0.615 0.490 0.884 0.652 CB 1.429 70 residues pruned to eliminate duplicates Z: 36 21.940 2.024 0.657 0.463 0.829 0.457 CB 1.386 36 residues pruned to eliminate duplicates Z: 56 35.762 2.083 0.704 0.542 0.927 0.655 CB 1.406 56 residues pruned to eliminate duplicates Z: 54 35.946 2.073 0.689 0.575 0.943 0.604 CB 1.391 54 residues pruned to eliminate duplicates Z: 68 35.663 2.049 0.656 0.492 0.925 0.672 CB 1.399 68 residues pruned to eliminate duplicates Z: 61 35.142 2.084 0.668 0.524 0.917 0.533 CB 1.391 61 residues pruned to eliminate duplicates Z: 63 32.055 2.053 0.619 0.498 0.919 0.613 CB 1.334 63 residues pruned to eliminate duplicates Z: 62 34.074 2.061 0.597 0.517 0.902 0.607 CB 1.445 62 residues pruned to eliminate duplicates Z: 57 32.938 2.045 0.680 0.457 0.946 0.554 CB 1.414 57 residues pruned to eliminate duplicates Z: 103 46.417 2.036 0.673 0.511 0.902 0.588 CB 1.479 103 residues pruned to eliminate duplicates Z: 72 35.118 2.005 0.587 0.489 0.972 0.577 CB 1.363 72 residues pruned to eliminate duplicates Z: 58 32.411 2.066 0.569 0.505 0.947 0.561 CB 1.391 58 residues pruned to eliminate duplicates Z: 62 34.535 2.066 0.666 0.524 0.934 0.672 CB 1.342 62 residues pruned to eliminate duplicates Z: 57 34.136 2.097 0.592 0.529 0.911 0.589 CB 1.457 57 residues pruned to eliminate duplicates Z: 84 34.916 1.999 0.634 0.416 0.904 0.494 CB 1.417 84 residues pruned to eliminate duplicates Z: 53 38.590 2.108 0.668 0.560 0.962 0.615 CB 1.493 53 residues pruned to eliminate duplicates Z: 55 33.457 2.067 0.671 0.547 0.889 0.574 CB 1.416 55 residues pruned to eliminate duplicates Z: 65 31.502 2.025 0.605 0.514 0.875 0.609 CB 1.366 65 residues pruned to eliminate duplicates Z: 39 17.372 1.966 0.466 0.435 0.842 0.500 CB 1.242 39 residues pruned to eliminate duplicates Z: 80 35.944 1.991 0.691 0.464 0.924 0.595 CB 1.349 80 residues pruned to eliminate duplicates Z: 86 39.596 2.013 0.660 0.454 0.953 0.600 CB 1.414 86 residues pruned to eliminate duplicates Z: 63 35.732 2.066 0.763 0.532 0.887 0.613 CB 1.361 63 residues pruned to eliminate duplicates Z: 46 26.430 2.025 0.717 0.462 0.867 0.556 CB 1.359 46 residues pruned to eliminate duplicates Z: 50 21.413 1.947 0.530 0.452 0.857 0.531 CB 1.258 50 residues pruned to eliminate duplicates Z: 67 32.859 2.048 0.686 0.461 0.879 0.515 CB 1.387 67 residues pruned to eliminate duplicates Z: 53 34.858 2.095 0.658 0.572 0.923 0.673 CB 1.406 53 residues pruned to eliminate duplicates Z: 53 37.848 2.082 0.679 0.596 0.981 0.712 CB 1.397 53 residues pruned to eliminate duplicates Z: 54 37.347 2.104 0.646 0.571 0.981 0.623 CB 1.409 54 residues pruned to eliminate duplicates Z: 54 41.323 2.104 0.720 0.588 1.000 0.679 CB 1.441 54 residues pruned to eliminate duplicates Z: 81 39.977 1.998 0.665 0.506 0.938 0.613 CB 1.424 81 residues pruned to eliminate duplicates Z: 44 34.144 2.085 0.808 0.514 0.930 0.535 CB 1.464 44 residues pruned to eliminate duplicates Z: 86 39.547 1.972 0.724 0.495 0.906 0.541 CB 1.399 86 residues pruned to eliminate duplicates Z: 35 24.358 2.005 0.624 0.494 0.941 0.471 CB 1.371 35 residues pruned to eliminate duplicates Z: 44 33.193 2.021 0.737 0.495 1.000 0.581 CA 1.450 44 residues pruned to eliminate duplicates Z: 62 35.469 2.033 0.755 0.517 0.902 0.557 CB 1.389 62 residues pruned to eliminate duplicates Z: 64 35.587 2.045 0.558 0.520 0.952 0.571 CB 1.448 64 residues pruned to eliminate duplicates Z: 20 23.587 2.088 0.756 0.668 0.947 0.579 CB 1.335 20 residues pruned to eliminate duplicates Z: 27 19.988 2.062 0.616 0.544 0.885 0.538 CB 1.273 27 residues pruned to eliminate duplicates Z: 28 18.501 2.024 0.490 0.534 0.889 0.556 CB 1.285 28 residues pruned to eliminate duplicates Z: 68 34.600 2.043 0.602 0.489 0.925 0.582 CB 1.411 68 residues pruned to eliminate duplicates Z: 39 25.923 2.014 0.616 0.484 0.921 0.526 CB 1.425 39 residues pruned to eliminate duplicates Z: 9 8.767 2.065 0.338 0.286 0.875 0.375 CA 1.631 9 residues pruned to eliminate duplicates Z: 12 14.904 2.073 0.421 0.752 0.909 0.364 CB 1.341 12 residues pruned to eliminate duplicates Z: 10 22.272 2.196 0.800 0.880 1.000 0.444 CB 1.360 10 residues pruned to eliminate duplicates Z: 18 16.139 2.056 0.602 0.613 0.824 0.471 CB 1.297 18 residues pruned to eliminate duplicates Z: 20 22.992 2.099 0.682 0.643 0.947 0.421 CB 1.380 20 residues pruned to eliminate duplicates Z: 78 42.886 2.007 0.784 0.494 0.948 0.519 CB 1.448 78 residues pruned to eliminate duplicates Z: 37 26.479 2.015 0.714 0.489 0.944 0.417 CB 1.368 37 residues pruned to eliminate duplicates Z: 39 20.124 1.916 0.585 0.461 0.921 0.447 CB 1.214 39 residues pruned to eliminate duplicates Z: 20 24.453 2.032 0.842 0.674 0.895 0.421 CB 1.427 20 residues pruned to eliminate duplicates Z: 63 39.205 2.055 0.728 0.557 0.952 0.516 CB 1.394 63 residues pruned to eliminate duplicates Z: 23 20.941 2.016 0.521 0.621 0.955 0.409 CB 1.361 23 residues pruned to eliminate duplicates Z: 26 18.642 1.956 0.650 0.480 0.880 0.400 CB 1.339 26 residues pruned to eliminate duplicates Z: 67 38.332 2.052 0.700 0.497 0.939 0.500 CB 1.444 67 residues pruned to eliminate duplicates Z: 63 32.713 2.023 0.674 0.475 0.871 0.484 CB 1.445 63 residues pruned to eliminate duplicates Z: 27 21.446 2.038 0.689 0.558 0.885 0.538 CB 1.306 27 residues pruned to eliminate duplicates Z: 11 7.393 1.787 0.349 0.493 0.800 0.400 CA 1.221 11 residues pruned to eliminate duplicates Z: 9 6.108 1.810 0.434 0.402 0.875 0.500 CB 1.054 9 residues pruned to eliminate duplicates Z: 23 14.179 1.885 0.625 0.458 0.864 0.545 CA 1.193 23 residues pruned to eliminate duplicates Z: 85 36.243 1.963 0.650 0.466 0.917 0.595 CB 1.379 85 residues pruned to eliminate duplicates Z: 19 19.187 2.029 0.597 0.666 0.833 0.667 CA 1.436 19 residues pruned to eliminate duplicates Z: 20 20.302 2.014 0.621 0.624 0.895 0.632 CA 1.418 20 residues pruned to eliminate duplicates Z: 27 22.449 1.908 0.588 0.617 0.923 0.615 CA 1.409 27 residues pruned to eliminate duplicates Z: 19 22.809 1.990 0.683 0.702 0.944 0.778 CA 1.414 19 residues pruned to eliminate duplicates Z: 19 22.872 2.013 0.551 0.699 0.944 0.444 CA 1.526 19 residues pruned to eliminate duplicates Z: 20 24.478 1.958 0.817 0.650 0.947 0.632 CA 1.449 20 residues pruned to eliminate duplicates Z: 21 25.537 1.974 0.787 0.639 0.950 0.700 CA 1.496 21 residues pruned to eliminate duplicates Z: 31 22.498 1.906 0.738 0.562 0.800 0.467 CA 1.459 31 residues pruned to eliminate duplicates Z: 19 25.027 1.976 0.667 0.719 0.944 0.444 CA 1.555 19 residues pruned to eliminate duplicates Z: 18 22.045 2.033 0.596 0.736 0.941 0.588 CA 1.418 18 residues pruned to eliminate duplicates Z: 19 25.752 1.996 0.700 0.682 0.944 0.444 CA 1.602 19 residues pruned to eliminate duplicates Z: 25 22.206 1.991 0.786 0.653 0.750 0.458 CB 1.474 25 residues pruned to eliminate duplicates Z: 19 24.249 2.005 0.636 0.678 0.944 0.500 CA 1.566 19 residues pruned to eliminate duplicates Z: 28 22.727 1.924 0.662 0.636 0.852 0.481 CB 1.413 28 residues pruned to eliminate duplicates Z: 43 36.205 2.022 0.778 0.640 0.952 0.429 CA 1.431 43 residues pruned to eliminate duplicates Z: 55 33.516 1.979 0.740 0.622 0.870 0.574 CA 1.356 53 residues pruned to eliminate duplicates Z: 15 30.081 2.100 0.881 0.872 0.929 0.357 CA 1.598 15 residues pruned to eliminate duplicates Z: 33 32.235 2.051 0.845 0.553 1.000 0.531 CA 1.430 33 residues pruned to eliminate duplicates Z: 52 32.701 1.998 0.714 0.602 0.843 0.569 CA 1.439 52 residues pruned to eliminate duplicates Z: 43 25.502 1.986 0.655 0.533 0.881 0.476 CA 1.316 43 residues pruned to eliminate duplicates Z: 27 27.723 2.012 0.932 0.591 0.885 0.423 CB 1.450 29 residues pruned to eliminate duplicates Z: 6 7.429 1.855 0.607 0.672 1.000 0.800 CA 0.951 6 residues pruned to eliminate duplicates Z: 39 30.261 2.044 0.635 0.550 0.947 0.632 CA 1.477 39 residues pruned to eliminate duplicates Z: 66 29.125 1.913 0.644 0.554 0.815 0.538 CA 1.336 66 residues pruned to eliminate duplicates Z: 30 29.781 2.019 0.828 0.505 0.966 0.345 CA 1.544 30 residues pruned to eliminate duplicates Z: 44 25.716 1.931 0.737 0.479 0.837 0.535 CA 1.426 44 residues pruned to eliminate duplicates Z: 46 26.955 1.978 0.708 0.558 0.889 0.644 CA 1.264 46 residues pruned to eliminate duplicates Z: 18 19.853 2.008 0.727 0.437 1.000 0.529 CA 1.483 18 residues pruned to eliminate duplicates Z: 33 30.200 2.071 0.732 0.588 0.969 0.438 CA 1.412 33 residues pruned to eliminate duplicates Z: 42 29.100 1.950 0.781 0.549 0.902 0.341 CB 1.382 42 residues pruned to eliminate duplicates Z: 28 22.062 1.984 0.856 0.504 0.852 0.333 CB 1.348 28 residues pruned to eliminate duplicates Z: 30 24.348 1.925 0.863 0.518 0.897 0.448 CA 1.382 30 residues pruned to eliminate duplicates Z: 58 33.541 1.955 0.706 0.584 0.912 0.456 CA 1.347 58 residues pruned to eliminate duplicates Z: 29 22.951 1.885 0.760 0.570 0.929 0.571 CA 1.316 29 residues pruned to eliminate duplicates Z: 51 31.128 1.995 0.715 0.569 0.860 0.640 CA 1.400 51 residues pruned to eliminate duplicates Z: 32 21.155 1.885 0.817 0.468 0.871 0.452 CB 1.316 32 residues pruned to eliminate duplicates Z: 22 14.911 1.840 0.542 0.575 0.857 0.476 CA 1.244 24 residues pruned to eliminate duplicates Z: 9 12.988 1.855 1.053 0.844 0.875 0.250 CB 1.025 9 residues pruned to eliminate duplicates Z: 49 37.964 1.981 0.849 0.586 0.958 0.542 CA 1.438 49 residues pruned to eliminate duplicates Z: 52 28.888 1.957 0.613 0.503 0.922 0.451 CB 1.387 52 residues pruned to eliminate duplicates Z: 37 20.125 1.841 0.628 0.433 0.861 0.528 CB 1.393 37 residues pruned to eliminate duplicates Z: 35 22.389 1.885 0.642 0.443 0.941 0.500 CB 1.398 35 residues pruned to eliminate duplicates Z: 12 8.103 1.761 0.356 0.400 0.818 0.636 CB 1.389 12 residues pruned to eliminate duplicates Z: 23 18.119 1.863 0.691 0.635 0.818 0.500 CB 1.321 23 residues pruned to eliminate duplicates Z: 11 8.672 1.805 0.402 0.433 0.900 0.600 CA 1.291 11 residues pruned to eliminate duplicates Z: 17 9.660 1.760 0.336 0.421 0.875 0.562 CB 1.275 17 residues pruned to eliminate duplicates Z: 34 23.407 2.016 0.609 0.484 0.909 0.636 CA 1.405 34 residues pruned to eliminate duplicates Z: 35 22.828 1.984 0.602 0.482 0.912 0.559 CA 1.376 35 residues pruned to eliminate duplicates Z: 7 4.259 1.822 0.199 0.461 0.833 0.500 CA 0.993 7 residues pruned to eliminate duplicates Z: 46 23.841 1.880 0.677 0.432 0.911 0.533 CB 1.327 46 residues pruned to eliminate duplicates Z: 37 18.612 1.920 0.548 0.436 0.861 0.611 CA 1.294 37 residues pruned to eliminate duplicates Z: 39 22.985 1.891 0.608 0.522 0.921 0.526 CB 1.302 39 residues pruned to eliminate duplicates Z: 19 13.397 1.726 0.343 0.707 0.889 0.722 CA 1.270 19 residues pruned to eliminate duplicates Z: 33 20.945 2.013 0.484 0.478 0.938 0.750 CA 1.352 33 residues pruned to eliminate duplicates Z: 38 19.777 1.915 0.597 0.457 0.892 0.622 CA 1.246 38 residues pruned to eliminate duplicates Z: 33 21.862 1.920 0.741 0.479 0.906 0.781 CB 1.304 33 residues pruned to eliminate duplicates Z: 30 22.036 2.000 0.702 0.484 0.931 0.655 CA 1.311 30 residues pruned to eliminate duplicates Z: 39 24.365 1.951 0.707 0.452 0.895 0.579 CA 1.393 39 residues pruned to eliminate duplicates Z: 31 20.434 1.947 0.609 0.464 0.900 0.633 CA 1.372 31 residues pruned to eliminate duplicates Z: 36 23.487 1.966 0.619 0.482 0.943 0.600 CA 1.347 36 residues pruned to eliminate duplicates Z: 33 20.950 1.955 0.628 0.449 0.906 0.625 CA 1.353 33 residues pruned to eliminate duplicates Z: 38 23.038 1.943 0.620 0.466 0.919 0.514 CA 1.356 38 residues pruned to eliminate duplicates Z: 47 25.122 1.909 0.629 0.487 0.913 0.478 CA 1.321 47 residues pruned to eliminate duplicates Z: 50 22.919 1.834 0.605 0.493 0.878 0.551 CA 1.276 50 residues pruned to eliminate duplicates Z: 35 23.504 2.004 0.543 0.480 0.941 0.588 CA 1.413 35 residues pruned to eliminate duplicates Z: 37 21.859 1.984 0.629 0.450 0.889 0.667 CA 1.335 37 residues pruned to eliminate duplicates Z: 39 21.811 1.927 0.596 0.469 0.895 0.658 CA 1.327 39 residues pruned to eliminate duplicates Z: 34 22.846 2.005 0.655 0.474 0.939 0.606 CA 1.311 34 residues pruned to eliminate duplicates Z: 37 19.347 1.901 0.684 0.473 0.889 0.694 CA 1.164 37 residues pruned to eliminate duplicates Z: 39 20.651 1.874 0.630 0.486 0.921 0.632 CA 1.208 39 residues pruned to eliminate duplicates Z: 37 19.090 1.925 0.550 0.437 0.917 0.556 CA 1.241 37 residues pruned to eliminate duplicates Z: 36 21.994 1.921 0.584 0.494 0.971 0.657 CA 1.265 36 residues pruned to eliminate duplicates Z: 37 19.652 1.955 0.515 0.453 0.917 0.639 CA 1.266 37 residues pruned to eliminate duplicates Z: 34 20.281 1.978 0.496 0.481 0.939 0.727 CA 1.294 34 residues pruned to eliminate duplicates Z: 39 22.853 1.909 0.766 0.451 0.921 0.684 CA 1.255 39 residues pruned to eliminate duplicates Z: 36 20.299 1.954 0.665 0.431 0.914 0.600 CA 1.239 36 residues pruned to eliminate duplicates Z: 15 9.225 1.926 0.522 0.323 0.857 0.571 CB 1.191 15 residues pruned to eliminate duplicates Z: 20 20.592 1.835 0.784 0.690 0.947 0.632 CA 1.280 20 residues pruned to eliminate duplicates Z: 38 25.259 1.828 0.551 0.631 0.973 0.622 CA 1.332 38 residues pruned to eliminate duplicates Z: 38 23.004 1.811 0.564 0.652 0.946 0.568 CB 1.225 38 residues pruned to eliminate duplicates Z: 26 19.705 1.771 0.778 0.657 0.960 0.640 CB 1.127 26 residues pruned to eliminate duplicates Z: 24 18.271 1.761 0.726 0.580 0.957 0.435 CB 1.214 24 residues pruned to eliminate duplicates Z: 24 20.603 1.814 0.790 0.672 0.913 0.609 CB 1.237 24 residues pruned to eliminate duplicates Z: 49 24.999 1.813 0.536 0.588 0.917 0.688 CA 1.299 49 residues pruned to eliminate duplicates Z: 11 7.633 1.724 0.580 0.376 0.700 0.300 CA 1.446 11 residues pruned to eliminate duplicates Z: 27 17.178 1.779 0.730 0.560 0.923 0.385 CB 1.119 24 residues pruned to eliminate duplicates Z: 6 4.397 1.349 0.937 0.403 1.000 0.800 CA 0.833 6 residues pruned to eliminate duplicates Z: 39 25.019 1.819 0.657 0.615 0.974 0.711 CB 1.240 39 residues pruned to eliminate duplicates Z: 39 24.543 1.832 0.670 0.627 0.921 0.553 CB 1.253 39 residues pruned to eliminate duplicates Z: 27 23.040 1.875 0.620 0.562 1.000 0.731 CB 1.400 27 residues pruned to eliminate duplicates Z: 40 23.194 1.787 0.666 0.596 0.897 0.538 CB 1.268 40 residues pruned to eliminate duplicates Z: 53 27.036 1.862 0.533 0.570 0.942 0.596 CA 1.303 48 residues pruned to eliminate duplicates Z: 16 20.833 1.939 0.555 0.718 1.000 0.800 CB 1.465 16 residues pruned to eliminate duplicates Z: 43 22.799 1.779 0.606 0.506 0.929 0.619 CA 1.318 43 residues pruned to eliminate duplicates Z: 50 27.405 1.777 0.686 0.591 0.918 0.592 CA 1.304 54 residues pruned to eliminate duplicates Z: 12 16.739 1.925 0.458 0.909 1.000 0.909 CB 1.276 12 residues pruned to eliminate duplicates Z: 38 24.664 1.821 0.745 0.598 0.892 0.541 CB 1.303 38 residues pruned to eliminate duplicates Z: 12 13.547 1.936 0.288 0.883 0.909 0.727 CB 1.303 12 residues pruned to eliminate duplicates Z: 39 23.301 1.837 0.677 0.592 0.868 0.579 CB 1.294 39 residues pruned to eliminate duplicates Z: 46 22.032 1.765 0.612 0.558 0.911 0.578 CB 1.197 46 residues pruned to eliminate duplicates Z: 43 26.868 1.805 0.686 0.636 0.929 0.571 CB 1.291 37 residues pruned to eliminate duplicates Z: 12 18.303 1.915 0.624 0.925 0.909 0.909 CB 1.370 12 residues pruned to eliminate duplicates Z: 28 21.889 1.808 0.678 0.560 0.963 0.593 CB 1.360 28 residues pruned to eliminate duplicates Z: 41 23.760 1.822 0.696 0.603 0.850 0.675 CB 1.297 41 residues pruned to eliminate duplicates Z: 61 33.801 1.872 0.591 0.631 0.967 0.750 CA 1.340 60 residues pruned to eliminate duplicates Z: 16 14.321 1.810 0.515 0.710 0.933 0.667 CB 1.194 16 residues pruned to eliminate duplicates Z: 43 20.079 1.879 0.344 0.555 0.905 0.643 CA 1.285 41 residues pruned to eliminate duplicates Z: 9 8.084 1.725 0.723 0.604 0.875 0.625 CA 0.996 9 residues pruned to eliminate duplicates Z: 43 19.500 1.882 0.469 0.518 0.857 0.643 CB 1.247 43 residues pruned to eliminate duplicates Z: 25 13.857 1.835 0.452 0.425 0.958 0.667 CA 1.198 25 residues pruned to eliminate duplicates Z: 51 27.340 1.892 0.617 0.547 0.880 0.560 CA 1.372 51 residues pruned to eliminate duplicates Z: 46 22.794 1.775 0.594 0.456 0.933 0.667 CB 1.346 46 residues pruned to eliminate duplicates Z: 53 28.381 1.841 0.590 0.562 0.923 0.654 CA 1.372 53 residues pruned to eliminate duplicates Z: 43 22.401 1.799 0.714 0.465 0.881 0.643 CA 1.319 43 residues pruned to eliminate duplicates Z: 28 13.673 1.718 0.555 0.424 0.852 0.519 CA 1.251 28 residues pruned to eliminate duplicates Z: 68 30.900 1.836 0.643 0.583 0.910 0.493 CB 1.269 68 residues pruned to eliminate duplicates Z: 62 35.314 1.883 0.674 0.612 0.934 0.672 CB 1.381 62 residues pruned to eliminate duplicates Z: 52 21.945 1.806 0.551 0.459 0.941 0.588 CA 1.216 52 residues pruned to eliminate duplicates Z: 27 17.225 1.853 0.476 0.597 0.962 0.769 CA 1.172 27 residues pruned to eliminate duplicates Z: 45 20.960 1.863 0.405 0.562 0.864 0.659 CB 1.316 44 residues pruned to eliminate duplicates Z: 13 15.370 2.010 0.341 0.890 1.000 0.667 CA 1.184 13 residues pruned to eliminate duplicates Z: 28 15.328 1.882 0.315 0.582 0.889 0.593 CA 1.239 28 residues pruned to eliminate duplicates Z: 38 19.021 1.821 0.423 0.553 0.865 0.568 CB 1.325 38 residues pruned to eliminate duplicates Z: 28 18.487 1.854 0.490 0.609 0.926 0.667 CA 1.255 28 residues pruned to eliminate duplicates Z: 27 19.850 1.865 0.493 0.634 0.962 0.615 CA 1.282 27 residues pruned to eliminate duplicates Z: 28 20.838 1.845 0.622 0.588 0.963 0.593 CA 1.279 28 residues pruned to eliminate duplicates Z: 20 17.106 1.894 0.404 0.697 0.947 0.632 CB 1.301 20 residues pruned to eliminate duplicates Z: 8 10.629 1.826 0.616 0.622 0.857 0.857 CB 1.416 8 residues pruned to eliminate duplicates Z: 18 9.105 1.808 0.319 0.503 0.824 0.706 CB 1.121 18 residues pruned to eliminate duplicates Z: 10 7.326 1.780 0.303 0.451 0.889 0.222 CB 1.246 10 residues pruned to eliminate duplicates Z: 32 23.439 2.020 0.497 0.619 0.903 0.581 CB 1.377 32 residues pruned to eliminate duplicates Z: 17 10.241 1.833 0.382 0.554 0.812 0.812 CB 1.180 17 residues pruned to eliminate duplicates Z: 9 7.380 1.879 0.068 0.747 1.000 0.875 CB 1.043 10 residues pruned to eliminate duplicates Z: 8 8.765 1.779 0.484 0.832 1.000 1.000 CB 0.941 8 residues pruned to eliminate duplicates Z: 9 10.968 1.715 0.483 0.842 1.000 0.875 CB 1.137 9 residues pruned to eliminate duplicates Z: 16 12.853 1.912 0.536 0.569 0.867 0.800 CB 1.219 16 residues pruned to eliminate duplicates Z: 16 10.302 1.823 0.433 0.571 0.867 0.733 CB 1.097 16 residues pruned to eliminate duplicates Z: 9 7.948 1.707 0.401 0.695 0.875 0.750 CB 1.124 9 residues pruned to eliminate duplicates Z: 16 10.715 1.846 0.558 0.524 0.933 0.733 CB 1.006 16 residues pruned to eliminate duplicates Z: 11 10.484 1.549 0.681 0.872 1.000 0.900 CB 0.928 10 residues pruned to eliminate duplicates Z: 6 3.717 1.348 0.738 0.299 1.000 0.600 CA 0.888 6 residues pruned to eliminate duplicates Z: 13 16.033 1.815 0.777 0.754 0.917 0.750 CA 1.248 13 residues pruned to eliminate duplicates Z: 10 10.005 1.814 0.457 0.592 0.889 0.667 CA 1.300 10 residues pruned to eliminate duplicates Z: 12 14.159 1.936 0.398 0.669 1.000 0.727 CA 1.349 13 residues pruned to eliminate duplicates Z: 9 10.038 1.749 0.455 0.852 0.875 0.500 CA 1.179 8 residues pruned to eliminate duplicates Z: 9 10.635 1.758 0.420 0.870 1.000 0.375 CA 1.099 9 residues pruned to eliminate duplicates Z: 8 10.166 1.786 0.221 0.837 1.000 0.714 CA 1.318 8 residues pruned to eliminate duplicates Z: 12 13.986 1.932 0.488 0.662 0.909 0.818 CA 1.389 12 residues pruned to eliminate duplicates Z: 13 13.493 1.832 0.618 0.608 0.917 0.750 CA 1.293 13 residues pruned to eliminate duplicates Z: 7 4.460 1.591 0.536 0.269 0.833 0.667 CA 1.163 Z: 6 5.376 1.315 0.965 0.418 1.000 0.800 CA 1.013 5 residues pruned to eliminate duplicates Z: 7 5.529 1.766 0.501 0.567 0.667 0.667 CA 1.198 10 residues pruned to eliminate duplicates Z: 7 6.769 1.612 0.481 0.613 0.833 0.333 CB 1.249 6 residues pruned to eliminate duplicates Z: 6 2.977 1.533 0.888 0.580 0.600 0.400 CA 0.710 6 residues pruned to eliminate duplicates Z: 22 8.759 1.660 0.428 0.378 0.762 0.524 CB 1.205 10 residues pruned to eliminate duplicates Z: 8 6.848 1.586 0.337 0.484 1.000 0.714 CA 1.240 8 residues pruned to eliminate duplicates Z: 34 23.186 2.006 0.560 0.533 0.909 0.667 CA 1.373 34 residues pruned to eliminate duplicates Z: 16 13.870 1.911 0.437 0.496 1.000 0.867 CA 1.310 16 residues pruned to eliminate duplicates Z: 31 24.202 2.042 0.564 0.570 0.933 0.600 CA 1.385 31 residues pruned to eliminate duplicates Z: 36 23.260 2.014 0.602 0.485 0.914 0.514 CB 1.353 36 residues pruned to eliminate duplicates Z: 28 15.173 1.769 0.425 0.475 0.926 0.630 CB 1.284 28 residues pruned to eliminate duplicates Z: 18 12.889 1.952 0.440 0.424 0.882 0.647 CA 1.364 18 residues pruned to eliminate duplicates Z: 15 15.401 1.888 0.745 0.472 0.929 0.571 CB 1.385 15 residues pruned to eliminate duplicates Z: 15 16.735 1.982 0.617 0.513 0.929 0.714 CB 1.485 15 residues pruned to eliminate duplicates Z: 17 13.343 1.965 0.513 0.431 0.875 0.500 CB 1.378 17 residues pruned to eliminate duplicates Z: 22 23.884 2.061 0.634 0.657 0.952 0.762 CB 1.405 22 residues pruned to eliminate duplicates Z: 31 22.253 2.013 0.588 0.542 0.900 0.700 CA 1.355 31 residues pruned to eliminate duplicates Z: 31 22.848 2.011 0.531 0.563 0.933 0.733 CA 1.366 31 residues pruned to eliminate duplicates Z: 10 13.840 2.016 0.916 0.808 0.889 0.778 CB 1.027 10 residues pruned to eliminate duplicates Z: 24 19.587 2.014 0.661 0.577 0.870 0.609 CA 1.303 24 residues pruned to eliminate duplicates Z: 48 33.185 2.033 0.686 0.573 0.936 0.574 CA 1.405 48 residues pruned to eliminate duplicates Z: 33 22.843 1.975 0.569 0.543 0.938 0.656 CA 1.333 33 residues pruned to eliminate duplicates Z: 31 25.561 2.042 0.537 0.615 0.967 0.800 CA 1.379 31 residues pruned to eliminate duplicates Z: 33 26.463 2.072 0.495 0.638 0.938 0.625 CB 1.415 33 residues pruned to eliminate duplicates Z: 32 27.444 2.029 0.604 0.604 0.968 0.710 CA 1.417 32 residues pruned to eliminate duplicates Z: 30 23.336 1.981 0.557 0.559 1.000 0.655 CB 1.327 30 residues pruned to eliminate duplicates Z: 32 22.837 1.955 0.646 0.575 0.935 0.677 CA 1.268 32 residues pruned to eliminate duplicates Z: 33 24.320 1.973 0.629 0.600 0.969 0.688 CA 1.255 33 residues pruned to eliminate duplicates Z: 67 30.384 1.975 0.489 0.479 0.909 0.591 CB 1.429 67 residues pruned to eliminate duplicates Z: 30 19.781 1.931 0.535 0.545 0.862 0.621 CB 1.376 30 residues pruned to eliminate duplicates Z: 40 28.633 2.040 0.620 0.493 0.949 0.538 CB 1.473 41 residues pruned to eliminate duplicates Z: 6 5.546 1.823 0.064 0.440 1.000 1.000 CA 1.360 Z: 15 17.034 1.983 0.646 0.733 0.857 0.500 CA 1.320 15 residues pruned to eliminate duplicates Z: 46 25.773 1.962 0.582 0.476 0.933 0.422 CB 1.359 46 residues pruned to eliminate duplicates Z: 19 17.006 1.945 0.757 0.504 0.778 0.500 CB 1.501 19 residues pruned to eliminate duplicates Z: 27 21.599 2.039 0.718 0.461 0.846 0.538 CA 1.487 27 residues pruned to eliminate duplicates Z: 49 33.595 2.002 0.882 0.543 0.917 0.625 CB 1.346 49 residues pruned to eliminate duplicates Z: 28 26.049 2.039 0.651 0.521 0.963 0.815 CA 1.515 28 residues pruned to eliminate duplicates Z: 38 27.098 2.002 0.818 0.551 0.865 0.595 CA 1.346 38 residues pruned to eliminate duplicates Z: 43 22.730 1.959 0.577 0.464 0.905 0.667 CB 1.301 43 residues pruned to eliminate duplicates Z: 40 29.027 2.079 0.683 0.571 0.923 0.692 CA 1.344 40 residues pruned to eliminate duplicates Z: 29 25.570 2.001 0.611 0.516 1.000 0.714 CA 1.476 29 residues pruned to eliminate duplicates Z: 60 36.609 2.046 0.744 0.530 0.915 0.695 CA 1.417 60 residues pruned to eliminate duplicates Z: 60 36.512 2.037 0.651 0.541 0.932 0.729 CA 1.456 60 residues pruned to eliminate duplicates Z: 60 36.721 2.026 0.688 0.532 0.932 0.644 CB 1.453 60 residues pruned to eliminate duplicates Z: 40 24.392 1.985 0.715 0.458 0.846 0.615 CB 1.416 40 residues pruned to eliminate duplicates Z: 61 39.670 2.065 0.711 0.554 0.950 0.700 CB 1.447 61 residues pruned to eliminate duplicates Z: 31 23.269 2.070 0.591 0.445 0.933 0.633 CB 1.462 31 residues pruned to eliminate duplicates Z: 7 6.596 1.503 0.653 0.512 1.000 0.500 O 1.071 7 residues pruned to eliminate duplicates Z: 39 26.806 2.053 0.625 0.488 0.895 0.763 CB 1.474 39 residues pruned to eliminate duplicates Z: 61 34.010 2.018 0.635 0.521 0.917 0.700 CB 1.422 61 residues pruned to eliminate duplicates Z: 29 24.945 1.988 0.615 0.525 0.964 0.821 CA 1.486 29 residues pruned to eliminate duplicates Z: 15 14.876 1.972 0.569 0.393 1.000 0.714 CB 1.438 15 residues pruned to eliminate duplicates Z: 6 4.499 1.612 0.168 0.452 1.000 0.600 N 1.122 6 residues pruned to eliminate duplicates Z: 11 9.806 1.764 0.652 0.439 0.900 0.800 CB 1.260 12 residues pruned to eliminate duplicates Z: 7 4.389 1.367 0.248 0.569 1.000 0.667 CB 0.983 7 residues pruned to eliminate duplicates Z: 9 10.592 1.768 0.526 0.586 1.000 0.875 CB 1.278 9 residues pruned to eliminate duplicates Z: 10 6.287 1.826 0.155 0.578 0.778 0.667 CB 1.185 10 residues pruned to eliminate duplicates Z: 18 6.486 1.780 0.446 0.297 0.765 0.235 CB 1.004 20 residues pruned to eliminate duplicates 6 1.879 1.495 0.902 0.228 0.400 0.400 CA 1.014 ? 6 1.312 1.163 0.163 0.302 0.800 0.200 N 0.676 ? Z: 7 3.472 1.497 0.119 0.621 0.833 0.667 CA 0.906 7 residues pruned to eliminate duplicates Z: 35 17.728 1.770 0.735 0.509 0.853 0.529 CB 1.150 35 residues pruned to eliminate duplicates Z: 11 4.291 1.772 0.364 0.269 0.700 0.500 CB 1.042 11 residues pruned to eliminate duplicates Z: 9 8.555 1.670 0.551 0.491 0.875 0.750 N 1.346 9 residues pruned to eliminate duplicates Z: 45 24.692 1.874 0.590 0.588 0.841 0.591 CB 1.365 45 residues pruned to eliminate duplicates Z: 14 13.451 1.797 0.710 0.610 0.923 0.615 CB 1.185 14 residues pruned to eliminate duplicates Z: 6 2.008 1.510 0.456 0.506 1.000 0.800 CB 0.406 6 residues pruned to eliminate duplicates Z: 8 3.748 1.427 0.565 0.426 0.714 0.429 CB 0.959 8 residues pruned to eliminate duplicates Z: 14 9.251 1.736 0.422 0.491 0.923 0.846 CA 1.136 14 residues pruned to eliminate duplicates Z: 13 7.582 1.774 0.496 0.465 0.833 0.583 CB 1.025 13 residues pruned to eliminate duplicates Z: 8 8.549 1.793 0.360 0.729 1.000 0.571 CB 1.079 8 residues pruned to eliminate duplicates Z: 8 9.367 1.721 0.567 0.886 0.857 0.571 CA 1.105 8 residues pruned to eliminate duplicates Z: 44 19.774 1.861 0.482 0.563 0.860 0.628 CB 1.195 44 residues pruned to eliminate duplicates Z: 14 12.942 1.783 0.862 0.611 0.846 0.692 CB 1.150 14 residues pruned to eliminate duplicates Z: 15 10.454 1.761 0.677 0.565 0.857 0.643 CB 1.036 15 residues pruned to eliminate duplicates Z: 11 5.912 1.664 0.517 0.585 0.900 0.800 CB 0.758 11 residues pruned to eliminate duplicates Z: 6 7.693 1.535 0.649 0.773 1.000 0.800 CA 1.068 Z: 9 10.180 1.806 0.376 0.697 0.875 0.625 CB 1.383 9 residues pruned to eliminate duplicates Z: 13 7.905 1.772 0.394 0.471 0.833 0.750 CB 1.142 13 residues pruned to eliminate duplicates Z: 7 14.062 1.828 0.574 0.857 1.000 0.667 N 1.469 8 residues pruned to eliminate duplicates Z: 9 11.702 1.767 0.533 0.812 1.000 0.250 CB 1.164 8 residues pruned to eliminate duplicates Z: 7 8.250 1.829 0.366 0.701 0.833 0.667 CB 1.347 7 residues pruned to eliminate duplicates Z: 9 6.526 1.653 0.485 0.635 0.750 0.500 CA 1.104 9 residues pruned to eliminate duplicates Z: 22 8.335 1.722 0.349 0.402 0.857 0.619 CB 1.012 22 residues pruned to eliminate duplicates Z: 15 11.689 1.779 0.608 0.549 0.929 0.786 CB 1.121 15 residues pruned to eliminate duplicates Z: 6 2.250 1.494 0.912 0.100 0.600 0.400 CA 0.979 6 residues pruned to eliminate duplicates Z: 9 7.012 2.014 0.744 0.290 0.750 0.125 CB 1.192 9 residues pruned to eliminate duplicates Z: 36 15.920 1.821 0.486 0.482 0.886 0.457 CB 1.143 41 residues pruned to eliminate duplicates Z: 7 7.035 1.747 0.685 0.429 1.000 0.500 CA 1.050 7 residues pruned to eliminate duplicates Z: 12 12.130 1.841 0.368 0.793 0.818 0.727 CB 1.372 11 residues pruned to eliminate duplicates Z: 10 8.548 1.894 0.377 0.727 0.667 0.444 CA 1.336 10 residues pruned to eliminate duplicates Z: 12 10.542 1.839 0.332 0.755 0.818 0.455 CA 1.264 12 residues pruned to eliminate duplicates Z: 9 6.751 1.886 0.251 0.525 0.875 0.500 CA 1.129 9 residues pruned to eliminate duplicates Z: 12 13.819 1.812 0.581 0.765 0.818 0.727 CB 1.405 12 residues pruned to eliminate duplicates Z: 7 6.686 1.717 0.393 0.629 0.833 0.667 CA 1.214 7 residues pruned to eliminate duplicates Z: 10 11.410 1.968 0.439 0.747 0.778 0.444 CA 1.385 10 residues pruned to eliminate duplicates Z: 22 12.680 1.722 0.553 0.504 0.810 0.476 CB 1.273 24 residues pruned to eliminate duplicates Z: 8 9.804 1.851 0.797 0.820 0.714 0.714 CA 1.181 8 residues pruned to eliminate duplicates Z: 10 6.374 1.857 0.113 0.328 1.000 0.333 CA 1.241 10 residues pruned to eliminate duplicates Z: 41 17.641 1.820 0.507 0.465 0.850 0.450 CB 1.240 41 residues pruned to eliminate duplicates Z: 76 32.645 2.004 0.452 0.542 0.880 0.520 CA 1.412 76 residues pruned to eliminate duplicates Z: 77 39.436 2.010 0.603 0.574 0.908 0.645 CB 1.440 77 residues pruned to eliminate duplicates Z: 61 26.413 1.971 0.550 0.508 0.867 0.567 CB 1.278 61 residues pruned to eliminate duplicates Z: 41 22.816 1.911 0.588 0.476 0.925 0.425 CB 1.316 41 residues pruned to eliminate duplicates Z: 32 20.822 1.953 0.539 0.546 0.871 0.516 CA 1.366 32 residues pruned to eliminate duplicates Z: 74 36.025 2.037 0.439 0.581 0.918 0.671 CB 1.450 74 residues pruned to eliminate duplicates Z: 95 33.986 1.938 0.492 0.526 0.904 0.532 CB 1.306 95 residues pruned to eliminate duplicates Z: 8 3.592 1.857 0.173 0.443 0.571 0.429 CB 1.156 8 residues pruned to eliminate duplicates Z: 74 36.597 2.018 0.564 0.591 0.918 0.671 CB 1.356 74 residues pruned to eliminate duplicates Z: 65 38.125 2.036 0.493 0.640 0.984 0.688 CB 1.397 65 residues pruned to eliminate duplicates Z: 66 39.238 2.022 0.582 0.623 0.954 0.615 CB 1.420 66 residues pruned to eliminate duplicates Z: 66 36.875 2.046 0.532 0.599 0.938 0.600 CB 1.414 66 residues pruned to eliminate duplicates Z: 65 37.707 2.054 0.481 0.627 0.969 0.641 CB 1.419 65 residues pruned to eliminate duplicates Z: 65 37.315 2.042 0.522 0.614 0.953 0.672 CA 1.413 65 residues pruned to eliminate duplicates Z: 19 26.489 2.030 0.888 0.723 0.944 0.667 CB 1.411 19 residues pruned to eliminate duplicates Z: 52 28.759 2.046 0.612 0.567 0.843 0.549 CB 1.358 52 residues pruned to eliminate duplicates Z: 64 37.514 2.049 0.515 0.623 0.952 0.635 CA 1.424 64 residues pruned to eliminate duplicates Z: 40 28.264 2.031 0.556 0.630 0.923 0.641 CB 1.373 40 residues pruned to eliminate duplicates Z: 73 37.737 2.030 0.522 0.576 0.944 0.625 CB 1.416 73 residues pruned to eliminate duplicates Z: 37 35.487 2.072 0.656 0.682 0.972 0.639 CB 1.499 37 residues pruned to eliminate duplicates Z: 60 38.386 2.074 0.578 0.618 0.932 0.559 CB 1.465 60 residues pruned to eliminate duplicates Z: 57 32.438 1.974 0.700 0.559 0.911 0.500 CB 1.339 57 residues pruned to eliminate duplicates Z: 25 22.493 1.937 0.810 0.657 0.917 0.708 CA 1.235 25 residues pruned to eliminate duplicates Z: 76 33.387 1.978 0.493 0.557 0.933 0.653 CB 1.324 76 residues pruned to eliminate duplicates Z: 71 33.558 1.977 0.467 0.584 0.929 0.629 CB 1.375 71 residues pruned to eliminate duplicates Z: 65 38.857 2.053 0.520 0.629 0.969 0.688 CB 1.423 65 residues pruned to eliminate duplicates Z: 60 35.051 2.043 0.515 0.623 0.932 0.559 CB 1.408 60 residues pruned to eliminate duplicates Z: 43 30.444 2.044 0.584 0.623 0.976 0.595 CB 1.324 43 residues pruned to eliminate duplicates Z: 76 35.608 1.996 0.540 0.572 0.907 0.533 CB 1.376 76 residues pruned to eliminate duplicates Z: 63 33.872 2.042 0.461 0.610 0.935 0.694 CB 1.388 63 residues pruned to eliminate duplicates Z: 63 35.516 2.027 0.547 0.595 0.935 0.629 CB 1.404 63 residues pruned to eliminate duplicates Z: 67 39.112 2.012 0.576 0.623 0.970 0.636 CB 1.395 67 residues pruned to eliminate duplicates Z: 16 14.838 2.016 0.115 0.701 0.933 0.733 CB 1.522 16 residues pruned to eliminate duplicates Z: 40 25.465 2.017 0.482 0.615 0.923 0.615 CB 1.325 40 residues pruned to eliminate duplicates Z: 67 35.771 2.004 0.545 0.572 0.939 0.606 CB 1.412 67 residues pruned to eliminate duplicates Z: 41 31.999 2.043 0.571 0.647 1.000 0.700 CB 1.375 41 residues pruned to eliminate duplicates Z: 76 36.907 2.000 0.607 0.553 0.907 0.573 CB 1.389 76 residues pruned to eliminate duplicates Z: 68 33.593 1.995 0.486 0.606 0.896 0.627 CB 1.397 68 residues pruned to eliminate duplicates Z: 56 26.193 1.957 0.556 0.501 0.855 0.473 CB 1.356 56 residues pruned to eliminate duplicates Z: 43 26.026 1.965 0.507 0.590 0.952 0.595 CB 1.306 43 residues pruned to eliminate duplicates Z: 67 36.221 2.009 0.550 0.603 0.939 0.530 CB 1.381 67 residues pruned to eliminate duplicates Z: 76 36.737 2.025 0.616 0.562 0.893 0.560 CB 1.367 76 residues pruned to eliminate duplicates Z: 39 32.038 1.994 0.751 0.606 0.974 0.579 CB 1.382 39 residues pruned to eliminate duplicates Z: 55 30.348 1.966 0.662 0.570 0.889 0.519 CB 1.329 55 residues pruned to eliminate duplicates Z: 60 40.397 2.065 0.636 0.644 0.949 0.627 CB 1.433 60 residues pruned to eliminate duplicates Z: 18 20.821 2.089 0.551 0.705 0.882 0.529 CB 1.465 18 residues pruned to eliminate duplicates Z: 67 28.106 1.976 0.514 0.496 0.909 0.545 CB 1.277 67 residues pruned to eliminate duplicates Z: 60 37.917 2.034 0.593 0.596 0.949 0.525 CB 1.464 60 residues pruned to eliminate duplicates Z: 30 18.220 1.906 0.405 0.550 0.931 0.724 CB 1.293 30 residues pruned to eliminate duplicates Z: 25 20.828 2.046 0.352 0.613 0.917 0.792 CB 1.507 25 residues pruned to eliminate duplicates Z: 65 32.751 1.983 0.473 0.595 0.938 0.656 CB 1.365 65 residues pruned to eliminate duplicates Z: 25 20.059 2.022 0.360 0.600 0.958 0.667 CA 1.413 25 residues pruned to eliminate duplicates Z: 67 40.303 2.021 0.671 0.637 0.955 0.682 CB 1.354 67 residues pruned to eliminate duplicates Z: 25 22.051 2.047 0.452 0.576 0.958 0.708 CA 1.468 26 residues pruned to eliminate duplicates Z: 6 8.451 2.040 0.736 0.528 0.800 0.400 CA 1.298 6 residues pruned to eliminate duplicates Z: 61 34.828 2.026 0.529 0.602 0.950 0.683 CB 1.387 61 residues pruned to eliminate duplicates Z: 73 35.383 1.990 0.592 0.552 0.917 0.528 CB 1.365 73 residues pruned to eliminate duplicates Z: 25 19.251 2.020 0.307 0.577 0.958 0.667 CA 1.442 25 residues pruned to eliminate duplicates Z: 57 36.192 2.065 0.520 0.602 0.946 0.625 CB 1.478 57 residues pruned to eliminate duplicates Z: 27 24.558 1.976 0.547 0.602 1.000 0.769 CB 1.430 27 residues pruned to eliminate duplicates Z: 65 35.307 1.998 0.486 0.602 0.969 0.656 CB 1.392 65 residues pruned to eliminate duplicates Z: 25 20.963 2.016 0.362 0.608 0.958 0.750 CA 1.468 25 residues pruned to eliminate duplicates Z: 26 22.805 2.001 0.578 0.592 0.920 0.800 CA 1.438 26 residues pruned to eliminate duplicates Z: 63 33.976 1.999 0.581 0.577 0.919 0.613 CB 1.379 63 residues pruned to eliminate duplicates Z: 60 34.269 1.996 0.613 0.571 0.932 0.559 CB 1.387 60 residues pruned to eliminate duplicates Z: 26 16.345 1.903 0.410 0.530 0.880 0.760 CA 1.343 26 residues pruned to eliminate duplicates Z: 69 33.900 1.937 0.523 0.583 0.912 0.529 CB 1.411 69 residues pruned to eliminate duplicates Z: 9 8.376 1.683 0.557 0.477 0.875 0.625 CA 1.322 9 residues pruned to eliminate duplicates Z: 20 10.480 1.687 0.498 0.329 0.895 0.579 CA 1.282 20 residues pruned to eliminate duplicates Z: 18 11.265 1.643 0.595 0.461 0.882 0.588 CB 1.229 18 residues pruned to eliminate duplicates Z: 22 16.056 1.774 0.738 0.407 0.905 0.524 CA 1.384 22 residues pruned to eliminate duplicates Z: 16 11.929 1.656 0.783 0.470 0.867 0.667 CA 1.240 16 residues pruned to eliminate duplicates Z: 24 13.654 1.710 0.566 0.481 0.870 0.609 CB 1.247 24 residues pruned to eliminate duplicates Z: 26 16.360 1.801 0.671 0.445 0.880 0.560 CB 1.307 26 residues pruned to eliminate duplicates Z: 49 25.851 1.885 0.477 0.484 0.979 0.521 CB 1.390 49 residues pruned to eliminate duplicates Z: 15 11.306 1.728 0.784 0.489 0.786 0.643 CA 1.261 15 residues pruned to eliminate duplicates Z: 25 15.415 1.715 0.706 0.449 0.875 0.542 CA 1.294 25 residues pruned to eliminate duplicates Z: 26 14.988 1.698 0.670 0.401 0.920 0.560 CB 1.276 26 residues pruned to eliminate duplicates Z: 21 12.473 1.682 0.716 0.404 0.850 0.500 CB 1.257 21 residues pruned to eliminate duplicates Z: 69 26.404 1.972 0.442 0.451 0.868 0.500 CB 1.365 69 residues pruned to eliminate duplicates Z: 12 6.484 1.678 0.507 0.256 0.818 0.545 CB 1.249 12 residues pruned to eliminate duplicates Z: 10 8.080 1.910 0.284 0.304 0.889 0.556 CB 1.537 10 residues pruned to eliminate duplicates Z: 85 32.714 1.956 0.482 0.512 0.905 0.571 CB 1.345 85 residues pruned to eliminate duplicates Z: 27 13.279 1.740 0.619 0.433 0.808 0.538 CB 1.228 27 residues pruned to eliminate duplicates Z: 37 18.474 1.910 0.425 0.485 0.861 0.667 CB 1.333 37 residues pruned to eliminate duplicates Z: 14 6.856 1.826 0.376 0.305 0.923 0.538 CB 1.019 14 residues pruned to eliminate duplicates Z: 69 30.316 1.993 0.545 0.498 0.912 0.559 CB 1.312 69 residues pruned to eliminate duplicates Z: 69 31.178 2.015 0.534 0.491 0.926 0.559 CB 1.333 69 residues pruned to eliminate duplicates Z: 65 28.569 2.011 0.437 0.453 0.953 0.547 CB 1.360 65 residues pruned to eliminate duplicates Z: 33 20.569 2.034 0.407 0.477 0.938 0.656 CB 1.388 33 residues pruned to eliminate duplicates Z: 50 23.594 2.020 0.449 0.446 0.918 0.551 CB 1.326 50 residues pruned to eliminate duplicates Z: 30 16.464 1.946 0.370 0.458 0.862 0.586 CA 1.389 30 residues pruned to eliminate duplicates Z: 57 25.780 2.034 0.444 0.438 0.946 0.500 CB 1.322 57 residues pruned to eliminate duplicates Z: 36 21.276 1.990 0.406 0.505 0.943 0.543 CB 1.356 36 residues pruned to eliminate duplicates Z: 22 18.845 2.062 0.463 0.572 0.952 0.667 CA 1.335 22 residues pruned to eliminate duplicates Z: 25 19.618 1.974 0.411 0.604 0.917 0.625 CA 1.421 25 residues pruned to eliminate duplicates Z: 55 31.237 2.065 0.428 0.583 0.944 0.667 CB 1.410 55 residues pruned to eliminate duplicates Z: 38 24.590 2.050 0.566 0.446 0.946 0.595 CB 1.407 38 residues pruned to eliminate duplicates Z: 58 24.936 2.009 0.532 0.395 0.947 0.544 CB 1.266 58 residues pruned to eliminate duplicates Z: 56 26.306 2.011 0.485 0.469 0.909 0.618 CB 1.349 56 residues pruned to eliminate duplicates Z: 19 23.293 2.046 0.688 0.698 0.944 0.667 CA 1.405 19 residues pruned to eliminate duplicates Z: 32 17.653 1.977 0.452 0.486 0.806 0.613 CB 1.389 32 residues pruned to eliminate duplicates Z: 37 23.993 2.069 0.441 0.475 0.944 0.556 CB 1.457 37 residues pruned to eliminate duplicates Z: 60 30.598 2.050 0.491 0.537 0.881 0.542 CB 1.426 60 residues pruned to eliminate duplicates Z: 38 18.585 1.969 0.453 0.463 0.865 0.622 CB 1.282 38 residues pruned to eliminate duplicates Z: 29 17.544 1.955 0.376 0.462 0.893 0.536 CA 1.435 29 residues pruned to eliminate duplicates Z: 28 19.417 1.919 0.468 0.513 0.926 0.630 CB 1.414 28 residues pruned to eliminate duplicates Z: 23 21.504 2.106 0.464 0.651 0.864 0.773 CA 1.496 23 residues pruned to eliminate duplicates Z: 37 25.377 2.076 0.566 0.513 0.889 0.667 CB 1.445 37 residues pruned to eliminate duplicates Z: 54 36.064 2.092 0.541 0.609 0.943 0.660 CB 1.469 54 residues pruned to eliminate duplicates Z: 37 19.960 1.928 0.551 0.357 0.889 0.361 CB 1.461 37 residues pruned to eliminate duplicates Z: 24 13.704 2.013 0.435 0.288 0.870 0.435 CB 1.444 24 residues pruned to eliminate duplicates Z: 38 24.275 2.029 0.532 0.507 0.919 0.649 CB 1.388 38 residues pruned to eliminate duplicates Z: 38 24.532 2.025 0.541 0.501 0.919 0.649 CA 1.406 38 residues pruned to eliminate duplicates Z: 69 28.622 1.959 0.558 0.455 0.882 0.603 CB 1.349 69 residues pruned to eliminate duplicates Z: 65 27.913 1.935 0.551 0.452 0.906 0.609 CB 1.347 65 residues pruned to eliminate duplicates Z: 43 29.785 2.049 0.565 0.522 0.952 0.524 CB 1.473 43 residues pruned to eliminate duplicates Z: 56 30.048 2.011 0.596 0.472 0.945 0.582 CB 1.373 56 residues pruned to eliminate duplicates Z: 54 37.805 2.068 0.623 0.587 0.962 0.585 CB 1.479 54 residues pruned to eliminate duplicates Z: 29 17.422 2.007 0.690 0.349 0.893 0.536 CB 1.282 29 residues pruned to eliminate duplicates Z: 27 15.815 1.954 0.572 0.336 0.923 0.462 CB 1.309 27 residues pruned to eliminate duplicates Z: 24 16.400 2.063 0.512 0.371 0.957 0.565 CB 1.316 24 residues pruned to eliminate duplicates Z: 81 35.449 1.993 0.511 0.522 0.913 0.613 CB 1.411 81 residues pruned to eliminate duplicates Z: 53 37.243 2.106 0.475 0.610 0.981 0.673 CA 1.527 53 residues pruned to eliminate duplicates Z: 72 26.067 1.912 0.508 0.434 0.887 0.563 CB 1.295 72 residues pruned to eliminate duplicates Z: 45 24.501 2.025 0.419 0.503 0.932 0.568 CB 1.375 45 residues pruned to eliminate duplicates Z: 43 28.810 2.096 0.566 0.533 0.905 0.548 CB 1.449 43 residues pruned to eliminate duplicates Z: 70 27.751 1.939 0.511 0.466 0.884 0.551 CB 1.336 70 residues pruned to eliminate duplicates Z: 54 32.948 2.072 0.430 0.595 0.943 0.679 CB 1.478 54 residues pruned to eliminate duplicates Z: 44 32.416 2.065 0.669 0.501 0.977 0.605 CB 1.467 44 residues pruned to eliminate duplicates Z: 48 27.384 2.031 0.592 0.523 0.851 0.511 CB 1.418 48 residues pruned to eliminate duplicates Z: 10 8.851 1.863 0.671 0.419 0.889 0.444 CB 1.160 Z: 13 22.941 2.048 0.615 0.887 1.000 0.667 CB 1.444 7 residues pruned to eliminate duplicates Z: 11 27.583 2.214 0.759 0.907 1.000 1.000 CA 1.592 12 residues pruned to eliminate duplicates Z: 14 27.104 2.075 0.761 0.872 1.000 0.692 CA 1.500 12 residues pruned to eliminate duplicates Z: 12 27.101 2.089 0.854 0.882 1.000 0.727 CA 1.527 12 residues pruned to eliminate duplicates Z: 55 32.817 2.036 0.614 0.547 0.907 0.463 CB 1.430 65 residues pruned to eliminate duplicates Z: 43 27.789 2.053 0.669 0.481 0.857 0.500 CB 1.488 43 residues pruned to eliminate duplicates Z: 55 36.331 2.075 0.610 0.572 0.926 0.574 CB 1.491 55 residues pruned to eliminate duplicates Z: 55 38.715 2.070 0.624 0.605 0.944 0.500 CB 1.501 55 residues pruned to eliminate duplicates Z: 11 25.903 2.061 1.096 0.809 0.900 0.500 CA 1.610 11 residues pruned to eliminate duplicates Z: 54 36.703 2.076 0.541 0.619 0.962 0.566 CB 1.464 54 residues pruned to eliminate duplicates Z: 55 37.576 2.067 0.652 0.604 0.907 0.519 CB 1.494 55 residues pruned to eliminate duplicates Z: 29 19.645 1.844 0.791 0.404 0.857 0.393 CB 1.450 36 residues pruned to eliminate duplicates Z: 8 7.251 1.901 0.579 0.453 0.857 0.571 CA 1.117 8 residues pruned to eliminate duplicates Z: 36 16.168 1.770 0.721 0.362 0.857 0.514 CB 1.215 36 residues pruned to eliminate duplicates Z: 25 21.063 1.937 0.921 0.418 0.875 0.500 CA 1.439 25 residues pruned to eliminate duplicates Z: 74 36.438 2.009 0.659 0.460 0.973 0.521 CB 1.371 74 residues pruned to eliminate duplicates Z: 23 16.401 1.929 0.816 0.379 0.864 0.318 CB 1.315 23 residues pruned to eliminate duplicates Z: 15 14.806 1.984 0.842 0.305 0.857 0.500 CA 1.569 15 residues pruned to eliminate duplicates Z: 20 12.598 1.966 0.660 0.316 0.789 0.474 CB 1.375 20 residues pruned to eliminate duplicates Z: 26 15.559 1.848 0.772 0.264 0.840 0.440 CB 1.482 26 residues pruned to eliminate duplicates Z: 22 12.591 1.895 0.624 0.254 0.857 0.714 CA 1.381 22 residues pruned to eliminate duplicates Z: 12 12.778 1.934 0.820 0.412 0.909 0.636 CA 1.320 12 residues pruned to eliminate duplicates Z: 22 21.238 1.994 0.891 0.413 0.905 0.524 CA 1.489 22 residues pruned to eliminate duplicates Z: 79 33.820 2.033 0.495 0.456 0.923 0.551 CA 1.428 79 residues pruned to eliminate duplicates Z: 13 11.274 1.826 0.723 0.384 0.917 0.667 CA 1.276 13 residues pruned to eliminate duplicates Z: 14 13.531 1.973 0.744 0.417 0.846 0.692 CA 1.406 14 residues pruned to eliminate duplicates Z: 23 18.495 1.999 0.872 0.408 0.818 0.545 CB 1.419 23 residues pruned to eliminate duplicates Z: 23 25.282 2.009 1.000 0.485 0.909 0.727 CB 1.498 23 residues pruned to eliminate duplicates Z: 24 17.913 1.984 0.755 0.421 0.870 0.435 CB 1.339 24 residues pruned to eliminate duplicates Z: 29 21.561 1.908 0.883 0.424 0.929 0.607 CB 1.322 29 residues pruned to eliminate duplicates Z: 78 41.196 2.033 0.715 0.495 0.935 0.506 CA 1.447 78 residues pruned to eliminate duplicates Z: 27 22.061 1.976 0.856 0.390 0.923 0.462 CB 1.435 27 residues pruned to eliminate duplicates Z: 42 28.474 1.952 0.848 0.488 0.927 0.488 CA 1.346 42 residues pruned to eliminate duplicates Z: 35 21.999 1.893 0.811 0.353 0.882 0.529 CA 1.462 28 residues pruned to eliminate duplicates Z: 18 17.410 2.049 0.561 0.775 1.000 0.824 CA 1.036 18 residues pruned to eliminate duplicates Z: 48 32.018 2.072 0.773 0.455 0.894 0.553 CA 1.490 48 residues pruned to eliminate duplicates Z: 24 24.061 2.064 0.642 0.601 0.913 0.522 CA 1.473 24 residues pruned to eliminate duplicates Z: 31 19.507 1.945 0.753 0.429 0.833 0.500 CB 1.350 31 residues pruned to eliminate duplicates Z: 59 34.600 2.053 0.568 0.522 0.931 0.552 CA 1.483 59 residues pruned to eliminate duplicates Z: 44 33.980 2.091 0.722 0.507 1.000 0.605 CB 1.428 44 residues pruned to eliminate duplicates Z: 32 27.235 2.010 0.666 0.509 0.968 0.581 CB 1.496 32 residues pruned to eliminate duplicates Z: 48 31.495 2.041 0.690 0.509 0.915 0.553 CA 1.442 48 residues pruned to eliminate duplicates Z: 25 26.239 2.081 0.658 0.629 0.958 0.667 CA 1.434 25 residues pruned to eliminate duplicates Z: 87 37.511 2.003 0.574 0.454 0.930 0.523 CA 1.445 87 residues pruned to eliminate duplicates Z: 53 33.352 2.069 0.570 0.537 0.981 0.538 CA 1.399 53 residues pruned to eliminate duplicates Z: 70 35.951 2.029 0.664 0.484 0.928 0.565 CA 1.405 70 residues pruned to eliminate duplicates Z: 28 19.667 2.037 0.646 0.516 0.926 0.481 CA 1.201 28 residues pruned to eliminate duplicates Z: 45 29.066 2.055 0.598 0.459 0.977 0.591 CA 1.424 45 residues pruned to eliminate duplicates Z: 81 36.451 2.001 0.679 0.445 0.875 0.538 CA 1.467 81 residues pruned to eliminate duplicates Z: 47 30.427 2.087 0.564 0.469 0.957 0.565 CA 1.483 47 residues pruned to eliminate duplicates Z: 60 39.173 2.065 0.671 0.558 0.949 0.661 CB 1.471 60 residues pruned to eliminate duplicates Z: 57 34.885 2.020 0.635 0.547 0.946 0.679 CA 1.424 57 residues pruned to eliminate duplicates Z: 79 41.814 2.042 0.763 0.497 0.910 0.564 CB 1.449 79 residues pruned to eliminate duplicates Z: 35 28.670 2.074 0.636 0.531 0.971 0.471 CA 1.448 35 residues pruned to eliminate duplicates Z: 38 29.505 2.037 0.732 0.488 0.973 0.568 CB 1.430 38 residues pruned to eliminate duplicates Z: 35 26.226 2.039 0.588 0.550 0.882 0.559 CA 1.499 35 residues pruned to eliminate duplicates Z: 44 26.634 1.984 0.570 0.484 0.907 0.581 CB 1.460 44 residues pruned to eliminate duplicates Z: 49 30.675 2.031 0.656 0.516 0.896 0.604 CA 1.446 49 residues pruned to eliminate duplicates Z: 58 36.847 2.059 0.646 0.527 0.930 0.544 CA 1.508 58 residues pruned to eliminate duplicates Z: 34 26.894 2.055 0.531 0.547 0.939 0.697 CA 1.514 34 residues pruned to eliminate duplicates Z: 60 33.736 2.036 0.513 0.555 0.949 0.559 CA 1.424 60 residues pruned to eliminate duplicates Z: 84 42.022 2.038 0.683 0.471 0.940 0.663 CA 1.474 84 residues pruned to eliminate duplicates Z: 81 40.888 2.035 0.723 0.460 0.925 0.538 CA 1.469 81 residues pruned to eliminate duplicates Z: 61 38.075 2.025 0.682 0.532 0.950 0.550 CA 1.471 61 residues pruned to eliminate duplicates Z: 86 42.257 2.032 0.695 0.477 0.929 0.565 CA 1.465 86 residues pruned to eliminate duplicates Z: 49 38.812 2.058 0.694 0.614 0.979 0.667 CA 1.473 49 residues pruned to eliminate duplicates Z: 23 16.702 1.850 0.566 0.340 1.000 0.500 CA 1.462 23 residues pruned to eliminate duplicates Z: 55 36.451 2.053 0.608 0.570 0.963 0.537 CA 1.459 55 residues pruned to eliminate duplicates Z: 83 42.479 2.033 0.707 0.464 0.951 0.573 CA 1.473 83 residues pruned to eliminate duplicates Z: 47 37.169 2.071 0.690 0.522 1.000 0.565 CB 1.532 47 residues pruned to eliminate duplicates Z: 27 18.272 1.960 0.446 0.638 0.923 0.808 CA 1.204 27 residues pruned to eliminate duplicates Z: 24 19.048 1.937 0.574 0.614 0.913 0.652 CA 1.281 24 residues pruned to eliminate duplicates Z: 47 33.528 2.060 0.684 0.528 0.935 0.435 CA 1.483 47 residues pruned to eliminate duplicates Z: 43 33.002 2.085 0.726 0.501 0.952 0.476 CA 1.484 43 residues pruned to eliminate duplicates Z: 32 20.388 1.911 0.736 0.512 0.871 0.548 CB 1.252 32 residues pruned to eliminate duplicates Z: 38 25.796 1.932 0.764 0.482 0.919 0.595 CB 1.380 38 residues pruned to eliminate duplicates Z: 53 39.195 2.085 0.769 0.566 0.942 0.577 CA 1.466 53 residues pruned to eliminate duplicates Z: 19 26.085 2.070 0.774 0.733 0.944 0.500 CB 1.438 19 residues pruned to eliminate duplicates Z: 13 24.854 2.061 0.894 0.855 0.917 0.750 CA 1.479 14 residues pruned to eliminate duplicates Z: 14 19.925 1.962 0.767 0.924 0.923 0.615 CB 1.213 14 residues pruned to eliminate duplicates Z: 53 42.648 2.080 0.735 0.588 1.000 0.577 CA 1.506 53 residues pruned to eliminate duplicates Z: 51 33.951 2.027 0.770 0.548 0.900 0.360 CB 1.420 51 residues pruned to eliminate duplicates Z: 53 43.648 2.084 0.783 0.566 1.000 0.538 CA 1.528 52 residues pruned to eliminate duplicates Z: 8 8.706 1.651 0.554 0.662 1.000 0.571 CB 1.104 8 residues pruned to eliminate duplicates Z: 18 14.559 1.965 0.719 0.429 0.882 0.647 CB 1.275 18 residues pruned to eliminate duplicates Z: 28 17.191 1.939 0.822 0.562 0.889 0.630 CB 0.991 28 residues pruned to eliminate duplicates Z: 17 13.493 1.940 0.588 0.479 0.875 0.812 CB 1.278 17 residues pruned to eliminate duplicates Z: 34 19.870 1.944 0.600 0.554 0.909 0.606 CB 1.161 34 residues pruned to eliminate duplicates Z: 35 17.976 1.981 0.596 0.505 0.853 0.647 CB 1.137 35 residues pruned to eliminate duplicates Z: 18 14.043 1.950 0.644 0.545 0.882 0.647 CB 1.152 18 residues pruned to eliminate duplicates Z: 7 4.544 1.576 1.056 0.308 0.833 0.333 CA 0.850 7 residues pruned to eliminate duplicates Z: 33 17.761 1.909 0.650 0.531 0.906 0.500 CB 1.067 33 residues pruned to eliminate duplicates Z: 60 28.822 1.961 0.655 0.496 0.932 0.559 CB 1.246 60 residues pruned to eliminate duplicates Z: 32 19.799 1.943 0.616 0.615 0.935 0.677 CB 1.085 32 residues pruned to eliminate duplicates Z: 26 19.269 1.905 0.800 0.585 0.920 0.560 CB 1.126 26 residues pruned to eliminate duplicates Z: 34 19.774 1.923 0.733 0.568 0.909 0.515 CB 1.064 34 residues pruned to eliminate duplicates Z: 33 21.831 1.994 0.767 0.536 0.938 0.625 CB 1.128 33 residues pruned to eliminate duplicates Z: 18 16.558 1.943 0.764 0.458 0.941 0.647 CB 1.299 18 residues pruned to eliminate duplicates Z: 36 18.723 1.939 0.500 0.534 0.943 0.486 CB 1.116 36 residues pruned to eliminate duplicates Z: 30 17.510 1.857 0.454 0.566 0.931 0.586 CB 1.213 30 residues pruned to eliminate duplicates Z: 12 11.988 1.939 0.383 0.564 0.909 0.636 N 1.394 12 residues pruned to eliminate duplicates Z: 31 15.910 1.883 0.512 0.557 0.900 0.533 CB 1.073 31 residues pruned to eliminate duplicates Z: 46 23.141 1.948 0.633 0.541 0.867 0.422 CB 1.201 46 residues pruned to eliminate duplicates Z: 67 26.561 1.903 0.591 0.444 0.924 0.576 CB 1.237 67 residues pruned to eliminate duplicates Z: 18 10.530 1.966 0.482 0.546 0.824 0.353 CB 1.017 18 residues pruned to eliminate duplicates Z: 34 16.326 1.950 0.543 0.478 0.818 0.545 CB 1.181 34 residues pruned to eliminate duplicates Z: 48 27.435 1.992 0.698 0.529 0.936 0.553 CB 1.228 48 residues pruned to eliminate duplicates Z: 26 17.134 2.002 0.484 0.526 0.880 0.320 CB 1.277 26 residues pruned to eliminate duplicates Z: 48 26.883 1.985 0.628 0.494 0.894 0.489 CB 1.367 48 residues pruned to eliminate duplicates Z: 20 9.215 1.904 0.423 0.361 0.737 0.421 CB 1.229 20 residues pruned to eliminate duplicates Z: 29 15.565 1.904 0.427 0.494 0.821 0.321 CB 1.327 29 residues pruned to eliminate duplicates Z: 60 27.151 1.945 0.583 0.484 0.898 0.475 CB 1.300 60 residues pruned to eliminate duplicates Z: 38 24.912 2.042 0.684 0.484 0.892 0.514 CB 1.356 38 residues pruned to eliminate duplicates Z: 61 31.262 2.000 0.667 0.539 0.917 0.600 CB 1.271 61 residues pruned to eliminate duplicates Z: 39 22.931 2.001 0.577 0.446 0.921 0.579 CB 1.353 39 residues pruned to eliminate duplicates Z: 59 29.274 1.981 0.577 0.496 0.931 0.534 CB 1.326 59 residues pruned to eliminate duplicates Z: 14 19.966 1.968 0.667 0.728 0.923 0.538 CA 1.489 14 residues pruned to eliminate duplicates Z: 32 21.921 2.015 0.658 0.434 0.871 0.452 CB 1.449 32 residues pruned to eliminate duplicates Z: 46 24.287 1.957 0.711 0.538 0.844 0.444 CB 1.233 46 residues pruned to eliminate duplicates Z: 61 27.481 1.935 0.633 0.477 0.917 0.517 CB 1.253 61 residues pruned to eliminate duplicates Z: 59 29.063 1.992 0.629 0.472 0.948 0.586 CB 1.275 59 residues pruned to eliminate duplicates Z: 38 26.514 2.070 0.584 0.467 0.946 0.676 CB 1.453 38 residues pruned to eliminate duplicates Z: 27 19.531 1.942 0.595 0.490 0.885 0.577 CA 1.412 27 residues pruned to eliminate duplicates Z: 32 23.807 1.944 0.691 0.472 0.968 0.774 CB 1.382 32 residues pruned to eliminate duplicates Z: 39 24.607 2.013 0.584 0.469 0.895 0.632 CB 1.443 39 residues pruned to eliminate duplicates Z: 60 26.286 1.978 0.660 0.409 0.864 0.610 CB 1.326 60 residues pruned to eliminate duplicates Z: 59 29.167 1.986 0.629 0.499 0.879 0.586 CB 1.347 59 residues pruned to eliminate duplicates Z: 15 14.754 1.975 0.736 0.345 1.000 0.714 CB 1.361 15 residues pruned to eliminate duplicates Z: 18 14.191 1.846 0.662 0.354 1.000 0.765 CB 1.314 18 residues pruned to eliminate duplicates Z: 15 13.892 1.946 0.652 0.331 0.929 0.643 CA 1.496 15 residues pruned to eliminate duplicates Z: 39 22.869 2.033 0.478 0.461 0.895 0.658 CA 1.436 39 residues pruned to eliminate duplicates Z: 40 26.377 1.997 0.687 0.447 0.923 0.615 CA 1.434 40 residues pruned to eliminate duplicates Z: 16 14.826 1.860 0.558 0.387 1.000 0.800 CB 1.490 16 residues pruned to eliminate duplicates Z: 38 21.499 2.000 0.509 0.448 0.919 0.595 CA 1.345 38 residues pruned to eliminate duplicates Z: 18 14.257 1.849 0.732 0.292 1.000 0.706 CB 1.363 18 residues pruned to eliminate duplicates Z: 30 24.312 2.071 0.689 0.469 0.897 0.724 CA 1.486 30 residues pruned to eliminate duplicates Z: 20 11.523 1.699 0.703 0.314 0.947 0.789 CB 1.185 20 residues pruned to eliminate duplicates Z: 40 25.638 1.963 0.659 0.453 0.923 0.667 CB 1.433 40 residues pruned to eliminate duplicates Z: 13 7.843 1.651 0.315 0.608 0.833 0.667 CA 1.129 13 residues pruned to eliminate duplicates Z: 12 7.285 1.731 0.299 0.626 0.909 0.545 CB 0.954 12 residues pruned to eliminate duplicates Z: 13 8.121 1.769 0.243 0.492 0.917 0.583 CB 1.172 13 residues pruned to eliminate duplicates Z: 18 12.572 1.794 0.510 0.435 0.882 0.588 CB 1.363 18 residues pruned to eliminate duplicates Z: 15 7.099 1.652 0.146 0.453 1.000 0.571 CA 1.052 15 residues pruned to eliminate duplicates Z: 17 8.301 1.660 0.332 0.374 0.938 0.500 CB 1.146 17 residues pruned to eliminate duplicates Z: 15 8.706 1.678 0.312 0.476 1.000 0.429 CB 1.083 15 residues pruned to eliminate duplicates Z: 8 5.433 1.649 0.406 0.538 1.000 0.571 CA 0.854 8 residues pruned to eliminate duplicates Z: 15 10.613 1.768 0.258 0.564 1.000 0.714 CA 1.199 15 residues pruned to eliminate duplicates Z: 20 10.549 1.742 0.482 0.353 0.842 0.579 CB 1.305 20 residues pruned to eliminate duplicates Z: 22 13.424 1.763 0.459 0.468 0.952 0.762 CA 1.235 22 residues pruned to eliminate duplicates Z: 28 12.934 1.696 0.478 0.356 0.926 0.556 CA 1.254 26 residues pruned to eliminate duplicates Z: 6 6.300 1.762 0.488 0.413 1.000 0.800 CA 1.178 6 residues pruned to eliminate duplicates Z: 23 14.427 1.764 0.467 0.461 0.909 0.636 CA 1.361 23 residues pruned to eliminate duplicates Z: 9 12.745 1.798 0.701 0.597 1.000 0.875 CA 1.343 11 residues pruned to eliminate duplicates Z: 12 5.659 1.348 0.608 0.461 0.909 0.818 CB 0.901 11 residues pruned to eliminate duplicates Z: 7 4.718 1.771 0.614 0.354 0.667 0.167 CA 1.183 7 residues pruned to eliminate duplicates Z: 79 37.031 2.010 0.655 0.562 0.846 0.654 CB 1.403 79 residues pruned to eliminate duplicates Z: 17 11.127 1.873 0.774 0.323 0.750 0.562 CA 1.356 17 residues pruned to eliminate duplicates Z: 75 38.466 2.003 0.584 0.574 0.946 0.649 CB 1.388 75 residues pruned to eliminate duplicates Z: 13 8.058 1.853 0.633 0.377 0.750 0.167 CA 1.169 13 residues pruned to eliminate duplicates Z: 8 6.585 1.923 0.832 0.338 0.714 0.143 CA 1.180 8 residues pruned to eliminate duplicates Z: 78 35.791 2.000 0.595 0.561 0.883 0.597 CB 1.365 78 residues pruned to eliminate duplicates Z: 13 5.045 1.791 0.505 0.342 0.583 0.250 CA 1.100 13 residues pruned to eliminate duplicates Z: 74 25.145 1.874 0.626 0.412 0.863 0.452 CA 1.227 100 residues pruned to eliminate duplicates Z: 13 18.267 1.878 0.676 0.835 0.917 0.333 CA 1.369 13 residues pruned to eliminate duplicates Z: 83 40.155 1.993 0.614 0.598 0.915 0.671 CB 1.372 96 residues pruned to eliminate duplicates Z: 11 16.042 1.911 0.675 0.863 0.900 0.500 CA 1.292 11 residues pruned to eliminate duplicates Z: 66 32.539 1.967 0.618 0.496 0.908 0.569 CB 1.403 66 residues pruned to eliminate duplicates Z: 68 37.487 2.015 0.499 0.624 0.955 0.627 CB 1.412 68 residues pruned to eliminate duplicates Z: 67 35.548 2.022 0.480 0.649 0.909 0.697 CB 1.400 67 residues pruned to eliminate duplicates Z: 46 28.469 1.942 0.598 0.574 0.911 0.600 CB 1.397 46 residues pruned to eliminate duplicates Z: 77 36.894 1.999 0.611 0.557 0.882 0.618 CA 1.410 77 residues pruned to eliminate duplicates Z: 54 27.203 1.997 0.603 0.510 0.830 0.528 CA 1.393 54 residues pruned to eliminate duplicates Z: 69 41.913 2.020 0.620 0.623 0.971 0.706 CA 1.425 69 residues pruned to eliminate duplicates Z: 68 42.443 2.030 0.646 0.618 0.955 0.642 CB 1.453 68 residues pruned to eliminate duplicates Z: 74 36.005 1.966 0.615 0.614 0.918 0.658 CB 1.299 74 residues pruned to eliminate duplicates Z: 42 38.542 2.043 0.749 0.677 0.951 0.634 CA 1.505 42 residues pruned to eliminate duplicates Z: 58 33.083 1.978 0.660 0.554 0.895 0.667 CB 1.415 58 residues pruned to eliminate duplicates Z: 64 32.755 1.986 0.600 0.548 0.889 0.587 CB 1.395 64 residues pruned to eliminate duplicates Z: 79 36.342 1.987 0.647 0.544 0.885 0.577 CB 1.361 79 residues pruned to eliminate duplicates Z: 50 35.975 2.061 0.586 0.621 0.959 0.633 CB 1.463 50 residues pruned to eliminate duplicates Z: 77 38.891 2.016 0.659 0.574 0.882 0.579 CB 1.410 77 residues pruned to eliminate duplicates Z: 107 41.593 1.961 0.632 0.540 0.896 0.613 CB 1.354 251 residues pruned to eliminate duplicates Z: 6 3.217 1.806 0.778 0.166 0.800 0.400 CA 0.841 6 residues pruned to eliminate duplicates Z: 70 38.269 1.995 0.613 0.615 0.928 0.565 CB 1.385 70 residues pruned to eliminate duplicates Z: 70 38.821 1.993 0.533 0.611 0.986 0.667 CB 1.397 70 residues pruned to eliminate duplicates Z: 68 38.055 2.014 0.575 0.625 0.940 0.642 CB 1.385 68 residues pruned to eliminate duplicates Z: 41 28.439 2.020 0.634 0.586 0.850 0.600 CB 1.476 41 residues pruned to eliminate duplicates Z: 77 36.324 2.011 0.541 0.572 0.895 0.658 CB 1.402 77 residues pruned to eliminate duplicates Z: 67 38.162 2.001 0.618 0.613 0.955 0.591 CB 1.366 67 residues pruned to eliminate duplicates Z: 50 30.576 2.022 0.650 0.536 0.898 0.469 CB 1.408 50 residues pruned to eliminate duplicates Z: 85 35.492 1.969 0.592 0.535 0.869 0.548 CB 1.373 85 residues pruned to eliminate duplicates Z: 64 39.028 2.024 0.628 0.622 0.937 0.714 CB 1.420 64 residues pruned to eliminate duplicates Z: 71 36.168 1.986 0.690 0.587 0.886 0.614 CB 1.338 71 residues pruned to eliminate duplicates Z: 28 22.584 1.981 0.576 0.541 0.926 0.593 CB 1.444 28 residues pruned to eliminate duplicates Z: 56 33.296 2.014 0.655 0.555 0.909 0.618 CB 1.404 56 residues pruned to eliminate duplicates Z: 67 38.882 2.009 0.625 0.618 0.939 0.636 CB 1.396 67 residues pruned to eliminate duplicates Z: 67 32.345 1.957 0.681 0.508 0.894 0.576 CB 1.343 67 residues pruned to eliminate duplicates Z: 64 40.938 2.026 0.631 0.632 0.984 0.683 CB 1.401 64 residues pruned to eliminate duplicates Z: 58 33.233 1.985 0.640 0.537 0.912 0.561 CB 1.430 58 residues pruned to eliminate duplicates Z: 75 36.417 2.001 0.600 0.576 0.919 0.595 CB 1.337 75 residues pruned to eliminate duplicates Z: 64 35.680 1.955 0.724 0.549 0.952 0.603 CB 1.335 64 residues pruned to eliminate duplicates Z: 67 39.156 2.025 0.642 0.603 0.924 0.515 CB 1.421 67 residues pruned to eliminate duplicates Z: 68 39.573 2.008 0.616 0.618 0.955 0.612 CB 1.396 68 residues pruned to eliminate duplicates Z: 84 37.796 1.922 0.622 0.589 0.904 0.602 CB 1.353 84 residues pruned to eliminate duplicates Z: 25 25.667 1.994 0.656 0.644 0.958 0.792 CB 1.447 32 residues pruned to eliminate duplicates Z: 27 23.275 1.990 0.505 0.616 0.962 0.846 CA 1.420 27 residues pruned to eliminate duplicates Z: 27 21.525 1.972 0.529 0.592 0.923 0.731 CA 1.389 27 residues pruned to eliminate duplicates Z: 29 23.363 1.961 0.554 0.562 0.964 0.679 CA 1.416 29 residues pruned to eliminate duplicates Z: 52 26.634 1.925 0.529 0.523 0.882 0.706 CB 1.403 52 residues pruned to eliminate duplicates Z: 75 37.282 1.961 0.565 0.592 0.919 0.635 CB 1.407 75 residues pruned to eliminate duplicates Z: 71 32.004 1.963 0.551 0.515 0.900 0.600 CB 1.375 71 residues pruned to eliminate duplicates Z: 69 38.525 2.003 0.669 0.588 0.941 0.662 CB 1.365 69 residues pruned to eliminate duplicates Z: 43 17.229 1.782 0.502 0.468 0.786 0.524 CB 1.306 43 residues pruned to eliminate duplicates Z: 69 41.373 2.026 0.617 0.628 0.956 0.676 CB 1.421 69 residues pruned to eliminate duplicates Z: 66 36.289 1.992 0.631 0.598 0.908 0.646 CB 1.390 66 residues pruned to eliminate duplicates Z: 68 35.656 1.956 0.586 0.577 0.940 0.597 CB 1.388 68 residues pruned to eliminate duplicates Z: 63 39.934 2.016 0.675 0.624 0.952 0.613 CB 1.403 63 residues pruned to eliminate duplicates Z: 60 33.727 2.007 0.558 0.584 0.898 0.627 CB 1.442 60 residues pruned to eliminate duplicates Z: 28 22.056 1.955 0.441 0.586 0.963 0.556 CA 1.441 28 residues pruned to eliminate duplicates Z: 27 21.132 2.006 0.323 0.639 0.962 0.692 CA 1.425 27 residues pruned to eliminate duplicates Z: 72 37.950 1.947 0.651 0.570 0.930 0.521 CB 1.409 72 residues pruned to eliminate duplicates Z: 46 20.855 1.835 0.404 0.560 0.911 0.511 CB 1.249 46 residues pruned to eliminate duplicates Z: 30 19.129 1.906 0.400 0.565 0.966 0.621 CA 1.295 30 residues pruned to eliminate duplicates Z: 25 15.457 1.801 0.467 0.577 0.875 0.417 CA 1.268 25 residues pruned to eliminate duplicates Z: 61 38.885 2.033 0.608 0.626 0.917 0.533 CB 1.488 61 residues pruned to eliminate duplicates Z: 12 19.330 2.074 0.624 0.691 1.000 0.636 CB 1.453 12 residues pruned to eliminate duplicates Z: 12 5.228 1.753 0.226 0.287 0.909 0.545 CB 1.026 11 residues pruned to eliminate duplicates Z: 19 20.846 1.922 0.712 0.752 1.000 0.667 CA 1.193 19 residues pruned to eliminate duplicates Z: 43 21.712 1.890 0.554 0.465 0.952 0.595 CA 1.242 43 residues pruned to eliminate duplicates Z: 42 22.944 1.969 0.640 0.511 0.902 0.634 CA 1.216 42 residues pruned to eliminate duplicates Z: 37 24.697 2.007 0.617 0.531 0.944 0.611 CA 1.302 37 residues pruned to eliminate duplicates Z: 39 25.922 1.958 0.572 0.548 1.000 0.605 CA 1.303 39 residues pruned to eliminate duplicates Z: 47 21.544 1.886 0.562 0.475 0.870 0.478 CA 1.271 47 residues pruned to eliminate duplicates Z: 38 23.407 1.975 0.621 0.514 0.973 0.595 CA 1.218 38 residues pruned to eliminate duplicates Z: 39 23.455 1.989 0.581 0.502 0.974 0.658 CA 1.241 39 residues pruned to eliminate duplicates Z: 23 18.519 1.953 0.606 0.608 0.864 0.636 CA 1.315 23 residues pruned to eliminate duplicates Z: 44 26.119 2.002 0.562 0.513 0.953 0.628 CA 1.318 44 residues pruned to eliminate duplicates Z: 54 37.780 2.083 0.641 0.617 0.981 0.717 CA 1.385 54 residues pruned to eliminate duplicates Z: 21 17.168 1.956 0.547 0.661 0.950 0.650 CA 1.150 21 residues pruned to eliminate duplicates Z: 44 23.665 1.936 0.602 0.467 0.953 0.605 CA 1.262 44 residues pruned to eliminate duplicates Z: 48 25.730 1.966 0.563 0.467 0.936 0.574 CA 1.349 80 residues pruned to eliminate duplicates Z: 43 27.023 2.023 0.559 0.528 0.929 0.595 CB 1.385 43 residues pruned to eliminate duplicates Z: 56 33.777 1.996 0.634 0.577 0.964 0.673 CB 1.346 56 residues pruned to eliminate duplicates Z: 53 37.380 2.093 0.626 0.611 0.981 0.654 CA 1.398 53 residues pruned to eliminate duplicates Z: 43 31.110 2.026 0.769 0.531 0.952 0.667 CA 1.364 43 residues pruned to eliminate duplicates Z: 40 20.008 1.945 0.496 0.465 0.923 0.667 CA 1.237 40 residues pruned to eliminate duplicates Z: 55 33.580 2.020 0.559 0.596 0.944 0.722 CA 1.402 55 residues pruned to eliminate duplicates Z: 55 33.220 2.044 0.587 0.587 0.944 0.630 CA 1.357 55 residues pruned to eliminate duplicates Z: 66 33.504 1.990 0.596 0.523 0.923 0.600 CB 1.386 66 residues pruned to eliminate duplicates Z: 37 22.464 1.990 0.635 0.525 0.917 0.528 CA 1.225 37 residues pruned to eliminate duplicates Z: 18 11.968 2.012 0.425 0.324 0.941 0.471 CB 1.307 18 residues pruned to eliminate duplicates Z: 41 20.520 1.903 0.562 0.482 0.900 0.525 CA 1.234 41 residues pruned to eliminate duplicates Z: 56 35.574 2.064 0.624 0.581 0.945 0.618 CA 1.401 56 residues pruned to eliminate duplicates Z: 31 14.864 1.991 0.423 0.374 0.867 0.467 CB 1.264 31 residues pruned to eliminate duplicates Z: 16 11.973 2.055 0.625 0.328 0.933 0.467 CA 1.199 16 residues pruned to eliminate duplicates Z: 23 11.469 1.900 0.500 0.329 0.864 0.409 CB 1.198 23 residues pruned to eliminate duplicates Z: 37 23.155 2.001 0.538 0.534 0.944 0.639 CA 1.284 37 residues pruned to eliminate duplicates Z: 41 20.409 1.965 0.484 0.403 0.975 0.575 CA 1.257 41 residues pruned to eliminate duplicates Z: 63 27.485 1.934 0.572 0.508 0.871 0.532 CB 1.308 63 residues pruned to eliminate duplicates Z: 65 36.698 2.026 0.593 0.557 0.953 0.609 CA 1.410 65 residues pruned to eliminate duplicates Z: 23 15.991 2.083 0.470 0.393 0.955 0.545 CB 1.305 23 residues pruned to eliminate duplicates Z: 55 37.229 2.055 0.709 0.587 0.963 0.648 CA 1.378 55 residues pruned to eliminate duplicates Z: 55 35.518 2.047 0.631 0.598 0.963 0.648 CA 1.369 55 residues pruned to eliminate duplicates Z: 26 23.314 1.926 0.658 0.617 0.920 0.680 CB 1.420 26 residues pruned to eliminate duplicates Z: 54 31.991 2.020 0.539 0.595 0.943 0.604 CA 1.368 54 residues pruned to eliminate duplicates Z: 19 28.960 2.176 0.648 0.760 1.000 0.722 CA 1.511 19 residues pruned to eliminate duplicates Z: 9 11.077 1.965 0.617 0.444 1.000 0.375 CA 1.306 9 residues pruned to eliminate duplicates Z: 20 27.676 2.109 0.680 0.748 1.000 0.789 CA 1.436 20 residues pruned to eliminate duplicates Z: 34 24.486 2.032 0.643 0.542 0.879 0.545 CA 1.394 34 residues pruned to eliminate duplicates Z: 54 38.011 2.069 0.632 0.613 0.981 0.585 CA 1.417 54 residues pruned to eliminate duplicates Z: 24 19.926 1.995 0.510 0.617 0.957 0.696 CA 1.290 24 residues pruned to eliminate duplicates Z: 34 26.291 2.115 0.568 0.542 0.970 0.667 CB 1.366 34 residues pruned to eliminate duplicates Z: 21 30.050 2.084 0.848 0.736 0.950 0.600 CA 1.486 21 residues pruned to eliminate duplicates Z: 54 39.685 2.056 0.712 0.605 0.981 0.679 CA 1.429 55 residues pruned to eliminate duplicates Z: 15 32.798 2.068 1.069 0.900 0.929 0.214 CB 1.576 14 residues pruned to eliminate duplicates Z: 15 35.815 2.089 1.078 0.910 1.000 0.500 CB 1.563 15 residues pruned to eliminate duplicates Z: 15 33.280 2.080 1.124 0.904 1.000 0.643 CB 1.434 15 residues pruned to eliminate duplicates Z: 15 31.479 2.068 0.936 0.886 1.000 0.571 CA 1.516 15 residues pruned to eliminate duplicates Z: 62 41.022 2.058 0.814 0.549 0.934 0.508 CB 1.435 55 residues pruned to eliminate duplicates Z: 20 23.940 1.971 0.812 0.697 0.947 0.526 CA 1.357 20 residues pruned to eliminate duplicates Z: 49 45.528 2.122 0.880 0.631 0.958 0.542 CA 1.520 48 residues pruned to eliminate duplicates Z: 16 31.446 2.038 0.931 0.870 1.000 0.467 CA 1.507 16 residues pruned to eliminate duplicates Z: 24 27.465 1.988 0.849 0.653 0.957 0.609 CA 1.412 23 residues pruned to eliminate duplicates Z: 15 35.880 2.170 0.989 0.866 1.000 0.500 CA 1.626 15 residues pruned to eliminate duplicates Z: 51 38.687 2.081 0.739 0.612 0.920 0.560 CB 1.477 51 residues pruned to eliminate duplicates Z: 26 21.668 1.966 0.898 0.654 0.840 0.520 CA 1.198 26 residues pruned to eliminate duplicates Z: 71 41.921 2.025 0.693 0.617 0.914 0.643 CA 1.431 103 residues pruned to eliminate duplicates Z: 16 36.667 2.104 0.990 0.850 1.000 0.333 CA 1.675 16 residues pruned to eliminate duplicates Z: 35 28.371 2.010 0.726 0.563 0.912 0.471 CB 1.447 35 residues pruned to eliminate duplicates Z: 31 25.455 1.954 0.652 0.570 0.933 0.467 CA 1.442 31 residues pruned to eliminate duplicates Z: 25 27.640 1.966 0.863 0.650 0.833 0.375 CB 1.607 25 residues pruned to eliminate duplicates Z: 17 27.234 2.068 1.062 0.706 0.875 0.312 CA 1.513 17 residues pruned to eliminate duplicates Z: 16 32.984 2.099 1.104 0.763 0.933 0.200 CA 1.636 16 residues pruned to eliminate duplicates Z: 52 36.136 2.032 0.793 0.613 0.863 0.431 CB 1.447 52 residues pruned to eliminate duplicates Z: 79 42.638 2.030 0.756 0.540 0.910 0.423 CB 1.430 79 residues pruned to eliminate duplicates Z: 19 14.704 1.988 0.538 0.552 0.833 0.556 CB 1.294 19 residues pruned to eliminate duplicates Z: 35 22.521 1.946 0.785 0.540 0.794 0.588 CB 1.347 35 residues pruned to eliminate duplicates Z: 51 32.081 2.021 0.710 0.573 0.860 0.520 CB 1.423 51 residues pruned to eliminate duplicates Z: 51 36.488 2.056 0.740 0.601 0.900 0.520 CB 1.456 51 residues pruned to eliminate duplicates Z: 48 38.491 2.090 0.739 0.612 0.957 0.532 CA 1.451 48 residues pruned to eliminate duplicates Z: 56 36.509 2.045 0.800 0.594 0.891 0.509 CB 1.373 56 residues pruned to eliminate duplicates Z: 51 32.989 2.053 0.751 0.569 0.840 0.400 CB 1.445 51 residues pruned to eliminate duplicates Z: 50 38.391 2.087 0.844 0.619 0.898 0.571 CA 1.418 50 residues pruned to eliminate duplicates Z: 33 33.456 2.087 0.822 0.589 1.000 0.594 CA 1.429 33 residues pruned to eliminate duplicates Z: 78 43.360 2.049 0.723 0.554 0.909 0.532 CB 1.461 78 residues pruned to eliminate duplicates Z: 50 35.561 2.082 0.803 0.601 0.857 0.449 CB 1.434 50 residues pruned to eliminate duplicates Z: 37 25.755 2.049 0.671 0.538 0.889 0.444 CB 1.359 37 residues pruned to eliminate duplicates Z: 57 36.921 2.066 0.695 0.585 0.929 0.571 CB 1.399 57 residues pruned to eliminate duplicates Z: 50 41.430 2.098 0.807 0.617 0.939 0.531 CA 1.489 50 residues pruned to eliminate duplicates Z: 49 38.257 2.086 0.833 0.602 0.896 0.521 CA 1.463 49 residues pruned to eliminate duplicates Z: 54 37.473 2.054 0.820 0.558 0.887 0.547 CA 1.467 54 residues pruned to eliminate duplicates Z: 52 34.975 2.041 0.831 0.575 0.863 0.392 CA 1.414 52 residues pruned to eliminate duplicates Z: 52 33.288 2.014 0.752 0.510 0.902 0.510 CA 1.451 52 residues pruned to eliminate duplicates Z: 64 35.623 2.069 0.684 0.576 0.841 0.444 CB 1.423 64 residues pruned to eliminate duplicates Z: 54 35.478 2.045 0.722 0.549 0.943 0.566 CB 1.398 54 residues pruned to eliminate duplicates Z: 50 34.879 2.023 0.870 0.504 0.939 0.449 CA 1.398 50 residues pruned to eliminate duplicates Z: 50 34.841 2.031 0.812 0.532 0.918 0.429 CB 1.427 50 residues pruned to eliminate duplicates Z: 53 40.045 2.066 0.807 0.574 0.962 0.577 CA 1.441 53 residues pruned to eliminate duplicates Z: 51 37.542 2.054 0.750 0.584 0.920 0.520 CA 1.481 51 residues pruned to eliminate duplicates Z: 67 33.910 1.995 0.674 0.528 0.879 0.545 CB 1.383 67 residues pruned to eliminate duplicates Z: 57 33.591 2.033 0.696 0.535 0.911 0.536 CA 1.381 57 residues pruned to eliminate duplicates Z: 34 24.964 2.076 0.596 0.524 0.909 0.545 CB 1.409 34 residues pruned to eliminate duplicates Z: 45 25.103 1.972 0.762 0.464 0.841 0.477 CB 1.342 45 residues pruned to eliminate duplicates Z: 52 33.880 2.061 0.673 0.521 0.922 0.451 CB 1.463 52 residues pruned to eliminate duplicates Z: 12 7.631 1.858 0.193 0.414 0.909 0.455 CB 1.249 12 residues pruned to eliminate duplicates Z: 51 36.817 2.076 0.670 0.583 0.940 0.580 CA 1.475 51 residues pruned to eliminate duplicates Z: 37 21.659 2.036 0.452 0.469 0.889 0.667 CB 1.418 37 residues pruned to eliminate duplicates Z: 27 18.030 1.910 0.443 0.564 0.923 0.500 CB 1.306 27 residues pruned to eliminate duplicates Z: 9 3.696 1.763 0.104 0.226 0.750 0.125 CA 1.232 Z: 9 5.710 1.786 0.012 0.558 0.750 0.625 CA 1.408 Z: 17 16.574 1.935 0.750 0.656 0.875 0.500 CA 1.210 17 residues pruned to eliminate duplicates Z: 39 22.167 1.950 0.552 0.425 0.947 0.632 CB 1.356 39 residues pruned to eliminate duplicates Z: 20 18.933 2.054 0.630 0.525 0.895 0.632 CA 1.415 20 residues pruned to eliminate duplicates Z: 50 29.452 1.995 0.633 0.450 0.918 0.571 CB 1.481 59 residues pruned to eliminate duplicates Z: 13 18.419 1.985 0.424 0.770 1.000 0.417 CA 1.482 13 residues pruned to eliminate duplicates Z: 76 41.084 2.044 0.707 0.531 0.920 0.547 CB 1.434 76 residues pruned to eliminate duplicates Z: 36 23.027 1.972 0.579 0.454 0.943 0.571 CB 1.390 36 residues pruned to eliminate duplicates Z: 79 44.474 2.042 0.766 0.546 0.936 0.564 CB 1.427 79 residues pruned to eliminate duplicates Z: 63 36.529 2.032 0.782 0.561 0.839 0.581 CA 1.440 63 residues pruned to eliminate duplicates Z: 36 24.592 2.046 0.561 0.475 0.886 0.543 CB 1.507 36 residues pruned to eliminate duplicates Z: 36 25.771 2.055 0.581 0.480 0.943 0.571 CB 1.451 36 residues pruned to eliminate duplicates Z: 77 45.008 2.081 0.738 0.562 0.921 0.592 CB 1.459 77 residues pruned to eliminate duplicates Z: 43 26.192 2.020 0.496 0.483 0.952 0.595 CB 1.429 43 residues pruned to eliminate duplicates Z: 26 23.714 2.082 0.558 0.509 0.960 0.640 CA 1.510 26 residues pruned to eliminate duplicates Z: 63 32.310 2.010 0.673 0.466 0.903 0.597 CB 1.398 63 residues pruned to eliminate duplicates Z: 77 45.064 2.059 0.727 0.531 0.961 0.592 CB 1.468 77 residues pruned to eliminate duplicates Z: 34 22.296 2.007 0.632 0.443 0.848 0.455 CB 1.481 34 residues pruned to eliminate duplicates Z: 78 48.519 2.094 0.763 0.562 0.948 0.649 CA 1.488 78 residues pruned to eliminate duplicates Z: 36 22.494 2.042 0.595 0.465 0.829 0.543 CB 1.460 36 residues pruned to eliminate duplicates Z: 60 33.886 2.059 0.678 0.487 0.898 0.627 CA 1.440 60 residues pruned to eliminate duplicates Z: 61 33.685 2.003 0.686 0.498 0.917 0.550 CA 1.407 61 residues pruned to eliminate duplicates Z: 32 22.213 2.026 0.539 0.433 0.935 0.613 CA 1.466 33 residues pruned to eliminate duplicates Z: 6 3.281 1.590 0.287 0.496 0.800 0.400 CB 0.900 Z: 6 3.927 1.198 0.743 0.466 1.000 1.000 N 0.871 6 residues pruned to eliminate duplicates Z: 15 11.531 1.645 0.582 0.665 0.929 0.643 CB 1.094 15 residues pruned to eliminate duplicates Z: 17 10.511 1.677 0.556 0.742 0.812 0.562 CB 0.998 23 residues pruned to eliminate duplicates Z: 13 11.619 1.674 0.765 0.780 0.917 0.500 CB 0.967 13 residues pruned to eliminate duplicates Z: 13 12.026 1.792 0.648 0.751 0.833 0.667 CB 1.127 13 residues pruned to eliminate duplicates Z: 64 29.812 1.895 0.483 0.587 0.937 0.651 CB 1.313 64 residues pruned to eliminate duplicates Z: 13 8.698 1.684 0.508 0.779 0.833 0.583 CB 0.927 13 residues pruned to eliminate duplicates Z: 63 33.787 1.902 0.533 0.618 0.968 0.694 CB 1.360 63 residues pruned to eliminate duplicates Z: 14 11.942 1.684 0.727 0.746 0.923 0.462 CB 0.990 14 residues pruned to eliminate duplicates Z: 15 9.611 1.660 0.618 0.619 0.857 0.357 CB 0.998 15 residues pruned to eliminate duplicates Z: 18 10.826 1.690 0.602 0.713 0.824 0.471 CB 0.971 18 residues pruned to eliminate duplicates Z: 22 8.941 1.591 0.467 0.577 0.762 0.286 CB 1.019 22 residues pruned to eliminate duplicates Z: 67 31.108 1.890 0.518 0.599 0.909 0.667 CB 1.336 67 residues pruned to eliminate duplicates Z: 25 17.561 1.844 0.579 0.598 0.917 0.500 CB 1.223 25 residues pruned to eliminate duplicates Z: 43 22.622 1.855 0.490 0.571 0.905 0.548 CB 1.303 43 residues pruned to eliminate duplicates Z: 36 22.512 1.910 0.585 0.617 0.857 0.600 CB 1.314 36 residues pruned to eliminate duplicates Z: 26 16.693 1.939 0.498 0.575 0.840 0.600 CA 1.273 26 residues pruned to eliminate duplicates Z: 30 19.055 1.919 0.500 0.508 0.897 0.724 CA 1.360 30 residues pruned to eliminate duplicates Z: 25 10.231 1.784 0.463 0.473 0.667 0.292 CB 1.234 25 residues pruned to eliminate duplicates Z: 53 29.230 1.904 0.652 0.556 0.923 0.731 CA 1.322 53 residues pruned to eliminate duplicates Z: 13 11.521 1.858 0.804 0.438 0.833 0.583 CA 1.270 13 residues pruned to eliminate duplicates Z: 64 25.558 1.857 0.418 0.505 0.905 0.587 CA 1.345 64 residues pruned to eliminate duplicates Z: 36 17.293 1.847 0.407 0.474 0.914 0.543 CA 1.264 36 residues pruned to eliminate duplicates Z: 32 22.060 1.878 0.622 0.507 0.935 0.613 CA 1.381 32 residues pruned to eliminate duplicates Z: 50 30.080 1.958 0.532 0.595 0.918 0.735 CA 1.424 50 residues pruned to eliminate duplicates Z: 27 21.231 1.931 0.548 0.598 0.962 0.654 CA 1.319 27 residues pruned to eliminate duplicates Z: 26 17.506 1.909 0.439 0.580 0.920 0.640 CA 1.282 26 residues pruned to eliminate duplicates Z: 69 28.161 1.876 0.498 0.568 0.882 0.559 CB 1.290 69 residues pruned to eliminate duplicates Z: 67 28.174 1.878 0.401 0.518 0.955 0.621 CA 1.356 67 residues pruned to eliminate duplicates Z: 22 14.427 1.832 0.274 0.635 0.952 0.667 CB 1.248 22 residues pruned to eliminate duplicates Z: 36 20.398 1.771 0.532 0.490 0.943 0.629 CB 1.362 36 residues pruned to eliminate duplicates Z: 29 19.754 1.881 0.575 0.534 0.893 0.679 CA 1.364 29 residues pruned to eliminate duplicates Z: 26 20.359 1.941 0.496 0.574 0.960 0.640 CA 1.360 26 residues pruned to eliminate duplicates Z: 28 20.805 1.914 0.513 0.558 0.926 0.593 CA 1.411 28 residues pruned to eliminate duplicates Z: 37 18.081 1.826 0.500 0.470 0.833 0.528 CB 1.361 37 residues pruned to eliminate duplicates Z: 36 23.210 1.880 0.672 0.585 0.857 0.486 CB 1.342 36 residues pruned to eliminate duplicates Z: 39 21.427 1.864 0.532 0.496 0.868 0.579 CA 1.408 39 residues pruned to eliminate duplicates Z: 28 20.472 1.861 0.599 0.543 0.889 0.556 CA 1.428 28 residues pruned to eliminate duplicates Z: 38 22.960 1.888 0.477 0.528 0.919 0.622 CA 1.432 38 residues pruned to eliminate duplicates Z: 67 29.897 1.851 0.629 0.544 0.879 0.621 CB 1.331 67 residues pruned to eliminate duplicates Z: 14 7.214 1.819 0.421 0.380 0.692 0.462 CA 1.270 14 residues pruned to eliminate duplicates Z: 26 17.385 1.929 0.436 0.550 0.880 0.560 CA 1.358 26 residues pruned to eliminate duplicates Z: 37 18.803 1.845 0.552 0.502 0.861 0.583 CB 1.268 37 residues pruned to eliminate duplicates Z: 52 28.557 1.928 0.508 0.564 0.922 0.627 CA 1.403 52 residues pruned to eliminate duplicates Z: 14 7.918 1.857 0.360 0.305 0.769 0.462 CA 1.404 14 residues pruned to eliminate duplicates Z: 36 21.355 1.856 0.462 0.502 0.943 0.571 CB 1.409 36 residues pruned to eliminate duplicates Z: 35 16.497 1.823 0.341 0.456 0.882 0.676 CB 1.372 35 residues pruned to eliminate duplicates Z: 50 22.741 1.842 0.537 0.517 0.816 0.551 CA 1.382 50 residues pruned to eliminate duplicates Z: 54 29.360 1.922 0.575 0.530 0.925 0.585 CA 1.400 54 residues pruned to eliminate duplicates Z: 25 18.646 1.937 0.390 0.568 0.917 0.542 CA 1.443 25 residues pruned to eliminate duplicates Z: 34 17.472 1.853 0.365 0.475 0.879 0.727 CA 1.404 34 residues pruned to eliminate duplicates Z: 21 13.133 1.930 0.218 0.519 0.850 0.500 CA 1.443 21 residues pruned to eliminate duplicates Z: 44 20.286 1.861 0.418 0.494 0.884 0.628 CB 1.335 44 residues pruned to eliminate duplicates Z: 34 20.574 1.879 0.461 0.512 0.970 0.636 CB 1.329 34 residues pruned to eliminate duplicates Z: 14 23.479 2.016 0.663 0.830 1.000 0.769 CB 1.460 14 residues pruned to eliminate duplicates Z: 28 21.152 1.931 0.459 0.553 0.963 0.593 CB 1.425 28 residues pruned to eliminate duplicates Z: 19 15.850 1.854 0.500 0.657 0.944 0.778 CB 1.229 19 residues pruned to eliminate duplicates Z: 26 19.536 1.910 0.455 0.614 0.920 0.680 CB 1.372 26 residues pruned to eliminate duplicates Z: 17 20.546 1.939 0.736 0.740 0.938 0.812 CA 1.313 17 residues pruned to eliminate duplicates Z: 19 17.902 1.843 0.602 0.630 0.944 0.667 CA 1.339 19 residues pruned to eliminate duplicates Z: 26 17.850 1.866 0.631 0.658 0.880 0.600 CB 1.151 26 residues pruned to eliminate duplicates Z: 31 21.863 1.855 0.664 0.623 0.967 0.667 CB 1.192 32 residues pruned to eliminate duplicates 837 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 19 D: 8 E: 9 F: 13 G: 76 H: 9 I: 19 J: 14 K: 62 L: 214 M: 139 N: 240 CC for partial structure against native data = 45.26 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.385, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.455, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.535, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.544, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.547, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.548, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.549, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.549, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5522 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1287 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 28.937 2.089 0.767 0.884 1.000 0.643 CA 1.514 B: 12 28.690 2.250 0.720 0.921 0.909 0.636 CA 1.731 13 residues pruned to eliminate duplicates C: 15 29.006 2.173 0.852 0.895 1.000 0.714 CA 1.381 D: 17 27.978 2.070 0.777 0.874 0.938 0.875 CA 1.476 E: 15 38.017 2.145 1.180 0.883 1.000 0.286 CA 1.571 F: 15 28.746 2.120 0.761 0.903 1.000 0.643 CA 1.467 15 residues pruned to eliminate duplicates G: 14 36.609 2.268 0.969 0.902 1.000 0.615 CA 1.622 14 residues pruned to eliminate duplicates H: 15 26.554 2.122 0.768 0.848 0.857 0.357 CA 1.637 15 residues pruned to eliminate duplicates I: 14 28.294 2.232 0.618 0.902 1.000 0.769 CA 1.550 14 residues pruned to eliminate duplicates J: 18 29.695 1.867 0.877 0.863 1.000 0.588 CA 1.508 18 residues pruned to eliminate duplicates K: 15 34.123 2.173 0.978 0.885 1.000 0.643 CA 1.531 15 residues pruned to eliminate duplicates L: 13 32.295 2.266 0.772 0.902 1.000 0.833 CA 1.657 13 residues pruned to eliminate duplicates M: 15 32.735 2.183 0.803 0.932 1.000 0.714 CA 1.552 17 residues pruned to eliminate duplicates N: 18 17.447 1.948 0.360 0.816 1.000 0.765 CA 1.213 O: 11 23.320 1.955 1.000 0.876 1.000 0.800 CA 1.371 P: 16 18.853 1.944 0.263 0.885 1.000 0.667 CA 1.432 18 residues pruned to eliminate duplicates Q: 17 20.248 1.976 0.480 0.800 0.938 0.750 CA 1.420 16 residues pruned to eliminate duplicates R: 17 32.966 2.115 1.002 0.880 1.000 0.750 CA 1.411 15 residues pruned to eliminate duplicates S: 16 24.937 2.095 0.385 0.861 1.000 0.800 CA 1.630 16 residues pruned to eliminate duplicates T: 14 25.688 2.087 0.592 0.881 0.923 0.615 CA 1.681 14 residues pruned to eliminate duplicates U: 17 22.329 1.999 0.608 0.843 0.875 0.688 CA 1.478 17 residues pruned to eliminate duplicates V: 17 21.762 1.991 0.549 0.846 1.000 0.750 CA 1.311 17 residues pruned to eliminate duplicates W: 17 24.521 2.124 0.559 0.913 0.875 0.562 CA 1.497 X: 14 20.971 1.968 0.444 0.869 1.000 0.846 CA 1.495 Y: 15 27.341 2.012 0.731 0.902 1.000 0.500 CA 1.497 15 residues pruned to eliminate duplicates Z: 15 16.127 1.785 0.612 0.782 1.000 0.714 CA 1.169 Z: 14 21.122 1.818 0.615 0.937 1.000 0.923 CB 1.388 Z: 16 16.356 1.917 0.118 0.911 1.000 0.867 CA 1.397 16 residues pruned to eliminate duplicates Z: 17 23.089 2.003 0.733 0.832 0.875 0.375 CA 1.427 17 residues pruned to eliminate duplicates Z: 17 27.588 2.170 0.605 0.890 0.938 0.688 CA 1.519 17 residues pruned to eliminate duplicates Z: 8 24.402 2.197 0.977 0.880 1.000 0.857 CB 1.539 Z: 13 17.926 1.963 0.510 0.892 1.000 0.583 CB 1.254 10 residues pruned to eliminate duplicates Z: 16 35.469 2.237 0.819 0.911 1.000 0.800 CA 1.595 17 residues pruned to eliminate duplicates Z: 15 22.278 2.142 0.522 0.851 0.929 0.786 CA 1.456 15 residues pruned to eliminate duplicates Z: 17 22.924 2.031 0.587 0.860 0.938 0.812 CA 1.394 17 residues pruned to eliminate duplicates Z: 12 27.181 2.263 0.736 0.901 0.909 0.273 CB 1.639 12 residues pruned to eliminate duplicates Z: 15 14.790 1.856 0.435 0.766 1.000 0.643 CA 1.172 Z: 14 30.713 2.217 0.628 0.909 1.000 0.692 CB 1.675 14 residues pruned to eliminate duplicates Z: 14 25.206 2.252 0.548 0.891 0.923 0.538 CA 1.562 14 residues pruned to eliminate duplicates Z: 13 29.347 2.302 0.748 0.901 0.917 0.583 CB 1.640 13 residues pruned to eliminate duplicates Z: 13 20.877 2.003 0.399 0.878 1.000 0.667 CA 1.561 13 residues pruned to eliminate duplicates Z: 6 7.892 1.988 0.133 0.630 0.800 0.600 N 1.734 Z: 9 17.573 2.059 1.295 0.923 1.000 0.875 CA 0.924 Z: 15 15.465 1.789 0.568 0.778 0.929 0.571 CA 1.242 15 residues pruned to eliminate duplicates Z: 13 15.729 2.026 0.249 0.905 1.000 0.833 CA 1.276 Z: 16 22.250 2.006 0.437 0.888 1.000 0.600 CA 1.437 15 residues pruned to eliminate duplicates Z: 14 13.423 1.862 0.513 0.747 0.923 0.769 CA 1.148 14 residues pruned to eliminate duplicates Z: 8 8.032 1.659 0.784 0.719 0.714 0.571 N 1.177 Z: 11 17.482 1.881 0.562 0.929 1.000 0.800 CB 1.317 Z: 14 24.651 2.194 0.483 0.870 1.000 0.615 CA 1.533 14 residues pruned to eliminate duplicates Z: 7 9.599 1.776 0.175 0.788 1.000 0.833 CA 1.457 7 residues pruned to eliminate duplicates Z: 12 21.580 1.994 0.577 0.882 1.000 0.818 CB 1.497 11 residues pruned to eliminate duplicates Z: 15 22.422 2.139 0.442 0.876 0.929 0.786 CA 1.521 15 residues pruned to eliminate duplicates Z: 13 16.218 1.891 0.456 0.930 0.917 0.917 CB 1.297 12 residues pruned to eliminate duplicates Z: 16 26.235 2.213 0.462 0.884 1.000 0.933 CA 1.513 16 residues pruned to eliminate duplicates Z: 14 12.053 1.729 0.116 0.867 1.000 0.769 CB 1.267 14 residues pruned to eliminate duplicates Z: 15 32.142 2.163 0.923 0.869 1.000 0.786 CA 1.508 15 residues pruned to eliminate duplicates Z: 12 17.378 2.058 0.604 0.846 0.818 0.636 CA 1.441 12 residues pruned to eliminate duplicates Z: 13 16.838 1.961 0.468 0.893 1.000 0.833 CB 1.212 Z: 15 26.681 2.151 0.800 0.858 0.929 0.571 CA 1.460 15 residues pruned to eliminate duplicates Z: 16 21.163 2.062 0.457 0.879 0.933 0.800 CA 1.414 16 residues pruned to eliminate duplicates Z: 15 28.673 2.239 0.578 0.897 1.000 0.643 CA 1.553 15 residues pruned to eliminate duplicates Z: 13 18.611 2.029 0.353 0.848 1.000 0.750 CA 1.452 13 residues pruned to eliminate duplicates Z: 11 18.569 2.038 0.454 0.917 1.000 1.000 CB 1.398 11 residues pruned to eliminate duplicates Z: 13 20.835 1.963 0.604 0.915 1.000 0.750 CB 1.350 11 residues pruned to eliminate duplicates Z: 13 18.757 1.819 0.631 0.831 1.000 0.667 CA 1.371 13 residues pruned to eliminate duplicates Z: 15 16.631 2.000 0.319 0.838 1.000 0.786 CA 1.259 Z: 14 29.036 2.247 0.725 0.931 1.000 0.846 CA 1.452 14 residues pruned to eliminate duplicates Z: 8 7.303 1.985 0.391 0.874 0.857 0.571 CB 0.849 8 residues pruned to eliminate duplicates Z: 12 12.624 1.707 0.430 0.841 1.000 0.636 CB 1.162 Z: 14 15.337 1.736 0.538 0.871 0.923 0.692 CB 1.259 14 residues pruned to eliminate duplicates Z: 19 12.071 1.716 0.498 0.524 1.000 0.722 CA 1.080 Z: 17 23.669 2.130 0.463 0.861 1.000 0.688 CA 1.395 17 residues pruned to eliminate duplicates Z: 12 18.304 1.982 0.503 0.889 1.000 0.909 CB 1.334 12 residues pruned to eliminate duplicates Z: 18 24.277 2.007 0.806 0.833 0.882 0.471 CA 1.381 18 residues pruned to eliminate duplicates Z: 17 21.220 1.986 0.483 0.913 1.000 0.750 CA 1.275 15 residues pruned to eliminate duplicates Z: 15 16.187 1.958 0.502 0.881 0.929 0.643 CB 1.147 16 residues pruned to eliminate duplicates Z: 13 20.141 2.130 0.271 0.897 1.000 0.917 CA 1.537 13 residues pruned to eliminate duplicates Z: 13 16.241 1.910 0.300 0.849 1.000 0.917 CB 1.400 Z: 16 27.764 2.188 0.583 0.906 1.000 0.733 CA 1.472 16 residues pruned to eliminate duplicates Z: 116 52.663 2.039 0.727 0.545 0.896 0.557 CA 1.490 50 residues pruned to eliminate duplicates Z: 38 25.345 2.043 0.643 0.419 0.973 0.595 CB 1.388 Z: 16 19.802 2.081 0.397 0.866 1.000 0.667 CA 1.287 16 residues pruned to eliminate duplicates Z: 16 36.368 2.247 0.789 0.938 1.000 0.600 CA 1.625 15 residues pruned to eliminate duplicates Z: 11 21.132 2.024 0.955 0.835 1.000 0.700 CB 1.265 12 residues pruned to eliminate duplicates Z: 13 20.966 2.039 0.672 0.925 0.917 0.917 CB 1.358 12 residues pruned to eliminate duplicates Z: 15 15.445 2.004 0.252 0.882 1.000 0.786 CA 1.190 14 residues pruned to eliminate duplicates Z: 14 17.628 1.985 0.392 0.913 0.923 0.769 CA 1.356 14 residues pruned to eliminate duplicates Z: 11 9.457 1.665 0.257 0.887 0.900 0.700 CA 1.144 11 residues pruned to eliminate duplicates Z: 15 22.014 2.023 0.458 0.908 1.000 0.643 CA 1.418 Z: 14 13.524 1.857 0.625 0.784 0.769 0.462 CA 1.259 14 residues pruned to eliminate duplicates Z: 8 6.714 1.541 0.599 0.746 0.857 0.714 CA 0.964 8 residues pruned to eliminate duplicates Z: 12 16.768 2.052 0.510 0.899 1.000 0.818 CA 1.166 13 residues pruned to eliminate duplicates Z: 13 18.716 2.113 0.361 0.906 0.917 0.833 CA 1.457 13 residues pruned to eliminate duplicates Z: 15 14.300 1.865 0.313 0.798 1.000 0.571 CA 1.203 15 residues pruned to eliminate duplicates Z: 55 42.570 2.069 0.799 0.609 0.981 0.593 CA 1.430 34 residues pruned to eliminate duplicates Z: 56 33.221 2.022 0.647 0.561 0.927 0.655 CA 1.367 56 residues pruned to eliminate duplicates Z: 7 11.940 1.722 0.678 0.775 1.000 0.667 CA 1.322 8 residues pruned to eliminate duplicates Z: 14 12.623 1.868 0.430 0.753 0.923 0.692 CA 1.134 14 residues pruned to eliminate duplicates Z: 13 17.817 2.007 0.511 0.897 1.000 0.833 CA 1.214 13 residues pruned to eliminate duplicates Z: 17 25.237 2.008 0.657 0.837 1.000 0.688 CA 1.418 17 residues pruned to eliminate duplicates Z: 9 15.906 2.099 0.195 0.905 1.000 1.000 CA 1.596 9 residues pruned to eliminate duplicates Z: 13 20.631 1.858 1.075 0.790 0.833 0.667 CA 1.437 13 residues pruned to eliminate duplicates Z: 11 10.505 1.641 0.487 0.863 1.000 0.800 CB 0.999 Z: 17 29.215 2.043 0.655 0.861 1.000 0.625 CA 1.587 15 residues pruned to eliminate duplicates Z: 12 20.908 2.020 0.783 0.878 1.000 0.818 CA 1.271 12 residues pruned to eliminate duplicates Z: 16 29.095 2.224 0.699 0.922 0.933 0.667 CA 1.498 16 residues pruned to eliminate duplicates Z: 15 27.743 2.181 0.842 0.852 1.000 0.786 CA 1.365 15 residues pruned to eliminate duplicates Z: 14 20.558 1.926 0.650 0.924 1.000 0.462 CA 1.260 14 residues pruned to eliminate duplicates Z: 13 15.414 1.900 0.246 0.853 1.000 0.750 CB 1.389 13 residues pruned to eliminate duplicates Z: 16 20.267 1.961 0.421 0.908 1.000 0.933 CA 1.333 16 residues pruned to eliminate duplicates Z: 12 17.115 1.932 0.401 0.875 1.000 0.818 CB 1.387 12 residues pruned to eliminate duplicates Z: 16 19.282 1.950 0.357 0.839 1.000 0.600 CA 1.405 16 residues pruned to eliminate duplicates Z: 14 21.304 1.981 0.680 0.900 1.000 0.692 CB 1.268 14 residues pruned to eliminate duplicates Z: 14 20.495 2.020 0.641 0.902 0.923 0.615 CA 1.325 14 residues pruned to eliminate duplicates Z: 18 24.034 2.049 0.565 0.867 0.941 0.824 CA 1.412 18 residues pruned to eliminate duplicates Z: 13 29.369 2.074 0.865 0.867 1.000 0.417 CA 1.603 13 residues pruned to eliminate duplicates Z: 56 33.572 1.989 0.865 0.471 0.873 0.473 CA 1.440 41 residues pruned to eliminate duplicates Z: 16 16.792 1.920 0.248 0.854 0.933 0.933 CA 1.432 13 residues pruned to eliminate duplicates Z: 14 20.752 1.875 0.652 0.909 1.000 0.923 CA 1.319 Z: 17 17.919 1.848 0.439 0.878 1.000 0.812 CA 1.223 15 residues pruned to eliminate duplicates Z: 60 31.370 2.056 0.608 0.442 0.881 0.610 CA 1.489 34 residues pruned to eliminate duplicates Z: 13 29.626 2.092 0.843 0.913 1.000 0.667 CA 1.570 13 residues pruned to eliminate duplicates Z: 12 17.295 1.956 0.233 0.929 1.000 0.909 CB 1.513 Z: 14 21.013 1.823 0.695 0.869 1.000 0.385 CA 1.378 14 residues pruned to eliminate duplicates Z: 11 11.137 1.797 0.353 0.794 0.900 0.900 CA 1.244 11 residues pruned to eliminate duplicates Z: 44 27.113 2.018 0.553 0.546 0.930 0.535 CA 1.355 44 residues pruned to eliminate duplicates Z: 18 17.221 1.871 0.375 0.857 0.941 0.882 CA 1.271 18 residues pruned to eliminate duplicates Z: 23 13.784 1.734 0.576 0.446 0.909 0.682 CB 1.251 19 residues pruned to eliminate duplicates Z: 30 17.600 1.976 0.665 0.490 0.897 0.552 CB 1.120 9 residues pruned to eliminate duplicates Z: 17 24.044 1.992 0.774 0.859 1.000 0.750 CA 1.251 17 residues pruned to eliminate duplicates Z: 29 23.723 2.029 0.782 0.481 0.964 0.750 CA 1.312 29 residues pruned to eliminate duplicates Z: 16 11.718 1.859 0.348 0.579 0.933 0.667 CB 1.198 11 residues pruned to eliminate duplicates Z: 15 20.619 1.934 0.710 0.800 1.000 0.571 CA 1.281 15 residues pruned to eliminate duplicates Z: 13 20.057 2.095 0.450 0.912 0.917 0.750 CA 1.473 13 residues pruned to eliminate duplicates Z: 12 19.404 2.009 0.656 0.922 1.000 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 20 14.463 1.936 0.595 0.425 0.789 0.526 CA 1.471 20 residues pruned to eliminate duplicates Z: 58 39.008 2.072 0.830 0.478 0.930 0.614 CA 1.499 45 residues pruned to eliminate duplicates Z: 11 18.708 1.953 0.824 0.863 0.800 0.700 CB 1.523 11 residues pruned to eliminate duplicates Z: 13 14.686 1.926 0.406 0.783 0.917 0.667 CA 1.332 13 residues pruned to eliminate duplicates Z: 36 23.029 1.995 0.475 0.448 0.971 0.543 CA 1.437 15 residues pruned to eliminate duplicates Z: 6 7.027 1.899 0.587 0.549 1.000 0.600 CB 0.994 6 residues pruned to eliminate duplicates Z: 11 19.134 2.005 0.579 0.897 1.000 0.800 CB 1.368 12 residues pruned to eliminate duplicates Z: 16 23.037 1.985 0.616 0.874 1.000 0.800 CA 1.350 16 residues pruned to eliminate duplicates Z: 13 15.918 1.916 0.535 0.850 0.833 0.583 CB 1.389 13 residues pruned to eliminate duplicates Z: 13 22.241 2.056 0.494 0.917 1.000 1.000 CA 1.475 13 residues pruned to eliminate duplicates Z: 37 31.680 2.102 0.745 0.507 0.917 0.611 CB 1.559 37 residues pruned to eliminate duplicates Z: 6 11.436 1.812 0.861 0.736 1.000 0.800 CA 1.227 8 residues pruned to eliminate duplicates Z: 24 17.545 2.007 0.653 0.536 0.870 0.435 CB 1.223 Z: 11 18.046 1.803 0.913 0.918 1.000 0.800 CA 1.167 11 residues pruned to eliminate duplicates Z: 16 24.704 2.210 0.515 0.802 1.000 0.800 CA 1.463 16 residues pruned to eliminate duplicates Z: 14 25.682 1.990 0.882 0.922 0.923 0.692 CA 1.449 13 residues pruned to eliminate duplicates Z: 11 17.717 2.092 0.483 0.894 0.900 0.700 CA 1.440 11 residues pruned to eliminate duplicates Z: 36 16.155 1.813 0.440 0.403 0.971 0.714 CB 1.192 23 residues pruned to eliminate duplicates Z: 68 37.325 1.985 0.551 0.638 0.955 0.687 CA 1.363 29 residues pruned to eliminate duplicates Z: 13 15.205 1.874 0.625 0.848 0.833 0.750 CA 1.283 12 residues pruned to eliminate duplicates Z: 15 11.219 1.965 0.606 0.300 0.857 0.571 CB 1.386 15 residues pruned to eliminate duplicates Z: 9 8.683 1.836 0.533 0.849 0.750 0.250 CB 1.078 9 residues pruned to eliminate duplicates Z: 15 34.361 2.114 0.790 0.891 1.000 0.357 CA 1.745 17 residues pruned to eliminate duplicates Z: 14 14.730 1.774 0.561 0.876 0.923 0.538 CA 1.162 19 residues pruned to eliminate duplicates Z: 42 25.047 1.858 0.625 0.500 0.951 0.463 CB 1.361 12 residues pruned to eliminate duplicates Z: 7 9.896 1.623 0.570 0.803 1.000 0.667 CA 1.216 Z: 14 26.110 2.034 0.928 0.907 0.923 0.538 CA 1.422 14 residues pruned to eliminate duplicates Z: 19 17.099 1.751 0.462 0.876 0.944 0.667 CA 1.212 19 residues pruned to eliminate duplicates Z: 38 25.026 1.974 0.604 0.557 0.919 0.595 CB 1.337 37 residues pruned to eliminate duplicates Z: 20 12.469 1.709 0.509 0.466 1.000 0.684 CB 1.148 20 residues pruned to eliminate duplicates Z: 16 20.770 2.171 0.389 0.901 1.000 0.800 CA 1.269 16 residues pruned to eliminate duplicates Z: 11 11.977 1.847 0.795 0.812 0.700 0.600 CB 1.244 11 residues pruned to eliminate duplicates Z: 9 15.012 2.052 0.305 0.869 1.000 0.875 CB 1.448 9 residues pruned to eliminate duplicates Z: 28 10.772 1.581 0.633 0.389 0.778 0.444 CA 1.161 26 residues pruned to eliminate duplicates Z: 18 19.901 1.821 0.694 0.881 1.000 0.647 CA 1.133 18 residues pruned to eliminate duplicates Z: 12 21.204 1.949 0.666 0.930 1.000 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 17 27.216 2.118 0.857 0.904 1.000 0.812 CA 1.232 17 residues pruned to eliminate duplicates Z: 17 19.014 1.906 0.230 0.899 1.000 0.688 CA 1.449 17 residues pruned to eliminate duplicates Z: 13 12.942 1.869 0.422 0.842 0.917 0.750 CB 1.143 13 residues pruned to eliminate duplicates Z: 12 10.004 1.728 0.666 0.527 0.818 0.455 CA 1.247 12 residues pruned to eliminate duplicates Z: 41 26.536 1.906 0.606 0.651 0.900 0.650 CB 1.323 29 residues pruned to eliminate duplicates Z: 8 15.014 1.895 0.492 0.896 1.000 1.000 CA 1.437 8 residues pruned to eliminate duplicates Z: 17 9.518 1.729 0.785 0.330 0.812 0.562 CA 1.144 14 residues pruned to eliminate duplicates Z: 7 6.824 1.832 0.407 0.770 0.667 0.667 N 1.276 7 residues pruned to eliminate duplicates Z: 33 21.584 2.010 0.699 0.581 0.875 0.688 CA 1.182 26 residues pruned to eliminate duplicates Z: 12 19.272 1.867 0.868 0.882 0.909 0.727 CB 1.326 12 residues pruned to eliminate duplicates Z: 17 31.993 1.957 0.998 0.911 1.000 0.688 CA 1.449 17 residues pruned to eliminate duplicates Z: 10 17.166 1.857 0.693 0.905 1.000 0.889 CA 1.295 10 residues pruned to eliminate duplicates Z: 19 12.403 1.749 0.768 0.511 0.833 0.500 CB 1.122 Z: 13 12.529 2.029 0.374 0.900 0.917 0.833 CA 1.011 13 residues pruned to eliminate duplicates Z: 13 19.986 1.988 0.716 0.809 0.917 0.667 CA 1.409 13 residues pruned to eliminate duplicates Z: 14 10.295 1.987 0.105 0.654 0.923 0.692 CB 1.221 14 residues pruned to eliminate duplicates Z: 10 10.608 1.767 0.873 0.413 1.000 0.556 CB 1.170 11 residues pruned to eliminate duplicates Z: 27 18.062 1.956 0.560 0.582 0.923 0.577 CB 1.163 27 residues pruned to eliminate duplicates Z: 6 13.152 2.012 0.447 0.862 1.000 1.000 CA 1.484 6 residues pruned to eliminate duplicates Z: 12 22.292 1.973 0.546 0.932 1.000 0.545 CB 1.539 12 residues pruned to eliminate duplicates Z: 15 17.078 1.816 0.408 0.857 1.000 0.786 CA 1.315 15 residues pruned to eliminate duplicates Z: 51 37.977 2.056 0.790 0.560 0.960 0.520 CB 1.434 37 residues pruned to eliminate duplicates Z: 15 24.139 2.050 0.448 0.904 1.000 0.857 CA 1.547 15 residues pruned to eliminate duplicates Z: 13 17.289 1.865 0.546 0.907 1.000 0.667 CB 1.230 13 residues pruned to eliminate duplicates Z: 18 21.812 2.012 0.535 0.869 1.000 0.765 CA 1.251 18 residues pruned to eliminate duplicates Z: 8 8.547 1.716 0.498 0.857 0.857 0.714 CA 1.080 Z: 14 21.491 1.918 0.764 0.820 0.923 0.692 CA 1.447 13 residues pruned to eliminate duplicates Z: 17 23.994 2.099 0.719 0.877 0.938 0.812 CA 1.288 17 residues pruned to eliminate duplicates Z: 37 24.272 1.971 0.622 0.463 0.944 0.639 CA 1.391 36 residues pruned to eliminate duplicates Z: 30 25.836 2.059 0.569 0.575 0.966 0.621 CA 1.431 30 residues pruned to eliminate duplicates Z: 10 11.565 1.868 0.822 0.806 1.000 0.444 CB 0.867 10 residues pruned to eliminate duplicates Z: 17 25.658 2.012 0.648 0.914 1.000 0.812 CA 1.369 17 residues pruned to eliminate duplicates Z: 12 15.968 1.980 0.310 0.896 0.909 0.545 CB 1.462 12 residues pruned to eliminate duplicates Z: 16 25.507 2.154 0.675 0.880 1.000 0.867 CA 1.323 16 residues pruned to eliminate duplicates Z: 15 20.660 2.056 0.629 0.812 0.857 0.500 CA 1.466 15 residues pruned to eliminate duplicates Z: 31 18.004 1.938 0.511 0.491 0.900 0.600 CB 1.258 29 residues pruned to eliminate duplicates Z: 35 24.870 2.044 0.605 0.489 0.912 0.588 CB 1.442 35 residues pruned to eliminate duplicates Z: 14 12.374 1.775 0.282 0.885 0.923 0.846 CA 1.180 14 residues pruned to eliminate duplicates Z: 55 36.354 2.032 0.562 0.598 0.981 0.630 CA 1.447 55 residues pruned to eliminate duplicates Z: 17 24.021 1.947 0.620 0.912 1.000 0.625 CA 1.348 17 residues pruned to eliminate duplicates Z: 13 23.532 1.925 0.761 0.919 1.000 0.667 CA 1.413 12 residues pruned to eliminate duplicates Z: 6 7.510 1.789 0.467 0.465 1.000 0.800 CA 1.326 6 residues pruned to eliminate duplicates Z: 14 21.580 1.897 0.643 0.913 1.000 0.769 CA 1.359 14 residues pruned to eliminate duplicates Z: 16 29.306 2.194 0.668 0.906 0.933 0.667 CA 1.576 16 residues pruned to eliminate duplicates Z: 6 6.143 1.728 0.267 0.736 1.000 0.800 N 1.016 6 residues pruned to eliminate duplicates Z: 16 20.273 1.955 0.548 0.843 1.000 0.667 CA 1.288 16 residues pruned to eliminate duplicates Z: 47 20.440 1.803 0.482 0.563 0.957 0.630 CB 1.108 37 residues pruned to eliminate duplicates Z: 59 35.462 2.046 0.724 0.513 0.879 0.500 CA 1.482 59 residues pruned to eliminate duplicates Z: 10 3.021 1.433 0.309 0.316 0.667 0.222 CB 0.987 Z: 6 5.283 2.058 0.648 0.574 0.800 0.600 CB 0.810 Z: 14 21.167 1.909 0.920 0.831 0.923 0.538 CA 1.304 14 residues pruned to eliminate duplicates Z: 13 18.413 1.893 0.754 0.892 0.833 0.417 CA 1.380 13 residues pruned to eliminate duplicates Z: 14 15.220 1.834 0.527 0.808 1.000 0.846 CA 1.152 14 residues pruned to eliminate duplicates Z: 15 10.581 1.883 0.550 0.359 0.929 0.714 CB 1.215 Z: 14 19.889 1.866 0.636 0.871 0.923 0.462 CA 1.428 14 residues pruned to eliminate duplicates Z: 47 29.609 2.037 0.746 0.502 0.870 0.565 CA 1.409 47 residues pruned to eliminate duplicates Z: 12 20.885 2.071 0.615 0.901 1.000 0.727 CA 1.344 12 residues pruned to eliminate duplicates Z: 33 26.795 2.035 0.616 0.604 0.938 0.688 CA 1.392 32 residues pruned to eliminate duplicates Z: 12 19.412 1.981 0.343 0.931 1.000 0.818 CB 1.537 12 residues pruned to eliminate duplicates Z: 17 10.565 1.853 0.629 0.526 0.875 0.625 CB 0.974 17 residues pruned to eliminate duplicates Z: 11 14.248 1.894 0.955 0.917 1.000 0.800 CB 0.859 Z: 11 17.130 1.849 0.742 0.877 1.000 0.600 CB 1.222 11 residues pruned to eliminate duplicates Z: 23 15.941 1.846 0.381 0.648 0.909 0.818 CB 1.277 12 residues pruned to eliminate duplicates Z: 14 21.152 2.072 0.571 0.897 1.000 0.615 CA 1.291 14 residues pruned to eliminate duplicates Z: 28 17.494 1.852 0.629 0.490 0.852 0.481 CA 1.323 28 residues pruned to eliminate duplicates Z: 9 16.862 1.972 0.645 0.888 1.000 0.875 CA 1.324 9 residues pruned to eliminate duplicates Z: 9 10.905 2.011 0.313 0.893 1.000 1.000 CB 1.048 9 residues pruned to eliminate duplicates Z: 13 30.246 2.133 0.855 0.872 1.000 0.583 CA 1.609 13 residues pruned to eliminate duplicates Z: 12 21.249 1.985 0.472 0.933 1.000 0.545 CB 1.530 12 residues pruned to eliminate duplicates Z: 12 23.636 2.067 0.892 0.913 0.909 0.182 CA 1.419 13 residues pruned to eliminate duplicates Z: 36 23.950 1.987 0.688 0.476 0.886 0.543 CB 1.397 36 residues pruned to eliminate duplicates Z: 12 14.589 1.957 0.391 0.887 0.909 0.909 CB 1.282 12 residues pruned to eliminate duplicates Z: 15 14.625 1.999 0.374 0.888 1.000 0.571 CA 1.025 15 residues pruned to eliminate duplicates Z: 15 13.985 1.823 0.439 0.764 1.000 0.643 CA 1.126 15 residues pruned to eliminate duplicates Z: 16 24.952 1.885 0.695 0.890 1.000 0.667 CB 1.450 16 residues pruned to eliminate duplicates Z: 15 11.528 2.010 0.545 0.336 0.929 0.714 CA 1.277 15 residues pruned to eliminate duplicates Z: 15 29.840 2.252 0.715 0.890 1.000 0.929 CA 1.486 15 residues pruned to eliminate duplicates Z: 71 38.031 2.008 0.795 0.473 0.900 0.557 CA 1.440 58 residues pruned to eliminate duplicates Z: 13 9.743 1.893 0.596 0.425 0.833 0.667 CB 1.208 13 residues pruned to eliminate duplicates Z: 11 9.036 1.721 0.586 0.387 0.900 0.500 CB 1.311 11 residues pruned to eliminate duplicates Z: 34 26.577 1.944 0.813 0.474 0.939 0.576 CA 1.435 34 residues pruned to eliminate duplicates Z: 11 8.471 1.675 0.520 0.417 0.900 0.700 N 1.274 11 residues pruned to eliminate duplicates Z: 15 34.842 2.152 0.957 0.894 1.000 0.571 CA 1.587 15 residues pruned to eliminate duplicates Z: 10 23.061 1.972 1.211 0.894 1.000 0.667 CA 1.265 10 residues pruned to eliminate duplicates Z: 12 22.201 1.919 1.061 0.849 0.818 0.455 N 1.533 12 residues pruned to eliminate duplicates Z: 14 17.828 1.870 0.576 0.776 1.000 0.692 CB 1.315 14 residues pruned to eliminate duplicates Z: 24 19.825 1.954 0.393 0.670 0.957 0.783 CB 1.358 24 residues pruned to eliminate duplicates Z: 12 15.106 1.804 0.540 0.735 1.000 0.545 CB 1.328 12 residues pruned to eliminate duplicates Z: 7 3.212 1.699 -0.119 0.393 0.833 0.667 CB 1.178 Z: 36 30.163 2.134 0.715 0.528 0.886 0.657 CA 1.529 36 residues pruned to eliminate duplicates Z: 17 18.475 1.881 0.542 0.825 0.938 0.625 CA 1.282 17 residues pruned to eliminate duplicates Z: 17 29.855 2.038 0.955 0.872 1.000 0.625 CA 1.365 17 residues pruned to eliminate duplicates Z: 16 25.715 2.131 0.640 0.876 0.933 0.800 CB 1.479 16 residues pruned to eliminate duplicates Z: 15 21.594 1.952 0.724 0.932 0.857 0.571 CA 1.397 15 residues pruned to eliminate duplicates Z: 14 21.237 2.081 0.316 0.938 1.000 0.846 CA 1.495 14 residues pruned to eliminate duplicates Z: 14 28.648 2.151 0.740 0.889 0.923 0.538 CA 1.655 14 residues pruned to eliminate duplicates Z: 14 16.097 2.062 0.376 0.905 1.000 0.846 CA 1.119 14 residues pruned to eliminate duplicates Z: 57 38.078 2.089 0.717 0.618 0.893 0.500 CB 1.422 52 residues pruned to eliminate duplicates Z: 15 11.408 1.724 0.287 0.766 0.857 0.643 CB 1.266 15 residues pruned to eliminate duplicates Z: 10 16.797 1.968 0.764 0.880 1.000 0.889 CB 1.169 10 residues pruned to eliminate duplicates Z: 15 20.230 1.820 0.708 0.818 1.000 0.643 CA 1.320 15 residues pruned to eliminate duplicates Z: 38 22.272 1.846 0.589 0.631 0.811 0.595 CB 1.361 14 residues pruned to eliminate duplicates Z: 51 34.829 2.025 0.812 0.603 0.860 0.560 CA 1.415 51 residues pruned to eliminate duplicates Z: 57 31.358 1.916 0.692 0.549 0.946 0.571 CB 1.302 60 residues pruned to eliminate duplicates Z: 16 17.364 1.902 0.473 0.903 0.800 0.533 CB 1.425 16 residues pruned to eliminate duplicates Z: 46 31.879 2.018 0.816 0.555 0.844 0.356 CA 1.455 46 residues pruned to eliminate duplicates Z: 13 21.356 2.072 0.716 0.884 0.917 0.750 CB 1.367 13 residues pruned to eliminate duplicates Z: 18 25.987 2.003 0.952 0.864 0.824 0.353 CA 1.435 18 residues pruned to eliminate duplicates Z: 24 17.582 1.914 0.498 0.678 0.870 0.696 CB 1.248 24 residues pruned to eliminate duplicates Z: 15 18.766 1.950 0.237 0.908 1.000 1.000 CA 1.477 15 residues pruned to eliminate duplicates Z: 27 24.268 2.040 0.633 0.607 0.962 0.769 CB 1.342 28 residues pruned to eliminate duplicates Z: 15 8.203 1.695 0.477 0.367 0.929 0.571 CB 1.089 Z: 7 16.645 2.084 0.707 0.664 1.000 0.667 CA 1.641 7 residues pruned to eliminate duplicates Z: 16 13.645 1.894 0.798 0.673 0.667 0.400 CB 1.323 16 residues pruned to eliminate duplicates Z: 12 11.619 1.756 0.261 0.822 1.000 0.545 CB 1.197 12 residues pruned to eliminate duplicates Z: 17 29.077 2.097 0.747 0.878 1.000 0.812 CA 1.440 17 residues pruned to eliminate duplicates Z: 12 12.473 1.994 0.160 0.908 1.000 0.818 CB 1.155 12 residues pruned to eliminate duplicates Z: 14 9.985 1.704 0.381 0.502 0.923 0.846 CB 1.273 13 residues pruned to eliminate duplicates Z: 34 20.367 1.980 0.628 0.525 0.879 0.545 CA 1.222 34 residues pruned to eliminate duplicates Z: 11 22.840 1.978 0.719 0.925 1.000 0.800 CB 1.491 11 residues pruned to eliminate duplicates Z: 9 16.096 1.877 1.142 0.870 1.000 0.875 CA 1.033 9 residues pruned to eliminate duplicates Z: 18 14.066 1.979 0.668 0.470 0.941 0.353 CB 1.132 18 residues pruned to eliminate duplicates Z: 14 14.759 1.808 0.161 0.923 1.000 0.923 CA 1.370 14 residues pruned to eliminate duplicates Z: 13 15.716 1.764 0.705 0.905 1.000 0.500 CB 1.074 16 residues pruned to eliminate duplicates Z: 21 18.643 1.988 0.705 0.553 0.900 0.600 CB 1.298 21 residues pruned to eliminate duplicates Z: 19 21.774 2.024 0.487 0.724 0.944 0.722 CB 1.475 16 residues pruned to eliminate duplicates Z: 29 16.722 1.860 0.585 0.536 0.857 0.536 CB 1.206 29 residues pruned to eliminate duplicates Z: 15 32.760 2.149 0.724 0.869 1.000 0.500 CA 1.726 15 residues pruned to eliminate duplicates Z: 16 22.148 1.923 0.550 0.900 0.933 0.733 CA 1.468 16 residues pruned to eliminate duplicates Z: 10 12.464 1.955 0.510 0.619 0.889 0.667 CA 1.415 7 residues pruned to eliminate duplicates Z: 12 5.447 1.530 0.563 0.333 0.727 0.455 CB 1.134 Z: 68 30.048 1.953 0.496 0.578 0.881 0.522 CB 1.323 68 residues pruned to eliminate duplicates Z: 14 16.705 1.965 0.386 0.857 1.000 0.615 CA 1.254 14 residues pruned to eliminate duplicates Z: 6 5.297 1.597 0.712 0.667 0.800 0.800 CB 0.929 6 residues pruned to eliminate duplicates Z: 13 12.150 1.681 0.609 0.736 0.833 0.750 CA 1.259 13 residues pruned to eliminate duplicates Z: 10 9.269 1.758 0.510 0.859 0.889 0.667 CB 0.964 10 residues pruned to eliminate duplicates Z: 14 19.496 1.909 0.554 0.798 1.000 0.615 CA 1.404 14 residues pruned to eliminate duplicates Z: 53 33.087 1.946 0.623 0.604 0.962 0.558 CA 1.368 53 residues pruned to eliminate duplicates Z: 22 24.241 2.076 0.711 0.641 0.952 0.667 CA 1.371 22 residues pruned to eliminate duplicates Z: 12 24.631 1.957 0.889 0.937 1.000 0.727 CB 1.398 12 residues pruned to eliminate duplicates Z: 15 21.627 2.021 0.605 0.813 0.857 0.214 CA 1.584 15 residues pruned to eliminate duplicates Z: 15 7.822 1.770 0.304 0.404 0.786 0.714 CA 1.275 15 residues pruned to eliminate duplicates Z: 6 6.010 1.674 0.610 0.808 0.800 0.800 N 0.953 6 residues pruned to eliminate duplicates Z: 6 8.901 1.653 0.318 0.862 1.000 1.000 CB 1.342 6 residues pruned to eliminate duplicates Z: 10 18.377 1.814 0.846 0.922 1.000 0.889 CA 1.286 10 residues pruned to eliminate duplicates Z: 6 8.235 1.787 0.616 0.858 0.800 0.600 CB 1.174 6 residues pruned to eliminate duplicates Z: 18 12.051 1.724 0.625 0.729 0.882 0.765 CB 0.962 18 residues pruned to eliminate duplicates Z: 55 37.824 2.105 0.698 0.586 0.926 0.611 CB 1.433 55 residues pruned to eliminate duplicates Z: 7 8.936 1.732 0.535 0.843 1.000 0.833 CA 1.021 7 residues pruned to eliminate duplicates Z: 12 11.039 1.816 0.394 0.703 1.000 0.909 CB 1.093 12 residues pruned to eliminate duplicates Z: 13 20.555 2.007 0.589 0.882 1.000 0.833 CA 1.347 13 residues pruned to eliminate duplicates Z: 12 11.826 1.936 0.103 0.893 0.909 0.818 CB 1.319 12 residues pruned to eliminate duplicates Z: 21 10.089 1.676 0.531 0.466 0.800 0.650 CB 1.139 21 residues pruned to eliminate duplicates Z: 26 14.412 1.857 0.649 0.365 0.880 0.520 CA 1.237 26 residues pruned to eliminate duplicates Z: 28 16.046 1.870 0.633 0.484 0.815 0.444 CB 1.261 28 residues pruned to eliminate duplicates Z: 39 36.383 2.111 0.736 0.631 0.947 0.579 CB 1.503 39 residues pruned to eliminate duplicates Z: 24 7.954 1.714 0.545 0.284 0.652 0.391 CB 1.226 Z: 12 15.899 1.896 0.592 0.898 1.000 0.636 CB 1.136 12 residues pruned to eliminate duplicates Z: 12 22.706 2.011 0.715 0.907 1.000 0.818 CA 1.411 12 residues pruned to eliminate duplicates Z: 6 3.510 1.886 -0.149 0.827 1.000 1.000 CB 0.737 Z: 22 24.378 2.068 0.716 0.650 0.952 0.524 CA 1.369 22 residues pruned to eliminate duplicates Z: 16 15.643 1.893 0.796 0.425 0.867 0.600 CA 1.481 16 residues pruned to eliminate duplicates Z: 10 18.083 2.089 0.756 0.918 1.000 0.778 CB 1.159 10 residues pruned to eliminate duplicates Z: 20 27.930 2.140 0.691 0.734 0.947 0.632 CA 1.514 20 residues pruned to eliminate duplicates Z: 10 12.898 1.968 0.901 0.456 0.778 0.556 CA 1.545 10 residues pruned to eliminate duplicates Z: 17 22.018 1.913 0.387 0.884 1.000 0.562 CA 1.499 17 residues pruned to eliminate duplicates Z: 9 12.345 2.032 0.562 0.517 1.000 0.750 CA 1.353 9 residues pruned to eliminate duplicates Z: 15 15.849 1.660 0.703 0.859 0.929 0.500 CA 1.187 15 residues pruned to eliminate duplicates Z: 46 27.418 1.988 0.608 0.506 0.911 0.600 CA 1.395 46 residues pruned to eliminate duplicates Z: 9 13.140 1.833 0.620 0.875 1.000 0.875 CA 1.138 8 residues pruned to eliminate duplicates Z: 47 19.050 1.832 0.425 0.472 0.913 0.500 CB 1.213 45 residues pruned to eliminate duplicates Z: 8 7.010 1.741 0.585 0.856 0.714 0.429 CB 0.992 8 residues pruned to eliminate duplicates Z: 25 26.002 2.050 0.732 0.655 0.917 0.583 CA 1.412 25 residues pruned to eliminate duplicates Z: 12 20.223 1.984 0.456 0.934 1.000 1.000 CB 1.472 12 residues pruned to eliminate duplicates Z: 15 24.535 1.963 0.785 0.928 1.000 0.643 CA 1.310 15 residues pruned to eliminate duplicates Z: 6 7.225 1.904 0.719 0.630 0.800 0.800 CB 1.092 6 residues pruned to eliminate duplicates Z: 47 27.451 2.047 0.574 0.554 0.870 0.565 CA 1.370 49 residues pruned to eliminate duplicates Z: 13 22.667 1.855 0.825 0.870 1.000 0.417 CA 1.411 13 residues pruned to eliminate duplicates Z: 13 14.976 1.736 0.749 0.905 0.917 0.833 CB 1.106 13 residues pruned to eliminate duplicates Z: 12 16.796 1.983 0.569 0.768 1.000 0.818 CA 1.284 12 residues pruned to eliminate duplicates Z: 11 19.927 1.864 0.691 0.905 1.000 0.800 CA 1.423 11 residues pruned to eliminate duplicates Z: 13 14.466 1.830 0.154 0.917 1.000 0.917 CA 1.396 13 residues pruned to eliminate duplicates Z: 10 16.983 2.146 0.507 0.927 1.000 0.222 CB 1.226 10 residues pruned to eliminate duplicates Z: 6 7.018 1.689 0.082 0.841 1.000 0.400 CA 1.281 Z: 16 31.982 2.233 0.703 0.932 1.000 0.933 CA 1.516 16 residues pruned to eliminate duplicates Z: 14 22.623 2.019 0.878 0.906 0.923 0.923 CA 1.275 14 residues pruned to eliminate duplicates Z: 12 5.115 1.592 0.548 0.326 0.909 0.545 CB 0.833 12 residues pruned to eliminate duplicates Z: 10 19.525 1.976 1.028 0.842 1.000 0.667 CA 1.210 10 residues pruned to eliminate duplicates Z: 15 13.937 1.899 0.213 0.875 0.929 0.643 CA 1.266 15 residues pruned to eliminate duplicates Z: 11 11.738 1.765 0.472 0.874 1.000 0.500 CB 1.040 11 residues pruned to eliminate duplicates Z: 6 2.786 1.768 -0.324 0.529 0.800 0.800 CB 1.267 Z: 36 19.665 1.986 0.398 0.512 0.886 0.543 CB 1.336 36 residues pruned to eliminate duplicates Z: 32 20.819 1.936 0.623 0.495 0.935 0.452 CA 1.278 32 residues pruned to eliminate duplicates Z: 13 11.931 1.868 0.103 0.833 0.917 0.833 CB 1.369 13 residues pruned to eliminate duplicates Z: 6 2.479 1.744 0.613 0.688 0.800 0.600 CA 0.415 6 residues pruned to eliminate duplicates Z: 7 4.536 1.853 0.194 0.760 0.500 0.333 N 1.328 7 residues pruned to eliminate duplicates Z: 6 4.461 1.787 -0.111 0.655 1.000 0.600 CB 1.088 6 residues pruned to eliminate duplicates Z: 15 7.865 1.672 0.490 0.335 0.857 0.571 CB 1.179 15 residues pruned to eliminate duplicates Z: 48 26.489 1.931 0.561 0.522 0.936 0.553 CA 1.340 48 residues pruned to eliminate duplicates Z: 6 5.716 1.857 0.308 0.752 0.800 0.600 CA 1.051 6 residues pruned to eliminate duplicates Z: 6 8.463 1.699 0.414 0.808 1.000 0.800 CB 1.205 6 residues pruned to eliminate duplicates 7 1.562 1.597 -0.017 0.111 0.667 0.167 CB 0.996 ? Z: 12 18.509 2.074 0.412 0.903 1.000 0.636 CA 1.359 12 residues pruned to eliminate duplicates Z: 17 25.804 2.112 0.702 0.892 1.000 0.875 CA 1.289 17 residues pruned to eliminate duplicates Z: 12 35.060 2.247 0.982 0.911 1.000 0.273 CA 1.682 12 residues pruned to eliminate duplicates Z: 15 10.779 1.917 0.289 0.448 1.000 0.786 CA 1.230 15 residues pruned to eliminate duplicates Z: 6 5.264 1.550 0.361 0.792 1.000 0.800 CB 0.864 6 residues pruned to eliminate duplicates Z: 14 16.476 1.819 0.639 0.809 0.846 0.538 CA 1.384 14 residues pruned to eliminate duplicates Z: 13 14.865 1.902 0.733 0.869 0.917 0.500 CB 1.038 13 residues pruned to eliminate duplicates Z: 6 2.132 1.458 0.312 0.405 0.600 0.400 N 0.918 Z: 14 13.463 1.701 0.264 0.847 1.000 0.615 CB 1.290 13 residues pruned to eliminate duplicates Z: 24 22.626 2.012 0.718 0.644 0.870 0.478 CB 1.372 24 residues pruned to eliminate duplicates Z: 12 17.336 2.178 0.786 0.389 1.000 0.636 CA 1.512 12 residues pruned to eliminate duplicates Z: 27 30.806 2.021 0.969 0.596 0.923 0.462 CB 1.501 27 residues pruned to eliminate duplicates Z: 7 8.666 1.646 0.498 0.834 0.833 0.667 CA 1.290 7 residues pruned to eliminate duplicates Z: 9 7.990 1.515 0.516 0.577 1.000 0.875 N 1.142 Z: 6 7.507 1.627 0.829 0.625 1.000 1.000 CB 1.003 Z: 17 7.933 1.664 0.429 0.401 0.812 0.500 CA 1.139 17 residues pruned to eliminate duplicates Z: 13 14.085 1.903 0.406 0.783 0.917 0.500 CB 1.292 13 residues pruned to eliminate duplicates Z: 12 14.261 1.740 0.819 0.886 0.909 0.364 CB 1.079 12 residues pruned to eliminate duplicates Z: 13 14.769 1.889 0.622 0.927 0.917 0.833 CA 1.064 13 residues pruned to eliminate duplicates Z: 36 21.940 1.937 0.557 0.464 0.943 0.657 CB 1.353 25 residues pruned to eliminate duplicates Z: 16 13.613 1.785 0.407 0.795 0.933 0.667 CB 1.158 16 residues pruned to eliminate duplicates Z: 27 16.106 1.875 0.366 0.655 0.885 0.769 CA 1.207 27 residues pruned to eliminate duplicates Z: 8 6.274 1.732 0.055 0.762 0.857 0.429 CB 1.200 6 residues pruned to eliminate duplicates Z: 6 5.209 1.845 0.359 0.852 1.000 0.600 CB 0.687 6 residues pruned to eliminate duplicates Z: 13 7.147 1.646 0.606 0.398 0.833 0.500 CB 1.043 13 residues pruned to eliminate duplicates Z: 79 36.139 1.959 0.645 0.474 0.923 0.526 CB 1.413 79 residues pruned to eliminate duplicates Z: 7 5.748 1.639 0.529 0.390 0.833 0.667 N 1.262 Z: 29 15.479 1.869 0.321 0.565 0.893 0.571 CB 1.247 29 residues pruned to eliminate duplicates Z: 13 5.138 1.640 0.312 0.261 0.917 0.583 CB 0.989 13 residues pruned to eliminate duplicates Z: 11 15.753 1.891 0.363 0.923 1.000 0.800 CB 1.358 11 residues pruned to eliminate duplicates Z: 17 27.775 2.015 0.847 0.930 1.000 0.875 CA 1.305 17 residues pruned to eliminate duplicates Z: 9 10.133 1.738 0.594 0.519 1.000 0.875 CA 1.269 9 residues pruned to eliminate duplicates Z: 14 12.305 1.899 0.557 0.274 1.000 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 12 14.260 2.035 0.360 0.905 1.000 0.727 CA 1.106 12 residues pruned to eliminate duplicates Z: 16 20.933 2.001 0.472 0.806 0.867 0.533 CA 1.622 16 residues pruned to eliminate duplicates Z: 17 18.584 1.808 0.330 0.929 1.000 0.875 CA 1.352 17 residues pruned to eliminate duplicates Z: 59 32.878 1.975 0.715 0.480 0.914 0.569 CA 1.423 57 residues pruned to eliminate duplicates Z: 11 9.437 1.693 0.531 0.472 0.900 0.400 CA 1.316 6 residues pruned to eliminate duplicates Z: 9 13.337 2.023 0.437 0.891 1.000 0.625 CB 1.166 9 residues pruned to eliminate duplicates Z: 47 26.145 1.930 0.640 0.473 0.913 0.543 CB 1.371 47 residues pruned to eliminate duplicates Z: 15 35.642 2.119 1.057 0.912 1.000 0.429 CA 1.548 15 residues pruned to eliminate duplicates Z: 9 17.194 2.155 0.887 0.911 1.000 1.000 CB 1.059 9 residues pruned to eliminate duplicates Z: 80 36.229 1.981 0.683 0.509 0.886 0.671 CA 1.367 80 residues pruned to eliminate duplicates Z: 22 15.633 1.953 0.455 0.533 0.905 0.619 CA 1.285 22 residues pruned to eliminate duplicates Z: 16 28.531 1.969 0.929 0.900 1.000 0.733 CA 1.385 16 residues pruned to eliminate duplicates Z: 149 56.351 1.992 0.737 0.554 0.892 0.507 CB 1.425 131 residues pruned to eliminate duplicates Z: 40 19.704 1.925 0.526 0.437 0.872 0.564 CA 1.315 40 residues pruned to eliminate duplicates Z: 10 5.920 1.679 0.457 0.420 0.778 0.333 CB 1.127 10 residues pruned to eliminate duplicates 6 1.478 1.417 -0.014 0.283 0.600 0.400 CB 1.007 ? Z: 49 20.819 1.803 0.350 0.539 0.896 0.583 CB 1.326 51 residues pruned to eliminate duplicates Z: 9 13.941 1.757 1.051 0.816 1.000 0.750 CA 1.039 9 residues pruned to eliminate duplicates Z: 9 3.875 1.440 0.317 0.476 0.625 0.375 N 1.183 Z: 7 6.720 1.760 0.482 0.629 0.833 0.833 CB 1.118 7 residues pruned to eliminate duplicates Z: 8 8.504 1.471 0.532 0.822 1.000 0.571 CB 1.079 Z: 10 4.086 1.627 0.516 0.417 0.556 0.444 CA 1.084 10 residues pruned to eliminate duplicates Z: 6 4.567 1.909 0.002 0.666 0.800 0.600 CB 1.145 6 residues pruned to eliminate duplicates Z: 10 19.521 2.049 0.871 0.902 1.000 0.889 CA 1.211 10 residues pruned to eliminate duplicates Z: 33 24.325 2.089 0.501 0.496 0.938 0.750 CA 1.469 35 residues pruned to eliminate duplicates Z: 34 16.668 1.813 0.633 0.432 0.818 0.515 CB 1.285 39 residues pruned to eliminate duplicates Z: 9 3.991 1.595 0.126 0.407 0.750 0.750 N 1.155 Z: 49 25.783 1.998 0.668 0.511 0.896 0.583 CB 1.232 49 residues pruned to eliminate duplicates Z: 19 11.789 1.764 0.805 0.317 0.889 0.500 CB 1.201 43 residues pruned to eliminate duplicates Z: 12 11.415 1.676 0.819 0.609 0.909 0.818 CB 1.119 20 residues pruned to eliminate duplicates Z: 6 3.361 1.829 -0.203 0.850 1.000 0.800 CB 0.764 6 residues pruned to eliminate duplicates Z: 15 14.633 1.680 0.434 0.892 1.000 0.643 CB 1.166 15 residues pruned to eliminate duplicates Z: 14 9.681 1.593 0.624 0.832 0.923 0.692 CB 0.844 14 residues pruned to eliminate duplicates Z: 7 4.414 1.653 -0.061 0.855 0.833 0.667 CB 1.029 7 residues pruned to eliminate duplicates Z: 6 7.084 1.447 0.444 0.744 1.000 0.600 CA 1.219 Z: 7 5.919 1.770 -0.189 0.828 1.000 1.000 CB 1.267 7 residues pruned to eliminate duplicates Z: 37 17.389 1.838 0.446 0.497 0.889 0.556 CB 1.231 37 residues pruned to eliminate duplicates Z: 7 3.041 1.539 0.401 0.395 0.833 0.500 CB 0.772 Z: 10 12.584 1.855 0.962 0.795 0.889 0.667 CB 1.002 10 residues pruned to eliminate duplicates Z: 13 18.194 1.926 0.737 0.836 0.917 0.667 CA 1.282 13 residues pruned to eliminate duplicates Z: 7 8.276 1.573 0.439 0.861 1.000 1.000 CA 1.097 7 residues pruned to eliminate duplicates Z: 11 8.197 1.755 0.889 0.484 0.700 0.600 CA 1.135 11 residues pruned to eliminate duplicates Z: 29 19.168 1.898 0.682 0.494 0.893 0.643 CB 1.279 27 residues pruned to eliminate duplicates Z: 29 16.885 1.826 0.438 0.541 0.929 0.607 CB 1.256 29 residues pruned to eliminate duplicates Z: 9 9.976 1.808 0.655 0.826 0.875 0.500 CB 1.016 9 residues pruned to eliminate duplicates Z: 12 14.647 2.049 0.641 0.855 0.909 0.818 CA 1.066 12 residues pruned to eliminate duplicates Z: 36 22.345 1.837 0.490 0.654 0.943 0.571 CB 1.268 36 residues pruned to eliminate duplicates Z: 38 25.248 2.040 0.669 0.441 0.946 0.595 CA 1.370 38 residues pruned to eliminate duplicates Z: 13 16.207 1.700 0.807 0.887 1.000 0.583 CA 1.098 13 residues pruned to eliminate duplicates Z: 10 4.138 1.809 0.446 0.476 0.667 0.667 CA 0.811 10 residues pruned to eliminate duplicates Z: 7 3.884 1.620 0.774 0.557 0.667 0.667 CB 0.783 7 residues pruned to eliminate duplicates Z: 27 17.307 1.918 0.615 0.485 0.846 0.577 CA 1.314 27 residues pruned to eliminate duplicates Z: 14 18.312 1.889 0.634 0.892 0.846 0.692 CA 1.397 14 residues pruned to eliminate duplicates Z: 14 19.074 1.843 0.515 0.859 1.000 0.769 CA 1.394 14 residues pruned to eliminate duplicates Z: 35 21.847 1.902 0.586 0.547 0.853 0.500 CB 1.390 35 residues pruned to eliminate duplicates Z: 13 13.607 1.733 0.537 0.888 0.917 0.667 CB 1.159 13 residues pruned to eliminate duplicates Z: 7 8.672 1.565 0.751 0.640 1.000 1.000 CB 1.133 Z: 32 22.938 1.975 0.546 0.584 0.903 0.710 CB 1.378 32 residues pruned to eliminate duplicates Z: 38 22.313 1.950 0.626 0.457 0.865 0.514 CA 1.398 38 residues pruned to eliminate duplicates Z: 36 30.885 2.109 0.676 0.585 0.914 0.457 CA 1.489 36 residues pruned to eliminate duplicates Z: 14 18.372 1.974 0.554 0.919 1.000 0.538 CB 1.171 14 residues pruned to eliminate duplicates Z: 33 15.270 1.848 0.557 0.346 0.875 0.562 CA 1.267 42 residues pruned to eliminate duplicates Z: 68 31.464 1.965 0.423 0.599 0.940 0.642 CA 1.331 68 residues pruned to eliminate duplicates Z: 28 14.646 1.945 0.699 0.381 0.778 0.444 CB 1.246 28 residues pruned to eliminate duplicates Z: 42 25.086 1.976 0.550 0.504 0.902 0.561 CB 1.412 42 residues pruned to eliminate duplicates Z: 13 15.336 1.661 0.727 0.874 1.000 0.667 CA 1.123 13 residues pruned to eliminate duplicates Z: 82 42.858 2.046 0.730 0.499 0.901 0.593 CB 1.495 85 residues pruned to eliminate duplicates Z: 14 12.312 1.859 0.283 0.674 1.000 0.615 CB 1.220 14 residues pruned to eliminate duplicates Z: 14 23.848 2.197 0.502 0.906 1.000 0.923 CA 1.426 14 residues pruned to eliminate duplicates Z: 8 12.616 2.043 0.646 0.807 0.714 0.714 CA 1.520 8 residues pruned to eliminate duplicates Z: 13 9.541 1.568 0.552 0.888 1.000 0.750 CB 0.816 11 residues pruned to eliminate duplicates Z: 8 4.632 1.502 0.083 0.532 0.857 0.571 CB 1.216 8 residues pruned to eliminate duplicates Z: 13 17.771 2.006 0.578 0.848 0.917 0.500 CA 1.312 13 residues pruned to eliminate duplicates Z: 9 17.328 2.113 0.633 0.892 1.000 1.000 CB 1.276 9 residues pruned to eliminate duplicates Z: 20 16.920 2.008 0.683 0.377 0.895 0.526 CB 1.463 20 residues pruned to eliminate duplicates Z: 16 6.716 1.719 0.215 0.351 0.800 0.667 CB 1.219 16 residues pruned to eliminate duplicates Z: 35 23.696 2.024 0.659 0.494 0.912 0.706 CA 1.336 35 residues pruned to eliminate duplicates Z: 7 2.950 1.316 0.673 0.645 0.833 0.667 CB 0.573 Z: 10 7.055 1.702 0.708 0.373 0.778 0.333 CA 1.191 Z: 14 8.841 1.668 0.528 0.453 0.846 0.538 CB 1.193 14 residues pruned to eliminate duplicates Z: 25 19.400 1.967 0.668 0.594 0.917 0.750 CA 1.204 25 residues pruned to eliminate duplicates Z: 25 18.408 1.904 0.517 0.524 0.958 0.625 CA 1.325 25 residues pruned to eliminate duplicates Z: 6 3.558 1.726 0.025 0.762 0.800 0.800 CB 0.890 6 residues pruned to eliminate duplicates Z: 13 17.090 1.662 0.829 0.852 1.000 0.500 CB 1.200 13 residues pruned to eliminate duplicates Z: 9 5.651 1.542 0.245 0.589 0.875 0.625 CB 1.093 Z: 8 13.100 2.024 0.692 0.589 1.000 0.857 CA 1.328 8 residues pruned to eliminate duplicates Z: 10 16.015 1.917 0.585 0.874 1.000 1.000 CA 1.278 10 residues pruned to eliminate duplicates Z: 25 21.823 2.010 0.437 0.697 0.875 0.625 CA 1.473 25 residues pruned to eliminate duplicates Z: 10 13.237 2.063 0.690 0.378 1.000 0.778 CA 1.441 10 residues pruned to eliminate duplicates Z: 9 11.518 1.629 0.914 0.847 1.000 1.000 CA 0.969 9 residues pruned to eliminate duplicates Z: 6 5.689 2.190 -0.335 0.846 1.000 0.800 CB 1.297 6 residues pruned to eliminate duplicates Z: 6 10.515 1.899 0.653 0.676 1.000 0.800 CA 1.274 6 residues pruned to eliminate duplicates Z: 7 4.995 1.507 0.046 0.884 1.000 0.667 CA 0.935 7 residues pruned to eliminate duplicates Z: 10 14.533 1.901 0.691 0.824 0.889 0.444 CB 1.281 10 residues pruned to eliminate duplicates Z: 9 9.438 1.769 0.430 0.814 1.000 1.000 CB 1.003 9 residues pruned to eliminate duplicates Z: 28 16.846 1.822 0.391 0.554 0.889 0.556 CB 1.366 28 residues pruned to eliminate duplicates Z: 9 11.224 1.755 0.699 0.814 0.875 0.625 CA 1.158 9 residues pruned to eliminate duplicates Z: 37 24.058 1.973 0.648 0.518 0.917 0.556 CB 1.322 37 residues pruned to eliminate duplicates Z: 56 20.838 1.818 0.530 0.537 0.873 0.545 CB 1.116 53 residues pruned to eliminate duplicates Z: 9 19.616 2.021 0.972 0.874 1.000 0.750 CB 1.266 9 residues pruned to eliminate duplicates Z: 9 3.284 1.541 0.140 0.291 0.750 0.375 CA 1.115 9 residues pruned to eliminate duplicates Z: 6 3.549 1.697 0.174 0.236 1.000 0.600 CB 1.083 Z: 17 30.012 2.023 0.902 0.805 1.000 0.312 CA 1.494 17 residues pruned to eliminate duplicates Z: 35 19.571 1.997 0.467 0.519 0.882 0.559 CB 1.274 35 residues pruned to eliminate duplicates Z: 14 21.004 2.005 0.612 0.915 1.000 0.846 CA 1.273 14 residues pruned to eliminate duplicates Z: 19 13.129 1.650 0.319 0.646 1.000 0.833 CB 1.241 19 residues pruned to eliminate duplicates Z: 29 16.446 1.885 0.318 0.546 0.893 0.571 CB 1.339 29 residues pruned to eliminate duplicates Z: 35 19.803 2.028 0.572 0.513 0.882 0.529 CB 1.192 35 residues pruned to eliminate duplicates Z: 8 2.417 1.614 0.498 0.394 0.571 0.429 CB 0.740 8 residues pruned to eliminate duplicates Z: 41 28.435 2.016 0.613 0.557 0.900 0.500 CA 1.453 41 residues pruned to eliminate duplicates Z: 35 23.038 1.870 0.704 0.593 0.882 0.559 CB 1.286 41 residues pruned to eliminate duplicates Z: 26 24.024 2.113 0.523 0.498 1.000 0.800 CA 1.497 26 residues pruned to eliminate duplicates Z: 6 7.716 1.769 0.454 0.733 0.800 0.400 CA 1.360 6 residues pruned to eliminate duplicates Z: 12 9.023 1.733 0.348 0.854 0.818 0.727 CB 1.051 Z: 13 10.392 1.673 0.658 0.811 0.833 0.583 CB 0.990 25 residues pruned to eliminate duplicates Z: 20 13.632 1.936 0.526 0.496 0.895 0.526 CA 1.189 20 residues pruned to eliminate duplicates Z: 15 10.092 1.733 0.609 0.519 0.786 0.500 CB 1.208 15 residues pruned to eliminate duplicates Z: 14 16.741 1.798 0.832 0.728 0.846 0.538 CB 1.357 14 residues pruned to eliminate duplicates Z: 8 7.396 1.850 0.432 0.813 0.714 0.714 CA 1.125 8 residues pruned to eliminate duplicates Z: 7 6.443 1.460 0.595 0.513 1.000 0.500 O 1.115 Z: 53 28.755 2.041 0.589 0.436 0.885 0.538 CB 1.486 53 residues pruned to eliminate duplicates Z: 8 9.537 1.765 0.608 0.718 0.857 0.714 CA 1.216 8 residues pruned to eliminate duplicates Z: 8 5.180 1.492 0.196 0.444 1.000 0.571 N 1.163 8 residues pruned to eliminate duplicates Z: 33 25.745 2.021 0.820 0.512 0.875 0.438 CB 1.398 33 residues pruned to eliminate duplicates Z: 6 3.630 1.558 -0.075 0.666 0.800 0.600 CB 1.208 Z: 13 10.444 1.881 0.405 0.431 0.917 0.583 CB 1.337 13 residues pruned to eliminate duplicates Z: 12 6.253 1.767 0.616 0.403 0.636 0.364 CB 1.149 12 residues pruned to eliminate duplicates Z: 15 19.475 2.050 0.377 0.902 1.000 0.786 CA 1.315 15 residues pruned to eliminate duplicates Z: 11 23.781 1.954 1.073 0.920 1.000 0.900 CA 1.307 11 residues pruned to eliminate duplicates Z: 9 2.832 1.395 0.153 0.328 0.750 0.500 CB 1.003 Z: 6 7.715 1.678 0.852 0.808 1.000 0.800 CA 0.849 6 residues pruned to eliminate duplicates Z: 18 18.897 2.018 0.815 0.434 0.882 0.529 CA 1.518 18 residues pruned to eliminate duplicates Z: 16 29.215 2.175 0.619 0.898 1.000 0.733 CA 1.532 16 residues pruned to eliminate duplicates Z: 15 21.321 1.940 0.714 0.925 0.857 0.643 CA 1.403 15 residues pruned to eliminate duplicates Z: 8 3.195 1.282 0.711 0.214 0.857 0.429 CB 0.900 Z: 58 33.706 2.040 0.723 0.497 0.895 0.614 CB 1.424 58 residues pruned to eliminate duplicates Z: 12 17.379 1.652 0.889 0.875 1.000 0.818 C 1.222 12 residues pruned to eliminate duplicates Z: 12 13.956 1.907 0.084 0.909 1.000 1.000 CB 1.444 12 residues pruned to eliminate duplicates Z: 9 2.841 1.611 0.040 0.318 0.625 0.250 N 1.173 9 residues pruned to eliminate duplicates Z: 6 5.452 1.646 0.049 0.683 1.000 0.600 CB 1.194 6 residues pruned to eliminate duplicates Z: 8 4.627 1.639 0.240 0.312 0.857 0.286 CA 1.237 Z: 14 18.001 1.776 0.645 0.886 1.000 0.615 CA 1.233 14 residues pruned to eliminate duplicates Z: 11 9.523 1.825 0.860 0.449 0.800 0.600 CA 1.168 11 residues pruned to eliminate duplicates 6 0.354 1.459 0.719 0.290 0.600 0.200 CB 0.133 ? Z: 6 4.099 1.563 0.578 0.703 1.000 1.000 CB 0.617 Z: 37 11.841 1.740 0.382 0.428 0.806 0.500 CB 1.097 37 residues pruned to eliminate duplicates Z: 6 10.208 1.858 0.103 0.834 1.000 0.800 O 1.671 6 residues pruned to eliminate duplicates Z: 21 12.041 1.700 0.568 0.433 0.900 0.600 CA 1.203 21 residues pruned to eliminate duplicates Z: 15 8.875 1.622 0.621 0.524 0.857 0.714 CB 1.027 16 residues pruned to eliminate duplicates Z: 6 3.201 1.729 -0.141 0.817 1.000 1.000 CB 0.732 6 residues pruned to eliminate duplicates Z: 6 4.474 1.720 -0.080 0.653 0.800 0.800 N 1.372 Z: 27 24.654 1.985 0.989 0.451 0.885 0.538 CA 1.455 26 residues pruned to eliminate duplicates Z: 13 31.242 2.083 1.066 0.921 1.000 0.750 CA 1.475 13 residues pruned to eliminate duplicates Z: 13 18.065 1.979 0.859 0.843 0.833 0.333 CB 1.267 13 residues pruned to eliminate duplicates Z: 7 7.947 1.766 0.292 0.845 1.000 0.500 CB 1.058 7 residues pruned to eliminate duplicates Z: 35 23.530 2.080 0.538 0.460 0.912 0.706 CA 1.441 35 residues pruned to eliminate duplicates Z: 13 22.968 1.885 0.860 0.901 0.917 0.583 CB 1.473 13 residues pruned to eliminate duplicates Z: 32 25.787 2.032 0.517 0.587 0.903 0.548 CA 1.529 32 residues pruned to eliminate duplicates Z: 11 13.740 1.925 0.899 0.904 1.000 0.300 CB 0.847 12 residues pruned to eliminate duplicates Z: 35 26.172 1.948 0.699 0.545 0.853 0.471 CA 1.522 35 residues pruned to eliminate duplicates Z: 27 17.038 1.918 0.523 0.594 0.846 0.654 CB 1.236 27 residues pruned to eliminate duplicates Z: 17 10.030 1.863 0.473 0.369 0.875 0.562 CB 1.201 17 residues pruned to eliminate duplicates Z: 7 14.076 2.002 0.598 0.632 1.000 0.500 CB 1.586 7 residues pruned to eliminate duplicates Z: 7 5.126 1.661 0.736 0.620 0.833 0.333 CB 0.778 7 residues pruned to eliminate duplicates Z: 14 17.899 1.819 0.510 0.915 1.000 0.538 CB 1.278 14 residues pruned to eliminate duplicates Z: 22 16.055 1.856 0.721 0.655 0.952 0.667 CB 0.998 22 residues pruned to eliminate duplicates Z: 14 19.658 1.892 0.638 0.833 1.000 0.538 CA 1.319 14 residues pruned to eliminate duplicates Z: 13 19.332 1.825 0.552 0.884 1.000 0.583 CB 1.425 13 residues pruned to eliminate duplicates Z: 6 4.274 1.531 0.822 0.615 0.800 0.600 CB 0.768 Z: 46 25.365 1.951 0.519 0.522 0.911 0.533 CB 1.370 45 residues pruned to eliminate duplicates Z: 11 11.664 1.794 0.453 0.878 1.000 0.600 CB 1.027 11 residues pruned to eliminate duplicates Z: 7 7.994 1.538 0.678 0.749 0.833 0.667 CB 1.215 7 residues pruned to eliminate duplicates Z: 13 18.928 1.830 0.846 0.887 1.000 0.750 CA 1.166 13 residues pruned to eliminate duplicates Z: 10 2.837 1.493 0.406 0.340 0.778 0.222 CA 0.689 Z: 51 31.690 1.969 0.608 0.576 0.960 0.640 CB 1.370 51 residues pruned to eliminate duplicates Z: 6 2.345 1.260 0.110 0.405 1.000 0.400 CB 0.828 Z: 10 18.103 1.970 0.673 0.890 1.000 0.889 CA 1.317 10 residues pruned to eliminate duplicates Z: 16 25.736 2.140 0.585 0.885 1.000 0.800 CA 1.415 16 residues pruned to eliminate duplicates Z: 6 4.378 1.746 0.606 0.623 0.800 0.400 CB 0.777 6 residues pruned to eliminate duplicates Z: 6 9.445 1.891 1.045 0.749 0.800 0.400 CA 1.093 6 residues pruned to eliminate duplicates Z: 10 4.828 1.520 0.318 0.258 1.000 0.444 CB 1.059 10 residues pruned to eliminate duplicates Z: 11 16.656 1.774 0.629 0.922 1.000 0.900 CA 1.282 11 residues pruned to eliminate duplicates Z: 12 18.255 1.844 0.848 0.813 0.909 0.364 CA 1.353 12 residues pruned to eliminate duplicates Z: 9 10.808 1.702 0.437 0.808 1.000 0.500 CA 1.195 9 residues pruned to eliminate duplicates Z: 7 8.238 1.658 0.592 0.750 0.833 0.333 CB 1.223 7 residues pruned to eliminate duplicates Z: 9 2.605 1.403 0.004 0.362 0.750 0.375 CB 1.012 Z: 23 19.998 1.924 0.737 0.634 0.909 0.545 CA 1.237 23 residues pruned to eliminate duplicates Z: 11 11.036 1.783 0.552 0.435 1.000 0.800 CB 1.350 11 residues pruned to eliminate duplicates Z: 9 8.693 1.699 0.567 0.839 0.875 0.625 CA 0.986 9 residues pruned to eliminate duplicates Z: 28 21.793 1.937 0.497 0.572 0.963 0.630 CA 1.401 27 residues pruned to eliminate duplicates Z: 14 13.001 1.826 0.611 0.722 0.846 0.385 CA 1.186 14 residues pruned to eliminate duplicates Z: 15 23.346 2.024 0.519 0.913 1.000 1.000 CA 1.436 15 residues pruned to eliminate duplicates Z: 6 3.051 1.462 0.015 0.490 1.000 0.800 CA 0.929 6 residues pruned to eliminate duplicates Z: 6 9.181 1.883 0.548 0.716 1.000 0.600 CA 1.159 6 residues pruned to eliminate duplicates Z: 21 28.486 2.036 0.786 0.752 1.000 0.750 CA 1.399 21 residues pruned to eliminate duplicates Z: 11 4.382 1.441 0.292 0.468 1.000 0.800 CB 0.769 Z: 10 15.670 1.906 0.781 0.893 1.000 1.000 CB 1.104 10 residues pruned to eliminate duplicates Z: 16 24.372 2.174 0.704 0.879 0.933 0.733 CA 1.321 16 residues pruned to eliminate duplicates Z: 15 14.189 1.650 0.599 0.874 0.929 0.643 CB 1.127 14 residues pruned to eliminate duplicates 6 1.619 1.274 -0.076 0.446 0.800 0.400 CB 0.812 ? Z: 9 5.407 1.711 0.188 0.508 0.750 0.625 CB 1.245 Z: 14 15.779 1.742 0.725 0.892 0.923 0.769 CB 1.134 13 residues pruned to eliminate duplicates Z: 9 7.086 1.795 0.474 0.506 0.875 0.750 CA 1.076 9 residues pruned to eliminate duplicates Z: 7 4.266 1.635 -0.161 0.538 1.000 0.500 CB 1.223 Z: 7 3.385 1.261 0.340 0.454 0.833 0.500 C 1.028 Z: 13 23.173 1.935 0.906 0.890 1.000 0.833 CA 1.305 13 residues pruned to eliminate duplicates Z: 9 17.776 2.093 0.774 0.898 1.000 1.000 CB 1.211 9 residues pruned to eliminate duplicates Z: 6 3.114 1.670 0.419 0.422 0.600 0.400 CB 1.062 6 residues pruned to eliminate duplicates Z: 48 23.481 1.924 0.517 0.517 0.872 0.511 CB 1.323 48 residues pruned to eliminate duplicates Z: 26 23.027 2.029 0.702 0.615 0.920 0.640 CA 1.300 26 residues pruned to eliminate duplicates Z: 10 7.067 1.651 0.170 0.594 0.889 0.556 CA 1.254 Z: 11 20.307 2.067 0.726 0.905 0.900 0.200 CA 1.424 11 residues pruned to eliminate duplicates Z: 14 19.810 1.987 0.486 0.876 1.000 0.615 CB 1.353 14 residues pruned to eliminate duplicates Z: 7 5.031 1.697 0.621 0.606 0.667 0.500 CB 1.013 7 residues pruned to eliminate duplicates Z: 62 35.986 2.029 0.586 0.660 0.902 0.672 CB 1.369 62 residues pruned to eliminate duplicates Z: 40 28.176 2.008 0.676 0.485 0.949 0.615 CA 1.434 40 residues pruned to eliminate duplicates Z: 11 6.433 1.557 0.407 0.619 0.800 0.400 CB 1.037 10 residues pruned to eliminate duplicates Z: 12 16.639 1.876 0.707 0.914 1.000 0.818 CB 1.108 12 residues pruned to eliminate duplicates Z: 16 10.103 1.930 0.704 0.381 0.733 0.400 CA 1.228 16 residues pruned to eliminate duplicates Z: 6 4.467 1.600 0.154 0.606 1.000 0.600 CA 0.979 6 residues pruned to eliminate duplicates Z: 12 9.529 1.693 0.384 0.854 1.000 0.727 CA 0.906 12 residues pruned to eliminate duplicates Z: 13 9.238 1.619 0.448 0.801 0.917 0.417 CB 0.954 13 residues pruned to eliminate duplicates Z: 37 27.177 2.008 0.836 0.579 0.833 0.444 CB 1.367 37 residues pruned to eliminate duplicates Z: 8 6.855 1.755 0.509 0.450 0.857 0.429 CA 1.202 8 residues pruned to eliminate duplicates Z: 8 14.625 1.896 0.520 0.859 1.000 0.714 CB 1.411 8 residues pruned to eliminate duplicates Z: 7 4.193 1.335 0.600 0.391 0.833 0.333 O 1.079 Z: 14 15.201 1.724 0.806 0.845 0.923 0.462 CB 1.091 13 residues pruned to eliminate duplicates Z: 15 19.127 1.971 0.762 0.656 0.929 0.714 CA 1.372 15 residues pruned to eliminate duplicates Z: 16 24.402 2.065 0.577 0.848 1.000 0.533 CA 1.436 16 residues pruned to eliminate duplicates Z: 7 8.061 1.735 0.360 0.529 1.000 0.333 CA 1.356 7 residues pruned to eliminate duplicates Z: 12 8.881 1.758 0.199 0.862 1.000 0.909 CA 0.933 12 residues pruned to eliminate duplicates Z: 59 20.584 1.774 0.462 0.430 0.948 0.569 CB 1.181 49 residues pruned to eliminate duplicates Z: 11 8.447 1.705 0.192 0.890 0.800 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 23 6.797 1.613 0.236 0.368 0.773 0.364 CB 1.083 13 residues pruned to eliminate duplicates Z: 15 19.582 1.714 1.012 0.860 0.857 0.429 CA 1.302 15 residues pruned to eliminate duplicates Z: 42 28.250 1.972 0.716 0.603 0.829 0.463 CB 1.426 42 residues pruned to eliminate duplicates Z: 13 13.202 1.631 0.568 0.869 1.000 0.667 CB 1.088 13 residues pruned to eliminate duplicates Z: 6 3.664 1.365 0.332 0.731 0.800 0.800 CA 0.915 Z: 11 4.459 1.353 0.470 0.413 0.900 0.600 CB 0.863 11 residues pruned to eliminate duplicates Z: 16 5.798 1.666 0.366 0.287 0.867 0.533 CB 0.964 16 residues pruned to eliminate duplicates Z: 7 8.765 2.028 -0.073 0.843 1.000 1.000 CA 1.417 7 residues pruned to eliminate duplicates Z: 41 23.267 1.831 0.594 0.669 0.900 0.700 CB 1.198 41 residues pruned to eliminate duplicates 6 1.085 1.490 1.023 0.308 0.800 0.600 CB 0.249 ? Z: 55 31.531 2.024 0.800 0.550 0.833 0.370 CB 1.346 55 residues pruned to eliminate duplicates Z: 17 9.179 1.757 0.450 0.400 0.812 0.562 CB 1.231 17 residues pruned to eliminate duplicates Z: 28 8.456 1.664 0.299 0.343 0.815 0.370 CB 1.095 28 residues pruned to eliminate duplicates Z: 7 10.666 1.821 0.671 0.878 0.833 0.667 CB 1.246 7 residues pruned to eliminate duplicates Z: 33 31.423 2.039 0.880 0.584 0.969 0.500 CB 1.380 33 residues pruned to eliminate duplicates Z: 7 16.956 2.196 0.944 0.881 1.000 0.833 CB 1.174 7 residues pruned to eliminate duplicates Z: 6 6.981 1.783 0.425 0.827 1.000 0.800 CA 0.926 6 residues pruned to eliminate duplicates Z: 13 14.053 1.725 0.514 0.862 1.000 0.833 CB 1.141 13 residues pruned to eliminate duplicates Z: 19 23.672 2.005 0.873 0.622 0.944 0.556 CA 1.403 19 residues pruned to eliminate duplicates Z: 11 15.926 1.958 0.967 0.921 0.900 0.900 CB 1.022 11 residues pruned to eliminate duplicates 6 0.792 1.538 -0.114 0.243 0.600 0.000 CB 0.584 ? Z: 13 14.133 2.002 0.617 0.379 1.000 0.583 CB 1.435 13 residues pruned to eliminate duplicates Z: 14 8.654 1.930 0.381 0.354 0.923 0.538 CB 1.143 14 residues pruned to eliminate duplicates Z: 31 17.511 1.889 0.494 0.412 0.900 0.600 CB 1.381 31 residues pruned to eliminate duplicates Z: 10 10.618 1.768 0.461 0.816 0.889 0.778 CB 1.171 10 residues pruned to eliminate duplicates Z: 10 12.837 1.907 0.532 0.821 0.889 0.778 CA 1.247 10 residues pruned to eliminate duplicates Z: 14 20.728 1.806 0.615 0.917 1.000 0.846 CA 1.390 14 residues pruned to eliminate duplicates Z: 13 5.758 1.889 0.160 0.292 0.833 0.333 CB 1.149 14 residues pruned to eliminate duplicates Z: 6 4.701 1.663 0.652 0.394 0.800 0.600 CB 1.070 6 0.938 1.397 0.181 0.298 0.600 0.400 CB 0.531 ? Z: 25 12.789 1.695 0.465 0.621 0.875 0.500 CB 1.072 25 residues pruned to eliminate duplicates Z: 6 4.760 1.474 0.473 0.686 0.800 0.600 CA 1.033 6 residues pruned to eliminate duplicates Z: 7 7.080 1.801 0.265 0.756 1.000 0.667 CB 1.010 7 residues pruned to eliminate duplicates Z: 8 12.063 1.864 0.519 0.703 0.857 0.429 CB 1.561 8 residues pruned to eliminate duplicates Z: 14 18.160 1.966 0.564 0.884 1.000 0.769 CA 1.184 14 residues pruned to eliminate duplicates Z: 6 2.165 1.539 0.211 0.309 0.600 0.400 C 1.070 6 residues pruned to eliminate duplicates Z: 6 8.245 1.806 0.537 0.838 1.000 0.800 CA 0.993 Z: 12 10.300 1.606 0.287 0.896 1.000 0.818 CA 1.076 12 residues pruned to eliminate duplicates Z: 8 8.907 1.749 0.644 0.907 0.857 0.714 CA 0.971 8 residues pruned to eliminate duplicates Z: 13 20.709 1.949 0.663 0.849 0.917 0.500 CB 1.491 13 residues pruned to eliminate duplicates Z: 11 16.549 2.037 0.473 0.845 1.000 0.600 CA 1.296 11 residues pruned to eliminate duplicates Z: 55 40.251 2.091 0.739 0.616 0.944 0.630 CB 1.430 55 residues pruned to eliminate duplicates Z: 7 3.589 1.230 0.301 0.548 0.833 0.500 C 1.048 Z: 18 21.156 2.084 0.729 0.676 0.941 0.471 CB 1.286 18 residues pruned to eliminate duplicates Z: 13 7.352 1.553 0.390 0.823 1.000 0.583 CB 0.743 13 residues pruned to eliminate duplicates Z: 6 2.082 1.275 0.217 0.289 1.000 0.600 O 0.761 Z: 7 6.609 1.583 0.489 0.696 1.000 0.667 CA 0.957 7 residues pruned to eliminate duplicates Z: 6 5.432 1.647 0.290 0.686 0.800 0.800 CB 1.205 6 residues pruned to eliminate duplicates Z: 16 20.927 2.167 0.544 0.890 0.933 0.867 CA 1.244 16 residues pruned to eliminate duplicates Z: 7 2.663 1.280 0.824 0.450 0.667 0.333 CB 0.735 Z: 10 8.785 1.787 0.422 0.438 0.889 0.444 CA 1.383 10 residues pruned to eliminate duplicates Z: 16 12.914 1.840 0.315 0.670 0.933 0.733 CB 1.261 15 residues pruned to eliminate duplicates Z: 30 25.897 2.058 0.668 0.599 0.931 0.517 CB 1.368 30 residues pruned to eliminate duplicates Z: 12 9.593 1.669 0.498 0.494 1.000 0.636 CB 1.163 12 residues pruned to eliminate duplicates Z: 64 25.946 1.915 0.666 0.465 0.873 0.492 CB 1.217 64 residues pruned to eliminate duplicates Z: 21 12.836 1.819 0.302 0.484 0.950 0.450 CB 1.296 21 residues pruned to eliminate duplicates Z: 13 9.575 1.669 0.536 0.883 0.917 0.583 CB 0.850 13 residues pruned to eliminate duplicates Z: 8 6.329 1.643 0.548 0.437 1.000 0.714 CB 1.004 8 residues pruned to eliminate duplicates Z: 36 24.391 1.816 0.554 0.663 1.000 0.714 CB 1.256 36 residues pruned to eliminate duplicates Z: 7 4.284 1.379 0.469 0.521 0.833 0.167 CB 1.016 Z: 30 16.732 1.840 0.591 0.555 0.862 0.552 CB 1.167 30 residues pruned to eliminate duplicates Z: 63 31.714 2.066 0.570 0.455 0.919 0.645 CB 1.414 63 residues pruned to eliminate duplicates Z: 20 21.761 1.982 0.599 0.703 1.000 0.789 CA 1.309 20 residues pruned to eliminate duplicates Z: 47 26.508 1.899 0.785 0.408 0.891 0.587 CA 1.425 47 residues pruned to eliminate duplicates Z: 55 35.976 2.035 0.771 0.458 0.944 0.556 CA 1.501 56 residues pruned to eliminate duplicates Z: 17 10.127 1.719 0.504 0.378 0.875 0.625 CA 1.276 17 residues pruned to eliminate duplicates Z: 13 21.889 1.952 1.227 0.614 0.833 0.500 CA 1.566 13 residues pruned to eliminate duplicates Z: 6 2.910 1.522 0.067 0.491 0.800 0.600 CB 1.011 Z: 6 11.505 1.808 0.741 0.797 1.000 0.800 CA 1.261 8 residues pruned to eliminate duplicates Z: 28 11.534 1.649 0.178 0.585 0.889 0.741 CA 1.185 28 residues pruned to eliminate duplicates Z: 15 12.438 1.866 0.495 0.386 1.000 0.857 CA 1.344 15 residues pruned to eliminate duplicates Z: 6 6.250 1.532 0.549 0.831 0.800 0.800 CB 1.107 6 residues pruned to eliminate duplicates Z: 53 33.367 1.937 0.789 0.576 0.904 0.538 CB 1.373 53 residues pruned to eliminate duplicates Z: 6 8.046 1.779 0.171 0.714 1.000 0.800 CB 1.422 6 residues pruned to eliminate duplicates Z: 12 19.567 1.944 0.860 0.790 0.909 0.636 CA 1.391 12 residues pruned to eliminate duplicates Z: 14 11.675 1.652 0.616 0.853 0.923 0.615 CB 0.971 14 residues pruned to eliminate duplicates Z: 8 6.199 1.602 0.102 0.632 1.000 0.143 CA 1.172 8 residues pruned to eliminate duplicates Z: 12 7.268 1.680 0.455 0.359 0.818 0.545 CA 1.275 12 residues pruned to eliminate duplicates Z: 22 21.428 1.874 0.846 0.598 0.905 0.571 CA 1.360 22 residues pruned to eliminate duplicates Z: 6 2.464 1.169 0.166 0.605 0.800 0.400 O 0.914 6 residues pruned to eliminate duplicates Z: 6 3.499 1.514 0.297 0.517 0.800 0.600 N 0.979 Z: 13 13.602 1.638 0.694 0.903 1.000 0.833 CA 1.008 13 residues pruned to eliminate duplicates Z: 14 12.542 1.986 0.598 0.304 0.923 0.692 CB 1.476 15 residues pruned to eliminate duplicates Z: 17 7.482 1.768 0.375 0.301 0.938 0.500 CB 1.024 17 residues pruned to eliminate duplicates Z: 6 2.159 1.591 -0.318 0.691 0.800 0.800 N 0.934 Z: 34 19.560 2.015 0.519 0.499 0.909 0.697 CA 1.226 34 residues pruned to eliminate duplicates Z: 7 12.658 2.008 0.660 0.659 0.833 0.667 CB 1.606 7 residues pruned to eliminate duplicates Z: 12 16.971 2.011 0.552 0.864 0.909 0.636 CA 1.323 12 residues pruned to eliminate duplicates Z: 44 24.525 1.983 0.650 0.488 0.884 0.605 CB 1.309 44 residues pruned to eliminate duplicates Z: 16 19.826 2.117 0.626 0.875 0.933 0.800 CA 1.159 16 residues pruned to eliminate duplicates Z: 8 3.041 1.398 -0.007 0.285 0.857 0.429 CA 1.230 Z: 7 16.898 2.067 0.702 0.675 1.000 0.667 CA 1.669 7 residues pruned to eliminate duplicates Z: 19 17.841 1.892 0.473 0.589 0.944 0.500 CB 1.467 19 residues pruned to eliminate duplicates Z: 11 3.985 1.638 0.544 0.289 0.700 0.300 CB 0.903 10 residues pruned to eliminate duplicates Z: 15 19.224 2.060 0.407 0.908 1.000 0.857 CA 1.259 15 residues pruned to eliminate duplicates Z: 9 3.628 1.570 -0.073 0.539 0.875 0.500 CB 0.969 8 residues pruned to eliminate duplicates Z: 43 15.529 1.857 0.453 0.376 0.786 0.452 CB 1.289 43 residues pruned to eliminate duplicates Z: 9 7.821 1.813 0.387 0.510 0.875 0.750 CA 1.244 9 residues pruned to eliminate duplicates Z: 51 17.908 1.739 0.669 0.541 0.840 0.540 CB 0.998 45 residues pruned to eliminate duplicates 7 1.807 1.269 -0.093 0.322 0.833 0.500 N 0.935 ? Z: 13 8.368 1.737 0.505 0.321 0.917 0.500 CB 1.228 13 residues pruned to eliminate duplicates Z: 14 32.786 2.116 0.807 0.926 1.000 0.385 CA 1.668 14 residues pruned to eliminate duplicates Z: 39 23.554 1.941 0.622 0.518 0.947 0.553 CA 1.258 39 residues pruned to eliminate duplicates Z: 6 7.012 1.731 0.505 0.876 0.800 0.800 CB 1.093 6 residues pruned to eliminate duplicates Z: 12 16.906 1.919 0.387 0.865 1.000 0.727 CB 1.404 12 residues pruned to eliminate duplicates Z: 8 6.808 1.743 0.281 0.665 0.857 0.857 CB 1.154 5 residues pruned to eliminate duplicates Z: 6 2.563 1.128 0.198 0.489 1.000 0.600 O 0.858 Z: 31 18.693 1.928 0.533 0.530 0.900 0.600 CA 1.246 31 residues pruned to eliminate duplicates Z: 22 14.490 1.789 0.543 0.429 1.000 0.667 CB 1.233 22 residues pruned to eliminate duplicates Z: 7 2.594 1.324 0.353 0.387 0.833 0.500 N 0.800 Z: 111 49.378 2.015 0.694 0.558 0.882 0.564 CA 1.479 111 residues pruned to eliminate duplicates Z: 21 14.498 1.730 0.771 0.415 0.900 0.550 CB 1.285 21 residues pruned to eliminate duplicates Z: 6 3.601 1.252 0.270 0.774 1.000 0.800 CB 0.795 Z: 11 5.642 1.780 0.609 0.439 0.800 0.600 CB 0.829 11 residues pruned to eliminate duplicates Z: 14 3.925 1.475 0.272 0.256 0.769 0.538 CB 0.999 Z: 35 28.106 2.030 0.701 0.543 0.912 0.706 CA 1.468 35 residues pruned to eliminate duplicates Z: 9 7.328 1.876 0.573 0.539 0.875 0.750 CA 0.966 9 residues pruned to eliminate duplicates Z: 7 2.776 1.290 0.537 0.162 0.833 0.333 CB 1.036 Z: 49 20.648 1.892 0.501 0.446 0.875 0.417 CB 1.268 49 residues pruned to eliminate duplicates Z: 26 20.809 2.076 0.707 0.566 0.840 0.520 CB 1.312 26 residues pruned to eliminate duplicates Z: 7 9.186 1.734 0.657 0.800 0.833 0.833 CB 1.205 7 residues pruned to eliminate duplicates Z: 14 13.699 1.740 0.414 0.722 1.000 0.769 CA 1.263 14 residues pruned to eliminate duplicates Z: 10 3.242 1.523 -0.056 0.487 1.000 0.556 CB 0.762 Z: 12 17.163 2.117 0.215 0.835 1.000 0.636 CA 1.507 12 residues pruned to eliminate duplicates Z: 17 29.068 1.894 0.811 0.878 1.000 0.625 CA 1.538 17 residues pruned to eliminate duplicates Z: 11 8.775 1.774 0.584 0.470 0.900 0.600 CA 1.131 11 residues pruned to eliminate duplicates Z: 6 2.358 1.706 -0.060 0.297 0.600 0.400 CB 1.377 4 residues pruned to eliminate duplicates Z: 18 9.086 1.790 0.309 0.338 0.941 0.588 CB 1.193 18 residues pruned to eliminate duplicates Z: 24 27.328 2.075 0.662 0.674 0.957 0.652 CA 1.472 24 residues pruned to eliminate duplicates Z: 19 12.350 1.749 0.658 0.492 0.889 0.667 CB 1.139 19 residues pruned to eliminate duplicates Z: 10 17.913 1.865 1.033 0.843 0.889 0.889 CA 1.319 10 residues pruned to eliminate duplicates Z: 12 4.476 1.646 0.245 0.150 0.818 0.182 CB 1.239 12 residues pruned to eliminate duplicates Z: 28 24.618 1.887 0.941 0.533 0.889 0.444 CA 1.409 28 residues pruned to eliminate duplicates Z: 9 13.720 2.005 0.515 0.896 1.000 1.000 CB 1.144 9 residues pruned to eliminate duplicates Z: 9 11.475 1.835 0.642 0.815 1.000 0.875 CB 1.024 9 residues pruned to eliminate duplicates Z: 54 33.542 2.061 0.602 0.567 0.925 0.547 CB 1.415 54 residues pruned to eliminate duplicates Z: 20 8.867 1.741 0.401 0.370 0.684 0.474 CB 1.402 20 residues pruned to eliminate duplicates Z: 22 13.857 1.934 0.190 0.607 0.952 0.667 CA 1.247 25 residues pruned to eliminate duplicates Z: 14 12.947 1.874 0.841 0.589 0.846 0.385 CA 1.130 14 residues pruned to eliminate duplicates Z: 35 23.913 1.936 0.756 0.555 0.912 0.500 CB 1.254 35 residues pruned to eliminate duplicates Z: 17 23.211 1.907 0.837 0.846 0.875 0.500 CA 1.407 17 residues pruned to eliminate duplicates Z: 7 3.956 1.759 -0.228 0.823 1.000 0.667 CB 0.900 7 residues pruned to eliminate duplicates Z: 25 20.135 1.938 0.811 0.508 0.875 0.625 CA 1.328 25 residues pruned to eliminate duplicates Z: 15 11.955 1.823 0.361 0.546 0.929 0.857 CB 1.326 15 residues pruned to eliminate duplicates Z: 46 24.095 1.886 0.419 0.580 0.956 0.689 CB 1.300 46 residues pruned to eliminate duplicates Z: 19 12.788 1.858 0.385 0.502 0.833 0.611 CB 1.403 19 residues pruned to eliminate duplicates Z: 11 13.519 1.698 1.015 0.760 0.900 0.400 CB 1.101 11 residues pruned to eliminate duplicates Z: 7 2.030 1.503 -0.066 0.226 0.833 0.333 CB 0.975 Z: 15 16.231 1.849 0.638 0.823 1.000 0.786 CA 1.083 15 residues pruned to eliminate duplicates Z: 33 23.329 1.993 0.599 0.580 0.875 0.688 CB 1.370 33 residues pruned to eliminate duplicates Z: 6 5.322 1.911 0.442 0.740 1.000 0.600 CB 0.696 6 residues pruned to eliminate duplicates 8 1.754 1.368 0.629 0.354 0.429 0.429 CB 0.813 ? Z: 15 13.785 1.731 0.588 0.766 0.857 0.571 CB 1.235 15 residues pruned to eliminate duplicates 6 1.531 1.451 0.258 0.143 0.600 0.200 CB 0.973 ? Z: 11 10.545 1.806 0.567 0.385 1.000 0.800 CA 1.332 11 residues pruned to eliminate duplicates Z: 9 12.387 1.954 0.564 0.372 1.000 0.750 CA 1.644 9 residues pruned to eliminate duplicates Z: 17 15.027 1.829 0.655 0.698 0.812 0.625 CA 1.274 17 residues pruned to eliminate duplicates Z: 9 4.828 1.536 0.277 0.611 0.875 0.375 CB 0.895 9 residues pruned to eliminate duplicates Z: 6 6.702 1.566 0.381 0.812 1.000 0.800 N 1.056 Z: 26 10.815 1.779 0.374 0.384 0.960 0.560 CB 1.043 26 residues pruned to eliminate duplicates Z: 6 5.256 1.611 0.245 0.618 1.000 0.800 CB 1.048 6 residues pruned to eliminate duplicates Z: 12 12.608 1.631 0.783 0.891 1.000 0.636 CB 0.940 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 11.912 1.820 0.371 0.668 0.889 0.889 CA 1.533 10 residues pruned to eliminate duplicates Z: 14 10.848 1.731 0.292 0.452 1.000 0.615 CB 1.415 14 residues pruned to eliminate duplicates Z: 23 8.682 1.670 0.271 0.371 0.864 0.500 CB 1.159 23 residues pruned to eliminate duplicates Z: 15 8.093 1.745 0.236 0.420 0.786 0.429 CB 1.387 15 residues pruned to eliminate duplicates Z: 15 6.980 1.787 0.515 0.298 0.714 0.429 CB 1.208 20 residues pruned to eliminate duplicates Z: 7 7.830 1.531 1.024 0.555 0.833 0.667 CA 1.174 7 residues pruned to eliminate duplicates Z: 10 5.826 1.775 0.901 0.259 0.667 0.111 CA 1.137 10 residues pruned to eliminate duplicates Z: 7 3.279 1.386 0.358 0.471 0.833 0.333 N 0.879 5 residues pruned to eliminate duplicates Z: 8 6.987 1.772 0.843 0.437 0.714 0.286 CA 1.208 8 residues pruned to eliminate duplicates Z: 17 7.303 1.824 0.596 0.306 0.688 0.250 CB 1.133 13 residues pruned to eliminate duplicates Z: 7 9.529 1.862 0.659 0.803 1.000 0.333 CA 0.966 6 residues pruned to eliminate duplicates Z: 7 8.597 1.848 0.679 0.759 1.000 0.500 CA 0.898 7 residues pruned to eliminate duplicates Z: 7 9.331 1.874 0.665 0.757 1.000 0.500 CA 0.972 7 residues pruned to eliminate duplicates Z: 7 7.804 1.766 0.858 0.716 1.000 0.500 CA 0.799 7 residues pruned to eliminate duplicates Z: 6 6.872 1.833 0.622 0.625 1.000 0.400 CB 0.919 6 residues pruned to eliminate duplicates Z: 8 7.848 1.798 0.691 0.669 1.000 0.714 CA 0.835 7 residues pruned to eliminate duplicates Z: 6 3.606 1.350 0.493 0.368 1.000 0.400 O 0.922 6 residues pruned to eliminate duplicates Z: 9 8.401 1.732 0.338 0.712 0.875 0.875 CB 1.209 16 residues pruned to eliminate duplicates Z: 10 5.678 1.563 0.072 0.527 1.000 0.667 CB 1.101 10 residues pruned to eliminate duplicates Z: 8 3.796 1.566 0.018 0.508 1.000 0.714 N 0.893 8 residues pruned to eliminate duplicates Z: 8 7.200 1.758 0.058 0.627 1.000 0.571 CB 1.299 9 residues pruned to eliminate duplicates Z: 11 12.539 1.819 0.570 0.601 1.000 0.500 CB 1.262 11 residues pruned to eliminate duplicates Z: 9 12.410 2.059 0.727 0.644 0.875 0.875 CA 1.232 9 residues pruned to eliminate duplicates Z: 8 8.871 1.788 0.383 0.795 1.000 0.571 CA 1.047 8 residues pruned to eliminate duplicates Z: 9 13.323 2.084 0.442 0.675 1.000 0.750 CA 1.335 9 residues pruned to eliminate duplicates Z: 11 13.485 1.989 0.251 0.743 1.000 0.700 CA 1.378 11 residues pruned to eliminate duplicates Z: 12 10.507 1.944 0.270 0.597 1.000 0.636 CA 1.170 12 residues pruned to eliminate duplicates Z: 11 12.713 2.000 0.281 0.656 1.000 0.600 CA 1.357 11 residues pruned to eliminate duplicates Z: 11 12.668 1.917 0.459 0.677 1.000 0.400 CB 1.218 11 residues pruned to eliminate duplicates Z: 9 8.679 1.633 0.534 0.518 1.000 0.375 CA 1.203 9 residues pruned to eliminate duplicates Z: 8 3.826 1.873 0.425 0.156 0.714 0.286 CA 1.157 8 residues pruned to eliminate duplicates Z: 27 12.702 1.832 0.522 0.422 0.846 0.462 CB 1.145 28 residues pruned to eliminate duplicates Z: 6 4.047 1.621 0.552 0.383 0.600 0.000 CA 1.358 6 residues pruned to eliminate duplicates Z: 10 4.100 1.766 0.690 0.152 0.667 0.111 CB 1.054 10 residues pruned to eliminate duplicates Z: 43 19.667 1.825 0.527 0.504 0.929 0.667 CB 1.168 43 residues pruned to eliminate duplicates Z: 44 18.022 1.809 0.574 0.504 0.860 0.512 CB 1.117 44 residues pruned to eliminate duplicates Z: 36 20.554 1.854 0.726 0.483 0.914 0.486 CB 1.208 36 residues pruned to eliminate duplicates Z: 15 5.895 1.705 0.427 0.211 0.857 0.214 CB 1.062 15 residues pruned to eliminate duplicates Z: 16 3.652 1.698 0.235 0.222 0.533 0.267 CB 1.168 16 residues pruned to eliminate duplicates Z: 12 8.441 1.844 0.486 0.366 0.818 0.364 CA 1.310 12 residues pruned to eliminate duplicates Z: 24 18.393 1.897 0.571 0.627 0.870 0.609 CB 1.312 24 residues pruned to eliminate duplicates Z: 29 12.904 1.754 0.710 0.463 0.786 0.357 CB 1.075 29 residues pruned to eliminate duplicates Z: 24 24.602 1.914 0.791 0.682 0.957 0.739 CB 1.324 24 residues pruned to eliminate duplicates Z: 37 24.723 1.888 0.541 0.627 0.944 0.611 CB 1.331 37 residues pruned to eliminate duplicates Z: 21 20.620 1.899 0.643 0.688 0.950 0.600 CB 1.310 21 residues pruned to eliminate duplicates Z: 40 27.228 1.875 0.687 0.614 0.949 0.667 CB 1.304 40 residues pruned to eliminate duplicates Z: 24 20.017 1.917 0.642 0.652 0.913 0.522 CB 1.261 24 residues pruned to eliminate duplicates Z: 41 27.390 1.925 0.516 0.625 0.950 0.725 CA 1.389 41 residues pruned to eliminate duplicates Z: 27 11.808 1.787 0.548 0.527 0.731 0.538 CB 1.116 27 residues pruned to eliminate duplicates Z: 20 22.393 1.912 0.829 0.665 0.947 0.737 CB 1.331 20 residues pruned to eliminate duplicates Z: 21 23.494 1.896 0.918 0.653 1.000 0.450 CA 1.254 21 residues pruned to eliminate duplicates Z: 24 24.301 1.918 0.834 0.673 0.957 0.565 CB 1.283 24 residues pruned to eliminate duplicates Z: 26 21.142 1.889 0.729 0.595 0.920 0.560 CB 1.285 26 residues pruned to eliminate duplicates Z: 25 20.750 1.917 0.718 0.624 0.875 0.583 CB 1.307 25 residues pruned to eliminate duplicates Z: 49 26.372 1.879 0.572 0.567 0.917 0.562 CB 1.318 49 residues pruned to eliminate duplicates Z: 12 11.425 1.948 0.615 0.404 0.909 0.455 CA 1.331 12 residues pruned to eliminate duplicates Z: 24 17.344 1.843 0.774 0.578 0.913 0.435 CB 1.124 24 residues pruned to eliminate duplicates Z: 37 29.941 1.916 0.711 0.651 0.944 0.556 CA 1.401 37 residues pruned to eliminate duplicates Z: 50 24.207 1.919 0.444 0.473 0.980 0.633 CA 1.309 50 residues pruned to eliminate duplicates Z: 53 25.775 1.876 0.629 0.512 0.865 0.538 CB 1.336 53 residues pruned to eliminate duplicates Z: 46 26.291 1.841 0.627 0.590 0.933 0.600 CB 1.286 46 residues pruned to eliminate duplicates Z: 60 24.393 1.812 0.578 0.530 0.864 0.508 CB 1.248 60 residues pruned to eliminate duplicates Z: 72 22.812 1.807 0.596 0.462 0.817 0.465 CB 1.195 72 residues pruned to eliminate duplicates Z: 57 23.028 1.806 0.711 0.476 0.893 0.464 CB 1.143 57 residues pruned to eliminate duplicates Z: 72 25.883 1.803 0.600 0.528 0.901 0.535 CB 1.149 72 residues pruned to eliminate duplicates Z: 65 28.206 1.881 0.630 0.488 0.891 0.500 CB 1.307 65 residues pruned to eliminate duplicates Z: 39 26.537 1.886 0.619 0.628 0.921 0.684 CB 1.357 39 residues pruned to eliminate duplicates Z: 38 28.730 1.898 0.649 0.663 0.973 0.676 CB 1.334 38 residues pruned to eliminate duplicates Z: 43 26.504 1.886 0.617 0.609 0.905 0.619 CB 1.336 43 residues pruned to eliminate duplicates Z: 52 25.913 1.823 0.689 0.560 0.863 0.451 CB 1.289 52 residues pruned to eliminate duplicates Z: 38 28.772 1.909 0.634 0.635 0.946 0.703 CB 1.413 38 residues pruned to eliminate duplicates Z: 51 29.799 1.850 0.666 0.585 0.920 0.580 CB 1.370 51 residues pruned to eliminate duplicates Z: 42 28.265 1.882 0.727 0.624 0.927 0.463 CB 1.304 42 residues pruned to eliminate duplicates Z: 38 27.582 1.900 0.751 0.605 0.892 0.730 CB 1.382 38 residues pruned to eliminate duplicates Z: 45 25.711 1.848 0.709 0.591 0.864 0.500 CB 1.303 45 residues pruned to eliminate duplicates Z: 43 24.817 1.882 0.739 0.605 0.810 0.595 CB 1.307 43 residues pruned to eliminate duplicates Z: 50 24.266 1.868 0.623 0.544 0.837 0.551 CB 1.309 50 residues pruned to eliminate duplicates Z: 71 28.788 1.841 0.676 0.552 0.871 0.614 CB 1.216 71 residues pruned to eliminate duplicates Z: 14 17.780 1.881 0.608 0.843 0.846 0.462 CB 1.434 14 residues pruned to eliminate duplicates Z: 51 26.951 1.933 0.499 0.595 0.960 0.700 CA 1.251 51 residues pruned to eliminate duplicates Z: 26 14.410 1.900 0.227 0.587 0.960 0.760 CA 1.185 26 residues pruned to eliminate duplicates Z: 25 16.511 1.969 0.255 0.600 0.958 0.667 CA 1.294 25 residues pruned to eliminate duplicates Z: 26 17.232 1.978 0.339 0.601 0.960 0.760 CA 1.231 26 residues pruned to eliminate duplicates Z: 24 13.417 1.886 0.375 0.404 0.957 0.565 CA 1.248 24 residues pruned to eliminate duplicates Z: 9 5.841 1.656 0.303 0.420 1.000 0.625 CB 1.040 9 residues pruned to eliminate duplicates Z: 25 18.163 1.994 0.355 0.616 0.958 0.667 CA 1.283 25 residues pruned to eliminate duplicates Z: 25 16.507 2.014 0.300 0.631 0.958 0.750 CA 1.188 25 residues pruned to eliminate duplicates Z: 23 15.596 2.028 0.376 0.615 0.909 0.682 CA 1.175 23 residues pruned to eliminate duplicates Z: 27 15.412 1.878 0.382 0.588 0.962 0.654 CA 1.114 27 residues pruned to eliminate duplicates Z: 64 33.998 1.899 0.629 0.605 0.937 0.524 CA 1.338 64 residues pruned to eliminate duplicates Z: 76 30.504 1.893 0.531 0.503 0.880 0.507 CB 1.376 76 residues pruned to eliminate duplicates Z: 25 17.084 1.977 0.326 0.629 0.958 0.750 CA 1.230 25 residues pruned to eliminate duplicates Z: 27 17.525 1.953 0.400 0.585 0.962 0.615 CA 1.204 27 residues pruned to eliminate duplicates Z: 25 19.563 1.970 0.446 0.659 1.000 0.708 CA 1.210 25 residues pruned to eliminate duplicates Z: 96 36.787 1.888 0.612 0.547 0.884 0.537 CA 1.339 96 residues pruned to eliminate duplicates Z: 14 16.845 2.067 0.508 0.826 0.923 0.462 CA 1.224 14 residues pruned to eliminate duplicates Z: 67 33.279 1.918 0.594 0.608 0.909 0.591 CA 1.330 67 residues pruned to eliminate duplicates Z: 26 14.018 1.883 0.180 0.594 0.960 0.560 CA 1.201 26 residues pruned to eliminate duplicates Z: 25 16.853 1.950 0.304 0.614 1.000 0.708 CA 1.214 25 residues pruned to eliminate duplicates Z: 18 15.545 1.992 0.262 0.753 1.000 0.529 CA 1.197 18 residues pruned to eliminate duplicates Z: 24 18.693 2.030 0.396 0.644 0.913 0.565 CA 1.317 24 residues pruned to eliminate duplicates Z: 19 20.354 2.011 0.517 0.692 0.944 0.500 CA 1.397 19 residues pruned to eliminate duplicates Z: 29 19.291 1.885 0.499 0.544 0.929 0.536 CA 1.330 29 residues pruned to eliminate duplicates Z: 8 9.691 1.826 0.462 0.700 1.000 0.714 CB 1.144 8 residues pruned to eliminate duplicates Z: 10 10.020 1.858 0.265 0.660 1.000 0.778 CB 1.225 10 residues pruned to eliminate duplicates Z: 10 9.549 1.867 0.216 0.646 1.000 0.778 CB 1.223 10 residues pruned to eliminate duplicates Z: 8 10.771 1.939 0.317 0.822 1.000 0.714 CB 1.205 8 residues pruned to eliminate duplicates Z: 16 14.209 1.850 0.662 0.652 0.933 0.667 CB 1.110 16 residues pruned to eliminate duplicates Z: 8 11.839 1.979 0.655 0.797 1.000 0.714 CB 1.054 8 residues pruned to eliminate duplicates Z: 16 8.183 1.898 0.504 0.514 0.867 0.667 CB 0.843 16 residues pruned to eliminate duplicates Z: 8 4.893 1.632 0.462 0.463 0.857 0.571 CB 0.939 8 residues pruned to eliminate duplicates Z: 13 7.779 1.792 0.420 0.577 0.833 0.500 CB 0.984 13 residues pruned to eliminate duplicates Z: 12 12.992 1.912 0.528 0.718 0.909 0.545 CB 1.211 12 residues pruned to eliminate duplicates Z: 12 13.275 1.906 0.586 0.703 0.909 0.545 CB 1.211 12 residues pruned to eliminate duplicates Z: 17 10.071 1.715 0.799 0.543 0.750 0.562 CB 1.043 17 residues pruned to eliminate duplicates Z: 18 6.426 1.731 0.485 0.402 0.706 0.529 CB 0.953 18 residues pruned to eliminate duplicates Z: 15 11.114 1.740 0.588 0.614 0.857 0.571 CB 1.126 15 residues pruned to eliminate duplicates Z: 11 10.003 1.897 0.435 0.604 0.900 0.600 CB 1.169 11 residues pruned to eliminate duplicates Z: 11 12.225 1.914 0.543 0.676 0.900 0.800 CB 1.238 11 residues pruned to eliminate duplicates Z: 21 12.001 1.854 0.444 0.532 0.800 0.600 CB 1.214 21 residues pruned to eliminate duplicates Z: 13 12.215 1.819 0.701 0.516 0.917 0.417 CA 1.223 13 residues pruned to eliminate duplicates Z: 30 12.551 1.783 0.544 0.416 0.759 0.517 CB 1.218 30 residues pruned to eliminate duplicates Z: 22 13.326 1.747 0.775 0.469 0.810 0.524 CA 1.195 22 residues pruned to eliminate duplicates Z: 10 7.277 1.698 0.360 0.498 0.889 0.556 CB 1.184 10 residues pruned to eliminate duplicates Z: 29 13.673 1.776 0.589 0.410 0.821 0.429 CB 1.225 29 residues pruned to eliminate duplicates Z: 12 10.024 1.731 0.730 0.391 0.909 0.545 CB 1.246 12 residues pruned to eliminate duplicates Z: 22 14.916 1.785 0.569 0.509 0.952 0.667 CB 1.209 22 residues pruned to eliminate duplicates Z: 15 21.346 2.094 0.499 0.803 1.000 0.643 CA 1.395 15 residues pruned to eliminate duplicates Z: 53 31.200 1.961 0.473 0.591 0.942 0.558 CB 1.456 53 residues pruned to eliminate duplicates Z: 12 23.176 2.175 0.704 0.831 1.000 0.545 CA 1.417 12 residues pruned to eliminate duplicates Z: 56 29.453 1.924 0.459 0.583 0.945 0.564 CB 1.382 63 residues pruned to eliminate duplicates Z: 15 27.408 2.093 0.716 0.883 1.000 0.643 CA 1.475 15 residues pruned to eliminate duplicates Z: 15 25.950 2.103 0.586 0.892 1.000 0.643 CA 1.494 15 residues pruned to eliminate duplicates Z: 27 24.512 1.999 0.591 0.576 0.962 0.500 CB 1.461 27 residues pruned to eliminate duplicates Z: 15 25.154 2.039 0.685 0.895 1.000 0.571 CA 1.402 15 residues pruned to eliminate duplicates Z: 20 24.246 2.019 0.868 0.672 0.842 0.316 CB 1.495 20 residues pruned to eliminate duplicates Z: 55 34.023 1.934 0.570 0.606 0.981 0.519 CB 1.404 55 residues pruned to eliminate duplicates Z: 15 29.542 2.084 0.787 0.926 1.000 0.714 CA 1.487 14 residues pruned to eliminate duplicates Z: 15 29.587 2.048 0.884 0.893 0.929 0.429 CA 1.585 15 residues pruned to eliminate duplicates Z: 34 21.435 2.005 0.765 0.568 0.879 0.636 CB 1.124 34 residues pruned to eliminate duplicates Z: 18 16.825 2.006 0.607 0.538 0.941 0.588 CB 1.296 18 residues pruned to eliminate duplicates Z: 17 13.374 1.841 0.567 0.522 0.875 0.688 CB 1.296 17 residues pruned to eliminate duplicates Z: 32 20.077 2.034 0.731 0.552 0.903 0.677 CB 1.077 32 residues pruned to eliminate duplicates Z: 37 20.278 2.001 0.707 0.473 0.889 0.583 CB 1.144 37 residues pruned to eliminate duplicates Z: 20 14.526 1.993 0.530 0.479 0.947 0.737 CB 1.178 20 residues pruned to eliminate duplicates Z: 12 8.772 1.870 0.637 0.433 0.909 0.545 CB 1.019 12 residues pruned to eliminate duplicates Z: 16 11.955 1.880 0.646 0.452 0.933 0.800 CB 1.123 16 residues pruned to eliminate duplicates Z: 33 22.013 2.035 0.823 0.582 0.906 0.562 CB 1.069 33 residues pruned to eliminate duplicates Z: 49 26.681 2.040 0.722 0.537 0.854 0.562 CB 1.238 49 residues pruned to eliminate duplicates Z: 62 29.182 2.006 0.671 0.486 0.902 0.574 CB 1.254 62 residues pruned to eliminate duplicates Z: 32 22.957 2.050 0.680 0.549 0.935 0.548 CB 1.220 32 residues pruned to eliminate duplicates Z: 31 24.136 2.037 0.865 0.580 0.933 0.633 CB 1.151 31 residues pruned to eliminate duplicates Z: 32 22.728 2.062 0.715 0.573 0.903 0.645 CB 1.191 32 residues pruned to eliminate duplicates Z: 32 24.971 2.049 0.781 0.564 0.935 0.645 CB 1.234 32 residues pruned to eliminate duplicates Z: 31 24.637 2.048 0.941 0.541 0.933 0.700 CB 1.164 31 residues pruned to eliminate duplicates Z: 63 32.938 1.993 0.737 0.508 0.919 0.645 CB 1.305 63 residues pruned to eliminate duplicates Z: 31 20.668 2.045 0.691 0.512 0.933 0.567 CB 1.155 31 residues pruned to eliminate duplicates Z: 47 30.472 2.038 0.761 0.488 0.957 0.565 CB 1.325 47 residues pruned to eliminate duplicates Z: 33 19.419 2.052 0.604 0.536 0.875 0.625 CB 1.151 33 residues pruned to eliminate duplicates Z: 34 20.824 2.029 0.653 0.546 0.879 0.667 CB 1.176 34 residues pruned to eliminate duplicates Z: 24 22.704 2.050 0.907 0.590 0.957 0.652 CB 1.161 24 residues pruned to eliminate duplicates Z: 31 24.322 2.070 0.791 0.576 0.900 0.667 CB 1.237 31 residues pruned to eliminate duplicates Z: 33 23.037 2.042 0.666 0.558 0.906 0.594 CB 1.248 33 residues pruned to eliminate duplicates Z: 34 21.580 2.027 0.695 0.537 0.909 0.576 CB 1.160 34 residues pruned to eliminate duplicates Z: 11 10.448 2.053 0.549 0.457 0.800 0.500 CB 1.357 11 residues pruned to eliminate duplicates Z: 45 25.117 1.988 0.587 0.552 0.909 0.614 CB 1.254 45 residues pruned to eliminate duplicates Z: 60 31.284 1.999 0.697 0.464 0.932 0.593 CB 1.337 59 residues pruned to eliminate duplicates Z: 7 5.396 1.759 0.245 0.546 1.000 0.667 CA 0.962 7 residues pruned to eliminate duplicates Z: 46 29.905 1.996 0.739 0.501 0.933 0.511 CB 1.375 46 residues pruned to eliminate duplicates Z: 62 36.183 2.013 0.758 0.524 0.951 0.639 CB 1.345 61 residues pruned to eliminate duplicates Z: 6 2.777 1.558 0.329 0.386 0.800 0.200 CA 0.847 6 residues pruned to eliminate duplicates Z: 47 25.438 2.020 0.690 0.479 0.870 0.457 CB 1.291 47 residues pruned to eliminate duplicates Z: 61 29.794 2.034 0.647 0.486 0.917 0.617 CB 1.271 61 residues pruned to eliminate duplicates Z: 61 28.235 1.991 0.644 0.444 0.883 0.700 CB 1.336 60 residues pruned to eliminate duplicates Z: 15 18.704 1.842 0.970 0.747 0.929 0.643 CA 1.190 15 residues pruned to eliminate duplicates Z: 28 25.098 1.991 0.726 0.460 1.000 0.741 CA 1.464 28 residues pruned to eliminate duplicates Z: 24 22.495 2.093 0.702 0.569 0.870 0.652 CA 1.417 24 residues pruned to eliminate duplicates Z: 49 28.082 1.953 0.809 0.473 0.917 0.604 CB 1.287 49 residues pruned to eliminate duplicates Z: 17 20.698 2.039 0.840 0.558 0.875 0.688 CB 1.490 17 residues pruned to eliminate duplicates Z: 39 25.613 2.031 0.671 0.453 0.921 0.684 CA 1.395 39 residues pruned to eliminate duplicates Z: 44 27.922 2.028 0.662 0.508 0.907 0.605 CB 1.381 44 residues pruned to eliminate duplicates Z: 39 25.050 2.036 0.680 0.455 0.895 0.684 CB 1.390 39 residues pruned to eliminate duplicates Z: 47 31.800 2.072 0.708 0.560 0.957 0.717 CA 1.307 47 residues pruned to eliminate duplicates Z: 38 27.271 2.048 0.733 0.480 0.919 0.730 CB 1.403 38 residues pruned to eliminate duplicates Z: 60 29.284 2.008 0.540 0.460 0.932 0.559 CB 1.378 60 residues pruned to eliminate duplicates Z: 60 30.254 2.018 0.643 0.465 0.898 0.610 CB 1.371 60 residues pruned to eliminate duplicates Z: 61 31.350 1.996 0.640 0.499 0.917 0.617 CB 1.350 61 residues pruned to eliminate duplicates Z: 16 14.392 1.821 0.630 0.370 1.000 0.800 CA 1.439 14 residues pruned to eliminate duplicates Z: 7 6.865 1.383 0.780 0.507 1.000 0.833 O 1.131 7 residues pruned to eliminate duplicates Z: 38 22.276 2.025 0.546 0.458 0.892 0.703 CA 1.369 38 residues pruned to eliminate duplicates Z: 16 13.673 1.837 0.717 0.315 1.000 0.800 CA 1.373 16 residues pruned to eliminate duplicates Z: 6 4.610 1.774 0.251 0.221 1.000 0.400 CB 1.289 6 residues pruned to eliminate duplicates Z: 31 24.590 1.974 0.723 0.478 0.933 0.667 CB 1.446 31 residues pruned to eliminate duplicates Z: 61 31.866 2.009 0.652 0.494 0.917 0.633 CB 1.360 61 residues pruned to eliminate duplicates Z: 15 12.924 1.939 0.704 0.385 1.000 0.714 CB 1.181 16 residues pruned to eliminate duplicates Z: 13 14.418 1.737 0.662 0.802 1.000 0.750 CA 1.107 12 residues pruned to eliminate duplicates Z: 13 12.114 1.650 0.370 0.850 1.000 0.667 CA 1.146 13 residues pruned to eliminate duplicates Z: 11 9.399 1.708 0.332 0.767 0.900 0.500 CA 1.146 11 residues pruned to eliminate duplicates Z: 15 9.429 1.680 0.295 0.666 0.929 0.500 CA 1.069 15 residues pruned to eliminate duplicates Z: 65 28.593 1.877 0.639 0.529 0.891 0.547 CB 1.268 62 residues pruned to eliminate duplicates Z: 13 11.027 1.641 0.389 0.775 0.917 0.583 CB 1.195 13 residues pruned to eliminate duplicates Z: 12 10.410 1.783 0.370 0.745 0.909 0.545 CA 1.135 12 residues pruned to eliminate duplicates Z: 42 23.782 1.885 0.645 0.616 0.854 0.561 CA 1.257 42 residues pruned to eliminate duplicates Z: 46 22.224 1.895 0.517 0.555 0.889 0.689 CA 1.230 46 residues pruned to eliminate duplicates Z: 29 16.911 1.805 0.429 0.556 0.929 0.643 CA 1.264 29 residues pruned to eliminate duplicates Z: 45 25.772 1.881 0.672 0.611 0.886 0.636 CA 1.254 45 residues pruned to eliminate duplicates Z: 29 17.606 1.767 0.487 0.562 0.929 0.643 CB 1.284 29 residues pruned to eliminate duplicates Z: 35 19.785 1.909 0.574 0.523 0.882 0.676 CA 1.251 35 residues pruned to eliminate duplicates Z: 46 25.563 1.942 0.657 0.516 0.889 0.533 CA 1.311 46 residues pruned to eliminate duplicates Z: 35 24.207 1.971 0.721 0.549 0.912 0.618 CA 1.280 35 residues pruned to eliminate duplicates Z: 26 18.597 2.021 0.538 0.558 0.880 0.600 CA 1.286 26 residues pruned to eliminate duplicates Z: 19 9.128 1.840 0.403 0.345 0.778 0.444 CA 1.269 19 residues pruned to eliminate duplicates Z: 49 24.982 1.988 0.551 0.525 0.875 0.500 CA 1.304 49 residues pruned to eliminate duplicates Z: 33 19.755 2.036 0.573 0.555 0.812 0.594 CA 1.273 33 residues pruned to eliminate duplicates Z: 40 18.035 1.927 0.470 0.438 0.872 0.462 CB 1.247 40 residues pruned to eliminate duplicates Z: 49 23.871 1.945 0.607 0.495 0.896 0.542 CA 1.236 49 residues pruned to eliminate duplicates Z: 28 16.772 1.940 0.765 0.509 0.852 0.667 CA 1.097 28 residues pruned to eliminate duplicates Z: 24 17.518 2.013 0.648 0.628 0.826 0.783 CA 1.181 24 residues pruned to eliminate duplicates Z: 32 23.595 2.007 0.648 0.595 0.935 0.774 CA 1.251 32 residues pruned to eliminate duplicates Z: 31 19.192 2.036 0.334 0.601 0.933 0.700 CA 1.255 31 residues pruned to eliminate duplicates Z: 48 27.739 1.983 0.539 0.538 0.957 0.553 CA 1.335 48 residues pruned to eliminate duplicates Z: 18 15.689 2.049 0.279 0.538 1.000 0.588 CA 1.399 18 residues pruned to eliminate duplicates Z: 24 19.596 2.048 0.510 0.586 0.957 0.609 CA 1.271 24 residues pruned to eliminate duplicates Z: 20 16.464 1.995 0.585 0.457 0.947 0.474 CB 1.318 20 residues pruned to eliminate duplicates Z: 46 26.475 1.997 0.436 0.567 0.933 0.622 CA 1.381 46 residues pruned to eliminate duplicates Z: 24 15.161 1.925 0.727 0.494 0.783 0.478 CA 1.222 24 residues pruned to eliminate duplicates Z: 24 21.505 2.007 0.603 0.642 0.957 0.565 CA 1.276 24 residues pruned to eliminate duplicates Z: 48 27.339 1.988 0.651 0.553 0.872 0.426 CB 1.323 48 residues pruned to eliminate duplicates Z: 48 29.059 1.997 0.670 0.553 0.894 0.511 CB 1.351 48 residues pruned to eliminate duplicates Z: 9 18.631 2.127 1.322 0.881 1.000 0.625 CA 0.966 9 residues pruned to eliminate duplicates Z: 33 22.817 2.025 0.576 0.577 0.938 0.594 CB 1.252 33 residues pruned to eliminate duplicates Z: 11 10.708 2.028 0.611 0.463 0.900 0.600 CB 1.196 11 residues pruned to eliminate duplicates Z: 17 9.078 1.948 0.666 0.254 0.750 0.375 CB 1.237 17 residues pruned to eliminate duplicates Z: 39 17.576 1.889 0.490 0.411 0.868 0.395 CB 1.279 38 residues pruned to eliminate duplicates Z: 7 7.321 1.728 0.510 0.456 1.000 0.667 CA 1.198 7 residues pruned to eliminate duplicates Z: 31 18.268 1.933 0.584 0.458 0.867 0.567 CB 1.312 31 residues pruned to eliminate duplicates Z: 38 19.980 1.983 0.564 0.414 0.865 0.568 CA 1.339 38 residues pruned to eliminate duplicates Z: 25 14.763 1.873 0.694 0.391 0.792 0.375 CA 1.347 25 residues pruned to eliminate duplicates Z: 26 20.936 1.971 0.698 0.472 0.920 0.520 CA 1.399 26 residues pruned to eliminate duplicates Z: 31 17.964 1.859 0.575 0.475 0.933 0.467 CA 1.231 31 residues pruned to eliminate duplicates Z: 16 19.479 1.974 0.789 0.592 0.933 0.733 CA 1.397 16 residues pruned to eliminate duplicates Z: 26 23.504 2.013 0.740 0.505 0.920 0.680 CA 1.452 26 residues pruned to eliminate duplicates Z: 26 18.622 2.020 0.608 0.492 0.840 0.560 CA 1.376 26 residues pruned to eliminate duplicates Z: 25 21.552 2.007 0.743 0.490 0.917 0.542 CA 1.385 25 residues pruned to eliminate duplicates Z: 39 20.280 1.866 0.625 0.454 0.921 0.684 CB 1.235 39 residues pruned to eliminate duplicates Z: 6 7.898 1.933 0.791 0.399 0.800 0.200 CB 1.418 6 residues pruned to eliminate duplicates Z: 12 6.616 1.666 0.156 0.600 0.909 0.545 CB 1.036 12 residues pruned to eliminate duplicates Z: 10 5.266 1.695 0.083 0.561 0.889 0.667 CA 1.014 10 residues pruned to eliminate duplicates Z: 11 7.757 1.750 0.331 0.562 1.000 0.700 CA 0.992 12 residues pruned to eliminate duplicates Z: 9 7.502 1.685 0.471 0.695 1.000 0.375 CA 0.895 9 residues pruned to eliminate duplicates Z: 18 5.933 1.571 0.319 0.387 0.824 0.529 CB 0.950 18 residues pruned to eliminate duplicates Z: 16 6.091 1.583 0.255 0.505 0.867 0.667 CB 0.909 16 residues pruned to eliminate duplicates Z: 15 6.338 1.665 0.261 0.440 0.857 0.571 CB 1.001 15 residues pruned to eliminate duplicates Z: 17 7.480 1.623 0.448 0.464 0.812 0.500 CA 1.016 17 residues pruned to eliminate duplicates Z: 24 13.131 1.706 0.510 0.435 0.913 0.435 CB 1.244 29 residues pruned to eliminate duplicates Z: 10 3.749 1.464 0.177 0.541 0.889 0.556 CA 0.784 10 residues pruned to eliminate duplicates Z: 15 12.301 1.774 0.657 0.558 0.929 0.643 CA 1.138 15 residues pruned to eliminate duplicates Z: 24 11.280 1.679 0.691 0.381 0.783 0.565 CB 1.202 24 residues pruned to eliminate duplicates Z: 20 11.749 1.688 0.614 0.443 0.895 0.474 CB 1.172 20 residues pruned to eliminate duplicates Z: 12 11.513 1.766 0.405 0.476 1.000 0.636 CB 1.434 12 residues pruned to eliminate duplicates Z: 12 8.550 1.649 0.495 0.384 0.909 0.818 CA 1.302 12 residues pruned to eliminate duplicates Z: 19 11.672 1.736 0.512 0.501 0.889 0.611 CA 1.178 19 residues pruned to eliminate duplicates Z: 6 2.662 1.323 0.046 0.589 0.800 0.800 O 0.988 Z: 7 5.627 1.600 0.362 0.459 0.833 0.333 CA 1.319 Z: 13 14.067 1.770 0.462 0.845 1.000 0.750 CB 1.167 13 residues pruned to eliminate duplicates Z: 65 35.394 1.985 0.594 0.640 0.906 0.688 CB 1.354 65 residues pruned to eliminate duplicates Z: 67 36.152 1.992 0.490 0.627 0.955 0.636 CA 1.394 67 residues pruned to eliminate duplicates Z: 47 29.342 1.954 0.588 0.589 0.913 0.609 CA 1.402 47 residues pruned to eliminate duplicates Z: 62 36.469 2.014 0.539 0.651 0.951 0.689 CA 1.377 62 residues pruned to eliminate duplicates Z: 53 30.387 1.976 0.626 0.595 0.885 0.712 CB 1.353 53 residues pruned to eliminate duplicates Z: 28 15.949 1.823 0.553 0.552 0.815 0.222 CB 1.266 35 residues pruned to eliminate duplicates Z: 60 25.278 1.893 0.498 0.513 0.898 0.559 CA 1.275 60 residues pruned to eliminate duplicates Z: 63 33.187 2.012 0.441 0.641 0.919 0.629 CA 1.385 63 residues pruned to eliminate duplicates Z: 68 36.359 1.991 0.520 0.649 0.925 0.701 CB 1.380 68 residues pruned to eliminate duplicates Z: 49 32.435 1.977 0.661 0.610 0.938 0.500 CB 1.370 38 residues pruned to eliminate duplicates Z: 15 17.619 1.833 0.780 0.771 1.000 0.429 CA 1.135 15 residues pruned to eliminate duplicates Z: 47 27.719 1.966 0.637 0.588 0.870 0.565 CB 1.342 47 residues pruned to eliminate duplicates Z: 63 37.384 2.005 0.579 0.659 0.952 0.645 CA 1.360 63 residues pruned to eliminate duplicates Z: 50 33.153 2.017 0.570 0.625 0.959 0.694 CB 1.387 50 residues pruned to eliminate duplicates Z: 67 34.910 2.000 0.574 0.629 0.939 0.682 CB 1.287 67 residues pruned to eliminate duplicates Z: 55 29.636 1.955 0.523 0.585 0.907 0.500 CA 1.375 55 residues pruned to eliminate duplicates Z: 55 24.406 1.873 0.618 0.497 0.889 0.463 CB 1.237 55 residues pruned to eliminate duplicates Z: 42 25.839 2.008 0.466 0.613 0.878 0.390 CB 1.402 42 residues pruned to eliminate duplicates Z: 54 30.287 1.986 0.565 0.579 0.887 0.528 CB 1.399 54 residues pruned to eliminate duplicates Z: 55 30.160 1.994 0.592 0.554 0.926 0.537 CB 1.324 55 residues pruned to eliminate duplicates Z: 67 34.546 1.992 0.519 0.605 0.924 0.682 CB 1.376 67 residues pruned to eliminate duplicates Z: 44 33.823 2.005 0.741 0.608 0.930 0.512 CB 1.433 44 residues pruned to eliminate duplicates Z: 68 33.828 1.969 0.456 0.619 0.940 0.627 CA 1.370 68 residues pruned to eliminate duplicates Z: 50 32.429 2.004 0.681 0.577 0.918 0.633 CB 1.390 50 residues pruned to eliminate duplicates Z: 61 35.826 2.022 0.538 0.649 0.950 0.700 CB 1.362 61 residues pruned to eliminate duplicates Z: 52 30.577 2.017 0.528 0.599 0.922 0.725 CB 1.371 52 residues pruned to eliminate duplicates Z: 61 38.833 2.005 0.667 0.639 0.967 0.683 CB 1.362 61 residues pruned to eliminate duplicates Z: 74 34.265 1.968 0.562 0.605 0.877 0.548 CB 1.347 74 residues pruned to eliminate duplicates Z: 67 34.128 1.987 0.560 0.632 0.879 0.621 CB 1.363 67 residues pruned to eliminate duplicates Z: 73 37.326 1.957 0.672 0.580 0.931 0.583 CB 1.338 73 residues pruned to eliminate duplicates Z: 64 35.688 1.992 0.633 0.617 0.921 0.556 CB 1.344 64 residues pruned to eliminate duplicates Z: 68 36.405 1.990 0.575 0.647 0.925 0.716 CB 1.337 68 residues pruned to eliminate duplicates Z: 85 36.149 1.929 0.603 0.557 0.893 0.643 CA 1.352 89 residues pruned to eliminate duplicates Z: 12 27.174 2.163 0.825 0.904 0.909 0.455 CB 1.625 12 residues pruned to eliminate duplicates Z: 67 35.870 1.994 0.557 0.652 0.939 0.576 CB 1.315 67 residues pruned to eliminate duplicates Z: 75 32.483 1.952 0.575 0.576 0.878 0.568 CB 1.300 75 residues pruned to eliminate duplicates Z: 69 35.446 1.972 0.525 0.611 0.956 0.603 CB 1.346 69 residues pruned to eliminate duplicates Z: 64 33.025 1.981 0.592 0.611 0.889 0.619 CB 1.336 64 residues pruned to eliminate duplicates Z: 29 18.543 1.896 0.501 0.569 0.893 0.679 CA 1.291 29 residues pruned to eliminate duplicates Z: 62 36.079 1.973 0.567 0.626 0.951 0.557 CB 1.396 62 residues pruned to eliminate duplicates Z: 13 8.335 1.805 0.496 0.416 0.833 0.667 CA 1.168 13 residues pruned to eliminate duplicates Z: 61 33.177 1.956 0.564 0.613 0.933 0.683 CB 1.348 61 residues pruned to eliminate duplicates Z: 61 32.276 1.970 0.539 0.626 0.917 0.600 CB 1.332 61 residues pruned to eliminate duplicates Z: 60 37.424 2.000 0.674 0.636 0.915 0.695 CB 1.399 59 residues pruned to eliminate duplicates Z: 16 15.737 1.985 0.365 0.793 0.933 0.800 CB 1.243 16 residues pruned to eliminate duplicates Z: 27 18.777 1.926 0.387 0.619 0.962 0.692 CA 1.282 27 residues pruned to eliminate duplicates Z: 27 16.958 1.927 0.269 0.652 0.962 0.692 CA 1.229 27 residues pruned to eliminate duplicates Z: 33 15.991 1.826 0.351 0.579 0.906 0.688 CB 1.173 33 residues pruned to eliminate duplicates Z: 27 17.847 1.922 0.332 0.612 0.923 0.731 CA 1.331 27 residues pruned to eliminate duplicates Z: 26 18.085 1.935 0.355 0.635 0.960 0.680 CA 1.266 26 residues pruned to eliminate duplicates Z: 14 14.842 1.906 0.224 0.914 1.000 0.769 CA 1.248 14 residues pruned to eliminate duplicates Z: 26 16.579 1.890 0.304 0.635 0.960 0.720 CA 1.234 26 residues pruned to eliminate duplicates Z: 12 17.317 2.005 0.494 0.908 1.000 0.818 CB 1.238 12 residues pruned to eliminate duplicates Z: 27 17.329 1.922 0.337 0.641 0.885 0.692 CB 1.310 28 residues pruned to eliminate duplicates Z: 14 19.519 2.001 0.612 0.899 0.923 0.615 CB 1.299 13 residues pruned to eliminate duplicates Z: 13 18.292 1.870 0.784 0.909 0.917 0.750 CB 1.226 13 residues pruned to eliminate duplicates Z: 66 37.509 1.988 0.592 0.624 0.938 0.600 CB 1.393 66 residues pruned to eliminate duplicates Z: 63 33.593 1.980 0.526 0.619 0.935 0.629 CB 1.350 63 residues pruned to eliminate duplicates Z: 27 19.106 1.915 0.378 0.651 0.962 0.654 CA 1.282 27 residues pruned to eliminate duplicates Z: 22 17.676 1.977 0.267 0.723 0.952 0.714 CA 1.322 22 residues pruned to eliminate duplicates Z: 27 18.495 1.950 0.364 0.634 0.923 0.654 CA 1.304 27 residues pruned to eliminate duplicates Z: 7 3.101 1.473 0.432 0.463 0.833 0.667 CB 0.748 Z: 12 14.977 2.126 0.468 0.751 0.909 0.909 CA 1.273 12 residues pruned to eliminate duplicates Z: 54 34.271 2.059 0.656 0.563 0.925 0.698 CA 1.404 54 residues pruned to eliminate duplicates Z: 58 31.232 2.009 0.610 0.533 0.912 0.596 CA 1.358 58 residues pruned to eliminate duplicates Z: 37 23.668 1.996 0.545 0.530 0.944 0.583 CA 1.315 37 residues pruned to eliminate duplicates Z: 44 26.254 1.978 0.544 0.552 0.977 0.651 CA 1.276 44 residues pruned to eliminate duplicates Z: 50 22.804 1.886 0.581 0.436 0.918 0.551 CA 1.271 50 residues pruned to eliminate duplicates Z: 27 18.486 1.900 0.553 0.537 0.885 0.692 CA 1.339 27 residues pruned to eliminate duplicates Z: 56 34.191 2.027 0.630 0.570 0.945 0.636 CA 1.380 56 residues pruned to eliminate duplicates Z: 39 24.675 1.905 0.620 0.534 0.974 0.711 CA 1.289 39 residues pruned to eliminate duplicates Z: 38 22.910 1.975 0.541 0.524 0.973 0.622 CA 1.242 38 residues pruned to eliminate duplicates Z: 40 20.420 1.913 0.550 0.473 1.000 0.641 CA 1.133 40 residues pruned to eliminate duplicates Z: 39 21.650 1.976 0.484 0.489 0.974 0.658 CA 1.243 39 residues pruned to eliminate duplicates Z: 20 24.066 1.978 0.631 0.688 0.947 0.579 CA 1.521 20 residues pruned to eliminate duplicates Z: 22 21.777 1.917 0.739 0.639 0.952 0.476 CA 1.315 22 residues pruned to eliminate duplicates Z: 56 36.811 2.048 0.612 0.601 0.964 0.636 CA 1.418 56 residues pruned to eliminate duplicates Z: 49 23.398 1.909 0.603 0.436 0.917 0.562 CB 1.286 49 residues pruned to eliminate duplicates Z: 39 21.630 1.935 0.591 0.505 0.895 0.632 CB 1.267 39 residues pruned to eliminate duplicates Z: 21 28.208 2.040 0.828 0.694 1.000 0.700 CA 1.417 21 residues pruned to eliminate duplicates Z: 54 35.831 2.089 0.583 0.585 0.981 0.623 CA 1.398 54 residues pruned to eliminate duplicates Z: 55 38.693 2.064 0.673 0.609 0.981 0.704 CA 1.401 55 residues pruned to eliminate duplicates Z: 43 28.262 2.035 0.663 0.533 0.929 0.667 CA 1.343 43 residues pruned to eliminate duplicates Z: 39 19.235 1.933 0.435 0.406 0.974 0.605 CB 1.275 39 residues pruned to eliminate duplicates Z: 55 41.780 2.086 0.728 0.609 0.981 0.685 CA 1.449 55 residues pruned to eliminate duplicates Z: 37 25.573 2.000 0.656 0.531 0.944 0.583 CA 1.322 37 residues pruned to eliminate duplicates Z: 44 24.803 1.932 0.654 0.475 0.907 0.465 CA 1.338 44 residues pruned to eliminate duplicates Z: 36 25.242 1.995 0.632 0.565 0.943 0.543 CA 1.306 36 residues pruned to eliminate duplicates Z: 39 27.131 2.004 0.678 0.519 0.974 0.632 CA 1.320 60 residues pruned to eliminate duplicates Z: 7 4.017 1.534 0.050 0.370 1.000 0.500 CA 1.171 7 residues pruned to eliminate duplicates Z: 55 38.316 2.074 0.589 0.599 0.981 0.630 CA 1.467 55 residues pruned to eliminate duplicates Z: 35 27.260 2.088 0.597 0.570 0.941 0.647 CB 1.391 35 residues pruned to eliminate duplicates Z: 65 38.774 2.012 0.713 0.548 0.938 0.578 CB 1.432 65 residues pruned to eliminate duplicates Z: 57 32.601 2.043 0.674 0.570 0.857 0.554 CA 1.388 57 residues pruned to eliminate duplicates Z: 21 34.354 2.154 0.958 0.711 1.000 0.600 CA 1.503 21 residues pruned to eliminate duplicates Z: 56 39.243 2.057 0.697 0.582 0.964 0.582 CA 1.454 56 residues pruned to eliminate duplicates Z: 21 32.437 2.172 0.810 0.709 1.000 0.700 CA 1.526 21 residues pruned to eliminate duplicates Z: 55 39.837 2.065 0.762 0.605 0.963 0.574 CA 1.400 55 residues pruned to eliminate duplicates Z: 55 37.425 2.059 0.671 0.601 0.963 0.630 CA 1.397 55 residues pruned to eliminate duplicates Z: 54 36.930 2.067 0.597 0.574 0.981 0.566 CB 1.458 54 residues pruned to eliminate duplicates Z: 21 30.376 2.191 0.683 0.671 1.000 0.550 CA 1.572 21 residues pruned to eliminate duplicates Z: 53 39.122 2.102 0.725 0.590 0.923 0.654 CA 1.487 53 residues pruned to eliminate duplicates Z: 70 32.806 1.962 0.676 0.519 0.899 0.609 CB 1.311 70 residues pruned to eliminate duplicates Z: 56 40.457 2.061 0.749 0.613 0.964 0.655 CA 1.411 56 residues pruned to eliminate duplicates Z: 21 32.806 2.177 0.961 0.709 0.950 0.550 CB 1.497 21 residues pruned to eliminate duplicates Z: 21 25.349 2.090 0.771 0.631 0.850 0.450 CB 1.593 22 residues pruned to eliminate duplicates Z: 15 36.269 2.198 1.076 0.885 1.000 0.500 CA 1.533 15 residues pruned to eliminate duplicates Z: 58 40.880 2.056 0.796 0.568 0.965 0.509 CB 1.424 57 residues pruned to eliminate duplicates Z: 14 40.858 2.242 1.089 0.907 1.000 0.538 CA 1.719 14 residues pruned to eliminate duplicates Z: 55 38.985 2.048 0.775 0.594 0.926 0.537 CB 1.442 55 residues pruned to eliminate duplicates Z: 15 33.515 2.152 0.861 0.898 1.000 0.357 CA 1.600 15 residues pruned to eliminate duplicates Z: 66 33.347 1.972 0.664 0.535 0.938 0.523 CB 1.298 55 residues pruned to eliminate duplicates Z: 14 37.087 2.231 1.196 0.899 0.923 0.462 CA 1.625 14 residues pruned to eliminate duplicates Z: 6 11.872 1.823 0.662 0.722 1.000 0.800 O 1.435 8 residues pruned to eliminate duplicates Z: 6 4.835 1.546 0.657 0.343 0.800 0.400 O 1.251 Z: 6 4.683 1.489 0.715 0.480 0.800 0.600 CB 1.046 7 residues pruned to eliminate duplicates Z: 8 9.484 1.925 0.512 0.444 1.000 0.286 CA 1.305 8 residues pruned to eliminate duplicates Z: 59 34.072 2.043 0.674 0.428 0.948 0.466 CA 1.486 59 residues pruned to eliminate duplicates Z: 19 17.797 2.036 0.869 0.316 0.889 0.444 CB 1.520 19 residues pruned to eliminate duplicates Z: 9 9.125 1.775 0.751 0.636 0.875 0.625 CA 1.044 9 residues pruned to eliminate duplicates Z: 29 16.686 1.833 0.745 0.338 0.821 0.536 CB 1.432 33 residues pruned to eliminate duplicates Z: 14 20.487 2.006 0.830 0.608 1.000 0.615 CA 1.397 14 residues pruned to eliminate duplicates Z: 21 16.756 1.967 0.772 0.337 0.900 0.450 CB 1.427 21 residues pruned to eliminate duplicates Z: 65 30.710 2.007 0.580 0.482 0.844 0.531 CB 1.461 65 residues pruned to eliminate duplicates Z: 20 18.123 1.945 0.774 0.422 0.895 0.421 CA 1.460 20 residues pruned to eliminate duplicates Z: 67 36.684 2.015 0.703 0.456 0.939 0.500 CB 1.466 67 residues pruned to eliminate duplicates Z: 18 19.531 2.048 0.795 0.394 0.882 0.471 CB 1.633 18 residues pruned to eliminate duplicates Z: 20 21.076 1.917 0.800 0.445 1.000 0.421 CA 1.482 20 residues pruned to eliminate duplicates Z: 20 19.150 1.974 0.921 0.384 0.947 0.474 CB 1.384 20 residues pruned to eliminate duplicates Z: 25 21.739 1.993 0.856 0.419 0.875 0.542 CA 1.492 25 residues pruned to eliminate duplicates Z: 45 33.988 2.037 0.832 0.527 0.932 0.523 CA 1.435 45 residues pruned to eliminate duplicates Z: 52 35.151 2.061 0.778 0.462 0.902 0.490 CA 1.549 52 residues pruned to eliminate duplicates Z: 66 31.421 1.970 0.625 0.453 0.877 0.492 CB 1.456 66 residues pruned to eliminate duplicates Z: 59 31.654 2.037 0.661 0.429 0.897 0.448 CB 1.475 59 residues pruned to eliminate duplicates Z: 60 35.103 2.001 0.736 0.458 0.915 0.458 CB 1.500 60 residues pruned to eliminate duplicates Z: 56 33.227 2.019 0.681 0.447 0.891 0.509 CA 1.564 56 residues pruned to eliminate duplicates Z: 28 26.363 2.040 0.835 0.504 0.889 0.444 CA 1.518 28 residues pruned to eliminate duplicates Z: 31 27.621 1.992 0.778 0.513 0.967 0.433 CA 1.454 31 residues pruned to eliminate duplicates Z: 47 37.859 2.137 0.868 0.475 0.957 0.565 CA 1.499 47 residues pruned to eliminate duplicates Z: 57 31.481 2.025 0.678 0.436 0.911 0.518 CA 1.452 57 residues pruned to eliminate duplicates Z: 52 30.660 2.015 0.738 0.459 0.863 0.451 CB 1.483 52 residues pruned to eliminate duplicates Z: 52 34.823 2.103 0.670 0.474 0.941 0.549 CA 1.514 52 residues pruned to eliminate duplicates Z: 50 36.799 2.074 0.869 0.471 0.939 0.551 CA 1.488 50 residues pruned to eliminate duplicates Z: 27 23.208 2.109 0.561 0.541 0.923 0.500 CB 1.439 27 residues pruned to eliminate duplicates Z: 25 22.396 2.070 0.452 0.625 0.917 0.542 CA 1.476 25 residues pruned to eliminate duplicates Z: 30 23.585 2.061 0.571 0.493 0.966 0.552 CA 1.411 30 residues pruned to eliminate duplicates Z: 49 24.402 1.947 0.478 0.448 0.938 0.583 CB 1.378 49 residues pruned to eliminate duplicates Z: 52 34.900 2.097 0.753 0.457 0.922 0.588 CA 1.507 52 residues pruned to eliminate duplicates Z: 23 26.885 2.136 0.710 0.626 0.955 0.455 CA 1.459 23 residues pruned to eliminate duplicates Z: 32 21.026 1.993 0.467 0.540 0.903 0.484 CB 1.374 32 residues pruned to eliminate duplicates Z: 53 31.434 1.983 0.697 0.562 0.904 0.519 CB 1.349 53 residues pruned to eliminate duplicates Z: 26 24.214 2.098 0.504 0.566 0.920 0.520 CA 1.564 26 residues pruned to eliminate duplicates Z: 23 27.168 2.104 0.604 0.678 1.000 0.455 CA 1.456 23 residues pruned to eliminate duplicates Z: 25 23.193 2.115 0.422 0.608 0.958 0.583 CA 1.483 25 residues pruned to eliminate duplicates Z: 22 29.251 2.168 0.685 0.630 1.000 0.571 CA 1.546 22 residues pruned to eliminate duplicates Z: 47 26.168 1.980 0.542 0.480 0.913 0.565 CB 1.413 47 residues pruned to eliminate duplicates Z: 63 32.657 1.983 0.628 0.464 0.935 0.516 CA 1.425 63 residues pruned to eliminate duplicates Z: 67 36.346 1.991 0.740 0.436 0.939 0.561 CA 1.468 67 residues pruned to eliminate duplicates Z: 28 22.233 2.011 0.589 0.564 0.889 0.519 CB 1.416 28 residues pruned to eliminate duplicates Z: 11 4.003 1.793 0.556 0.317 0.600 0.500 CB 0.926 42 residues pruned to eliminate duplicates Z: 20 23.454 1.978 0.663 0.734 0.947 0.737 CA 1.399 20 residues pruned to eliminate duplicates Z: 25 29.422 2.068 0.842 0.638 0.875 0.708 CA 1.584 25 residues pruned to eliminate duplicates Z: 66 42.535 2.059 0.685 0.609 0.938 0.446 CA 1.462 66 residues pruned to eliminate duplicates Z: 81 44.093 2.083 0.674 0.598 0.913 0.550 CB 1.411 81 residues pruned to eliminate duplicates Z: 78 48.434 2.083 0.797 0.548 0.948 0.558 CA 1.485 78 residues pruned to eliminate duplicates Z: 17 31.420 2.034 0.938 0.846 1.000 0.688 CA 1.481 17 residues pruned to eliminate duplicates Z: 18 28.339 2.131 0.933 0.725 0.882 0.647 CA 1.543 18 residues pruned to eliminate duplicates Z: 19 25.480 2.053 0.871 0.672 0.944 0.556 CA 1.412 19 residues pruned to eliminate duplicates Z: 49 33.286 2.044 0.761 0.577 0.875 0.458 CB 1.416 49 residues pruned to eliminate duplicates Z: 19 29.611 2.129 0.829 0.698 1.000 0.667 CA 1.497 19 residues pruned to eliminate duplicates Z: 18 23.107 2.097 0.838 0.726 0.941 0.647 CA 1.261 18 residues pruned to eliminate duplicates Z: 18 32.498 2.161 0.945 0.711 1.000 0.353 CA 1.548 18 residues pruned to eliminate duplicates Z: 60 34.771 2.057 0.624 0.548 0.915 0.441 CB 1.413 60 residues pruned to eliminate duplicates Z: 26 28.891 2.004 0.842 0.662 0.920 0.480 CA 1.463 26 residues pruned to eliminate duplicates Z: 21 31.091 2.097 0.812 0.684 1.000 0.450 CA 1.545 21 residues pruned to eliminate duplicates Z: 56 41.529 2.117 0.789 0.588 0.891 0.455 CB 1.525 56 residues pruned to eliminate duplicates Z: 65 35.760 2.039 0.709 0.502 0.906 0.500 CB 1.413 63 residues pruned to eliminate duplicates Z: 8 9.246 1.807 0.553 0.688 0.857 0.714 CB 1.222 8 residues pruned to eliminate duplicates Z: 39 22.487 2.003 0.607 0.499 0.868 0.447 CB 1.306 39 residues pruned to eliminate duplicates Z: 49 35.109 2.072 0.840 0.538 0.854 0.438 CB 1.499 49 residues pruned to eliminate duplicates Z: 48 32.850 2.025 0.858 0.543 0.872 0.447 CB 1.400 48 residues pruned to eliminate duplicates Z: 76 43.701 2.110 0.693 0.525 0.933 0.480 CB 1.476 76 residues pruned to eliminate duplicates Z: 51 37.108 2.132 0.663 0.611 0.880 0.620 CA 1.514 51 residues pruned to eliminate duplicates Z: 60 38.414 2.067 0.715 0.558 0.915 0.441 CB 1.456 60 residues pruned to eliminate duplicates Z: 52 35.503 2.095 0.876 0.590 0.804 0.412 CB 1.444 52 residues pruned to eliminate duplicates Z: 53 38.244 2.053 0.856 0.553 0.923 0.538 CA 1.432 53 residues pruned to eliminate duplicates Z: 37 22.447 2.030 0.720 0.529 0.806 0.333 CB 1.293 37 residues pruned to eliminate duplicates Z: 84 44.887 2.088 0.729 0.529 0.880 0.494 CB 1.508 84 residues pruned to eliminate duplicates Z: 35 24.166 2.030 0.815 0.543 0.765 0.441 CB 1.410 35 residues pruned to eliminate duplicates Z: 79 44.950 2.091 0.725 0.528 0.897 0.474 CA 1.530 80 residues pruned to eliminate duplicates Z: 11 14.912 2.156 0.690 0.840 0.700 0.100 CB 1.379 11 residues pruned to eliminate duplicates Z: 64 31.912 2.035 0.605 0.499 0.889 0.508 CB 1.387 64 residues pruned to eliminate duplicates Z: 64 31.871 2.030 0.622 0.489 0.905 0.476 CB 1.362 64 residues pruned to eliminate duplicates Z: 80 40.623 2.047 0.680 0.521 0.924 0.468 CB 1.408 80 residues pruned to eliminate duplicates Z: 38 23.868 2.016 0.746 0.462 0.865 0.486 CB 1.339 38 residues pruned to eliminate duplicates Z: 34 21.892 1.991 0.745 0.488 0.848 0.424 CB 1.308 34 residues pruned to eliminate duplicates Z: 78 44.286 2.102 0.671 0.542 0.922 0.519 CA 1.496 78 residues pruned to eliminate duplicates Z: 49 36.721 2.117 0.760 0.582 0.917 0.438 CB 1.433 49 residues pruned to eliminate duplicates Z: 44 39.172 2.087 0.934 0.608 0.930 0.651 CB 1.436 44 residues pruned to eliminate duplicates Z: 41 25.820 2.057 0.712 0.456 0.900 0.625 CB 1.348 41 residues pruned to eliminate duplicates Z: 62 36.089 2.053 0.666 0.499 0.967 0.525 CB 1.398 62 residues pruned to eliminate duplicates Z: 52 41.077 2.103 0.803 0.602 0.922 0.647 CB 1.494 52 residues pruned to eliminate duplicates Z: 50 43.242 2.114 0.842 0.620 0.959 0.633 CA 1.477 50 residues pruned to eliminate duplicates Z: 10 8.502 1.883 0.368 0.508 0.889 0.556 CB 1.228 10 residues pruned to eliminate duplicates Z: 78 39.846 2.028 0.701 0.496 0.896 0.636 CB 1.474 78 residues pruned to eliminate duplicates Z: 12 8.820 1.911 0.367 0.441 0.818 0.636 CB 1.322 12 residues pruned to eliminate duplicates Z: 9 13.512 2.062 0.553 0.584 1.000 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 37 21.000 2.032 0.443 0.477 0.833 0.528 CB 1.467 37 residues pruned to eliminate duplicates Z: 59 35.636 2.022 0.728 0.510 0.845 0.466 CA 1.569 59 residues pruned to eliminate duplicates Z: 34 21.323 2.030 0.482 0.477 0.848 0.606 CB 1.488 34 residues pruned to eliminate duplicates Z: 40 20.954 1.954 0.471 0.439 0.872 0.590 CA 1.426 40 residues pruned to eliminate duplicates Z: 34 27.345 2.108 0.603 0.480 0.970 0.667 CA 1.482 35 residues pruned to eliminate duplicates Z: 14 17.565 1.944 0.563 0.796 1.000 0.769 CA 1.237 14 residues pruned to eliminate duplicates Z: 39 26.893 2.006 0.599 0.460 0.974 0.684 CA 1.456 39 residues pruned to eliminate duplicates Z: 29 17.534 1.906 0.532 0.536 0.893 0.464 CB 1.226 29 residues pruned to eliminate duplicates Z: 29 23.403 2.117 0.617 0.459 0.893 0.571 CA 1.508 29 residues pruned to eliminate duplicates Z: 37 22.750 2.031 0.498 0.453 0.889 0.528 CA 1.471 37 residues pruned to eliminate duplicates Z: 34 23.238 2.049 0.576 0.457 0.909 0.636 CB 1.440 34 residues pruned to eliminate duplicates Z: 38 20.626 1.978 0.469 0.421 0.892 0.432 CA 1.421 38 residues pruned to eliminate duplicates Z: 32 21.657 2.065 0.533 0.466 0.903 0.484 CA 1.409 32 residues pruned to eliminate duplicates Z: 37 24.596 2.014 0.616 0.474 0.917 0.444 CA 1.412 37 residues pruned to eliminate duplicates Z: 35 25.063 2.074 0.516 0.476 0.941 0.588 CA 1.488 35 residues pruned to eliminate duplicates Z: 36 25.212 2.037 0.585 0.466 0.914 0.571 CA 1.494 35 residues pruned to eliminate duplicates Z: 15 15.582 1.945 0.722 0.646 0.929 0.571 CA 1.168 15 residues pruned to eliminate duplicates Z: 38 20.878 1.930 0.583 0.432 0.919 0.568 CA 1.313 38 residues pruned to eliminate duplicates Z: 78 44.375 2.044 0.712 0.558 0.922 0.494 CA 1.481 78 residues pruned to eliminate duplicates Z: 37 29.056 2.079 0.704 0.469 0.972 0.694 CA 1.452 37 residues pruned to eliminate duplicates Z: 37 25.291 2.064 0.552 0.482 0.944 0.639 CA 1.420 37 residues pruned to eliminate duplicates Z: 28 21.924 2.089 0.526 0.509 0.889 0.630 CA 1.476 28 residues pruned to eliminate duplicates Z: 38 23.644 2.026 0.598 0.436 0.919 0.568 CA 1.396 38 residues pruned to eliminate duplicates Z: 14 13.108 2.084 0.627 0.307 0.846 0.615 CB 1.569 14 residues pruned to eliminate duplicates Z: 39 21.585 1.973 0.554 0.411 0.921 0.579 CA 1.361 39 residues pruned to eliminate duplicates Z: 12 17.424 2.197 0.590 0.332 1.000 0.636 CA 1.806 12 residues pruned to eliminate duplicates Z: 37 26.340 2.064 0.639 0.428 0.944 0.778 CA 1.481 37 residues pruned to eliminate duplicates Z: 36 21.581 2.020 0.570 0.435 0.914 0.629 CA 1.346 36 residues pruned to eliminate duplicates Z: 22 16.296 1.857 0.709 0.486 0.952 0.571 CA 1.193 23 residues pruned to eliminate duplicates Z: 8 9.393 1.976 0.706 0.340 0.857 0.571 CA 1.463 8 residues pruned to eliminate duplicates Z: 11 8.790 1.892 0.676 0.302 0.700 0.500 CB 1.561 11 residues pruned to eliminate duplicates Z: 12 14.006 2.022 0.625 0.411 0.909 0.545 CA 1.551 12 residues pruned to eliminate duplicates Z: 11 11.641 1.962 0.862 0.345 0.800 0.500 CA 1.490 11 residues pruned to eliminate duplicates Z: 13 11.208 1.822 0.656 0.377 0.917 0.583 CA 1.335 13 residues pruned to eliminate duplicates Z: 24 17.212 1.826 0.682 0.447 0.957 0.739 CA 1.290 24 residues pruned to eliminate duplicates Z: 78 40.101 2.034 0.728 0.506 0.883 0.636 CA 1.464 78 residues pruned to eliminate duplicates Z: 27 14.463 1.860 0.553 0.398 0.846 0.500 CB 1.293 27 residues pruned to eliminate duplicates Z: 8 9.854 1.869 0.576 0.494 1.000 0.571 CB 1.273 8 residues pruned to eliminate duplicates Z: 21 14.269 1.887 0.570 0.410 0.900 0.550 CA 1.315 21 residues pruned to eliminate duplicates Z: 17 13.434 1.952 0.659 0.408 0.875 0.500 CA 1.305 17 residues pruned to eliminate duplicates Z: 67 36.311 2.064 0.664 0.448 0.924 0.652 CA 1.486 67 residues pruned to eliminate duplicates Z: 13 7.347 1.833 0.434 0.336 0.917 0.417 CA 1.053 13 residues pruned to eliminate duplicates Z: 67 35.848 2.053 0.651 0.438 0.924 0.576 CB 1.501 67 residues pruned to eliminate duplicates Z: 29 11.454 1.857 0.561 0.298 0.750 0.464 CA 1.248 29 residues pruned to eliminate duplicates Z: 54 24.513 1.965 0.692 0.416 0.792 0.585 CA 1.395 54 residues pruned to eliminate duplicates Z: 23 17.846 1.846 0.765 0.485 0.955 0.591 CA 1.242 23 residues pruned to eliminate duplicates Z: 29 13.254 1.900 0.604 0.318 0.750 0.500 CA 1.340 29 residues pruned to eliminate duplicates Z: 79 39.894 2.061 0.640 0.517 0.897 0.603 CA 1.465 79 residues pruned to eliminate duplicates Z: 75 33.773 2.011 0.580 0.420 0.892 0.500 CA 1.506 75 residues pruned to eliminate duplicates Z: 27 14.409 1.845 0.603 0.385 0.885 0.577 CA 1.220 27 residues pruned to eliminate duplicates Z: 47 28.427 2.050 0.646 0.480 0.935 0.587 CA 1.356 47 residues pruned to eliminate duplicates Z: 63 33.606 2.041 0.683 0.431 0.919 0.581 CA 1.451 63 residues pruned to eliminate duplicates Z: 143 49.246 2.015 0.631 0.475 0.887 0.606 CA 1.454 143 residues pruned to eliminate duplicates Z: 79 40.513 2.050 0.626 0.498 0.923 0.551 CA 1.494 79 residues pruned to eliminate duplicates Z: 71 33.642 2.042 0.663 0.435 0.886 0.629 CA 1.430 71 residues pruned to eliminate duplicates Z: 61 33.606 2.078 0.582 0.568 0.917 0.633 CB 1.348 61 residues pruned to eliminate duplicates Z: 69 35.408 2.027 0.654 0.448 0.926 0.588 CA 1.458 69 residues pruned to eliminate duplicates Z: 24 25.980 2.137 0.637 0.641 1.000 0.783 CA 1.358 24 residues pruned to eliminate duplicates Z: 67 32.148 2.065 0.590 0.410 0.894 0.591 CA 1.482 67 residues pruned to eliminate duplicates Z: 25 23.928 2.103 0.587 0.631 0.917 0.583 CA 1.412 25 residues pruned to eliminate duplicates Z: 80 39.521 2.034 0.584 0.516 0.937 0.633 CA 1.450 80 residues pruned to eliminate duplicates Z: 26 23.237 2.022 0.732 0.576 0.960 0.720 CA 1.285 26 residues pruned to eliminate duplicates Z: 45 29.618 2.081 0.579 0.505 0.977 0.636 CB 1.383 45 residues pruned to eliminate duplicates Z: 34 31.191 2.117 0.692 0.529 0.970 0.758 CA 1.518 34 residues pruned to eliminate duplicates Z: 41 28.248 2.033 0.589 0.566 0.925 0.625 CA 1.402 41 residues pruned to eliminate duplicates Z: 24 24.162 2.096 0.610 0.633 0.957 0.696 CA 1.378 24 residues pruned to eliminate duplicates Z: 54 38.329 2.113 0.577 0.587 1.000 0.679 CB 1.454 54 residues pruned to eliminate duplicates Z: 54 35.260 2.103 0.594 0.572 0.925 0.623 CB 1.458 54 residues pruned to eliminate duplicates Z: 59 32.678 2.042 0.591 0.457 0.931 0.534 CA 1.481 59 residues pruned to eliminate duplicates Z: 43 31.174 2.027 0.650 0.470 0.952 0.476 CA 1.556 43 residues pruned to eliminate duplicates Z: 43 31.698 2.126 0.664 0.512 0.929 0.643 CB 1.472 43 residues pruned to eliminate duplicates Z: 54 40.427 2.099 0.618 0.597 0.981 0.642 CB 1.519 54 residues pruned to eliminate duplicates Z: 68 36.104 2.049 0.700 0.459 0.881 0.582 CB 1.500 68 residues pruned to eliminate duplicates Z: 78 41.199 2.066 0.653 0.500 0.935 0.597 CB 1.471 78 residues pruned to eliminate duplicates Z: 45 32.940 2.129 0.626 0.508 0.955 0.591 CB 1.490 45 residues pruned to eliminate duplicates Z: 36 29.423 2.082 0.640 0.531 0.971 0.543 CA 1.455 36 residues pruned to eliminate duplicates Z: 51 35.306 2.096 0.598 0.546 0.940 0.740 CA 1.517 51 residues pruned to eliminate duplicates Z: 37 31.712 2.135 0.608 0.537 0.944 0.583 CB 1.571 37 residues pruned to eliminate duplicates Z: 44 35.079 2.136 0.687 0.510 0.977 0.535 CB 1.506 44 residues pruned to eliminate duplicates Z: 59 32.594 2.035 0.714 0.451 0.862 0.569 CA 1.497 59 residues pruned to eliminate duplicates Z: 57 36.942 2.073 0.610 0.560 0.964 0.643 CB 1.448 57 residues pruned to eliminate duplicates Z: 42 24.349 2.006 0.570 0.499 0.902 0.561 CB 1.340 42 residues pruned to eliminate duplicates Z: 57 37.070 2.115 0.653 0.559 0.911 0.589 CB 1.469 57 residues pruned to eliminate duplicates Z: 79 43.980 2.064 0.704 0.512 0.936 0.615 CA 1.495 79 residues pruned to eliminate duplicates Z: 62 37.498 2.098 0.622 0.550 0.951 0.623 CB 1.413 62 residues pruned to eliminate duplicates Z: 78 38.214 2.026 0.701 0.482 0.909 0.545 CA 1.415 78 residues pruned to eliminate duplicates Z: 38 23.463 2.009 0.501 0.487 0.919 0.541 CB 1.411 38 residues pruned to eliminate duplicates Z: 68 36.884 2.026 0.738 0.448 0.925 0.522 CA 1.459 68 residues pruned to eliminate duplicates Z: 80 40.984 2.050 0.671 0.516 0.911 0.620 CA 1.454 80 residues pruned to eliminate duplicates Z: 23 20.679 1.998 0.575 0.630 0.864 0.545 CB 1.435 23 residues pruned to eliminate duplicates Z: 11 11.351 2.036 0.687 0.565 0.900 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 124 54.020 2.019 0.740 0.561 0.902 0.545 CB 1.448 124 residues pruned to eliminate duplicates Z: 55 39.426 2.093 0.609 0.602 0.981 0.685 CB 1.474 55 residues pruned to eliminate duplicates Z: 15 16.495 1.921 0.748 0.580 0.857 0.643 CB 1.418 15 residues pruned to eliminate duplicates Z: 58 39.780 2.092 0.689 0.546 0.947 0.649 CB 1.505 58 residues pruned to eliminate duplicates Z: 59 36.994 2.092 0.631 0.551 0.931 0.655 CA 1.455 59 residues pruned to eliminate duplicates Z: 96 43.929 2.036 0.631 0.562 0.895 0.505 CA 1.428 96 residues pruned to eliminate duplicates Z: 15 9.992 2.043 0.188 0.487 0.786 0.500 CA 1.418 15 residues pruned to eliminate duplicates Z: 17 13.584 2.041 0.575 0.523 0.812 0.562 CB 1.271 17 residues pruned to eliminate duplicates Z: 17 17.207 2.071 0.762 0.577 0.875 0.625 CB 1.251 17 residues pruned to eliminate duplicates Z: 55 41.140 2.097 0.760 0.580 0.944 0.574 CA 1.487 55 residues pruned to eliminate duplicates Z: 23 22.053 2.047 0.756 0.571 0.909 0.636 CB 1.344 23 residues pruned to eliminate duplicates Z: 62 38.785 2.094 0.754 0.559 0.918 0.672 CB 1.390 62 residues pruned to eliminate duplicates Z: 58 37.474 2.095 0.701 0.551 0.912 0.649 CB 1.453 58 residues pruned to eliminate duplicates Z: 85 42.052 2.052 0.714 0.464 0.905 0.548 CA 1.495 85 residues pruned to eliminate duplicates Z: 61 39.980 2.094 0.744 0.559 0.950 0.567 CB 1.405 61 residues pruned to eliminate duplicates Z: 8 3.951 1.859 0.706 0.366 0.714 0.571 CB 0.761 8 residues pruned to eliminate duplicates Z: 62 28.267 1.987 0.493 0.558 0.852 0.525 CA 1.353 62 residues pruned to eliminate duplicates Z: 84 40.408 2.065 0.604 0.512 0.880 0.506 CA 1.506 84 residues pruned to eliminate duplicates Z: 6 5.380 1.962 0.560 0.644 0.800 0.800 CB 0.859 6 residues pruned to eliminate duplicates Z: 10 5.958 1.835 0.386 0.538 0.778 0.556 CB 0.967 10 residues pruned to eliminate duplicates Z: 91 49.627 2.077 0.739 0.539 0.911 0.567 CA 1.530 91 residues pruned to eliminate duplicates Z: 110 47.516 2.042 0.591 0.554 0.899 0.550 CA 1.478 110 residues pruned to eliminate duplicates Z: 79 42.509 2.092 0.599 0.574 0.897 0.615 CB 1.493 79 residues pruned to eliminate duplicates Z: 27 17.821 1.948 0.412 0.615 0.885 0.615 CA 1.288 27 residues pruned to eliminate duplicates Z: 44 35.166 2.068 0.724 0.614 0.930 0.628 CA 1.452 44 residues pruned to eliminate duplicates Z: 17 24.448 2.150 0.625 0.744 1.000 0.750 CA 1.406 17 residues pruned to eliminate duplicates Z: 80 47.170 2.084 0.754 0.596 0.899 0.608 CB 1.473 80 residues pruned to eliminate duplicates Z: 42 33.550 2.083 0.757 0.642 0.878 0.561 CA 1.428 42 residues pruned to eliminate duplicates Z: 18 23.581 2.024 0.703 0.737 0.882 0.529 CA 1.520 18 residues pruned to eliminate duplicates Z: 53 33.254 2.021 0.694 0.587 0.846 0.423 CA 1.464 53 residues pruned to eliminate duplicates Z: 89 36.078 1.970 0.616 0.514 0.830 0.511 CA 1.436 89 residues pruned to eliminate duplicates Z: 45 36.302 2.056 0.791 0.625 0.909 0.500 CA 1.454 45 residues pruned to eliminate duplicates Z: 52 37.865 1.999 0.852 0.621 0.863 0.412 CA 1.480 52 residues pruned to eliminate duplicates Z: 27 23.140 1.901 0.758 0.634 0.885 0.423 CB 1.353 27 residues pruned to eliminate duplicates Z: 47 31.238 1.997 0.781 0.578 0.848 0.391 CA 1.417 47 residues pruned to eliminate duplicates Z: 50 39.520 2.060 0.867 0.609 0.857 0.510 CA 1.544 50 residues pruned to eliminate duplicates Z: 79 37.947 2.002 0.703 0.522 0.846 0.474 CB 1.456 79 residues pruned to eliminate duplicates Z: 66 41.344 2.030 0.825 0.592 0.862 0.431 CA 1.471 66 residues pruned to eliminate duplicates Z: 50 36.071 2.029 0.866 0.619 0.816 0.571 CA 1.490 50 residues pruned to eliminate duplicates Z: 42 40.521 2.106 0.940 0.641 0.927 0.415 CA 1.465 42 residues pruned to eliminate duplicates Z: 63 32.649 1.953 0.719 0.495 0.903 0.516 CA 1.375 63 residues pruned to eliminate duplicates Z: 50 33.747 2.053 0.663 0.623 0.857 0.531 CA 1.467 50 residues pruned to eliminate duplicates Z: 83 35.320 1.976 0.640 0.554 0.817 0.439 CA 1.397 83 residues pruned to eliminate duplicates Z: 41 29.054 2.023 0.720 0.546 0.925 0.525 CA 1.364 41 residues pruned to eliminate duplicates Z: 22 16.391 1.942 0.719 0.339 0.857 0.476 CA 1.489 22 residues pruned to eliminate duplicates Z: 55 33.969 2.043 0.681 0.537 0.870 0.500 CA 1.490 55 residues pruned to eliminate duplicates Z: 58 36.106 2.006 0.769 0.556 0.860 0.439 CA 1.485 58 residues pruned to eliminate duplicates Z: 37 28.332 2.052 0.697 0.509 0.917 0.556 CA 1.466 37 residues pruned to eliminate duplicates Z: 63 38.603 2.020 0.801 0.535 0.903 0.532 CA 1.441 63 residues pruned to eliminate duplicates Z: 47 33.344 2.014 0.768 0.614 0.891 0.522 CA 1.391 47 residues pruned to eliminate duplicates Z: 48 35.591 2.014 0.915 0.553 0.936 0.532 CA 1.365 48 residues pruned to eliminate duplicates Z: 45 31.350 2.051 0.733 0.606 0.886 0.500 CA 1.356 45 residues pruned to eliminate duplicates Z: 23 20.250 1.990 0.668 0.615 0.864 0.636 CA 1.351 23 residues pruned to eliminate duplicates Z: 32 20.481 1.886 0.773 0.494 0.871 0.452 CA 1.271 32 residues pruned to eliminate duplicates Z: 88 41.566 2.002 0.736 0.558 0.862 0.575 CA 1.406 88 residues pruned to eliminate duplicates Z: 42 34.526 2.080 0.747 0.635 0.878 0.537 CA 1.489 42 residues pruned to eliminate duplicates Z: 11 18.075 2.019 0.902 0.702 0.800 0.400 CB 1.548 11 residues pruned to eliminate duplicates Z: 51 33.541 2.008 0.803 0.545 0.860 0.520 CA 1.459 51 residues pruned to eliminate duplicates Z: 27 21.228 2.022 0.636 0.533 0.846 0.462 CA 1.440 27 residues pruned to eliminate duplicates Z: 50 37.462 2.017 0.861 0.611 0.918 0.490 CA 1.397 50 residues pruned to eliminate duplicates Z: 10 26.893 2.086 1.598 0.811 0.889 0.444 CA 1.419 10 residues pruned to eliminate duplicates Z: 24 13.785 1.837 0.371 0.516 0.870 0.435 CA 1.292 24 residues pruned to eliminate duplicates Z: 53 31.762 1.993 0.596 0.559 0.942 0.500 CA 1.387 53 residues pruned to eliminate duplicates Z: 45 32.596 2.054 0.661 0.585 0.932 0.659 CA 1.424 45 residues pruned to eliminate duplicates Z: 31 15.563 1.803 0.513 0.517 0.833 0.433 CB 1.229 31 residues pruned to eliminate duplicates Z: 51 28.674 1.979 0.637 0.510 0.880 0.540 CA 1.408 51 residues pruned to eliminate duplicates Z: 21 16.442 1.837 0.654 0.614 0.900 0.600 CA 1.207 21 residues pruned to eliminate duplicates Z: 10 8.678 1.718 0.347 0.550 1.000 0.889 CA 1.190 10 residues pruned to eliminate duplicates Z: 9 7.130 1.739 0.409 0.484 0.875 0.625 CA 1.195 9 residues pruned to eliminate duplicates Z: 36 25.014 1.970 0.688 0.492 0.914 0.543 CA 1.402 36 residues pruned to eliminate duplicates Z: 37 24.765 2.026 0.620 0.493 0.917 0.667 CA 1.381 37 residues pruned to eliminate duplicates Z: 6 8.434 1.938 0.430 0.592 1.000 0.600 CA 1.247 6 residues pruned to eliminate duplicates Z: 36 25.301 2.042 0.729 0.473 0.914 0.543 CA 1.361 36 residues pruned to eliminate duplicates Z: 35 25.066 2.036 0.624 0.480 0.941 0.676 CA 1.410 35 residues pruned to eliminate duplicates Z: 34 24.517 2.067 0.665 0.471 0.939 0.727 CA 1.360 34 residues pruned to eliminate duplicates Z: 29 24.380 2.061 0.712 0.477 0.929 0.571 CA 1.440 29 residues pruned to eliminate duplicates Z: 29 25.992 2.069 0.758 0.495 0.929 0.607 CA 1.462 29 residues pruned to eliminate duplicates Z: 23 19.923 1.987 0.729 0.549 0.909 0.591 CA 1.297 23 residues pruned to eliminate duplicates Z: 37 24.910 2.024 0.626 0.489 0.917 0.611 CA 1.391 37 residues pruned to eliminate duplicates Z: 23 17.021 1.966 0.663 0.534 0.909 0.682 CA 1.181 23 residues pruned to eliminate duplicates Z: 42 18.018 1.844 0.630 0.401 0.878 0.585 CA 1.183 42 residues pruned to eliminate duplicates Z: 30 21.144 2.022 0.582 0.461 0.897 0.655 CA 1.426 30 residues pruned to eliminate duplicates Z: 32 22.995 1.967 0.709 0.460 0.871 0.677 CA 1.469 32 residues pruned to eliminate duplicates Z: 36 23.086 2.020 0.637 0.472 0.914 0.600 CA 1.328 36 residues pruned to eliminate duplicates Z: 38 20.286 1.955 0.556 0.432 0.865 0.649 CA 1.361 38 residues pruned to eliminate duplicates Z: 36 22.651 2.016 0.564 0.465 0.943 0.571 CA 1.334 36 residues pruned to eliminate duplicates Z: 38 22.108 1.991 0.640 0.463 0.865 0.541 CA 1.337 38 residues pruned to eliminate duplicates Z: 38 21.764 2.001 0.529 0.430 0.919 0.757 CA 1.368 38 residues pruned to eliminate duplicates Z: 43 22.113 1.921 0.625 0.439 0.905 0.619 CA 1.286 43 residues pruned to eliminate duplicates Z: 36 22.476 2.010 0.663 0.462 0.914 0.714 CA 1.293 36 residues pruned to eliminate duplicates Z: 13 14.167 2.132 0.598 0.373 1.000 0.667 CA 1.376 13 residues pruned to eliminate duplicates Z: 68 30.193 1.970 0.635 0.491 0.881 0.582 CA 1.312 68 residues pruned to eliminate duplicates Z: 38 20.560 1.950 0.630 0.486 0.865 0.568 CA 1.247 38 residues pruned to eliminate duplicates Z: 71 31.394 1.926 0.632 0.524 0.900 0.614 CA 1.295 70 residues pruned to eliminate duplicates Z: 10 11.744 1.700 0.755 0.663 1.000 0.667 CA 1.128 10 residues pruned to eliminate duplicates Z: 36 23.365 2.011 0.671 0.489 0.914 0.657 CA 1.300 36 residues pruned to eliminate duplicates Z: 37 16.400 1.916 0.411 0.452 0.944 0.667 CA 1.124 37 residues pruned to eliminate duplicates Z: 28 17.899 2.005 0.555 0.500 0.963 0.741 CA 1.148 28 residues pruned to eliminate duplicates Z: 35 19.784 2.000 0.579 0.426 0.912 0.529 CA 1.273 35 residues pruned to eliminate duplicates Z: 22 21.319 2.072 0.862 0.516 0.952 0.762 CA 1.247 22 residues pruned to eliminate duplicates Z: 43 25.201 1.977 0.672 0.516 0.905 0.524 CA 1.280 43 residues pruned to eliminate duplicates Z: 33 24.036 1.923 0.700 0.552 0.906 0.625 CA 1.363 33 residues pruned to eliminate duplicates Z: 44 21.880 1.915 0.549 0.521 0.907 0.651 CA 1.215 44 residues pruned to eliminate duplicates Z: 25 13.177 1.788 0.537 0.586 0.792 0.542 CB 1.138 25 residues pruned to eliminate duplicates Z: 27 16.751 1.789 0.706 0.548 0.846 0.462 CB 1.213 27 residues pruned to eliminate duplicates Z: 12 8.693 1.706 0.728 0.691 0.818 0.455 CB 0.912 12 residues pruned to eliminate duplicates Z: 41 22.229 1.828 0.574 0.550 0.925 0.600 CB 1.258 41 residues pruned to eliminate duplicates Z: 29 13.524 1.749 0.647 0.495 0.786 0.464 CB 1.135 29 residues pruned to eliminate duplicates Z: 68 29.672 1.898 0.573 0.515 0.851 0.448 CB 1.406 68 residues pruned to eliminate duplicates Z: 22 19.580 1.866 0.679 0.605 0.952 0.571 CB 1.297 22 residues pruned to eliminate duplicates Z: 32 18.441 1.803 0.609 0.508 0.903 0.548 CB 1.253 32 residues pruned to eliminate duplicates Z: 26 14.093 1.742 0.571 0.552 0.880 0.600 CB 1.112 26 residues pruned to eliminate duplicates Z: 43 25.275 1.842 0.466 0.658 0.929 0.548 CB 1.344 43 residues pruned to eliminate duplicates Z: 28 18.386 1.910 0.564 0.568 0.852 0.556 CA 1.302 28 residues pruned to eliminate duplicates Z: 39 24.947 1.937 0.594 0.485 0.921 0.579 CA 1.445 39 residues pruned to eliminate duplicates Z: 27 14.748 1.773 0.646 0.529 0.885 0.423 CB 1.089 27 residues pruned to eliminate duplicates Z: 26 20.117 2.012 0.576 0.547 0.840 0.640 CA 1.443 26 residues pruned to eliminate duplicates Z: 25 16.657 1.996 0.407 0.554 0.792 0.667 CA 1.450 25 residues pruned to eliminate duplicates Z: 47 23.195 1.794 0.587 0.548 0.848 0.565 CB 1.352 47 residues pruned to eliminate duplicates Z: 65 31.888 1.941 0.476 0.577 0.922 0.688 CA 1.402 69 residues pruned to eliminate duplicates Z: 6 6.759 1.475 0.683 0.416 1.000 0.600 O 1.329 Z: 17 19.806 1.896 0.751 0.686 0.875 0.625 CA 1.438 17 residues pruned to eliminate duplicates Z: 40 27.911 1.961 0.615 0.647 0.897 0.564 CA 1.371 40 residues pruned to eliminate duplicates Z: 24 26.207 2.011 0.592 0.625 1.000 0.652 CA 1.517 24 residues pruned to eliminate duplicates Z: 26 23.365 1.963 0.588 0.625 0.920 0.680 CA 1.448 26 residues pruned to eliminate duplicates Z: 30 24.524 1.919 0.750 0.566 0.862 0.483 CA 1.475 30 residues pruned to eliminate duplicates Z: 42 26.011 1.869 0.633 0.583 0.878 0.439 CB 1.400 42 residues pruned to eliminate duplicates Z: 40 27.106 1.871 0.679 0.631 0.897 0.410 CB 1.361 40 residues pruned to eliminate duplicates Z: 27 20.369 1.914 0.690 0.533 0.846 0.538 CA 1.413 27 residues pruned to eliminate duplicates Z: 42 27.589 1.960 0.571 0.594 0.927 0.488 CA 1.380 42 residues pruned to eliminate duplicates Z: 29 23.923 1.899 0.668 0.554 0.929 0.464 CB 1.459 29 residues pruned to eliminate duplicates Z: 41 22.909 1.892 0.506 0.489 0.875 0.350 CB 1.468 41 residues pruned to eliminate duplicates Z: 45 21.990 1.859 0.664 0.429 0.818 0.295 CA 1.410 45 residues pruned to eliminate duplicates Z: 42 22.570 1.922 0.535 0.449 0.854 0.463 CA 1.474 42 residues pruned to eliminate duplicates Z: 27 20.999 1.940 0.574 0.568 0.846 0.423 CA 1.492 27 residues pruned to eliminate duplicates Z: 53 24.610 1.807 0.662 0.467 0.846 0.519 CA 1.389 53 residues pruned to eliminate duplicates Z: 28 20.184 1.871 0.694 0.501 0.852 0.259 CA 1.437 28 residues pruned to eliminate duplicates Z: 57 24.517 1.857 0.587 0.493 0.821 0.393 CA 1.364 57 residues pruned to eliminate duplicates Z: 67 33.209 1.904 0.604 0.588 0.894 0.439 CB 1.376 67 residues pruned to eliminate duplicates Z: 73 31.376 1.902 0.601 0.562 0.875 0.417 CB 1.306 73 residues pruned to eliminate duplicates Z: 25 15.336 1.906 0.354 0.454 0.917 0.500 CA 1.387 25 residues pruned to eliminate duplicates Z: 41 22.841 1.935 0.452 0.554 0.950 0.675 CB 1.283 41 residues pruned to eliminate duplicates Z: 34 17.037 1.840 0.346 0.443 0.909 0.545 CA 1.398 34 residues pruned to eliminate duplicates Z: 46 20.210 1.909 0.279 0.538 0.911 0.489 CB 1.305 46 residues pruned to eliminate duplicates Z: 33 17.303 1.957 0.334 0.510 0.844 0.625 CB 1.375 33 residues pruned to eliminate duplicates Z: 26 21.284 1.991 0.373 0.620 0.960 0.480 CA 1.447 26 residues pruned to eliminate duplicates Z: 25 19.294 1.975 0.341 0.608 0.958 0.583 CA 1.401 25 residues pruned to eliminate duplicates Z: 31 18.907 1.951 0.390 0.497 0.933 0.567 CA 1.368 31 residues pruned to eliminate duplicates Z: 27 22.225 2.002 0.475 0.597 0.962 0.577 CA 1.399 27 residues pruned to eliminate duplicates Z: 20 24.773 2.034 0.653 0.669 0.947 0.737 CA 1.526 20 residues pruned to eliminate duplicates Z: 46 19.710 1.914 0.396 0.532 0.822 0.489 CB 1.296 46 residues pruned to eliminate duplicates Z: 17 14.812 1.889 0.723 0.533 0.875 0.625 CA 1.258 17 residues pruned to eliminate duplicates Z: 25 20.675 1.920 0.583 0.625 0.917 0.458 CB 1.347 25 residues pruned to eliminate duplicates Z: 62 29.211 1.915 0.522 0.538 0.902 0.410 CB 1.371 62 residues pruned to eliminate duplicates Z: 14 22.397 2.003 0.867 0.700 0.923 0.615 CA 1.500 14 residues pruned to eliminate duplicates Z: 19 18.738 1.990 0.581 0.622 0.889 0.556 CA 1.408 19 residues pruned to eliminate duplicates Z: 93 41.713 2.007 0.642 0.529 0.902 0.576 CB 1.421 85 residues pruned to eliminate duplicates Z: 15 17.770 1.977 0.508 0.753 1.000 0.786 CA 1.272 15 residues pruned to eliminate duplicates Z: 55 28.492 1.944 0.571 0.544 0.870 0.370 CB 1.397 46 residues pruned to eliminate duplicates Z: 6 2.893 1.377 0.681 0.195 0.800 0.600 CA 1.005 6 residues pruned to eliminate duplicates Z: 13 9.423 1.922 0.500 0.610 0.917 0.833 CB 0.927 13 residues pruned to eliminate duplicates Z: 78 33.319 1.930 0.504 0.565 0.935 0.519 CB 1.313 78 residues pruned to eliminate duplicates Z: 15 6.563 1.799 0.359 0.460 0.929 0.714 CB 0.805 15 residues pruned to eliminate duplicates Z: 7 3.884 1.856 -0.139 0.676 1.000 1.000 CB 0.844 7 residues pruned to eliminate duplicates Z: 14 9.593 1.880 0.545 0.600 0.846 0.692 CB 0.984 14 residues pruned to eliminate duplicates Z: 12 7.471 1.885 0.332 0.541 0.909 0.727 CB 0.947 12 residues pruned to eliminate duplicates Z: 14 7.733 1.841 0.547 0.504 0.923 0.615 CB 0.812 14 residues pruned to eliminate duplicates 963 residues left after pruning, divided into chains as follows: A: 7 B: 63 C: 8 D: 6 E: 9 F: 19 G: 6 H: 9 I: 12 J: 95 K: 9 L: 56 M: 62 N: 75 O: 94 P: 7 Q: 66 R: 140 S: 206 T: 7 U: 7 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 50.80 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.373, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.518, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.526, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.536, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.539, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.543, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.544, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.546, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.546, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5598 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1261 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 35.224 2.171 0.955 0.893 1.000 0.571 CA 1.592 B: 13 25.331 2.212 0.813 0.908 1.000 0.500 CB 1.295 13 residues pruned to eliminate duplicates C: 15 27.889 2.057 0.813 0.852 1.000 0.643 CA 1.479 D: 13 21.350 2.082 0.696 0.809 0.917 0.417 CA 1.456 13 residues pruned to eliminate duplicates E: 12 15.713 2.021 0.465 0.926 0.909 0.818 CB 1.234 F: 14 28.206 2.164 0.673 0.858 1.000 0.462 CB 1.592 14 residues pruned to eliminate duplicates G: 15 28.573 2.147 0.662 0.877 1.000 0.429 CB 1.554 15 residues pruned to eliminate duplicates H: 17 20.633 2.038 0.431 0.865 1.000 0.688 CA 1.296 I: 14 27.460 2.087 0.837 0.926 1.000 0.692 CA 1.392 16 residues pruned to eliminate duplicates J: 14 24.817 2.159 0.636 0.835 0.923 0.385 CA 1.581 14 residues pruned to eliminate duplicates K: 16 19.008 2.053 0.471 0.813 0.867 0.667 CA 1.428 L: 15 29.962 2.150 0.757 0.916 1.000 0.643 CA 1.497 15 residues pruned to eliminate duplicates M: 13 26.910 2.112 0.598 0.888 1.000 0.833 CA 1.658 N: 14 21.876 2.022 0.564 0.923 0.923 0.846 CB 1.461 O: 14 27.219 2.098 0.830 0.875 1.000 0.692 CA 1.430 14 residues pruned to eliminate duplicates P: 13 19.255 2.112 0.165 0.867 1.000 0.917 CB 1.652 Q: 12 35.661 2.247 1.187 0.909 1.000 0.727 CB 1.553 12 residues pruned to eliminate duplicates R: 14 29.139 2.080 0.760 0.900 1.000 0.846 CA 1.576 14 residues pruned to eliminate duplicates S: 15 24.057 1.936 0.814 0.905 0.857 0.714 CB 1.520 14 residues pruned to eliminate duplicates T: 14 20.999 1.959 0.516 0.915 1.000 0.769 CB 1.386 U: 15 23.152 2.110 0.493 0.869 1.000 0.786 CA 1.434 15 residues pruned to eliminate duplicates V: 14 32.484 2.188 0.805 0.869 1.000 0.846 CA 1.667 15 residues pruned to eliminate duplicates W: 11 12.200 2.098 -0.203 0.908 1.000 1.000 CB 1.638 11 residues pruned to eliminate duplicates X: 18 25.517 2.009 0.658 0.874 0.941 0.588 CA 1.437 Y: 17 26.040 2.108 0.774 0.906 1.000 0.625 CA 1.239 Z: 15 21.843 2.049 0.670 0.834 0.929 0.857 CA 1.378 15 residues pruned to eliminate duplicates Z: 13 23.287 2.150 0.370 0.887 1.000 0.583 CA 1.644 13 residues pruned to eliminate duplicates Z: 13 23.598 2.137 0.484 0.872 1.000 0.833 CA 1.565 13 residues pruned to eliminate duplicates Z: 16 21.652 2.047 0.310 0.913 1.000 0.867 CA 1.475 Z: 13 18.869 2.076 0.264 0.826 0.917 0.583 CB 1.707 13 residues pruned to eliminate duplicates Z: 17 20.995 1.994 0.543 0.833 0.875 0.688 CA 1.463 17 residues pruned to eliminate duplicates Z: 13 22.033 2.117 0.496 0.920 0.917 0.833 CA 1.543 13 residues pruned to eliminate duplicates Z: 17 22.429 1.959 0.682 0.847 1.000 0.812 CA 1.263 16 residues pruned to eliminate duplicates Z: 15 20.062 1.924 0.438 0.878 1.000 0.929 CA 1.407 15 residues pruned to eliminate duplicates Z: 11 11.541 1.905 0.540 0.891 1.000 0.800 CA 0.894 Z: 14 26.103 2.184 0.746 0.858 0.923 0.846 CA 1.514 13 residues pruned to eliminate duplicates Z: 12 18.864 1.986 0.675 0.898 1.000 0.818 CA 1.224 Z: 14 19.686 2.017 0.350 0.892 1.000 0.846 CA 1.440 14 residues pruned to eliminate duplicates Z: 13 17.241 2.028 0.221 0.911 1.000 0.750 CB 1.425 13 residues pruned to eliminate duplicates Z: 12 12.546 1.682 0.898 0.800 0.818 0.636 CA 1.115 Z: 15 15.524 1.967 0.129 0.812 1.000 0.714 CA 1.423 15 residues pruned to eliminate duplicates Z: 12 25.981 2.098 0.948 0.879 0.909 0.818 CB 1.528 12 residues pruned to eliminate duplicates Z: 16 18.680 1.844 0.605 0.863 1.000 0.400 CB 1.196 16 residues pruned to eliminate duplicates Z: 14 22.668 2.106 0.522 0.894 1.000 0.769 CA 1.406 14 residues pruned to eliminate duplicates Z: 9 18.574 2.036 0.930 0.914 1.000 0.750 CB 1.182 Z: 17 31.242 2.136 0.795 0.913 0.938 0.500 CA 1.538 17 residues pruned to eliminate duplicates Z: 11 23.957 2.027 0.800 0.901 1.000 0.700 CA 1.481 11 residues pruned to eliminate duplicates Z: 11 21.988 2.264 0.280 0.933 1.000 0.900 CB 1.675 11 residues pruned to eliminate duplicates Z: 14 14.217 1.871 0.491 0.760 1.000 0.538 CA 1.122 Z: 11 15.365 1.714 0.778 0.917 0.900 0.900 CA 1.251 11 residues pruned to eliminate duplicates Z: 16 21.545 2.012 0.580 0.861 1.000 0.733 CA 1.285 17 residues pruned to eliminate duplicates Z: 15 16.128 1.913 0.385 0.916 1.000 0.714 CB 1.149 Z: 16 23.820 2.174 0.563 0.878 0.933 0.667 CA 1.407 16 residues pruned to eliminate duplicates Z: 13 20.296 2.156 0.178 0.916 1.000 0.833 CA 1.629 13 residues pruned to eliminate duplicates Z: 16 30.657 2.151 0.947 0.897 1.000 0.867 CA 1.353 17 residues pruned to eliminate duplicates Z: 19 14.754 1.962 0.625 0.418 1.000 0.611 CB 1.188 Z: 15 17.466 1.929 0.295 0.829 1.000 0.857 CA 1.406 14 residues pruned to eliminate duplicates Z: 14 21.565 1.940 0.772 0.851 0.846 0.769 CB 1.522 14 residues pruned to eliminate duplicates Z: 13 21.438 2.022 0.545 0.860 1.000 0.833 CA 1.457 Z: 14 18.257 1.954 0.454 0.816 0.923 0.615 CA 1.467 14 residues pruned to eliminate duplicates Z: 10 22.603 2.187 0.789 0.903 0.889 0.778 CA 1.545 10 residues pruned to eliminate duplicates Z: 14 26.457 2.117 0.591 0.841 1.000 0.231 CB 1.624 14 residues pruned to eliminate duplicates Z: 9 9.241 1.844 0.662 0.435 0.875 0.750 CB 1.303 Z: 10 12.414 1.961 0.703 0.919 1.000 1.000 CA 0.873 10 residues pruned to eliminate duplicates Z: 13 19.182 1.844 0.781 0.885 1.000 0.667 CA 1.217 13 residues pruned to eliminate duplicates Z: 13 30.189 2.163 0.969 0.933 0.917 0.250 CB 1.558 13 residues pruned to eliminate duplicates Z: 13 15.928 1.971 0.427 0.856 0.917 0.583 CB 1.316 13 residues pruned to eliminate duplicates Z: 18 23.966 2.030 0.584 0.870 0.941 0.588 CA 1.402 18 residues pruned to eliminate duplicates Z: 12 20.827 2.163 0.489 0.898 0.909 0.727 CB 1.533 12 residues pruned to eliminate duplicates Z: 14 13.696 1.917 0.198 0.908 1.000 0.846 CA 1.175 14 residues pruned to eliminate duplicates Z: 15 33.196 2.125 0.892 0.899 1.000 0.714 CA 1.578 16 residues pruned to eliminate duplicates Z: 16 16.663 1.970 0.197 0.869 1.000 0.867 CA 1.333 16 residues pruned to eliminate duplicates Z: 15 26.208 2.109 0.691 0.876 1.000 0.786 CA 1.427 15 residues pruned to eliminate duplicates Z: 14 27.811 2.138 0.874 0.897 0.923 0.385 CB 1.492 14 residues pruned to eliminate duplicates Z: 14 19.786 2.093 0.445 0.879 1.000 0.923 CA 1.316 14 residues pruned to eliminate duplicates Z: 16 14.369 1.912 0.166 0.890 1.000 0.933 CA 1.197 Z: 13 20.667 1.983 0.773 0.870 1.000 0.500 CA 1.238 13 residues pruned to eliminate duplicates Z: 13 18.014 1.986 0.311 0.937 1.000 0.750 CB 1.389 13 residues pruned to eliminate duplicates Z: 13 25.532 2.086 0.749 0.919 1.000 0.833 CA 1.423 Z: 12 18.649 2.020 0.508 0.896 1.000 0.818 CA 1.323 12 residues pruned to eliminate duplicates Z: 10 10.223 2.020 0.009 0.844 1.000 0.889 CA 1.245 10 residues pruned to eliminate duplicates Z: 10 11.831 2.024 0.066 0.844 1.000 0.778 CA 1.359 10 residues pruned to eliminate duplicates Z: 14 18.685 1.894 0.422 0.917 1.000 0.769 CA 1.359 12 residues pruned to eliminate duplicates Z: 15 30.788 2.183 0.873 0.878 1.000 0.786 CA 1.461 15 residues pruned to eliminate duplicates Z: 16 31.957 2.197 0.774 0.919 0.933 0.533 CA 1.598 17 residues pruned to eliminate duplicates Z: 14 17.600 2.035 0.256 0.869 0.923 0.769 CB 1.512 14 residues pruned to eliminate duplicates Z: 11 17.909 1.924 0.583 0.904 1.000 0.800 CA 1.325 11 residues pruned to eliminate duplicates Z: 18 21.860 1.946 0.698 0.782 0.882 0.588 CA 1.419 18 residues pruned to eliminate duplicates Z: 24 11.694 1.740 0.455 0.425 0.826 0.652 CB 1.260 Z: 13 19.918 1.922 0.830 0.755 1.000 0.667 CA 1.302 Z: 13 19.356 2.013 0.725 0.840 0.917 0.583 CA 1.310 13 residues pruned to eliminate duplicates Z: 14 21.964 2.030 0.694 0.899 0.923 0.769 CA 1.372 13 residues pruned to eliminate duplicates Z: 6 9.436 1.723 0.710 0.852 1.000 0.800 CA 1.059 Z: 13 13.930 2.022 0.542 0.823 0.750 0.583 CB 1.300 13 residues pruned to eliminate duplicates Z: 15 19.376 2.059 0.306 0.890 1.000 0.786 CA 1.386 15 residues pruned to eliminate duplicates Z: 17 24.007 2.104 0.676 0.896 0.938 0.562 CA 1.301 17 residues pruned to eliminate duplicates Z: 12 21.726 2.106 0.486 0.910 0.909 0.636 CA 1.633 12 residues pruned to eliminate duplicates Z: 14 17.288 1.886 0.707 0.743 0.923 0.615 CA 1.298 14 residues pruned to eliminate duplicates Z: 16 37.645 2.216 0.929 0.932 1.000 0.667 CA 1.587 17 residues pruned to eliminate duplicates Z: 13 16.236 2.109 0.023 0.897 1.000 0.833 CA 1.555 13 residues pruned to eliminate duplicates Z: 53 34.351 1.993 0.712 0.579 0.942 0.500 CB 1.373 13 residues pruned to eliminate duplicates Z: 12 16.023 1.768 0.899 0.815 0.818 0.727 CA 1.337 12 residues pruned to eliminate duplicates Z: 14 16.625 1.854 0.505 0.810 1.000 0.769 CA 1.261 14 residues pruned to eliminate duplicates Z: 13 19.384 1.925 0.934 0.848 1.000 0.667 CB 1.115 9 residues pruned to eliminate duplicates Z: 31 20.313 1.935 0.566 0.505 0.933 0.400 CB 1.306 Z: 16 18.093 2.091 0.470 0.845 0.867 0.600 CA 1.304 16 residues pruned to eliminate duplicates Z: 37 22.711 1.993 0.469 0.486 0.944 0.472 CB 1.389 18 residues pruned to eliminate duplicates Z: 12 15.022 2.160 0.127 0.881 0.909 0.818 CB 1.483 12 residues pruned to eliminate duplicates Z: 14 18.830 2.062 0.390 0.880 0.923 0.692 CB 1.431 13 residues pruned to eliminate duplicates Z: 13 16.083 1.812 0.301 0.894 1.000 0.667 CA 1.413 Z: 94 35.797 1.973 0.466 0.540 0.882 0.548 CA 1.401 52 residues pruned to eliminate duplicates Z: 16 28.911 2.212 0.478 0.873 1.000 0.600 CA 1.664 16 residues pruned to eliminate duplicates Z: 67 37.486 2.050 0.461 0.640 0.939 0.712 CB 1.439 67 residues pruned to eliminate duplicates Z: 6 9.584 1.980 0.567 0.724 1.000 0.600 CA 1.128 Z: 10 20.988 1.979 1.260 0.888 1.000 0.444 CB 1.127 15 residues pruned to eliminate duplicates Z: 13 13.514 1.991 0.106 0.936 1.000 0.750 CA 1.234 13 residues pruned to eliminate duplicates Z: 10 21.706 2.179 0.617 0.935 1.000 0.778 CB 1.431 10 residues pruned to eliminate duplicates Z: 16 33.865 2.240 0.732 0.915 1.000 0.800 CA 1.593 16 residues pruned to eliminate duplicates Z: 12 9.130 1.699 0.169 0.854 1.000 0.909 CA 1.024 Z: 17 25.438 2.106 0.809 0.882 0.812 0.438 CB 1.486 17 residues pruned to eliminate duplicates Z: 17 16.449 1.927 0.456 0.763 0.875 0.750 CA 1.327 17 residues pruned to eliminate duplicates Z: 6 9.812 1.966 0.522 0.571 1.000 0.400 CB 1.369 Z: 34 20.906 2.026 0.587 0.505 0.909 0.606 CB 1.239 6 residues pruned to eliminate duplicates Z: 13 12.753 1.657 0.520 0.860 1.000 0.583 CA 1.075 12 residues pruned to eliminate duplicates Z: 11 7.964 1.696 0.578 0.429 0.900 0.800 CB 1.126 Z: 13 21.414 1.893 0.554 0.922 1.000 0.667 CB 1.478 15 residues pruned to eliminate duplicates Z: 21 30.555 2.064 0.794 0.733 1.000 0.800 CA 1.497 21 residues pruned to eliminate duplicates Z: 14 11.996 1.843 0.380 0.771 0.846 0.692 CA 1.216 10 residues pruned to eliminate duplicates Z: 6 8.450 1.840 0.103 0.742 1.000 0.600 CA 1.499 6 residues pruned to eliminate duplicates Z: 14 15.553 1.903 0.449 0.881 1.000 0.538 CB 1.133 14 residues pruned to eliminate duplicates Z: 14 18.118 1.944 0.621 0.793 0.923 0.692 CA 1.337 13 residues pruned to eliminate duplicates Z: 13 17.704 1.984 0.800 0.908 0.917 0.750 CB 1.109 15 residues pruned to eliminate duplicates Z: 56 32.614 1.971 0.725 0.474 0.909 0.600 CA 1.460 34 residues pruned to eliminate duplicates Z: 12 18.906 2.088 0.475 0.827 0.909 0.545 CA 1.534 13 residues pruned to eliminate duplicates Z: 13 16.635 1.983 0.661 0.760 0.917 0.583 CA 1.263 13 residues pruned to eliminate duplicates Z: 7 7.810 1.897 0.248 0.839 1.000 1.000 CB 1.006 Z: 17 23.906 2.114 0.589 0.866 0.938 0.875 CA 1.390 17 residues pruned to eliminate duplicates Z: 11 10.738 1.675 0.851 0.813 0.800 0.700 CA 1.042 11 residues pruned to eliminate duplicates Z: 14 19.444 1.939 0.485 0.901 1.000 1.000 CA 1.337 14 residues pruned to eliminate duplicates Z: 11 16.621 2.074 0.551 0.857 0.800 0.800 CB 1.505 11 residues pruned to eliminate duplicates Z: 12 17.007 1.857 0.283 0.931 1.000 1.000 CA 1.504 12 residues pruned to eliminate duplicates Z: 55 30.805 2.035 0.418 0.586 0.926 0.630 CB 1.445 52 residues pruned to eliminate duplicates Z: 67 36.718 1.989 0.570 0.638 0.939 0.712 CB 1.354 73 residues pruned to eliminate duplicates Z: 54 33.771 2.005 0.597 0.571 0.943 0.472 CB 1.434 33 residues pruned to eliminate duplicates Z: 11 12.788 1.805 0.852 0.748 0.700 0.400 CB 1.385 11 residues pruned to eliminate duplicates Z: 12 21.247 2.156 0.476 0.881 1.000 0.818 CA 1.458 12 residues pruned to eliminate duplicates Z: 16 20.580 2.036 0.282 0.892 1.000 0.867 CA 1.463 16 residues pruned to eliminate duplicates Z: 15 23.972 1.837 0.880 0.833 1.000 0.643 CA 1.391 15 residues pruned to eliminate duplicates Z: 8 9.563 1.872 0.392 0.833 0.857 0.714 CA 1.214 Z: 16 28.740 2.194 0.775 0.909 1.000 0.533 CA 1.353 16 residues pruned to eliminate duplicates Z: 11 20.402 2.083 0.552 0.936 1.000 0.800 CA 1.389 11 residues pruned to eliminate duplicates Z: 44 25.266 1.992 0.604 0.496 0.953 0.605 CA 1.270 35 residues pruned to eliminate duplicates Z: 12 17.752 2.042 0.322 0.891 1.000 0.818 CB 1.426 12 residues pruned to eliminate duplicates Z: 12 19.642 2.046 0.640 0.906 1.000 0.727 CA 1.255 12 residues pruned to eliminate duplicates Z: 8 10.829 1.830 0.544 0.507 1.000 0.714 CA 1.439 Z: 16 24.085 2.167 0.606 0.894 1.000 0.867 CA 1.282 16 residues pruned to eliminate duplicates Z: 14 15.034 2.034 0.182 0.918 1.000 0.923 CA 1.222 14 residues pruned to eliminate duplicates Z: 16 28.188 2.144 0.813 0.903 1.000 0.533 CA 1.335 16 residues pruned to eliminate duplicates Z: 33 12.758 1.885 0.303 0.360 0.812 0.500 CB 1.315 16 residues pruned to eliminate duplicates Z: 17 28.154 1.992 0.661 0.888 1.000 0.750 CA 1.533 17 residues pruned to eliminate duplicates Z: 16 15.490 1.917 0.391 0.870 1.000 0.933 CA 1.095 16 residues pruned to eliminate duplicates Z: 9 13.559 1.962 0.556 0.904 1.000 1.000 CB 1.118 9 residues pruned to eliminate duplicates Z: 18 13.700 1.829 0.577 0.521 0.941 0.706 CA 1.199 19 residues pruned to eliminate duplicates Z: 12 17.807 1.996 0.393 0.906 1.000 0.818 CA 1.373 12 residues pruned to eliminate duplicates Z: 12 16.250 1.902 0.514 0.919 0.909 0.727 CA 1.318 12 residues pruned to eliminate duplicates Z: 43 31.217 2.025 0.681 0.529 0.976 0.643 CA 1.409 43 residues pruned to eliminate duplicates Z: 17 20.922 1.958 0.787 0.742 0.875 0.562 CA 1.376 15 residues pruned to eliminate duplicates Z: 14 11.947 1.847 0.420 0.884 0.923 0.846 CA 0.989 14 residues pruned to eliminate duplicates Z: 16 26.422 2.174 0.460 0.923 1.000 1.000 CA 1.510 16 residues pruned to eliminate duplicates Z: 15 7.520 1.698 0.241 0.407 0.929 0.500 CA 1.132 Z: 10 6.763 1.799 0.912 0.380 0.667 0.667 CB 1.117 10 residues pruned to eliminate duplicates Z: 8 12.355 1.729 0.541 0.849 1.000 0.857 CB 1.299 Z: 9 6.633 1.763 0.528 0.327 1.000 0.500 CB 1.053 9 residues pruned to eliminate duplicates Z: 17 26.761 1.948 0.631 0.871 1.000 0.688 CB 1.536 17 residues pruned to eliminate duplicates Z: 18 28.164 2.032 0.843 0.854 0.941 0.529 CA 1.431 17 residues pruned to eliminate duplicates Z: 13 25.367 2.173 0.787 0.897 1.000 0.750 CB 1.350 13 residues pruned to eliminate duplicates Z: 12 21.897 2.059 0.666 0.936 1.000 0.909 CB 1.340 11 residues pruned to eliminate duplicates Z: 16 20.085 2.017 0.606 0.792 0.933 0.533 CA 1.328 16 residues pruned to eliminate duplicates Z: 12 25.003 2.185 0.708 0.900 0.909 0.455 CB 1.587 12 residues pruned to eliminate duplicates Z: 13 24.764 1.991 0.780 0.824 1.000 0.667 CA 1.523 13 residues pruned to eliminate duplicates Z: 12 16.536 2.053 0.362 0.891 1.000 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 14 25.234 2.018 0.827 0.934 1.000 0.769 CA 1.324 14 residues pruned to eliminate duplicates Z: 11 10.330 1.762 0.951 0.773 0.900 0.500 CB 0.830 11 residues pruned to eliminate duplicates Z: 16 17.210 2.146 0.311 0.880 1.000 0.600 CA 1.145 16 residues pruned to eliminate duplicates Z: 30 25.727 2.036 0.657 0.477 0.966 0.621 CB 1.502 13 residues pruned to eliminate duplicates Z: 13 22.004 1.957 0.742 0.898 1.000 0.583 CB 1.333 13 residues pruned to eliminate duplicates Z: 13 18.029 1.997 0.494 0.929 1.000 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 54 25.433 1.832 0.561 0.536 0.887 0.472 CB 1.330 14 residues pruned to eliminate duplicates Z: 29 21.002 1.931 0.581 0.617 0.964 0.679 CA 1.207 11 residues pruned to eliminate duplicates Z: 17 20.865 2.041 0.297 0.885 1.000 0.562 CA 1.422 18 residues pruned to eliminate duplicates Z: 11 11.631 1.899 0.420 0.901 1.000 0.600 CB 0.973 Z: 9 15.105 1.956 0.768 0.900 1.000 1.000 CB 1.103 9 residues pruned to eliminate duplicates Z: 9 11.168 1.867 0.742 0.789 0.875 0.750 CA 1.076 9 residues pruned to eliminate duplicates Z: 51 30.226 1.971 0.623 0.547 0.900 0.480 CB 1.418 37 residues pruned to eliminate duplicates Z: 17 24.151 1.975 0.689 0.823 0.938 0.688 CA 1.459 17 residues pruned to eliminate duplicates Z: 18 23.380 2.051 0.543 0.813 0.941 0.706 CA 1.450 18 residues pruned to eliminate duplicates Z: 17 18.168 1.877 0.546 0.877 1.000 0.812 CA 1.137 17 residues pruned to eliminate duplicates Z: 14 8.515 1.811 0.617 0.315 0.769 0.385 CA 1.286 7 residues pruned to eliminate duplicates Z: 14 18.114 2.010 0.352 0.903 1.000 0.846 CA 1.318 14 residues pruned to eliminate duplicates Z: 9 11.829 1.944 0.511 0.858 1.000 0.750 CB 1.048 9 residues pruned to eliminate duplicates Z: 7 10.544 1.766 0.368 0.887 1.000 0.833 CB 1.286 7 residues pruned to eliminate duplicates Z: 24 18.600 2.016 0.512 0.575 0.870 0.522 CB 1.360 18 residues pruned to eliminate duplicates Z: 13 21.834 1.804 0.899 0.895 1.000 0.500 CB 1.319 13 residues pruned to eliminate duplicates Z: 56 34.485 2.075 0.581 0.575 0.909 0.600 CB 1.450 55 residues pruned to eliminate duplicates Z: 14 21.285 1.968 0.746 0.916 0.923 0.692 CA 1.314 14 residues pruned to eliminate duplicates Z: 29 28.025 2.026 0.665 0.567 0.964 0.393 CA 1.526 29 residues pruned to eliminate duplicates Z: 15 24.489 2.242 0.399 0.884 1.000 0.857 CA 1.508 15 residues pruned to eliminate duplicates Z: 30 20.295 2.037 0.493 0.592 0.931 0.655 CA 1.219 28 residues pruned to eliminate duplicates Z: 9 10.430 1.997 0.050 0.713 1.000 0.750 CA 1.449 6 residues pruned to eliminate duplicates Z: 27 12.753 1.915 0.383 0.380 0.769 0.423 CB 1.395 27 residues pruned to eliminate duplicates Z: 48 27.452 2.035 0.586 0.548 0.894 0.660 CB 1.325 47 residues pruned to eliminate duplicates Z: 18 10.686 1.887 0.553 0.275 0.882 0.588 CB 1.294 18 residues pruned to eliminate duplicates Z: 14 18.103 1.819 0.887 0.893 0.923 0.769 CA 1.138 14 residues pruned to eliminate duplicates Z: 9 11.278 1.955 0.153 0.897 1.000 1.000 CA 1.266 9 residues pruned to eliminate duplicates Z: 14 12.410 1.741 0.336 0.921 0.923 0.769 CB 1.129 14 residues pruned to eliminate duplicates Z: 12 5.413 1.742 0.021 0.397 0.818 0.455 CA 1.251 Z: 52 23.159 1.916 0.592 0.440 0.882 0.549 CB 1.282 52 residues pruned to eliminate duplicates Z: 38 24.819 1.961 0.579 0.513 0.973 0.595 CB 1.337 37 residues pruned to eliminate duplicates Z: 8 5.441 1.934 -0.001 0.672 1.000 0.714 CB 0.908 8 residues pruned to eliminate duplicates Z: 16 27.271 2.177 0.506 0.896 1.000 0.533 CA 1.538 17 residues pruned to eliminate duplicates Z: 26 16.477 1.952 0.652 0.384 0.880 0.600 CB 1.313 26 residues pruned to eliminate duplicates Z: 10 17.729 1.888 0.757 0.869 1.000 0.667 CB 1.301 9 residues pruned to eliminate duplicates Z: 10 16.625 1.822 1.044 0.893 1.000 0.667 CB 1.068 10 residues pruned to eliminate duplicates Z: 17 8.705 1.836 0.578 0.262 0.812 0.438 CA 1.213 17 residues pruned to eliminate duplicates Z: 16 27.485 2.159 0.761 0.876 1.000 0.733 CA 1.356 16 residues pruned to eliminate duplicates Z: 50 27.020 1.989 0.584 0.501 0.898 0.551 CA 1.363 52 residues pruned to eliminate duplicates Z: 13 20.948 1.938 0.790 0.757 1.000 0.667 CA 1.387 12 residues pruned to eliminate duplicates Z: 15 8.908 1.883 0.215 0.662 0.857 0.786 CB 1.045 7 residues pruned to eliminate duplicates Z: 16 24.520 2.018 0.669 0.797 0.933 0.533 CA 1.552 17 residues pruned to eliminate duplicates Z: 6 9.206 1.773 0.518 0.800 1.000 1.000 CA 1.178 6 residues pruned to eliminate duplicates Z: 15 27.829 2.094 0.844 0.864 1.000 0.643 CA 1.412 13 residues pruned to eliminate duplicates Z: 12 14.529 1.902 0.660 0.906 1.000 1.000 CA 0.987 12 residues pruned to eliminate duplicates Z: 6 7.011 1.655 0.078 0.835 1.000 0.800 N 1.317 6 residues pruned to eliminate duplicates Z: 8 7.248 1.819 0.184 0.812 0.857 0.429 CA 1.131 8 residues pruned to eliminate duplicates Z: 15 22.781 2.211 0.480 0.889 1.000 0.929 CA 1.339 15 residues pruned to eliminate duplicates Z: 7 8.096 1.965 0.240 0.600 1.000 0.667 CB 1.234 7 residues pruned to eliminate duplicates Z: 15 22.162 2.013 0.733 0.820 0.857 0.500 CA 1.500 15 residues pruned to eliminate duplicates Z: 57 28.347 1.942 0.628 0.554 0.839 0.554 CA 1.355 49 residues pruned to eliminate duplicates Z: 13 16.918 1.846 0.249 0.918 1.000 0.750 CA 1.493 13 residues pruned to eliminate duplicates Z: 35 22.967 1.993 0.626 0.479 0.941 0.676 CA 1.319 14 residues pruned to eliminate duplicates Z: 11 11.609 1.770 0.683 0.503 0.900 0.800 CA 1.365 11 residues pruned to eliminate duplicates Z: 11 24.568 2.124 0.570 0.871 1.000 0.800 CA 1.700 10 residues pruned to eliminate duplicates Z: 15 20.379 2.030 0.417 0.921 1.000 0.857 CA 1.332 15 residues pruned to eliminate duplicates Z: 21 28.580 2.093 0.801 0.734 0.950 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 52 29.886 2.035 0.657 0.537 0.922 0.627 CA 1.298 52 residues pruned to eliminate duplicates Z: 15 22.982 1.996 0.971 0.881 0.929 0.714 CA 1.218 14 residues pruned to eliminate duplicates Z: 15 13.450 1.714 0.596 0.881 0.929 0.714 CB 1.025 15 residues pruned to eliminate duplicates Z: 34 22.519 1.939 0.694 0.543 0.909 0.727 CA 1.259 34 residues pruned to eliminate duplicates Z: 10 9.838 1.832 0.534 0.460 0.889 0.778 CB 1.367 10 residues pruned to eliminate duplicates Z: 14 22.263 2.111 0.376 0.945 1.000 1.000 CA 1.471 14 residues pruned to eliminate duplicates Z: 35 23.658 1.917 0.608 0.519 0.941 0.471 CB 1.373 19 residues pruned to eliminate duplicates Z: 27 18.616 1.817 0.530 0.564 0.923 0.808 CA 1.336 27 residues pruned to eliminate duplicates Z: 16 24.877 2.018 0.787 0.920 0.933 0.600 CA 1.344 16 residues pruned to eliminate duplicates Z: 15 23.430 2.206 0.408 0.895 1.000 0.714 CA 1.444 15 residues pruned to eliminate duplicates Z: 16 25.677 2.175 0.739 0.904 1.000 0.867 CA 1.249 16 residues pruned to eliminate duplicates Z: 76 33.006 1.975 0.581 0.557 0.853 0.493 CB 1.353 76 residues pruned to eliminate duplicates Z: 9 12.060 1.961 0.458 0.909 1.000 0.875 CB 1.058 9 residues pruned to eliminate duplicates Z: 11 12.598 1.831 0.396 0.890 1.000 0.800 CB 1.121 11 residues pruned to eliminate duplicates Z: 14 18.936 1.821 0.700 0.926 1.000 0.692 CA 1.190 14 residues pruned to eliminate duplicates Z: 15 29.181 2.094 0.761 0.872 1.000 0.357 CA 1.541 26 residues pruned to eliminate duplicates Z: 11 14.590 1.925 0.283 0.918 0.900 0.800 CA 1.463 11 residues pruned to eliminate duplicates Z: 12 20.929 1.952 0.986 0.917 1.000 0.636 CB 1.149 12 residues pruned to eliminate duplicates Z: 15 11.186 1.514 0.687 0.767 0.929 0.500 CB 0.995 15 residues pruned to eliminate duplicates Z: 9 16.108 2.040 1.040 0.893 1.000 1.000 CB 0.982 9 residues pruned to eliminate duplicates Z: 8 5.866 1.724 0.230 0.739 0.857 0.286 CA 0.984 8 residues pruned to eliminate duplicates Z: 15 19.503 1.885 0.678 0.916 1.000 0.786 CB 1.163 16 residues pruned to eliminate duplicates Z: 21 13.584 1.780 0.596 0.573 0.900 0.750 CA 1.108 11 residues pruned to eliminate duplicates Z: 11 20.201 1.972 0.599 0.919 0.900 0.600 CA 1.586 11 residues pruned to eliminate duplicates Z: 11 15.984 1.893 0.783 0.820 1.000 0.600 CA 1.134 11 residues pruned to eliminate duplicates Z: 12 20.424 2.026 0.786 0.881 0.909 0.364 CA 1.355 12 residues pruned to eliminate duplicates Z: 12 8.997 1.786 0.484 0.452 0.818 0.545 CB 1.314 Z: 10 17.163 1.892 0.926 0.832 0.889 0.778 CA 1.326 10 residues pruned to eliminate duplicates Z: 10 4.626 1.743 0.216 0.293 0.667 0.556 CA 1.376 10 residues pruned to eliminate duplicates Z: 9 7.004 1.677 0.139 0.855 0.875 0.750 CA 1.094 9 residues pruned to eliminate duplicates Z: 15 30.106 2.196 0.662 0.910 1.000 0.714 CA 1.564 15 residues pruned to eliminate duplicates Z: 8 9.077 1.937 0.699 0.602 0.857 0.429 CA 1.104 8 residues pruned to eliminate duplicates Z: 14 16.524 1.821 0.620 0.807 0.923 0.462 CA 1.287 14 residues pruned to eliminate duplicates Z: 68 35.292 2.017 0.536 0.591 0.910 0.612 CB 1.401 68 residues pruned to eliminate duplicates Z: 59 32.674 2.009 0.615 0.505 0.931 0.586 CA 1.413 59 residues pruned to eliminate duplicates Z: 13 19.342 2.028 0.770 0.912 0.917 0.667 CB 1.202 13 residues pruned to eliminate duplicates Z: 14 25.936 1.979 0.959 0.914 1.000 0.462 CA 1.313 15 residues pruned to eliminate duplicates Z: 16 27.059 2.019 0.800 0.898 1.000 0.600 CA 1.376 16 residues pruned to eliminate duplicates Z: 12 18.288 1.834 0.418 0.876 1.000 0.818 CB 1.541 12 residues pruned to eliminate duplicates Z: 9 13.628 2.038 0.722 0.826 1.000 0.875 CB 1.036 9 residues pruned to eliminate duplicates Z: 10 8.017 1.857 0.301 0.572 0.778 0.667 CA 1.326 10 residues pruned to eliminate duplicates Z: 13 21.619 1.928 0.985 0.912 1.000 0.667 CB 1.155 13 residues pruned to eliminate duplicates Z: 6 5.817 1.858 0.351 0.469 0.800 0.400 CA 1.336 6 residues pruned to eliminate duplicates Z: 9 8.688 1.712 0.649 0.489 0.875 0.750 CA 1.258 9 residues pruned to eliminate duplicates Z: 15 12.354 1.856 0.805 0.627 0.786 0.571 CB 1.113 15 residues pruned to eliminate duplicates Z: 10 10.104 1.729 0.103 0.879 1.000 0.778 CA 1.280 10 residues pruned to eliminate duplicates Z: 12 24.708 1.958 1.092 0.907 0.909 0.364 CA 1.422 12 residues pruned to eliminate duplicates Z: 25 11.934 1.672 0.573 0.411 0.833 0.542 CA 1.221 21 residues pruned to eliminate duplicates Z: 38 24.626 2.054 0.576 0.467 0.919 0.649 CB 1.408 38 residues pruned to eliminate duplicates Z: 7 2.729 1.469 0.157 0.509 0.833 0.667 CB 0.780 Z: 15 20.609 1.902 0.817 0.855 1.000 0.714 CB 1.176 15 residues pruned to eliminate duplicates Z: 8 10.301 1.682 0.624 0.739 0.857 0.429 N 1.342 8 residues pruned to eliminate duplicates Z: 10 7.460 1.893 0.301 0.424 0.778 0.556 CA 1.404 10 residues pruned to eliminate duplicates Z: 12 16.666 1.892 0.728 0.845 0.909 0.545 CA 1.257 12 residues pruned to eliminate duplicates Z: 20 15.587 1.821 0.550 0.606 1.000 0.842 CA 1.145 21 residues pruned to eliminate duplicates Z: 14 27.101 2.037 0.848 0.916 0.923 0.692 CA 1.528 14 residues pruned to eliminate duplicates Z: 8 5.569 1.664 0.220 0.858 0.857 0.714 CA 0.891 8 residues pruned to eliminate duplicates Z: 14 27.092 2.021 0.961 0.936 1.000 0.769 CA 1.320 14 residues pruned to eliminate duplicates Z: 11 17.033 1.876 0.655 0.893 1.000 0.900 CB 1.244 11 residues pruned to eliminate duplicates Z: 40 29.049 2.068 0.592 0.499 0.949 0.538 CB 1.492 40 residues pruned to eliminate duplicates Z: 43 38.588 2.079 0.916 0.656 0.905 0.548 CB 1.429 32 residues pruned to eliminate duplicates Z: 13 17.165 1.892 0.505 0.823 1.000 0.667 CA 1.316 13 residues pruned to eliminate duplicates Z: 17 29.263 2.152 0.859 0.895 0.875 0.750 CA 1.498 17 residues pruned to eliminate duplicates Z: 15 4.262 1.564 0.269 0.225 0.786 0.286 CB 1.008 7 residues pruned to eliminate duplicates Z: 20 15.255 1.904 0.462 0.543 0.895 0.632 CB 1.347 20 residues pruned to eliminate duplicates Z: 8 11.885 1.783 0.672 0.846 1.000 0.571 CA 1.120 8 residues pruned to eliminate duplicates Z: 16 7.696 1.764 0.258 0.391 0.733 0.533 CB 1.370 16 residues pruned to eliminate duplicates Z: 12 17.786 1.944 0.296 0.923 1.000 0.818 CA 1.496 12 residues pruned to eliminate duplicates Z: 11 24.083 2.034 0.904 0.920 1.000 0.200 CA 1.385 11 residues pruned to eliminate duplicates Z: 6 7.410 1.701 0.439 0.737 1.000 0.600 CA 1.094 6 residues pruned to eliminate duplicates Z: 11 17.846 1.866 0.796 0.880 1.000 0.900 CB 1.220 11 residues pruned to eliminate duplicates Z: 13 13.259 1.845 0.329 0.918 0.917 0.833 CA 1.200 13 residues pruned to eliminate duplicates Z: 15 13.447 1.901 0.185 0.796 0.929 0.643 CB 1.326 15 residues pruned to eliminate duplicates Z: 16 10.135 1.843 0.479 0.370 0.933 0.667 CB 1.183 Z: 13 11.984 1.855 0.245 0.817 0.917 0.667 CA 1.240 13 residues pruned to eliminate duplicates Z: 13 29.005 2.007 0.900 0.942 1.000 0.833 CB 1.523 13 residues pruned to eliminate duplicates Z: 13 15.607 1.854 0.330 0.894 1.000 0.917 CA 1.310 13 residues pruned to eliminate duplicates Z: 14 21.686 1.912 0.849 0.819 1.000 0.923 CA 1.289 14 residues pruned to eliminate duplicates Z: 8 8.823 1.792 0.315 0.821 1.000 0.714 CB 1.071 Z: 18 17.929 1.944 0.611 0.447 0.941 0.706 CB 1.558 18 residues pruned to eliminate duplicates Z: 7 4.514 1.239 0.573 0.824 0.833 0.500 CB 0.857 7 residues pruned to eliminate duplicates Z: 13 18.361 1.970 0.579 0.865 0.917 0.667 CA 1.362 13 residues pruned to eliminate duplicates Z: 13 14.984 1.803 0.693 0.841 0.833 0.583 CA 1.269 13 residues pruned to eliminate duplicates Z: 8 5.044 1.695 0.519 0.308 0.714 0.429 CB 1.283 4 residues pruned to eliminate duplicates Z: 14 16.498 1.801 0.654 0.813 0.923 0.692 CA 1.268 14 residues pruned to eliminate duplicates Z: 15 18.568 1.824 0.870 0.751 0.929 0.429 CA 1.252 15 residues pruned to eliminate duplicates Z: 12 18.848 2.026 0.431 0.854 1.000 0.727 CB 1.448 12 residues pruned to eliminate duplicates Z: 9 4.871 1.427 0.556 0.846 0.625 0.500 CB 0.923 9 residues pruned to eliminate duplicates Z: 14 19.238 1.919 0.499 0.941 1.000 0.846 CB 1.287 14 residues pruned to eliminate duplicates Z: 13 14.956 2.010 0.118 0.830 1.000 0.750 CB 1.445 13 residues pruned to eliminate duplicates Z: 16 10.971 1.861 0.378 0.598 0.933 0.667 CB 1.078 15 residues pruned to eliminate duplicates Z: 11 10.813 1.729 0.313 0.793 0.900 0.600 CA 1.294 10 residues pruned to eliminate duplicates Z: 32 30.052 2.056 0.832 0.637 0.935 0.581 CA 1.348 32 residues pruned to eliminate duplicates Z: 6 5.875 1.725 0.185 0.748 0.800 0.800 CB 1.288 Z: 39 21.882 1.950 0.626 0.433 0.816 0.526 CA 1.470 39 residues pruned to eliminate duplicates Z: 17 21.364 2.014 0.720 0.834 0.938 0.875 CA 1.232 17 residues pruned to eliminate duplicates Z: 13 20.562 1.974 0.870 0.716 1.000 0.667 CA 1.322 13 residues pruned to eliminate duplicates Z: 6 7.193 1.422 1.211 0.740 1.000 0.600 CB 0.825 Z: 42 27.064 1.962 0.691 0.563 0.902 0.463 CA 1.328 33 residues pruned to eliminate duplicates Z: 12 13.457 1.998 0.645 0.825 0.727 0.273 CB 1.281 12 residues pruned to eliminate duplicates Z: 13 13.603 1.687 0.629 0.864 0.917 0.583 CB 1.143 13 residues pruned to eliminate duplicates Z: 7 7.506 1.635 0.201 0.860 1.000 0.667 CA 1.148 Z: 15 21.839 2.014 0.534 0.844 0.929 0.286 CB 1.513 15 residues pruned to eliminate duplicates Z: 12 26.644 2.010 0.912 0.917 1.000 0.364 CA 1.475 12 residues pruned to eliminate duplicates Z: 14 11.152 1.777 0.203 0.864 0.923 0.692 CA 1.150 14 residues pruned to eliminate duplicates Z: 9 6.636 1.610 0.303 0.842 1.000 0.750 CB 0.833 9 residues pruned to eliminate duplicates Z: 6 7.816 1.747 0.697 0.653 0.800 0.400 CA 1.278 6 residues pruned to eliminate duplicates Z: 6 7.266 1.635 0.347 0.809 1.000 0.600 CA 1.127 6 residues pruned to eliminate duplicates Z: 24 11.814 1.737 0.427 0.451 0.826 0.609 CB 1.264 16 residues pruned to eliminate duplicates Z: 6 5.908 1.642 0.337 0.820 1.000 0.800 CA 0.912 6 residues pruned to eliminate duplicates Z: 24 12.381 1.793 0.555 0.421 0.826 0.348 CB 1.217 24 residues pruned to eliminate duplicates Z: 16 22.380 2.023 0.588 0.915 0.867 0.600 CB 1.466 16 residues pruned to eliminate duplicates Z: 6 6.354 1.720 0.871 0.582 0.800 0.600 CB 1.020 6 residues pruned to eliminate duplicates Z: 14 22.844 1.782 1.178 0.883 1.000 0.769 CA 1.180 14 residues pruned to eliminate duplicates Z: 15 19.373 1.920 0.635 0.828 0.929 0.643 CB 1.337 15 residues pruned to eliminate duplicates Z: 34 19.123 1.908 0.566 0.464 0.879 0.394 CB 1.315 34 residues pruned to eliminate duplicates Z: 16 21.753 2.005 0.377 0.895 1.000 0.867 CB 1.458 16 residues pruned to eliminate duplicates Z: 9 7.674 1.768 0.690 0.523 1.000 0.625 CB 0.887 2 residues pruned to eliminate duplicates Z: 16 19.401 1.994 0.188 0.913 1.000 0.933 CA 1.496 20 residues pruned to eliminate duplicates Z: 62 32.111 1.987 0.662 0.519 0.934 0.656 CA 1.308 62 residues pruned to eliminate duplicates Z: 10 14.368 1.864 0.774 0.894 0.889 0.556 CB 1.169 10 residues pruned to eliminate duplicates Z: 6 7.478 1.689 0.414 0.751 1.000 0.800 CA 1.120 6 residues pruned to eliminate duplicates Z: 43 20.673 1.880 0.746 0.398 0.881 0.548 CB 1.228 41 residues pruned to eliminate duplicates Z: 65 36.388 2.027 0.515 0.629 0.953 0.719 CB 1.376 65 residues pruned to eliminate duplicates Z: 25 22.740 2.012 0.690 0.449 0.958 0.458 CB 1.501 25 residues pruned to eliminate duplicates Z: 44 29.151 2.053 0.661 0.596 0.907 0.605 CA 1.311 44 residues pruned to eliminate duplicates Z: 14 32.486 2.179 0.981 0.895 0.923 0.538 CA 1.621 14 residues pruned to eliminate duplicates Z: 7 14.409 1.973 0.776 0.644 1.000 0.667 CA 1.467 7 residues pruned to eliminate duplicates Z: 33 18.925 2.024 0.536 0.517 0.875 0.625 CB 1.210 33 residues pruned to eliminate duplicates Z: 9 10.656 1.791 0.613 0.620 0.875 0.750 CB 1.331 9 residues pruned to eliminate duplicates Z: 11 15.048 1.927 0.305 0.851 1.000 1.000 CB 1.401 11 residues pruned to eliminate duplicates Z: 18 17.803 1.922 0.376 0.784 1.000 0.765 CB 1.273 18 residues pruned to eliminate duplicates Z: 24 18.291 1.909 0.607 0.648 0.870 0.739 CB 1.245 24 residues pruned to eliminate duplicates Z: 8 5.111 1.803 0.448 0.400 0.714 0.571 CA 1.150 8 residues pruned to eliminate duplicates Z: 15 24.028 2.120 0.647 0.909 0.929 0.786 CA 1.406 15 residues pruned to eliminate duplicates Z: 12 16.210 2.037 0.483 0.883 0.909 0.727 CA 1.287 12 residues pruned to eliminate duplicates Z: 15 23.170 1.966 0.600 0.890 1.000 0.714 CB 1.416 15 residues pruned to eliminate duplicates Z: 14 18.036 1.821 0.718 0.819 0.923 0.462 CA 1.313 14 residues pruned to eliminate duplicates Z: 6 5.987 1.807 0.158 0.845 1.000 1.000 CB 0.951 6 residues pruned to eliminate duplicates Z: 12 5.357 1.746 0.476 0.257 0.636 0.273 CA 1.301 12 residues pruned to eliminate duplicates Z: 13 6.999 1.759 0.530 0.359 0.833 0.667 CB 1.049 13 residues pruned to eliminate duplicates Z: 38 21.801 1.963 0.657 0.471 0.865 0.595 CA 1.312 38 residues pruned to eliminate duplicates Z: 16 24.853 2.064 0.598 0.839 0.933 0.533 CA 1.557 16 residues pruned to eliminate duplicates Z: 8 5.167 1.734 0.489 0.380 0.714 0.429 N 1.204 8 residues pruned to eliminate duplicates Z: 13 16.836 1.883 0.454 0.893 1.000 0.667 CA 1.274 13 residues pruned to eliminate duplicates Z: 22 17.514 1.903 0.461 0.625 0.857 0.714 CB 1.426 22 residues pruned to eliminate duplicates Z: 29 19.679 1.999 0.756 0.511 0.857 0.464 CB 1.223 29 residues pruned to eliminate duplicates Z: 14 12.774 1.737 0.408 0.718 1.000 0.615 CA 1.189 14 residues pruned to eliminate duplicates Z: 12 14.074 2.148 0.720 0.324 1.000 0.909 CA 1.393 12 residues pruned to eliminate duplicates Z: 10 6.007 1.381 0.671 0.463 0.889 0.556 CA 1.014 Z: 16 8.448 1.886 0.427 0.592 0.800 0.667 CB 0.927 16 residues pruned to eliminate duplicates Z: 28 13.274 1.917 0.677 0.375 0.815 0.593 CA 1.114 28 residues pruned to eliminate duplicates Z: 8 6.764 1.669 0.009 0.881 1.000 0.857 CA 1.099 8 residues pruned to eliminate duplicates Z: 10 20.078 2.070 0.772 0.855 0.889 0.444 CB 1.515 12 residues pruned to eliminate duplicates Z: 13 4.611 1.684 0.240 0.275 0.833 0.500 CB 0.987 Z: 76 39.726 2.010 0.674 0.544 0.907 0.587 CB 1.440 76 residues pruned to eliminate duplicates Z: 46 20.873 1.771 0.710 0.505 0.844 0.556 CB 1.211 46 residues pruned to eliminate duplicates Z: 16 14.960 1.876 0.732 0.435 0.933 0.733 CB 1.362 16 residues pruned to eliminate duplicates Z: 8 7.654 1.576 0.269 0.785 1.000 0.714 O 1.125 Z: 18 17.049 1.842 0.624 0.757 0.941 0.824 CB 1.168 19 residues pruned to eliminate duplicates Z: 47 27.367 1.977 0.595 0.618 0.891 0.500 CB 1.284 47 residues pruned to eliminate duplicates Z: 11 16.459 1.868 0.620 0.869 1.000 0.700 CB 1.256 11 residues pruned to eliminate duplicates Z: 9 8.358 1.718 0.883 0.784 0.875 0.750 CA 0.814 9 residues pruned to eliminate duplicates Z: 30 22.128 1.982 0.556 0.548 0.897 0.690 CB 1.418 30 residues pruned to eliminate duplicates Z: 8 11.508 2.017 0.137 0.776 1.000 0.429 CB 1.485 8 residues pruned to eliminate duplicates 8 1.645 1.585 -0.069 0.201 0.714 0.429 CB 0.841 ? Z: 41 20.888 1.934 0.532 0.436 0.850 0.425 CA 1.401 48 residues pruned to eliminate duplicates Z: 16 7.240 1.776 0.419 0.268 0.867 0.467 CB 1.114 16 residues pruned to eliminate duplicates Z: 21 13.226 1.827 0.535 0.652 0.800 0.500 CB 1.145 21 residues pruned to eliminate duplicates Z: 15 18.363 1.809 0.718 0.786 0.929 0.429 CA 1.323 15 residues pruned to eliminate duplicates Z: 75 32.605 1.997 0.604 0.536 0.851 0.514 CB 1.341 75 residues pruned to eliminate duplicates Z: 8 3.649 1.777 0.507 0.497 0.714 0.714 CB 0.723 Z: 12 11.011 1.759 0.553 0.404 1.000 0.727 CA 1.345 11 residues pruned to eliminate duplicates Z: 15 12.521 1.906 0.520 0.372 1.000 0.786 CB 1.325 16 residues pruned to eliminate duplicates Z: 54 41.397 2.093 0.675 0.626 1.000 0.642 CA 1.441 58 residues pruned to eliminate duplicates Z: 15 14.362 1.728 0.606 0.790 1.000 0.500 CA 1.072 15 residues pruned to eliminate duplicates Z: 18 7.954 1.589 0.522 0.395 0.824 0.529 CB 1.082 Z: 17 14.337 1.824 0.608 0.871 0.812 0.375 CB 1.097 17 residues pruned to eliminate duplicates Z: 29 21.462 1.976 0.646 0.492 0.893 0.607 CA 1.407 30 residues pruned to eliminate duplicates Z: 13 19.386 1.930 1.059 0.741 0.917 0.583 CB 1.238 13 residues pruned to eliminate duplicates Z: 61 32.834 2.007 0.428 0.600 0.983 0.567 CB 1.368 61 residues pruned to eliminate duplicates Z: 14 18.440 1.966 0.453 0.871 1.000 0.769 CA 1.305 14 residues pruned to eliminate duplicates Z: 14 27.736 2.109 0.940 0.866 0.923 0.154 CB 1.491 14 residues pruned to eliminate duplicates Z: 61 32.443 1.954 0.674 0.474 0.950 0.617 CA 1.383 61 residues pruned to eliminate duplicates Z: 15 16.368 1.961 0.342 0.922 1.000 0.929 CA 1.169 15 residues pruned to eliminate duplicates Z: 7 6.712 1.762 0.219 0.690 0.833 0.500 CB 1.286 Z: 37 24.885 2.048 0.632 0.506 0.917 0.667 CA 1.346 37 residues pruned to eliminate duplicates Z: 8 5.323 1.662 0.262 0.872 1.000 0.286 CB 0.699 8 residues pruned to eliminate duplicates Z: 10 10.254 1.768 0.520 0.670 0.778 0.667 CB 1.397 10 residues pruned to eliminate duplicates Z: 8 9.565 1.788 0.417 0.798 1.000 0.857 CB 1.099 8 residues pruned to eliminate duplicates Z: 9 3.927 1.551 0.338 0.420 0.750 0.625 CB 0.970 8 residues pruned to eliminate duplicates Z: 55 38.047 2.070 0.671 0.607 0.944 0.685 CB 1.432 56 residues pruned to eliminate duplicates Z: 26 20.931 1.895 0.468 0.614 1.000 0.760 CA 1.351 39 residues pruned to eliminate duplicates Z: 12 20.452 2.183 0.358 0.901 0.909 0.818 CB 1.633 12 residues pruned to eliminate duplicates Z: 17 16.847 1.985 0.255 0.759 0.875 0.750 CA 1.535 17 residues pruned to eliminate duplicates Z: 7 5.318 1.687 0.419 0.681 0.833 0.833 CB 0.922 9 residues pruned to eliminate duplicates Z: 9 7.820 1.871 0.149 0.555 1.000 0.875 CA 1.219 9 residues pruned to eliminate duplicates Z: 11 13.438 1.829 0.644 0.891 0.800 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 18 17.701 1.962 0.482 0.623 1.000 0.824 CA 1.314 18 residues pruned to eliminate duplicates Z: 15 17.390 1.855 0.854 0.729 0.857 0.714 CA 1.283 15 residues pruned to eliminate duplicates Z: 15 23.616 1.961 0.837 0.879 0.929 0.857 CA 1.368 15 residues pruned to eliminate duplicates Z: 19 12.126 1.977 0.575 0.350 0.944 0.500 CB 1.144 19 residues pruned to eliminate duplicates Z: 13 18.223 1.890 0.597 0.907 1.000 0.833 CA 1.239 13 residues pruned to eliminate duplicates Z: 25 20.178 1.873 0.546 0.580 0.917 0.708 CA 1.437 25 residues pruned to eliminate duplicates Z: 44 24.248 1.913 0.640 0.525 0.837 0.558 CB 1.373 35 residues pruned to eliminate duplicates Z: 13 23.158 2.075 0.609 0.868 0.917 0.500 CA 1.597 13 residues pruned to eliminate duplicates Z: 9 7.308 1.676 0.082 0.839 1.000 0.750 CB 1.065 9 residues pruned to eliminate duplicates Z: 28 13.311 1.868 0.283 0.313 0.963 0.481 CB 1.365 28 residues pruned to eliminate duplicates Z: 12 12.312 1.752 0.421 0.853 1.000 0.727 CA 1.102 12 residues pruned to eliminate duplicates Z: 13 19.029 1.862 0.795 0.911 0.917 0.500 CA 1.271 13 residues pruned to eliminate duplicates Z: 13 22.352 1.877 0.857 0.793 1.000 0.750 CA 1.431 13 residues pruned to eliminate duplicates Z: 10 14.698 2.084 0.278 0.921 1.000 0.889 CA 1.295 10 residues pruned to eliminate duplicates Z: 11 4.124 1.597 0.248 0.448 0.700 0.500 CA 0.986 11 residues pruned to eliminate duplicates Z: 10 8.744 1.833 0.691 0.371 0.889 0.556 CB 1.214 10 residues pruned to eliminate duplicates Z: 14 23.425 1.853 0.955 0.858 1.000 0.692 CA 1.320 14 residues pruned to eliminate duplicates Z: 27 10.627 1.597 0.361 0.394 0.885 0.654 CA 1.213 28 residues pruned to eliminate duplicates Z: 10 15.925 1.928 0.536 0.934 1.000 1.000 CB 1.251 10 residues pruned to eliminate duplicates Z: 32 18.676 1.841 0.740 0.549 0.871 0.581 CA 1.146 32 residues pruned to eliminate duplicates Z: 10 9.254 1.703 0.746 0.811 0.889 0.889 CA 0.891 10 residues pruned to eliminate duplicates Z: 54 34.367 2.054 0.606 0.571 0.943 0.642 CB 1.416 54 residues pruned to eliminate duplicates Z: 15 24.266 2.085 0.681 0.887 1.000 0.500 CA 1.334 15 residues pruned to eliminate duplicates Z: 13 17.121 1.988 0.361 0.904 1.000 1.000 CA 1.300 13 residues pruned to eliminate duplicates Z: 28 18.453 1.850 0.669 0.524 0.889 0.630 CB 1.264 28 residues pruned to eliminate duplicates Z: 23 16.419 1.843 0.583 0.592 0.864 0.636 CA 1.272 23 residues pruned to eliminate duplicates Z: 14 11.137 1.570 0.538 0.783 0.923 0.692 CA 1.080 14 residues pruned to eliminate duplicates Z: 14 16.053 1.836 0.746 0.760 0.923 0.462 CA 1.193 14 residues pruned to eliminate duplicates Z: 11 11.993 1.599 0.932 0.703 1.000 0.700 CA 1.020 11 residues pruned to eliminate duplicates Z: 7 2.256 1.381 0.707 0.276 0.500 0.333 O 1.007 Z: 6 2.337 1.585 0.686 0.295 0.600 0.400 CB 0.820 Z: 65 37.462 2.032 0.586 0.601 0.953 0.703 CB 1.384 65 residues pruned to eliminate duplicates Z: 23 15.271 1.991 0.507 0.633 0.864 0.682 CA 1.108 23 residues pruned to eliminate duplicates Z: 64 34.491 2.012 0.433 0.626 0.952 0.667 CB 1.405 64 residues pruned to eliminate duplicates Z: 13 13.149 1.734 0.702 0.853 1.000 0.583 CB 0.951 13 residues pruned to eliminate duplicates Z: 13 11.910 1.710 0.606 0.818 0.917 0.750 CB 1.036 13 residues pruned to eliminate duplicates Z: 10 7.141 1.666 0.372 0.816 0.889 0.444 CB 0.890 10 residues pruned to eliminate duplicates Z: 25 11.449 1.781 0.350 0.562 0.833 0.542 CB 1.098 21 residues pruned to eliminate duplicates Z: 13 6.884 1.559 0.331 0.532 0.833 0.500 CB 1.113 11 residues pruned to eliminate duplicates Z: 13 20.934 1.920 0.820 0.780 1.000 0.500 CA 1.351 13 residues pruned to eliminate duplicates Z: 21 10.099 1.846 0.225 0.428 0.950 0.550 CB 1.133 21 residues pruned to eliminate duplicates Z: 6 3.075 1.554 0.466 0.223 0.800 0.400 O 1.043 6 residues pruned to eliminate duplicates Z: 13 13.496 1.692 0.472 0.903 1.000 0.917 CA 1.115 13 residues pruned to eliminate duplicates Z: 14 21.534 1.960 0.574 0.891 1.000 0.846 CA 1.391 14 residues pruned to eliminate duplicates Z: 15 30.137 2.144 0.783 0.932 1.000 0.714 CA 1.472 15 residues pruned to eliminate duplicates Z: 6 3.220 1.519 0.472 0.754 1.000 1.000 CA 0.514 6 residues pruned to eliminate duplicates Z: 28 20.425 2.025 0.451 0.499 0.889 0.667 CB 1.507 28 residues pruned to eliminate duplicates Z: 20 15.237 1.889 0.643 0.614 0.842 0.632 CA 1.200 29 residues pruned to eliminate duplicates Z: 6 6.086 1.795 0.635 0.575 1.000 0.400 CB 0.863 Z: 44 21.634 1.964 0.485 0.506 0.884 0.488 CB 1.272 44 residues pruned to eliminate duplicates Z: 62 34.504 1.976 0.673 0.562 0.951 0.639 CB 1.323 61 residues pruned to eliminate duplicates Z: 10 20.606 2.133 0.681 0.916 1.000 0.778 CB 1.352 Z: 23 15.430 1.922 0.461 0.575 0.818 0.636 CB 1.332 23 residues pruned to eliminate duplicates Z: 12 8.695 1.713 0.324 0.869 0.909 0.909 CB 0.929 12 residues pruned to eliminate duplicates Z: 62 29.043 2.013 0.657 0.507 0.902 0.590 CB 1.228 62 residues pruned to eliminate duplicates Z: 6 8.278 1.926 0.169 0.656 1.000 0.600 CB 1.423 6 residues pruned to eliminate duplicates Z: 15 8.962 1.914 0.302 0.321 1.000 0.500 CB 1.170 15 residues pruned to eliminate duplicates Z: 7 5.011 2.002 0.275 0.530 0.833 0.667 CA 0.934 7 residues pruned to eliminate duplicates Z: 20 26.235 2.101 0.783 0.713 0.895 0.526 CA 1.480 20 residues pruned to eliminate duplicates Z: 13 22.162 2.071 0.701 0.927 0.917 0.833 CA 1.389 13 residues pruned to eliminate duplicates Z: 6 9.892 1.706 1.076 0.870 1.000 0.800 CB 0.912 6 residues pruned to eliminate duplicates Z: 52 36.152 2.028 0.896 0.485 0.941 0.529 CA 1.420 52 residues pruned to eliminate duplicates Z: 62 31.170 1.960 0.602 0.531 0.885 0.508 CB 1.393 62 residues pruned to eliminate duplicates Z: 9 7.089 1.660 0.129 0.819 1.000 0.750 CB 1.014 9 residues pruned to eliminate duplicates Z: 17 8.215 1.748 0.495 0.246 0.875 0.375 CB 1.204 17 residues pruned to eliminate duplicates Z: 7 10.567 1.631 0.901 0.798 1.000 0.667 CA 1.072 7 residues pruned to eliminate duplicates Z: 11 12.929 1.774 0.399 0.842 1.000 0.900 CB 1.228 11 residues pruned to eliminate duplicates Z: 42 26.523 2.015 0.631 0.541 0.927 0.561 CA 1.306 42 residues pruned to eliminate duplicates Z: 15 20.500 1.964 0.781 0.890 0.857 0.571 CA 1.314 15 residues pruned to eliminate duplicates Z: 53 31.241 1.996 0.647 0.467 0.923 0.500 CA 1.476 53 residues pruned to eliminate duplicates Z: 64 36.427 2.032 0.471 0.644 0.952 0.683 CB 1.410 64 residues pruned to eliminate duplicates Z: 8 2.878 1.643 0.532 0.196 0.571 0.429 CB 1.087 Z: 15 15.156 1.822 0.118 0.829 1.000 0.857 CA 1.496 15 residues pruned to eliminate duplicates Z: 15 32.422 2.148 0.982 0.908 0.929 0.643 CA 1.557 15 residues pruned to eliminate duplicates Z: 7 2.473 1.674 0.465 0.363 0.667 0.667 CA 0.716 4 residues pruned to eliminate duplicates Z: 15 16.010 1.785 0.356 0.830 1.000 0.643 CA 1.329 15 residues pruned to eliminate duplicates Z: 15 19.178 1.744 0.637 0.927 1.000 0.714 CB 1.258 15 residues pruned to eliminate duplicates Z: 15 31.188 2.133 0.893 0.921 0.929 0.500 CA 1.564 15 residues pruned to eliminate duplicates Z: 8 8.841 1.857 0.347 0.857 0.857 0.857 CA 1.149 8 residues pruned to eliminate duplicates Z: 16 7.969 1.733 0.442 0.285 0.867 0.600 CB 1.211 14 residues pruned to eliminate duplicates Z: 14 17.829 1.975 0.622 0.820 0.846 0.769 CB 1.382 14 residues pruned to eliminate duplicates Z: 9 9.903 1.843 0.228 0.854 1.000 0.750 CB 1.142 9 residues pruned to eliminate duplicates Z: 6 10.439 1.880 0.627 0.874 1.000 0.800 CA 1.111 6 residues pruned to eliminate duplicates Z: 10 3.269 1.316 0.715 0.404 0.778 0.556 CB 0.686 Z: 16 19.512 1.977 0.443 0.884 0.867 0.533 CB 1.472 16 residues pruned to eliminate duplicates Z: 19 14.146 1.745 0.549 0.531 1.000 0.722 CB 1.196 22 residues pruned to eliminate duplicates Z: 12 24.530 2.176 0.600 0.912 0.909 0.636 CB 1.655 12 residues pruned to eliminate duplicates Z: 10 14.645 2.006 0.202 0.886 1.000 0.778 CA 1.461 10 residues pruned to eliminate duplicates Z: 7 3.400 1.431 0.992 0.363 0.667 0.500 N 0.847 Z: 13 17.518 1.850 0.704 0.803 0.917 0.583 CA 1.344 13 residues pruned to eliminate duplicates Z: 9 9.206 1.822 0.536 0.565 0.875 0.625 CA 1.248 9 residues pruned to eliminate duplicates Z: 31 24.718 1.960 0.750 0.494 0.933 0.467 CB 1.419 31 residues pruned to eliminate duplicates Z: 13 9.561 1.605 0.715 0.817 0.833 0.750 CB 0.914 13 residues pruned to eliminate duplicates Z: 15 17.697 1.759 0.663 0.831 1.000 0.500 CA 1.215 15 residues pruned to eliminate duplicates Z: 9 4.911 1.824 -0.152 0.504 1.000 0.375 N 1.117 9 residues pruned to eliminate duplicates Z: 10 16.397 2.091 0.488 0.903 1.000 0.667 CB 1.253 10 residues pruned to eliminate duplicates Z: 58 32.338 2.012 0.631 0.510 0.930 0.649 CB 1.390 68 residues pruned to eliminate duplicates Z: 11 10.136 1.738 0.462 0.883 1.000 0.600 CB 0.913 11 residues pruned to eliminate duplicates Z: 10 12.928 1.801 0.587 0.831 0.889 0.556 CA 1.274 10 residues pruned to eliminate duplicates Z: 12 14.994 1.854 0.246 0.934 1.000 0.818 CA 1.365 12 residues pruned to eliminate duplicates Z: 6 6.937 1.563 0.746 0.709 1.000 0.800 CA 0.940 Z: 6 6.762 1.824 0.485 0.614 1.000 0.800 CB 1.002 6 residues pruned to eliminate duplicates Z: 13 14.441 1.897 0.571 0.794 0.833 0.667 CB 1.297 13 residues pruned to eliminate duplicates Z: 12 14.209 1.806 0.402 0.915 1.000 0.909 CB 1.196 12 residues pruned to eliminate duplicates Z: 10 7.970 1.734 0.214 0.520 1.000 0.778 CA 1.238 10 residues pruned to eliminate duplicates Z: 48 32.924 2.038 0.754 0.600 0.894 0.468 CA 1.367 47 residues pruned to eliminate duplicates Z: 7 6.959 1.695 0.645 0.641 0.833 0.833 CB 1.071 7 residues pruned to eliminate duplicates Z: 17 21.960 2.028 1.060 0.835 0.875 0.500 CA 1.125 17 residues pruned to eliminate duplicates Z: 14 28.989 2.190 0.880 0.924 1.000 0.615 CB 1.372 14 residues pruned to eliminate duplicates Z: 10 10.719 1.723 0.419 0.867 1.000 0.778 CB 1.069 10 residues pruned to eliminate duplicates 6 1.273 1.318 0.430 0.417 0.800 0.400 CB 0.412 ? Z: 6 7.957 1.703 0.622 0.790 1.000 1.000 CA 0.998 6 residues pruned to eliminate duplicates Z: 11 9.617 1.681 0.518 0.907 1.000 0.900 CB 0.847 11 residues pruned to eliminate duplicates Z: 72 32.891 1.942 0.580 0.572 0.915 0.563 CB 1.296 72 residues pruned to eliminate duplicates Z: 13 27.263 2.210 0.554 0.892 1.000 0.833 CA 1.645 13 residues pruned to eliminate duplicates Z: 7 2.975 1.385 0.152 0.476 1.000 0.667 CA 0.780 Z: 36 22.298 2.031 0.492 0.459 0.943 0.514 CB 1.377 36 residues pruned to eliminate duplicates Z: 27 27.994 2.021 0.721 0.632 0.923 0.577 CA 1.510 27 residues pruned to eliminate duplicates Z: 56 25.610 1.808 0.740 0.505 0.909 0.636 CB 1.201 56 residues pruned to eliminate duplicates Z: 15 8.588 1.688 0.619 0.425 0.929 0.571 CB 0.978 15 residues pruned to eliminate duplicates Z: 13 21.780 2.133 0.401 0.888 0.917 0.583 CB 1.653 13 residues pruned to eliminate duplicates Z: 12 17.221 2.095 0.556 0.908 0.909 0.364 CB 1.245 22 residues pruned to eliminate duplicates Z: 27 15.771 2.001 0.422 0.524 0.808 0.423 CB 1.315 27 residues pruned to eliminate duplicates Z: 6 2.494 1.520 -0.212 0.560 1.000 0.400 CB 0.879 Z: 13 14.241 1.711 0.562 0.884 1.000 0.833 CA 1.112 13 residues pruned to eliminate duplicates Z: 15 6.149 1.823 0.274 0.573 0.786 0.643 CB 0.839 15 residues pruned to eliminate duplicates Z: 13 10.270 1.569 0.762 0.445 0.917 0.667 CA 1.238 17 residues pruned to eliminate duplicates Z: 43 23.030 1.994 0.542 0.472 0.857 0.524 CA 1.387 45 residues pruned to eliminate duplicates Z: 8 4.910 1.506 0.287 0.412 1.000 0.714 CA 1.049 8 residues pruned to eliminate duplicates Z: 13 20.303 1.873 0.901 0.939 1.000 0.750 CB 1.144 13 residues pruned to eliminate duplicates Z: 8 5.442 1.679 0.252 0.631 0.857 0.571 CB 1.009 8 residues pruned to eliminate duplicates Z: 7 2.250 1.348 0.341 0.505 0.667 0.667 CB 0.759 6 1.564 1.882 -0.031 0.621 0.400 0.200 CB 0.856 ? Z: 16 14.211 1.819 0.469 0.521 0.933 0.467 CB 1.440 16 residues pruned to eliminate duplicates Z: 11 5.680 1.515 0.061 0.569 0.900 0.600 CB 1.162 Z: 7 8.082 1.812 0.716 0.515 1.000 0.667 CA 1.045 7 residues pruned to eliminate duplicates Z: 26 25.491 2.005 0.833 0.496 0.960 0.480 CA 1.451 26 residues pruned to eliminate duplicates Z: 6 4.083 1.733 0.124 0.581 0.800 0.400 CB 1.084 6 residues pruned to eliminate duplicates Z: 10 7.062 1.804 0.504 0.406 1.000 0.667 CB 0.958 13 residues pruned to eliminate duplicates Z: 6 2.670 1.481 0.120 0.533 0.800 0.600 CB 0.871 10 1.961 1.395 0.061 0.191 0.667 0.444 CA 0.959 ? Z: 27 26.737 1.995 0.706 0.668 0.962 0.692 CB 1.372 27 residues pruned to eliminate duplicates Z: 13 5.259 1.660 0.932 0.258 0.750 0.333 CB 0.833 7 residues pruned to eliminate duplicates Z: 20 9.904 1.659 0.528 0.406 0.895 0.421 CA 1.106 18 residues pruned to eliminate duplicates 6 1.931 1.570 0.456 0.175 0.600 0.400 CB 0.933 ? Z: 6 3.934 1.434 0.458 0.490 0.800 0.600 O 1.062 Z: 47 30.799 2.001 0.824 0.600 0.891 0.522 CA 1.270 47 residues pruned to eliminate duplicates Z: 9 14.004 2.081 0.501 0.737 0.875 0.625 CB 1.464 9 residues pruned to eliminate duplicates Z: 7 2.315 1.489 0.400 0.486 0.833 0.833 O 0.552 Z: 31 21.310 1.951 0.592 0.566 0.900 0.533 CB 1.305 31 residues pruned to eliminate duplicates Z: 10 19.952 1.925 0.984 0.906 1.000 0.889 CA 1.238 10 residues pruned to eliminate duplicates Z: 10 10.973 1.704 0.745 0.747 0.889 0.556 CA 1.110 10 residues pruned to eliminate duplicates Z: 46 25.418 1.956 0.555 0.488 0.933 0.556 CB 1.351 46 residues pruned to eliminate duplicates Z: 47 21.775 1.926 0.520 0.488 0.913 0.609 CB 1.216 47 residues pruned to eliminate duplicates Z: 8 11.313 1.862 0.520 0.881 1.000 0.857 CA 1.094 8 residues pruned to eliminate duplicates Z: 14 5.363 1.616 0.307 0.420 0.846 0.615 CB 0.904 14 residues pruned to eliminate duplicates Z: 6 3.027 1.557 -0.006 0.618 0.800 0.600 CB 0.979 Z: 13 21.969 1.848 0.844 0.888 1.000 0.750 CA 1.341 13 residues pruned to eliminate duplicates Z: 6 6.918 1.509 0.289 0.775 1.000 0.600 O 1.248 6 residues pruned to eliminate duplicates Z: 7 4.163 1.889 0.243 0.842 0.667 0.333 CB 0.809 7 residues pruned to eliminate duplicates Z: 13 9.996 1.664 0.937 0.368 0.917 0.667 CA 1.125 13 residues pruned to eliminate duplicates Z: 15 16.177 1.717 0.791 0.880 1.000 0.714 CB 1.019 15 residues pruned to eliminate duplicates 6 1.026 1.184 0.069 0.299 0.800 0.400 CB 0.567 ? Z: 8 5.987 1.607 0.353 0.828 0.714 0.429 CB 1.098 7 residues pruned to eliminate duplicates Z: 58 28.505 1.941 0.574 0.487 0.930 0.719 CA 1.348 58 residues pruned to eliminate duplicates Z: 28 23.237 1.901 0.680 0.589 0.926 0.630 CA 1.388 28 residues pruned to eliminate duplicates Z: 15 31.581 2.137 0.988 0.923 0.929 0.357 CA 1.503 15 residues pruned to eliminate duplicates Z: 55 38.272 2.037 0.691 0.600 0.963 0.611 CA 1.428 56 residues pruned to eliminate duplicates Z: 7 7.742 1.649 0.309 0.853 1.000 0.833 CB 1.082 8 residues pruned to eliminate duplicates Z: 6 7.005 1.889 0.105 0.734 1.000 0.800 CA 1.217 6 residues pruned to eliminate duplicates Z: 7 2.975 1.458 0.188 0.580 0.833 0.500 CA 0.779 7 residues pruned to eliminate duplicates Z: 36 16.677 1.794 0.424 0.505 0.857 0.457 CB 1.281 36 residues pruned to eliminate duplicates Z: 13 15.762 1.866 0.487 0.920 0.917 0.750 CA 1.260 13 residues pruned to eliminate duplicates Z: 56 34.738 2.063 0.606 0.567 0.927 0.582 CB 1.429 56 residues pruned to eliminate duplicates Z: 13 11.851 1.812 0.292 0.868 0.917 0.917 CA 1.166 13 residues pruned to eliminate duplicates Z: 12 10.021 1.685 0.418 0.850 0.909 0.727 CB 1.030 12 residues pruned to eliminate duplicates Z: 22 14.229 1.884 0.663 0.384 0.857 0.619 CB 1.307 23 residues pruned to eliminate duplicates Z: 7 7.724 1.690 0.486 0.857 1.000 0.667 CB 0.925 7 residues pruned to eliminate duplicates Z: 30 16.653 1.955 0.433 0.524 0.862 0.690 CA 1.250 30 residues pruned to eliminate duplicates Z: 34 30.606 2.047 0.775 0.597 1.000 0.545 CA 1.336 33 residues pruned to eliminate duplicates Z: 6 6.351 1.584 0.592 0.525 1.000 0.400 CA 1.098 Z: 17 10.151 1.699 0.499 0.424 0.938 0.750 CB 1.150 17 residues pruned to eliminate duplicates Z: 14 23.607 2.001 0.731 0.919 0.923 0.769 CA 1.444 15 residues pruned to eliminate duplicates Z: 6 2.675 1.422 0.045 0.196 1.000 0.200 CB 1.156 Z: 19 7.244 1.817 0.026 0.366 0.889 0.611 CA 1.190 19 residues pruned to eliminate duplicates Z: 25 18.708 1.998 0.458 0.523 0.917 0.667 CA 1.398 25 residues pruned to eliminate duplicates Z: 6 6.473 1.681 0.533 0.647 0.800 0.600 CA 1.223 6 residues pruned to eliminate duplicates Z: 9 11.804 1.917 0.654 0.889 1.000 0.750 CB 0.947 9 residues pruned to eliminate duplicates Z: 9 4.198 1.316 0.433 0.414 1.000 0.375 CA 0.861 Z: 8 6.964 1.779 0.190 0.825 1.000 0.857 CB 0.938 8 residues pruned to eliminate duplicates Z: 64 29.877 1.942 0.758 0.459 0.857 0.635 CB 1.342 66 residues pruned to eliminate duplicates Z: 30 21.598 1.996 0.574 0.570 0.931 0.690 CA 1.281 30 residues pruned to eliminate duplicates Z: 27 24.937 1.987 0.619 0.634 0.962 0.692 CB 1.394 27 residues pruned to eliminate duplicates Z: 13 8.438 1.776 0.597 0.212 0.833 0.417 CB 1.448 13 residues pruned to eliminate duplicates Z: 6 4.438 1.746 0.367 0.373 0.800 0.600 CB 1.191 6 residues pruned to eliminate duplicates Z: 11 15.721 1.990 0.615 0.825 0.900 0.300 CA 1.297 11 residues pruned to eliminate duplicates Z: 56 34.391 1.991 0.764 0.561 0.927 0.527 CB 1.342 56 residues pruned to eliminate duplicates Z: 9 2.744 1.728 -0.141 0.344 0.625 0.375 CB 1.239 9 residues pruned to eliminate duplicates Z: 66 36.473 2.054 0.579 0.527 0.985 0.615 CB 1.380 76 residues pruned to eliminate duplicates Z: 16 8.069 1.707 0.457 0.303 0.800 0.400 CA 1.303 16 residues pruned to eliminate duplicates Z: 16 9.795 1.673 0.548 0.445 0.933 0.733 CA 1.107 13 residues pruned to eliminate duplicates Z: 11 14.346 1.686 0.675 0.892 1.000 0.900 CA 1.154 11 residues pruned to eliminate duplicates Z: 6 2.765 1.498 0.066 0.498 0.800 0.800 CA 0.969 Z: 22 10.738 1.723 0.548 0.515 0.762 0.524 CA 1.136 22 residues pruned to eliminate duplicates Z: 50 26.198 1.927 0.702 0.424 0.857 0.531 CA 1.441 50 residues pruned to eliminate duplicates Z: 16 9.040 1.913 0.254 0.375 0.867 0.533 CB 1.284 16 residues pruned to eliminate duplicates Z: 14 13.557 1.836 0.722 0.770 0.923 0.692 CA 1.014 14 residues pruned to eliminate duplicates Z: 7 6.308 1.600 0.842 0.711 0.833 0.500 CA 0.866 7 residues pruned to eliminate duplicates Z: 10 6.845 1.585 0.497 0.813 1.000 0.889 CA 0.732 10 residues pruned to eliminate duplicates Z: 12 18.009 1.821 0.512 0.917 0.909 0.636 CA 1.531 12 residues pruned to eliminate duplicates Z: 26 15.710 1.863 0.648 0.369 0.800 0.520 CA 1.472 26 residues pruned to eliminate duplicates Z: 12 15.632 1.871 0.755 0.897 0.909 0.636 CA 1.131 12 residues pruned to eliminate duplicates Z: 6 3.778 1.703 -0.217 0.590 1.000 0.800 CB 1.163 Z: 8 3.493 1.612 -0.065 0.590 0.857 0.714 CB 0.938 Z: 9 9.450 1.866 0.198 0.715 1.000 0.625 CA 1.230 9 residues pruned to eliminate duplicates Z: 7 4.456 1.408 0.523 0.368 0.833 0.667 CB 1.172 Z: 11 13.636 1.904 0.594 0.893 0.900 0.800 CB 1.133 11 residues pruned to eliminate duplicates Z: 21 17.287 1.914 0.423 0.655 0.900 0.700 CA 1.365 21 residues pruned to eliminate duplicates Z: 10 3.418 1.361 0.348 0.332 0.778 0.444 O 0.959 6 residues pruned to eliminate duplicates Z: 12 13.174 1.726 0.592 0.908 0.909 0.545 CB 1.129 12 residues pruned to eliminate duplicates Z: 13 18.205 2.037 0.393 0.921 0.917 0.750 CB 1.423 13 residues pruned to eliminate duplicates Z: 9 6.683 1.677 0.186 0.613 0.875 0.500 CA 1.220 9 residues pruned to eliminate duplicates Z: 26 14.289 1.800 0.588 0.445 0.840 0.640 CB 1.259 26 residues pruned to eliminate duplicates Z: 53 34.684 2.032 0.674 0.568 0.942 0.596 CB 1.405 53 residues pruned to eliminate duplicates Z: 11 6.975 1.765 0.484 0.311 0.800 0.400 N 1.298 11 residues pruned to eliminate duplicates Z: 11 10.469 1.695 0.278 0.891 1.000 0.700 CA 1.098 11 residues pruned to eliminate duplicates Z: 6 6.644 1.895 0.074 0.884 1.000 0.800 CB 1.055 6 residues pruned to eliminate duplicates Z: 12 9.008 1.628 0.342 0.732 1.000 0.727 CA 1.009 12 residues pruned to eliminate duplicates Z: 16 7.574 1.729 0.353 0.366 0.733 0.533 CB 1.315 16 residues pruned to eliminate duplicates Z: 6 2.078 1.575 0.526 0.293 0.400 0.400 CA 1.219 Z: 7 3.970 1.617 0.572 0.449 0.667 0.333 CB 1.007 Z: 11 20.091 1.881 0.796 0.922 0.900 0.700 CA 1.470 11 residues pruned to eliminate duplicates Z: 17 12.826 1.921 0.476 0.348 0.938 0.688 CA 1.423 17 residues pruned to eliminate duplicates Z: 15 10.630 1.707 0.586 0.336 0.929 0.643 CA 1.352 15 residues pruned to eliminate duplicates Z: 32 18.561 1.978 0.597 0.491 0.871 0.452 CB 1.222 32 residues pruned to eliminate duplicates Z: 47 29.889 2.014 0.462 0.594 0.957 0.696 CB 1.430 47 residues pruned to eliminate duplicates Z: 8 2.783 1.422 0.456 0.379 0.857 0.571 CB 0.674 Z: 11 22.451 2.164 0.448 0.875 1.000 0.400 CB 1.649 11 residues pruned to eliminate duplicates Z: 10 14.278 1.982 0.784 0.852 1.000 0.667 CA 0.996 10 residues pruned to eliminate duplicates Z: 15 9.830 1.600 0.722 0.346 0.929 0.643 CB 1.214 15 residues pruned to eliminate duplicates Z: 20 8.861 1.751 0.379 0.334 0.789 0.421 CB 1.278 20 residues pruned to eliminate duplicates Z: 55 38.451 2.056 0.786 0.579 0.963 0.556 CB 1.371 55 residues pruned to eliminate duplicates Z: 6 4.521 1.224 0.743 0.677 0.800 0.400 C 1.007 Z: 6 3.837 1.867 -0.170 0.471 1.000 0.600 N 1.141 Z: 7 4.593 1.658 0.309 0.438 0.833 0.667 N 1.105 Z: 7 2.375 1.522 0.135 0.716 0.667 0.500 CA 0.692 7 residues pruned to eliminate duplicates Z: 6 2.925 1.301 -0.057 0.492 1.000 0.400 C 1.076 6 residues pruned to eliminate duplicates 7 1.384 1.514 0.219 0.215 0.833 0.333 CB 0.514 ? Z: 12 8.529 1.762 0.382 0.328 1.000 0.455 CB 1.276 12 residues pruned to eliminate duplicates Z: 8 7.275 1.659 0.313 0.540 1.000 0.571 N 1.214 8 residues pruned to eliminate duplicates 6 1.336 1.540 0.365 0.295 0.600 0.400 CB 0.596 ? Z: 27 20.750 2.009 0.386 0.511 1.000 0.769 CA 1.445 27 residues pruned to eliminate duplicates Z: 9 6.620 1.845 0.539 0.404 0.750 0.500 CA 1.215 9 residues pruned to eliminate duplicates Z: 13 10.578 1.706 0.494 0.853 0.833 0.583 CB 1.063 13 residues pruned to eliminate duplicates Z: 6 6.535 1.607 0.701 0.774 0.800 0.600 CA 1.049 6 residues pruned to eliminate duplicates Z: 18 33.282 2.120 0.830 0.772 1.000 0.765 CB 1.636 18 residues pruned to eliminate duplicates Z: 9 10.299 1.920 0.263 0.873 1.000 0.875 CB 1.093 9 residues pruned to eliminate duplicates Z: 65 40.816 1.995 0.592 0.627 0.984 0.672 CB 1.448 65 residues pruned to eliminate duplicates Z: 10 5.415 1.481 0.488 0.341 0.778 0.333 CA 1.252 10 residues pruned to eliminate duplicates Z: 8 2.143 1.395 0.269 0.212 0.714 0.286 N 0.899 Z: 25 28.670 2.044 0.727 0.666 1.000 0.708 CA 1.422 25 residues pruned to eliminate duplicates Z: 13 16.727 1.815 0.639 0.831 0.917 0.417 CA 1.331 13 residues pruned to eliminate duplicates Z: 7 6.638 1.622 0.739 0.442 0.833 0.667 N 1.224 7 residues pruned to eliminate duplicates Z: 10 4.660 1.688 0.688 0.259 0.778 0.333 CB 0.924 9 residues pruned to eliminate duplicates Z: 16 18.276 1.672 0.784 0.935 1.000 0.867 CA 1.103 16 residues pruned to eliminate duplicates Z: 59 31.502 2.001 0.490 0.517 0.966 0.586 CB 1.413 59 residues pruned to eliminate duplicates Z: 13 21.297 1.959 0.737 0.820 1.000 0.667 CA 1.369 13 residues pruned to eliminate duplicates Z: 7 4.607 1.631 0.407 0.497 0.833 0.667 CA 0.986 7 residues pruned to eliminate duplicates Z: 6 5.217 1.538 0.390 0.612 0.800 0.600 C 1.227 Z: 10 20.336 2.108 0.431 0.919 1.000 1.000 CB 1.583 10 residues pruned to eliminate duplicates Z: 31 30.609 2.040 0.787 0.673 1.000 0.733 CA 1.308 31 residues pruned to eliminate duplicates Z: 9 3.353 1.602 -0.017 0.480 0.750 0.750 CB 1.025 7 residues pruned to eliminate duplicates Z: 17 9.330 1.785 0.695 0.306 0.875 0.438 CB 1.094 17 residues pruned to eliminate duplicates Z: 24 14.111 1.727 0.366 0.480 0.957 0.696 CB 1.330 23 residues pruned to eliminate duplicates Z: 15 16.931 1.708 0.796 0.878 1.000 0.786 CA 1.071 15 residues pruned to eliminate duplicates Z: 26 20.849 1.904 0.473 0.645 0.920 0.560 CA 1.411 22 residues pruned to eliminate duplicates Z: 16 10.338 1.933 0.253 0.503 0.867 0.600 CA 1.267 16 residues pruned to eliminate duplicates Z: 15 35.344 2.149 1.031 0.902 1.000 0.500 CB 1.543 15 residues pruned to eliminate duplicates Z: 22 16.275 1.865 0.555 0.735 0.857 0.857 CB 1.157 22 residues pruned to eliminate duplicates Z: 14 12.264 1.936 0.780 0.775 0.615 0.308 CB 1.258 14 residues pruned to eliminate duplicates Z: 26 23.623 1.934 0.803 0.570 0.960 0.400 CB 1.319 26 residues pruned to eliminate duplicates 9 1.786 1.497 0.319 0.162 0.500 0.375 N 0.966 ? Z: 37 23.634 2.034 0.539 0.485 0.972 0.556 CB 1.314 37 residues pruned to eliminate duplicates Z: 18 19.075 1.803 0.836 0.845 0.941 0.588 CA 1.105 18 residues pruned to eliminate duplicates Z: 13 16.244 1.808 0.969 0.896 0.833 0.333 CA 1.133 13 residues pruned to eliminate duplicates Z: 6 3.587 1.516 0.156 0.590 0.800 0.800 CA 1.049 6 residues pruned to eliminate duplicates Z: 35 25.715 1.967 0.639 0.551 0.912 0.471 CB 1.429 35 residues pruned to eliminate duplicates Z: 8 4.054 1.680 -0.019 0.371 1.000 0.714 CB 1.068 Z: 62 28.916 1.954 0.652 0.496 0.902 0.541 CB 1.276 62 residues pruned to eliminate duplicates Z: 13 11.555 1.876 0.209 0.783 0.917 0.667 CA 1.251 13 residues pruned to eliminate duplicates Z: 6 2.668 1.341 0.270 0.385 0.800 0.800 N 0.990 Z: 10 4.780 1.779 0.225 0.385 0.889 0.444 CA 0.929 10 residues pruned to eliminate duplicates Z: 12 6.684 1.661 -0.082 0.748 1.000 0.727 CB 1.059 12 residues pruned to eliminate duplicates Z: 11 9.725 1.706 0.341 0.885 1.000 0.800 CB 0.971 11 residues pruned to eliminate duplicates Z: 37 25.902 2.045 0.713 0.477 0.889 0.778 CB 1.419 37 residues pruned to eliminate duplicates Z: 8 9.157 1.454 0.584 0.825 1.000 0.429 CB 1.135 7 residues pruned to eliminate duplicates Z: 43 28.867 2.029 0.614 0.542 0.976 0.595 CA 1.338 43 residues pruned to eliminate duplicates Z: 7 11.445 1.717 0.881 0.768 1.000 0.833 CA 1.141 7 residues pruned to eliminate duplicates Z: 9 4.414 1.596 0.250 0.351 1.000 0.375 C 0.920 Z: 25 19.345 1.921 0.364 0.695 0.958 0.792 CA 1.316 23 residues pruned to eliminate duplicates Z: 6 3.196 1.218 0.683 0.818 1.000 0.800 CB 0.529 Z: 36 25.753 1.887 0.542 0.611 0.914 0.457 CA 1.474 46 residues pruned to eliminate duplicates Z: 15 18.988 1.922 0.574 0.781 0.929 0.714 CA 1.410 15 residues pruned to eliminate duplicates Z: 47 22.803 1.938 0.368 0.547 0.957 0.565 CB 1.265 47 residues pruned to eliminate duplicates Z: 10 22.435 2.144 1.212 0.909 1.000 0.778 CA 1.119 10 residues pruned to eliminate duplicates Z: 31 21.687 2.021 0.484 0.496 0.933 0.700 CB 1.419 31 residues pruned to eliminate duplicates Z: 24 11.282 1.841 0.456 0.444 0.826 0.435 CB 1.125 24 residues pruned to eliminate duplicates Z: 15 23.346 1.957 0.714 0.828 1.000 0.429 CA 1.401 15 residues pruned to eliminate duplicates Z: 9 9.099 1.814 0.725 0.386 0.875 0.500 CA 1.326 9 residues pruned to eliminate duplicates Z: 13 7.491 1.769 -0.143 0.721 1.000 0.667 CA 1.168 13 residues pruned to eliminate duplicates Z: 9 9.588 1.712 0.326 0.836 1.000 0.625 CA 1.117 9 residues pruned to eliminate duplicates Z: 9 5.911 1.538 0.350 0.818 0.875 0.875 CA 0.872 9 residues pruned to eliminate duplicates Z: 8 7.429 1.851 -0.069 0.834 1.000 0.857 CB 1.221 8 residues pruned to eliminate duplicates Z: 8 3.924 1.458 0.700 0.548 0.857 0.714 CB 0.666 8 residues pruned to eliminate duplicates Z: 9 2.822 1.374 0.300 0.423 0.750 0.500 CB 0.807 Z: 28 24.488 2.005 0.736 0.515 0.963 0.741 CA 1.385 28 residues pruned to eliminate duplicates Z: 15 15.742 1.719 0.768 0.888 0.857 0.643 CA 1.164 15 residues pruned to eliminate duplicates Z: 6 9.028 1.934 0.620 0.603 1.000 0.800 CB 1.168 6 residues pruned to eliminate duplicates Z: 11 6.545 1.651 0.544 0.376 0.800 0.500 CB 1.159 13 residues pruned to eliminate duplicates 6 0.993 1.633 0.327 0.304 0.600 0.400 CB 0.425 ? Z: 12 12.242 2.090 0.592 0.340 1.000 0.636 CA 1.321 12 residues pruned to eliminate duplicates Z: 9 4.042 1.687 0.544 0.295 0.750 0.500 CA 0.920 20 residues pruned to eliminate duplicates Z: 28 19.372 1.908 0.518 0.523 0.926 0.741 CB 1.358 28 residues pruned to eliminate duplicates Z: 31 21.866 1.956 0.627 0.513 0.933 0.667 CA 1.327 31 residues pruned to eliminate duplicates Z: 10 9.472 1.936 0.265 0.529 0.889 0.667 CA 1.409 10 residues pruned to eliminate duplicates Z: 59 34.579 2.006 0.586 0.593 0.931 0.638 CA 1.402 59 residues pruned to eliminate duplicates Z: 7 4.613 1.492 0.520 0.395 0.833 0.667 N 1.114 6 1.856 1.311 0.037 0.349 0.800 0.600 CA 0.899 ? Z: 6 3.541 1.906 0.219 0.343 0.600 0.400 CA 1.348 6 residues pruned to eliminate duplicates Z: 9 2.431 1.635 0.167 0.085 0.750 0.250 CB 1.026 5 residues pruned to eliminate duplicates Z: 13 20.490 2.108 0.483 0.864 0.917 0.833 CB 1.513 13 residues pruned to eliminate duplicates Z: 8 8.044 1.614 0.389 0.826 1.000 0.714 CA 1.023 8 residues pruned to eliminate duplicates Z: 35 19.771 1.895 0.568 0.487 0.853 0.559 CA 1.355 35 residues pruned to eliminate duplicates Z: 16 16.248 1.955 0.703 0.596 0.933 0.733 CA 1.232 16 residues pruned to eliminate duplicates Z: 13 11.430 1.655 0.542 0.833 0.833 0.750 CB 1.164 13 residues pruned to eliminate duplicates Z: 19 21.062 2.027 0.455 0.659 0.944 0.556 CB 1.537 19 residues pruned to eliminate duplicates Z: 41 22.462 1.940 0.561 0.533 0.850 0.575 CB 1.336 41 residues pruned to eliminate duplicates Z: 15 22.341 1.858 0.685 0.839 1.000 0.429 CA 1.424 15 residues pruned to eliminate duplicates Z: 6 2.511 1.553 0.090 0.299 0.800 0.400 N 1.038 Z: 24 16.534 1.950 0.671 0.503 0.870 0.348 CB 1.213 24 residues pruned to eliminate duplicates Z: 24 16.248 2.010 0.330 0.599 0.870 0.565 CB 1.326 24 residues pruned to eliminate duplicates Z: 13 5.195 1.564 0.366 0.421 0.833 0.500 CB 0.914 Z: 29 20.897 1.988 0.509 0.612 0.964 0.643 CB 1.228 29 residues pruned to eliminate duplicates Z: 21 16.857 1.823 0.619 0.571 0.850 0.600 CA 1.403 21 residues pruned to eliminate duplicates Z: 6 5.928 1.619 0.215 0.866 1.000 0.400 CB 0.987 6 residues pruned to eliminate duplicates Z: 12 12.519 1.769 0.543 0.597 0.909 0.455 CB 1.386 12 residues pruned to eliminate duplicates Z: 14 10.047 1.909 0.322 0.474 0.846 0.692 CA 1.339 14 residues pruned to eliminate duplicates Z: 13 17.192 1.820 0.543 0.856 1.000 0.833 CB 1.304 13 residues pruned to eliminate duplicates Z: 37 17.698 1.915 0.612 0.461 0.833 0.583 CA 1.193 37 residues pruned to eliminate duplicates Z: 9 9.506 1.743 0.482 0.522 0.875 0.875 CA 1.454 9 residues pruned to eliminate duplicates Z: 7 4.911 1.591 0.452 0.359 0.833 0.833 CB 1.212 7 residues pruned to eliminate duplicates Z: 9 15.334 2.076 0.569 0.866 1.000 0.875 CB 1.219 9 residues pruned to eliminate duplicates Z: 13 17.060 1.704 0.718 0.919 1.000 0.833 CA 1.186 13 residues pruned to eliminate duplicates Z: 29 18.389 1.988 0.597 0.510 0.893 0.643 CB 1.214 29 residues pruned to eliminate duplicates Z: 7 5.816 1.928 0.027 0.848 1.000 0.833 CB 0.890 7 residues pruned to eliminate duplicates Z: 27 20.568 1.961 0.681 0.540 0.885 0.769 CA 1.331 27 residues pruned to eliminate duplicates Z: 23 20.918 2.048 0.633 0.636 0.864 0.545 CB 1.359 23 residues pruned to eliminate duplicates Z: 15 20.204 2.116 0.385 0.850 0.929 0.571 CA 1.469 15 residues pruned to eliminate duplicates Z: 9 15.694 1.972 0.733 0.837 1.000 0.500 CB 1.214 9 residues pruned to eliminate duplicates Z: 25 21.048 1.903 0.517 0.717 0.958 0.792 CA 1.276 25 residues pruned to eliminate duplicates Z: 8 9.879 1.845 0.561 0.789 0.857 0.857 CA 1.174 8 residues pruned to eliminate duplicates Z: 9 14.286 1.774 0.812 0.841 1.000 0.625 CA 1.172 9 residues pruned to eliminate duplicates Z: 45 30.240 1.980 0.624 0.606 0.977 0.659 CB 1.312 45 residues pruned to eliminate duplicates Z: 8 8.539 1.717 0.263 0.722 1.000 0.571 CB 1.218 8 residues pruned to eliminate duplicates Z: 66 35.980 2.012 0.493 0.617 0.969 0.585 CB 1.373 66 residues pruned to eliminate duplicates Z: 57 29.484 1.987 0.546 0.573 0.893 0.643 CB 1.339 57 residues pruned to eliminate duplicates Z: 64 34.231 2.031 0.450 0.637 0.937 0.667 CB 1.375 64 residues pruned to eliminate duplicates Z: 19 27.790 2.103 0.769 0.740 1.000 0.556 CA 1.420 19 residues pruned to eliminate duplicates Z: 8 4.184 1.677 0.596 0.422 0.857 0.714 CB 0.748 8 residues pruned to eliminate duplicates Z: 8 3.016 1.143 0.317 0.337 1.000 0.571 N 0.905 Z: 6 7.634 1.651 0.786 0.767 1.000 0.400 CA 0.914 6 residues pruned to eliminate duplicates Z: 6 5.832 1.777 0.523 0.477 1.000 1.000 CB 0.987 8 residues pruned to eliminate duplicates Z: 6 2.794 1.437 0.074 0.542 0.800 0.600 CB 0.971 Z: 6 2.582 1.491 0.250 0.430 0.600 0.600 N 1.110 Using tripeptides from previous cycle as seeds 6 1.584 1.105 0.226 0.364 1.000 0.600 CA 0.605 ? Z: 14 11.586 1.821 0.492 0.718 0.846 0.769 CB 1.148 14 residues pruned to eliminate duplicates Z: 42 30.992 2.033 0.575 0.658 0.902 0.634 CB 1.446 42 residues pruned to eliminate duplicates Z: 66 34.534 2.027 0.438 0.637 0.938 0.662 CB 1.377 66 residues pruned to eliminate duplicates Z: 66 36.495 2.025 0.478 0.617 0.969 0.600 CB 1.397 66 residues pruned to eliminate duplicates Z: 71 34.449 2.018 0.484 0.605 0.914 0.657 CB 1.361 71 residues pruned to eliminate duplicates Z: 66 37.816 2.027 0.577 0.631 0.938 0.615 CB 1.382 75 residues pruned to eliminate duplicates Z: 14 15.955 1.809 0.743 0.899 0.846 0.615 CA 1.185 14 residues pruned to eliminate duplicates Z: 65 38.315 2.028 0.520 0.633 0.953 0.672 CB 1.438 65 residues pruned to eliminate duplicates Z: 15 17.196 1.738 0.859 0.861 0.857 0.643 CB 1.219 15 residues pruned to eliminate duplicates Z: 63 37.630 2.024 0.581 0.596 0.935 0.613 CB 1.457 63 residues pruned to eliminate duplicates Z: 63 35.019 2.030 0.540 0.627 0.919 0.661 CB 1.373 63 residues pruned to eliminate duplicates Z: 61 35.332 2.028 0.483 0.637 0.917 0.583 CB 1.456 61 residues pruned to eliminate duplicates Z: 66 36.053 2.019 0.517 0.622 0.954 0.662 CB 1.365 66 residues pruned to eliminate duplicates Z: 65 36.306 2.023 0.494 0.617 0.953 0.562 CB 1.411 65 residues pruned to eliminate duplicates Z: 59 39.534 2.045 0.612 0.638 0.966 0.672 CB 1.433 59 residues pruned to eliminate duplicates Z: 17 18.104 1.922 0.708 0.724 0.938 0.812 CB 1.202 17 residues pruned to eliminate duplicates Z: 66 34.331 2.023 0.491 0.587 0.923 0.646 CB 1.407 66 residues pruned to eliminate duplicates Z: 62 37.291 1.999 0.610 0.610 0.967 0.639 CB 1.382 62 residues pruned to eliminate duplicates Z: 63 35.096 2.032 0.447 0.596 0.952 0.629 CA 1.453 63 residues pruned to eliminate duplicates Z: 65 35.666 2.026 0.492 0.632 0.938 0.641 CB 1.390 65 residues pruned to eliminate duplicates Z: 63 40.283 2.043 0.589 0.625 1.000 0.565 CB 1.401 63 residues pruned to eliminate duplicates Z: 66 39.585 2.031 0.560 0.616 0.969 0.646 CB 1.434 66 residues pruned to eliminate duplicates Z: 63 38.871 2.046 0.588 0.643 0.919 0.694 CB 1.446 63 residues pruned to eliminate duplicates Z: 64 38.435 2.030 0.565 0.619 0.952 0.603 CB 1.430 63 residues pruned to eliminate duplicates Z: 16 24.190 2.103 0.515 0.701 1.000 0.733 CB 1.631 16 residues pruned to eliminate duplicates Z: 37 32.978 2.057 0.583 0.661 1.000 0.667 CB 1.454 37 residues pruned to eliminate duplicates Z: 68 36.071 2.003 0.548 0.592 0.940 0.672 CB 1.384 68 residues pruned to eliminate duplicates Z: 69 33.307 1.964 0.619 0.573 0.912 0.588 CB 1.299 69 residues pruned to eliminate duplicates Z: 64 31.981 1.982 0.456 0.595 0.968 0.619 CB 1.316 64 residues pruned to eliminate duplicates Z: 71 36.865 2.014 0.595 0.575 0.900 0.557 CB 1.417 64 residues pruned to eliminate duplicates Z: 14 19.117 2.043 0.283 0.865 0.923 0.846 CB 1.604 14 residues pruned to eliminate duplicates Z: 73 33.548 1.998 0.536 0.581 0.903 0.556 CB 1.320 73 residues pruned to eliminate duplicates Z: 41 36.527 2.051 0.679 0.657 1.000 0.725 CB 1.450 41 residues pruned to eliminate duplicates Z: 66 36.684 2.013 0.594 0.604 0.938 0.646 CB 1.368 66 residues pruned to eliminate duplicates Z: 65 37.299 2.032 0.622 0.628 0.922 0.609 CB 1.360 65 residues pruned to eliminate duplicates Z: 64 40.314 2.009 0.687 0.624 0.952 0.603 CB 1.399 64 residues pruned to eliminate duplicates Z: 62 38.941 2.015 0.655 0.645 0.951 0.623 CB 1.373 62 residues pruned to eliminate duplicates Z: 65 36.093 2.029 0.499 0.625 0.953 0.641 CB 1.384 65 residues pruned to eliminate duplicates Z: 64 36.017 2.021 0.563 0.633 0.937 0.651 CB 1.354 64 residues pruned to eliminate duplicates Z: 66 38.234 2.026 0.586 0.617 0.954 0.585 CB 1.385 66 residues pruned to eliminate duplicates Z: 66 39.822 2.042 0.676 0.624 0.923 0.615 CB 1.392 66 residues pruned to eliminate duplicates Z: 49 29.827 1.987 0.641 0.511 0.917 0.562 CB 1.425 73 residues pruned to eliminate duplicates Z: 58 40.314 2.039 0.656 0.612 0.965 0.649 CB 1.474 58 residues pruned to eliminate duplicates Z: 21 16.622 1.916 0.435 0.523 0.950 0.550 CB 1.392 21 residues pruned to eliminate duplicates Z: 24 16.800 1.986 0.360 0.557 0.826 0.609 CA 1.486 24 residues pruned to eliminate duplicates Z: 66 40.826 2.029 0.681 0.607 0.954 0.585 CB 1.406 66 residues pruned to eliminate duplicates Z: 61 34.149 2.001 0.575 0.581 0.950 0.600 CB 1.363 61 residues pruned to eliminate duplicates Z: 61 40.846 2.047 0.693 0.640 0.967 0.617 CB 1.380 61 residues pruned to eliminate duplicates Z: 22 18.061 1.863 0.652 0.630 0.857 0.524 CB 1.322 22 residues pruned to eliminate duplicates Z: 24 22.040 2.027 0.483 0.650 0.913 0.739 CB 1.456 24 residues pruned to eliminate duplicates Z: 58 37.076 2.009 0.666 0.632 0.930 0.719 CB 1.394 58 residues pruned to eliminate duplicates Z: 66 38.884 2.034 0.608 0.639 0.938 0.692 CB 1.380 66 residues pruned to eliminate duplicates Z: 65 40.729 2.041 0.661 0.646 0.953 0.719 CB 1.375 65 residues pruned to eliminate duplicates Z: 61 39.309 2.021 0.723 0.641 0.967 0.550 CB 1.321 61 residues pruned to eliminate duplicates Z: 25 17.947 1.979 0.474 0.613 0.875 0.583 CB 1.290 25 residues pruned to eliminate duplicates Z: 25 20.938 1.990 0.546 0.612 0.917 0.708 CB 1.363 25 residues pruned to eliminate duplicates Z: 25 20.399 1.985 0.436 0.619 0.917 0.750 CB 1.424 25 residues pruned to eliminate duplicates Z: 63 32.420 1.953 0.613 0.584 0.919 0.597 CB 1.311 63 residues pruned to eliminate duplicates Z: 6 9.998 1.873 0.367 0.824 1.000 0.800 CB 1.318 7 residues pruned to eliminate duplicates Z: 8 8.580 1.629 0.313 0.777 1.000 0.429 CB 1.187 8 residues pruned to eliminate duplicates Z: 9 9.254 1.606 0.564 0.733 0.875 0.500 CB 1.207 9 residues pruned to eliminate duplicates Z: 9 10.233 1.614 0.437 0.838 1.000 0.750 CA 1.166 9 residues pruned to eliminate duplicates Z: 9 10.238 1.553 0.459 0.795 1.000 0.625 CA 1.233 9 residues pruned to eliminate duplicates Z: 8 9.189 1.667 0.399 0.779 1.000 0.571 CA 1.165 8 residues pruned to eliminate duplicates Z: 10 7.374 1.783 0.193 0.527 0.889 0.444 CA 1.266 Z: 6 2.521 1.428 0.510 0.241 0.800 0.200 CB 0.882 6 residues pruned to eliminate duplicates Z: 9 9.968 1.831 0.371 0.646 0.875 0.625 CB 1.399 10 residues pruned to eliminate duplicates Z: 8 6.208 1.711 0.251 0.613 0.857 0.571 CB 1.149 8 residues pruned to eliminate duplicates Z: 24 9.265 1.766 0.492 0.365 0.739 0.391 CA 1.147 24 residues pruned to eliminate duplicates Z: 52 28.681 1.961 0.553 0.539 0.922 0.608 CB 1.377 52 residues pruned to eliminate duplicates Z: 13 4.037 1.627 0.574 0.177 0.667 0.333 CB 1.007 10 residues pruned to eliminate duplicates Z: 6 5.074 1.502 0.599 0.448 1.000 0.000 CA 0.997 6 residues pruned to eliminate duplicates Z: 11 4.188 1.854 0.344 0.164 0.700 0.400 CB 1.143 11 residues pruned to eliminate duplicates Z: 6 4.045 1.529 0.980 0.519 0.600 0.400 CA 0.978 6 residues pruned to eliminate duplicates Z: 22 7.988 1.786 0.526 0.297 0.667 0.429 CB 1.204 20 residues pruned to eliminate duplicates Z: 8 4.029 1.566 0.481 0.531 0.714 0.571 N 0.892 8 residues pruned to eliminate duplicates Z: 15 9.486 1.788 0.898 0.279 0.786 0.214 CB 1.221 15 residues pruned to eliminate duplicates Z: 13 5.554 1.643 0.739 0.240 0.667 0.250 CA 1.137 13 residues pruned to eliminate duplicates Z: 17 8.558 1.815 0.626 0.292 0.688 0.188 CB 1.331 20 residues pruned to eliminate duplicates Z: 7 6.305 1.671 0.645 0.744 1.000 0.500 CA 0.753 7 residues pruned to eliminate duplicates Z: 8 6.050 1.703 0.488 0.525 0.857 0.571 CB 1.028 7 residues pruned to eliminate duplicates Z: 8 5.027 1.654 0.680 0.806 1.000 0.714 CA 0.523 8 residues pruned to eliminate duplicates Z: 25 11.776 1.709 0.421 0.381 0.875 0.542 CB 1.285 11 residues pruned to eliminate duplicates Z: 9 14.161 2.040 0.690 0.669 0.875 0.500 CB 1.420 9 residues pruned to eliminate duplicates Z: 11 11.947 2.000 0.253 0.636 1.000 0.600 CA 1.326 11 residues pruned to eliminate duplicates Z: 20 10.811 1.674 0.456 0.506 0.842 0.526 CB 1.201 12 residues pruned to eliminate duplicates Z: 7 7.517 1.896 0.263 0.876 0.833 0.667 CA 1.118 7 residues pruned to eliminate duplicates Z: 18 13.070 1.768 0.447 0.589 0.941 0.588 CB 1.209 18 residues pruned to eliminate duplicates Z: 13 14.410 1.883 0.586 0.610 0.917 0.833 CB 1.369 13 residues pruned to eliminate duplicates Z: 13 13.906 1.905 0.597 0.563 0.917 0.833 CB 1.355 13 residues pruned to eliminate duplicates Z: 21 13.071 1.715 0.582 0.509 0.850 0.600 CB 1.256 22 residues pruned to eliminate duplicates Z: 11 9.348 1.743 0.448 0.640 1.000 0.500 CA 1.028 11 residues pruned to eliminate duplicates Z: 16 10.195 1.771 0.478 0.548 0.933 0.667 CA 1.028 16 residues pruned to eliminate duplicates Z: 19 8.977 1.659 0.588 0.551 0.944 0.667 CB 0.809 19 residues pruned to eliminate duplicates Z: 44 14.465 1.758 0.614 0.426 0.791 0.442 CB 1.062 44 residues pruned to eliminate duplicates Z: 14 10.714 1.770 0.586 0.608 1.000 0.615 CB 0.956 14 residues pruned to eliminate duplicates Z: 33 10.587 1.673 0.516 0.333 0.812 0.469 CB 1.090 29 residues pruned to eliminate duplicates Z: 7 11.328 1.781 0.866 0.795 1.000 0.500 CA 1.074 7 residues pruned to eliminate duplicates Z: 29 11.694 1.686 0.556 0.379 0.786 0.500 CA 1.219 29 residues pruned to eliminate duplicates Z: 27 16.179 1.811 0.752 0.514 0.846 0.577 CA 1.166 27 residues pruned to eliminate duplicates Z: 24 14.181 1.867 0.661 0.421 0.826 0.609 CA 1.254 24 residues pruned to eliminate duplicates Z: 24 14.356 1.730 0.611 0.513 1.000 0.478 CB 1.060 24 residues pruned to eliminate duplicates Z: 26 12.979 1.839 0.489 0.419 0.920 0.640 CB 1.121 26 residues pruned to eliminate duplicates Z: 26 14.851 1.850 0.522 0.435 0.920 0.560 CB 1.226 26 residues pruned to eliminate duplicates Z: 27 15.721 1.836 0.628 0.483 0.885 0.654 CB 1.187 27 residues pruned to eliminate duplicates Z: 16 8.457 1.818 0.456 0.297 0.867 0.600 CA 1.193 16 residues pruned to eliminate duplicates Z: 26 14.238 1.856 0.514 0.469 0.880 0.640 CA 1.188 26 residues pruned to eliminate duplicates Z: 15 8.601 1.809 0.585 0.278 0.857 0.571 CA 1.203 15 residues pruned to eliminate duplicates Z: 10 4.814 1.896 0.547 0.223 0.556 0.333 CB 1.362 10 residues pruned to eliminate duplicates Z: 42 18.181 1.844 0.502 0.410 0.829 0.415 CA 1.359 42 residues pruned to eliminate duplicates Z: 11 6.297 1.855 0.559 0.199 0.800 0.200 CB 1.231 11 residues pruned to eliminate duplicates Z: 16 7.940 1.855 0.404 0.296 0.733 0.267 CB 1.348 16 residues pruned to eliminate duplicates Z: 29 15.432 1.854 0.637 0.520 0.786 0.393 CB 1.200 29 residues pruned to eliminate duplicates Z: 16 8.103 1.780 0.398 0.343 0.733 0.333 CA 1.359 16 residues pruned to eliminate duplicates Z: 28 11.619 1.792 0.402 0.488 0.778 0.407 CA 1.158 28 residues pruned to eliminate duplicates Z: 27 11.504 1.801 0.467 0.477 0.769 0.462 CB 1.136 27 residues pruned to eliminate duplicates Z: 52 21.262 1.787 0.573 0.465 0.863 0.490 CB 1.272 52 residues pruned to eliminate duplicates Z: 16 15.134 1.820 0.596 0.783 0.933 0.600 CB 1.124 16 residues pruned to eliminate duplicates Z: 41 26.427 1.862 0.538 0.628 0.950 0.700 CA 1.361 41 residues pruned to eliminate duplicates Z: 17 12.038 1.851 0.425 0.678 0.875 0.312 CB 1.106 17 residues pruned to eliminate duplicates Z: 42 24.117 1.855 0.478 0.600 0.902 0.659 CB 1.384 42 residues pruned to eliminate duplicates Z: 53 27.001 1.846 0.566 0.541 0.904 0.519 CA 1.377 53 residues pruned to eliminate duplicates Z: 25 17.353 1.855 0.625 0.563 0.917 0.583 CA 1.206 25 residues pruned to eliminate duplicates Z: 44 23.931 1.817 0.582 0.605 0.860 0.558 CB 1.335 44 residues pruned to eliminate duplicates Z: 40 24.402 1.821 0.570 0.608 0.923 0.590 CB 1.336 40 residues pruned to eliminate duplicates Z: 17 9.400 1.751 0.501 0.719 0.750 0.438 CB 0.978 17 residues pruned to eliminate duplicates Z: 28 16.772 1.820 0.526 0.560 0.889 0.556 CB 1.233 28 residues pruned to eliminate duplicates Z: 57 23.386 1.813 0.619 0.491 0.893 0.500 CA 1.203 57 residues pruned to eliminate duplicates Z: 41 25.671 1.840 0.609 0.591 0.925 0.525 CB 1.358 41 residues pruned to eliminate duplicates Z: 42 24.588 1.834 0.519 0.618 0.902 0.610 CA 1.366 42 residues pruned to eliminate duplicates Z: 24 21.274 1.926 0.682 0.645 0.913 0.522 CA 1.311 24 residues pruned to eliminate duplicates Z: 41 24.602 1.875 0.606 0.616 0.850 0.600 CA 1.362 41 residues pruned to eliminate duplicates Z: 42 23.987 1.805 0.561 0.563 0.927 0.585 CA 1.349 42 residues pruned to eliminate duplicates Z: 32 18.449 1.778 0.648 0.575 0.871 0.419 CB 1.208 32 residues pruned to eliminate duplicates Z: 21 12.612 1.718 0.650 0.334 0.900 0.550 CA 1.325 21 residues pruned to eliminate duplicates Z: 26 20.023 1.877 0.612 0.592 0.920 0.600 CB 1.317 26 residues pruned to eliminate duplicates Z: 34 18.245 1.759 0.433 0.540 0.909 0.424 CB 1.333 34 residues pruned to eliminate duplicates Z: 32 19.214 1.778 0.559 0.533 0.903 0.548 CB 1.333 32 residues pruned to eliminate duplicates Z: 42 20.196 1.784 0.675 0.546 0.829 0.512 CB 1.218 42 residues pruned to eliminate duplicates Z: 41 21.818 1.802 0.608 0.531 0.900 0.525 CB 1.283 41 residues pruned to eliminate duplicates Z: 52 26.988 1.827 0.642 0.547 0.902 0.549 CA 1.334 52 residues pruned to eliminate duplicates Z: 27 20.493 1.863 0.682 0.534 0.885 0.654 CA 1.403 27 residues pruned to eliminate duplicates Z: 41 26.993 1.883 0.615 0.626 0.925 0.625 CA 1.347 41 residues pruned to eliminate duplicates Z: 40 26.087 1.865 0.575 0.648 0.923 0.641 CB 1.342 40 residues pruned to eliminate duplicates Z: 57 24.592 1.793 0.621 0.499 0.857 0.429 CB 1.322 57 residues pruned to eliminate duplicates Z: 25 22.019 1.900 0.543 0.582 0.958 0.708 CA 1.478 25 residues pruned to eliminate duplicates Z: 42 26.195 1.837 0.710 0.602 0.902 0.585 CB 1.309 42 residues pruned to eliminate duplicates Z: 31 19.831 1.781 0.626 0.553 0.900 0.533 CA 1.319 31 residues pruned to eliminate duplicates Z: 65 34.165 1.859 0.598 0.625 0.969 0.609 CA 1.319 67 residues pruned to eliminate duplicates Z: 12 24.956 1.882 0.834 0.902 1.000 0.364 CB 1.555 12 residues pruned to eliminate duplicates Z: 44 24.532 1.780 0.716 0.555 0.930 0.442 CB 1.248 44 residues pruned to eliminate duplicates Z: 43 26.420 1.842 0.745 0.624 0.881 0.452 CB 1.281 43 residues pruned to eliminate duplicates Z: 44 24.097 1.813 0.731 0.598 0.837 0.349 CB 1.274 44 residues pruned to eliminate duplicates Z: 41 21.931 1.854 0.676 0.610 0.800 0.500 CB 1.257 41 residues pruned to eliminate duplicates Z: 27 22.732 1.844 0.691 0.514 0.923 0.500 CA 1.527 27 residues pruned to eliminate duplicates Z: 62 28.554 1.868 0.555 0.630 0.869 0.590 CA 1.281 62 residues pruned to eliminate duplicates Z: 32 18.518 1.828 0.492 0.558 0.903 0.484 CA 1.276 32 residues pruned to eliminate duplicates Z: 27 16.663 1.882 0.276 0.567 0.962 0.615 CA 1.327 27 residues pruned to eliminate duplicates Z: 25 17.891 1.878 0.566 0.605 0.875 0.708 CA 1.284 25 residues pruned to eliminate duplicates Z: 28 17.892 1.883 0.425 0.605 0.963 0.741 CA 1.206 25 residues pruned to eliminate duplicates Z: 6 5.278 1.880 0.317 0.423 1.000 0.400 CA 1.033 6 residues pruned to eliminate duplicates Z: 67 33.746 1.883 0.604 0.605 0.924 0.576 CB 1.347 69 residues pruned to eliminate duplicates Z: 7 3.732 1.402 0.248 0.641 1.000 0.500 CA 0.763 7 residues pruned to eliminate duplicates Z: 25 18.898 1.937 0.393 0.614 1.000 0.875 CA 1.284 25 residues pruned to eliminate duplicates Z: 9 5.465 1.583 0.517 0.532 0.875 0.500 CB 0.891 9 residues pruned to eliminate duplicates Z: 88 28.514 1.835 0.540 0.462 0.885 0.563 CB 1.270 169 residues pruned to eliminate duplicates Z: 14 19.142 1.996 0.494 0.811 1.000 0.769 CA 1.358 15 residues pruned to eliminate duplicates Z: 16 15.819 1.825 0.577 0.878 1.000 0.800 CA 1.030 16 residues pruned to eliminate duplicates Z: 25 17.762 1.918 0.308 0.632 1.000 0.625 CA 1.277 25 residues pruned to eliminate duplicates Z: 26 16.632 1.882 0.333 0.623 0.960 0.640 CA 1.230 26 residues pruned to eliminate duplicates Z: 17 22.593 1.960 0.782 0.780 1.000 0.750 CA 1.264 16 residues pruned to eliminate duplicates Z: 14 22.856 2.019 0.742 0.882 1.000 0.538 CA 1.304 15 residues pruned to eliminate duplicates Z: 14 25.231 2.002 0.940 0.905 1.000 0.769 CA 1.282 14 residues pruned to eliminate duplicates Z: 14 28.624 2.034 1.052 0.920 1.000 0.462 CA 1.340 14 residues pruned to eliminate duplicates Z: 14 24.331 1.997 1.001 0.873 0.923 0.462 CA 1.332 14 residues pruned to eliminate duplicates Z: 16 22.586 2.004 0.789 0.748 0.933 0.667 CA 1.396 16 residues pruned to eliminate duplicates Z: 17 23.991 1.935 0.797 0.770 1.000 0.625 CA 1.358 17 residues pruned to eliminate duplicates Z: 19 19.448 1.886 0.689 0.667 1.000 0.667 CA 1.233 19 residues pruned to eliminate duplicates Z: 20 20.254 1.891 0.724 0.706 1.000 0.579 CA 1.181 20 residues pruned to eliminate duplicates Z: 9 8.429 1.828 0.267 0.743 0.875 0.625 CB 1.183 9 residues pruned to eliminate duplicates Z: 8 9.004 1.931 0.294 0.804 1.000 0.571 CB 1.044 8 residues pruned to eliminate duplicates Z: 9 8.531 1.805 0.271 0.696 1.000 0.625 CB 1.100 9 residues pruned to eliminate duplicates Z: 8 9.814 1.983 0.202 0.670 1.000 0.429 CB 1.330 8 residues pruned to eliminate duplicates Z: 18 9.774 1.741 0.322 0.529 0.941 0.471 CB 1.063 18 residues pruned to eliminate duplicates Z: 15 13.072 1.832 0.653 0.608 0.929 0.714 CB 1.121 15 residues pruned to eliminate duplicates Z: 9 12.520 1.806 0.604 0.845 1.000 0.875 CB 1.136 9 residues pruned to eliminate duplicates Z: 39 20.733 1.961 0.413 0.457 0.921 0.526 CB 1.377 37 residues pruned to eliminate duplicates Z: 18 23.753 2.054 0.547 0.743 0.941 0.765 CA 1.549 18 residues pruned to eliminate duplicates Z: 53 31.201 2.074 0.314 0.596 0.981 0.673 CB 1.477 53 residues pruned to eliminate duplicates Z: 36 14.328 1.916 0.182 0.409 0.857 0.571 CB 1.373 36 residues pruned to eliminate duplicates Z: 57 30.809 2.011 0.488 0.534 0.929 0.625 CB 1.434 57 residues pruned to eliminate duplicates Z: 27 18.669 2.053 0.212 0.541 0.923 0.538 CB 1.531 27 residues pruned to eliminate duplicates Z: 16 25.692 2.133 0.498 0.805 1.000 0.667 CA 1.592 16 residues pruned to eliminate duplicates Z: 23 18.813 2.059 0.369 0.569 0.909 0.591 CA 1.464 23 residues pruned to eliminate duplicates Z: 18 19.654 2.039 0.434 0.708 0.882 0.588 CB 1.530 18 residues pruned to eliminate duplicates Z: 24 17.607 2.035 0.305 0.610 0.826 0.609 CA 1.508 24 residues pruned to eliminate duplicates Z: 53 33.690 2.091 0.500 0.569 0.923 0.615 CB 1.509 53 residues pruned to eliminate duplicates Z: 21 19.161 1.833 0.770 0.662 0.900 0.650 CB 1.262 21 residues pruned to eliminate duplicates Z: 18 19.427 2.046 0.714 0.709 0.824 0.529 CA 1.349 18 residues pruned to eliminate duplicates Z: 30 18.137 2.033 0.366 0.488 0.828 0.517 CB 1.482 30 residues pruned to eliminate duplicates Z: 36 23.252 2.043 0.333 0.495 0.971 0.571 CB 1.492 36 residues pruned to eliminate duplicates Z: 39 25.750 2.057 0.450 0.464 0.974 0.500 CB 1.493 39 residues pruned to eliminate duplicates Z: 53 34.115 2.075 0.445 0.573 0.962 0.596 CB 1.530 53 residues pruned to eliminate duplicates Z: 27 20.344 1.995 0.432 0.564 0.885 0.577 CA 1.483 27 residues pruned to eliminate duplicates Z: 39 21.776 2.029 0.389 0.478 0.895 0.500 CB 1.433 39 residues pruned to eliminate duplicates Z: 18 10.066 1.833 0.446 0.327 0.882 0.412 CA 1.263 18 residues pruned to eliminate duplicates Z: 43 26.015 2.043 0.480 0.528 0.929 0.548 CB 1.391 43 residues pruned to eliminate duplicates Z: 44 22.663 1.976 0.374 0.505 0.953 0.605 CB 1.328 44 residues pruned to eliminate duplicates Z: 55 33.413 2.064 0.555 0.572 0.907 0.611 CB 1.456 55 residues pruned to eliminate duplicates Z: 54 32.709 2.055 0.478 0.585 0.943 0.604 CA 1.446 54 residues pruned to eliminate duplicates Z: 37 23.694 2.042 0.412 0.515 0.917 0.583 CB 1.472 37 residues pruned to eliminate duplicates Z: 21 12.554 1.985 0.367 0.379 0.900 0.550 CB 1.308 21 residues pruned to eliminate duplicates Z: 36 23.679 2.010 0.543 0.468 0.914 0.486 CB 1.458 36 residues pruned to eliminate duplicates Z: 26 13.596 1.880 0.451 0.343 0.880 0.480 CB 1.344 26 residues pruned to eliminate duplicates Z: 22 12.301 1.933 0.403 0.331 0.952 0.429 CB 1.251 22 residues pruned to eliminate duplicates Z: 36 24.183 2.010 0.481 0.536 0.914 0.600 CB 1.450 36 residues pruned to eliminate duplicates Z: 61 31.990 1.956 0.617 0.544 0.900 0.617 CB 1.390 61 residues pruned to eliminate duplicates Z: 53 36.679 2.054 0.557 0.599 0.962 0.654 CB 1.505 53 residues pruned to eliminate duplicates Z: 39 25.633 2.038 0.474 0.508 0.947 0.553 CB 1.450 39 residues pruned to eliminate duplicates Z: 38 25.028 2.058 0.392 0.516 0.973 0.649 CB 1.453 38 residues pruned to eliminate duplicates Z: 38 27.611 2.066 0.433 0.526 1.000 0.595 CB 1.493 39 residues pruned to eliminate duplicates Z: 6 8.402 1.781 0.671 0.417 1.000 0.200 CA 1.377 6 residues pruned to eliminate duplicates Z: 54 38.883 2.076 0.646 0.567 0.962 0.585 CB 1.522 53 residues pruned to eliminate duplicates Z: 17 23.031 2.052 0.517 0.721 1.000 0.438 CB 1.515 17 residues pruned to eliminate duplicates Z: 40 26.144 2.044 0.518 0.473 0.923 0.462 CB 1.502 40 residues pruned to eliminate duplicates Z: 54 34.414 2.036 0.464 0.584 0.962 0.604 CA 1.521 54 residues pruned to eliminate duplicates Z: 51 32.869 2.064 0.581 0.546 0.920 0.460 CB 1.480 52 residues pruned to eliminate duplicates Z: 14 28.038 2.138 0.670 0.853 1.000 0.308 CA 1.609 14 residues pruned to eliminate duplicates Z: 42 28.756 2.012 0.586 0.504 0.951 0.366 CB 1.473 42 residues pruned to eliminate duplicates Z: 69 29.566 1.953 0.581 0.464 0.926 0.500 CB 1.301 69 residues pruned to eliminate duplicates Z: 26 23.391 1.936 0.730 0.518 0.920 0.320 CB 1.491 26 residues pruned to eliminate duplicates Z: 54 37.240 2.061 0.628 0.581 0.943 0.434 CB 1.495 54 residues pruned to eliminate duplicates Z: 19 26.348 2.102 0.662 0.693 0.889 0.278 CB 1.676 19 residues pruned to eliminate duplicates Z: 38 27.996 2.018 0.607 0.502 0.946 0.378 CB 1.496 38 residues pruned to eliminate duplicates Z: 54 34.751 2.056 0.495 0.589 0.962 0.623 CB 1.483 54 residues pruned to eliminate duplicates Z: 53 40.128 2.077 0.616 0.600 0.981 0.481 CB 1.537 53 residues pruned to eliminate duplicates Z: 55 34.949 2.041 0.506 0.608 0.944 0.574 CB 1.479 55 residues pruned to eliminate duplicates Z: 30 20.138 2.006 0.688 0.552 0.862 0.724 CB 1.218 30 residues pruned to eliminate duplicates Z: 39 17.831 1.957 0.415 0.476 0.921 0.526 CB 1.162 39 residues pruned to eliminate duplicates Z: 32 23.679 2.048 0.745 0.556 0.935 0.645 CB 1.204 32 residues pruned to eliminate duplicates Z: 62 25.903 1.983 0.618 0.466 0.869 0.525 CB 1.232 62 residues pruned to eliminate duplicates Z: 16 13.417 1.998 0.601 0.409 0.867 0.667 CB 1.374 16 residues pruned to eliminate duplicates Z: 18 12.050 1.925 0.544 0.370 0.882 0.529 CB 1.282 18 residues pruned to eliminate duplicates Z: 31 20.454 2.040 0.624 0.558 0.900 0.633 CB 1.183 31 residues pruned to eliminate duplicates Z: 34 22.138 1.999 0.728 0.510 0.909 0.576 CB 1.215 34 residues pruned to eliminate duplicates Z: 33 22.259 2.051 0.625 0.552 0.938 0.688 CB 1.198 33 residues pruned to eliminate duplicates Z: 33 20.431 2.026 0.567 0.553 0.938 0.531 CB 1.152 33 residues pruned to eliminate duplicates Z: 38 17.134 1.957 0.562 0.442 0.892 0.514 CB 1.096 38 residues pruned to eliminate duplicates Z: 32 24.655 2.043 0.806 0.570 0.935 0.774 CB 1.200 32 residues pruned to eliminate duplicates Z: 33 23.438 2.019 0.726 0.588 0.938 0.688 CB 1.166 33 residues pruned to eliminate duplicates Z: 35 20.596 1.994 0.582 0.528 0.912 0.618 CB 1.195 35 residues pruned to eliminate duplicates Z: 22 21.342 2.038 0.784 0.607 0.905 0.762 CB 1.279 22 residues pruned to eliminate duplicates Z: 30 17.134 1.980 0.602 0.494 0.828 0.586 CB 1.219 30 residues pruned to eliminate duplicates Z: 32 20.443 2.028 0.666 0.491 0.871 0.677 CB 1.259 32 residues pruned to eliminate duplicates Z: 62 31.044 1.978 0.712 0.489 0.934 0.574 CB 1.271 62 residues pruned to eliminate duplicates Z: 34 21.835 2.026 0.574 0.553 0.909 0.606 CB 1.245 34 residues pruned to eliminate duplicates Z: 29 20.503 2.014 0.625 0.522 0.893 0.679 CB 1.297 29 residues pruned to eliminate duplicates Z: 32 22.095 1.968 0.630 0.549 0.903 0.613 CB 1.305 32 residues pruned to eliminate duplicates Z: 33 19.084 1.976 0.737 0.532 0.875 0.625 CB 1.088 33 residues pruned to eliminate duplicates Z: 37 19.775 1.991 0.628 0.497 0.833 0.583 CB 1.224 37 residues pruned to eliminate duplicates Z: 18 16.904 2.097 0.587 0.673 0.941 0.765 CA 1.116 18 residues pruned to eliminate duplicates Z: 62 33.088 2.031 0.654 0.515 0.951 0.672 CB 1.307 60 residues pruned to eliminate duplicates Z: 6 3.049 1.381 0.401 0.345 0.800 0.600 CB 1.043 6 residues pruned to eliminate duplicates Z: 33 20.610 2.035 0.665 0.513 0.875 0.688 CB 1.213 33 residues pruned to eliminate duplicates Z: 18 21.638 1.871 0.901 0.734 1.000 0.765 CA 1.196 18 residues pruned to eliminate duplicates Z: 38 24.238 1.994 0.617 0.423 0.973 0.649 CA 1.377 38 residues pruned to eliminate duplicates Z: 62 33.209 2.038 0.697 0.504 0.934 0.689 CB 1.310 62 residues pruned to eliminate duplicates Z: 13 23.683 1.986 0.849 0.720 1.000 0.167 CA 1.525 13 residues pruned to eliminate duplicates Z: 62 26.992 1.960 0.618 0.432 0.918 0.590 CB 1.273 62 residues pruned to eliminate duplicates Z: 23 16.321 1.945 0.770 0.429 0.818 0.591 CB 1.329 23 residues pruned to eliminate duplicates Z: 61 29.678 2.016 0.667 0.484 0.900 0.583 CB 1.287 61 residues pruned to eliminate duplicates Z: 60 28.986 2.001 0.612 0.450 0.915 0.627 CB 1.345 60 residues pruned to eliminate duplicates Z: 14 16.185 1.908 0.792 0.724 0.923 0.462 CA 1.162 14 residues pruned to eliminate duplicates Z: 20 15.903 1.958 0.649 0.433 0.895 0.421 CB 1.353 20 residues pruned to eliminate duplicates Z: 38 22.834 2.017 0.657 0.406 0.946 0.649 CB 1.311 38 residues pruned to eliminate duplicates Z: 63 32.165 1.994 0.685 0.481 0.952 0.565 CB 1.302 62 residues pruned to eliminate duplicates Z: 11 19.345 1.977 0.899 0.790 0.900 0.800 CA 1.403 11 residues pruned to eliminate duplicates Z: 38 25.108 2.028 0.649 0.459 0.946 0.595 CB 1.361 38 residues pruned to eliminate duplicates Z: 16 14.183 1.806 0.710 0.369 1.000 0.733 CA 1.364 16 residues pruned to eliminate duplicates Z: 15 11.647 1.901 0.785 0.337 0.857 0.643 CB 1.279 15 residues pruned to eliminate duplicates Z: 16 13.944 1.874 0.785 0.363 1.000 0.667 CB 1.247 17 residues pruned to eliminate duplicates Z: 7 5.743 1.449 0.654 0.524 1.000 0.667 CA 0.955 7 residues pruned to eliminate duplicates Z: 60 27.027 1.986 0.630 0.446 0.881 0.559 CB 1.304 60 residues pruned to eliminate duplicates Z: 16 12.147 1.828 0.546 0.368 0.933 0.800 CB 1.369 16 residues pruned to eliminate duplicates Z: 15 14.283 1.982 0.710 0.414 1.000 0.786 CB 1.232 15 residues pruned to eliminate duplicates Z: 14 12.244 1.740 0.579 0.686 0.923 0.538 CA 1.129 14 residues pruned to eliminate duplicates Z: 13 10.679 1.728 0.425 0.764 1.000 0.750 CA 0.990 13 residues pruned to eliminate duplicates Z: 13 7.662 1.766 0.330 0.627 0.917 0.667 CA 0.911 13 residues pruned to eliminate duplicates Z: 12 11.550 1.807 0.495 0.767 1.000 0.636 CA 1.017 13 residues pruned to eliminate duplicates Z: 11 12.188 1.843 0.382 0.829 1.000 0.800 CA 1.139 11 residues pruned to eliminate duplicates Z: 11 14.042 1.845 0.415 0.857 1.000 0.900 CA 1.253 11 residues pruned to eliminate duplicates Z: 11 8.805 1.828 0.425 0.726 1.000 0.700 CA 0.872 11 residues pruned to eliminate duplicates Z: 14 9.455 1.743 0.389 0.700 0.923 0.462 CA 0.978 14 residues pruned to eliminate duplicates Z: 11 11.858 1.807 0.359 0.831 1.000 0.500 CA 1.147 11 residues pruned to eliminate duplicates Z: 12 11.170 1.741 0.397 0.786 1.000 0.636 CA 1.077 12 residues pruned to eliminate duplicates Z: 11 9.539 1.841 0.290 0.754 1.000 0.900 CA 1.013 11 residues pruned to eliminate duplicates Z: 75 29.494 1.908 0.521 0.550 0.892 0.622 CA 1.261 74 residues pruned to eliminate duplicates Z: 13 14.617 1.644 0.665 0.859 1.000 0.583 CA 1.134 13 residues pruned to eliminate duplicates Z: 19 14.607 1.771 0.596 0.474 0.944 0.667 CA 1.324 19 residues pruned to eliminate duplicates Z: 31 19.879 1.973 0.487 0.576 0.933 0.667 CA 1.231 31 residues pruned to eliminate duplicates Z: 62 31.862 1.963 0.639 0.508 0.918 0.574 CB 1.370 62 residues pruned to eliminate duplicates Z: 37 18.774 1.943 0.604 0.500 0.833 0.583 CA 1.205 37 residues pruned to eliminate duplicates Z: 30 19.567 1.925 0.665 0.577 0.931 0.690 CA 1.131 30 residues pruned to eliminate duplicates Z: 19 18.736 1.999 0.583 0.529 1.000 0.778 CA 1.356 19 residues pruned to eliminate duplicates Z: 32 17.112 1.887 0.446 0.480 0.935 0.710 CB 1.228 32 residues pruned to eliminate duplicates Z: 28 18.991 1.981 0.571 0.611 0.889 0.741 CA 1.189 28 residues pruned to eliminate duplicates Z: 31 19.777 1.954 0.586 0.544 0.933 0.767 CA 1.195 31 residues pruned to eliminate duplicates Z: 47 30.935 2.062 0.701 0.561 0.913 0.630 CA 1.343 47 residues pruned to eliminate duplicates Z: 47 24.744 1.993 0.561 0.515 0.848 0.478 CB 1.363 47 residues pruned to eliminate duplicates Z: 60 31.499 2.003 0.534 0.534 0.949 0.695 CB 1.360 60 residues pruned to eliminate duplicates Z: 31 18.305 1.971 0.520 0.520 0.900 0.700 CA 1.215 31 residues pruned to eliminate duplicates Z: 30 22.417 2.015 0.642 0.561 0.931 0.655 CA 1.274 30 residues pruned to eliminate duplicates Z: 31 18.671 1.963 0.548 0.561 0.867 0.633 CA 1.220 31 residues pruned to eliminate duplicates Z: 35 17.569 2.010 0.522 0.523 0.853 0.618 CA 1.129 35 residues pruned to eliminate duplicates Z: 38 23.359 1.980 0.603 0.518 0.919 0.568 CB 1.294 38 residues pruned to eliminate duplicates Z: 24 19.978 1.968 0.741 0.625 0.913 0.739 CA 1.184 24 residues pruned to eliminate duplicates Z: 31 22.002 1.977 0.643 0.588 0.933 0.700 CA 1.218 31 residues pruned to eliminate duplicates Z: 27 21.285 1.938 0.847 0.558 0.923 0.577 CA 1.194 27 residues pruned to eliminate duplicates Z: 33 24.115 2.025 0.671 0.596 0.938 0.625 CA 1.226 33 residues pruned to eliminate duplicates Z: 46 30.224 2.060 0.733 0.556 0.889 0.578 CA 1.345 46 residues pruned to eliminate duplicates Z: 21 17.105 2.078 0.484 0.592 0.900 0.600 CA 1.262 21 residues pruned to eliminate duplicates Z: 37 22.530 2.018 0.588 0.515 0.917 0.639 CA 1.259 37 residues pruned to eliminate duplicates Z: 9 9.130 2.032 0.286 0.493 1.000 0.500 CA 1.243 9 residues pruned to eliminate duplicates Z: 30 18.953 1.963 0.548 0.520 0.966 0.621 CA 1.176 30 residues pruned to eliminate duplicates Z: 12 7.087 1.758 0.275 0.466 0.909 0.545 CA 1.086 12 residues pruned to eliminate duplicates Z: 15 9.814 1.906 0.656 0.339 0.786 0.500 CA 1.260 15 residues pruned to eliminate duplicates Z: 46 25.835 1.973 0.590 0.517 0.911 0.578 CA 1.325 46 residues pruned to eliminate duplicates Z: 62 29.714 1.968 0.580 0.531 0.918 0.672 CA 1.294 62 residues pruned to eliminate duplicates Z: 35 20.343 1.924 0.652 0.473 0.882 0.618 CA 1.278 35 residues pruned to eliminate duplicates Z: 39 22.945 2.024 0.567 0.458 0.868 0.605 CB 1.411 39 residues pruned to eliminate duplicates Z: 26 18.691 2.035 0.700 0.463 0.880 0.680 CB 1.274 26 residues pruned to eliminate duplicates Z: 53 24.704 1.913 0.617 0.416 0.923 0.442 CA 1.310 53 residues pruned to eliminate duplicates Z: 30 23.202 1.959 0.641 0.499 0.931 0.655 CA 1.441 30 residues pruned to eliminate duplicates Z: 35 25.305 2.038 0.603 0.495 0.941 0.559 CB 1.418 35 residues pruned to eliminate duplicates Z: 62 30.181 1.966 0.643 0.480 0.934 0.574 CA 1.306 62 residues pruned to eliminate duplicates Z: 59 30.386 1.967 0.648 0.510 0.879 0.603 CA 1.386 59 residues pruned to eliminate duplicates Z: 19 14.731 1.956 0.501 0.470 0.889 0.611 CA 1.372 19 residues pruned to eliminate duplicates Z: 36 24.786 2.014 0.696 0.464 0.886 0.629 CA 1.436 36 residues pruned to eliminate duplicates Z: 59 29.154 1.987 0.583 0.499 0.897 0.586 CA 1.360 59 residues pruned to eliminate duplicates Z: 28 20.249 2.064 0.621 0.497 0.926 0.704 CA 1.262 28 residues pruned to eliminate duplicates Z: 39 27.449 2.024 0.778 0.465 0.921 0.711 CB 1.392 39 residues pruned to eliminate duplicates Z: 38 26.526 2.009 0.689 0.482 0.946 0.676 CA 1.384 38 residues pruned to eliminate duplicates Z: 30 25.740 2.025 0.708 0.488 0.966 0.690 CB 1.449 30 residues pruned to eliminate duplicates Z: 47 28.170 2.014 0.699 0.525 0.891 0.587 CA 1.329 47 residues pruned to eliminate duplicates Z: 38 21.385 1.949 0.595 0.482 0.865 0.649 CA 1.332 38 residues pruned to eliminate duplicates Z: 28 24.558 2.025 0.637 0.544 0.926 0.667 CB 1.474 28 residues pruned to eliminate duplicates Z: 60 32.775 2.012 0.708 0.494 0.915 0.627 CA 1.364 60 residues pruned to eliminate duplicates Z: 61 31.911 2.014 0.674 0.510 0.900 0.683 CA 1.344 61 residues pruned to eliminate duplicates Z: 39 24.482 1.982 0.623 0.473 0.921 0.711 CA 1.378 39 residues pruned to eliminate duplicates Z: 41 22.809 1.913 0.676 0.441 0.900 0.650 CB 1.328 41 residues pruned to eliminate duplicates Z: 61 29.988 1.999 0.599 0.503 0.900 0.567 CA 1.342 61 residues pruned to eliminate duplicates Z: 39 25.734 1.993 0.680 0.480 0.921 0.684 CA 1.381 39 residues pruned to eliminate duplicates Z: 31 24.372 2.013 0.636 0.477 0.933 0.600 CA 1.482 31 residues pruned to eliminate duplicates Z: 31 20.684 1.961 0.600 0.477 0.933 0.800 CA 1.320 31 residues pruned to eliminate duplicates Z: 15 13.879 1.897 0.623 0.383 1.000 0.714 CB 1.364 15 residues pruned to eliminate duplicates Z: 29 24.720 2.003 0.668 0.492 0.929 0.714 CB 1.519 29 residues pruned to eliminate duplicates Z: 29 23.833 1.987 0.553 0.514 0.964 0.786 CA 1.492 29 residues pruned to eliminate duplicates Z: 45 30.518 2.039 0.763 0.494 0.909 0.705 CA 1.416 45 residues pruned to eliminate duplicates Z: 12 6.376 1.593 0.110 0.593 1.000 0.636 CA 0.994 12 residues pruned to eliminate duplicates Z: 9 4.847 1.704 0.203 0.488 0.750 0.625 CB 1.128 9 residues pruned to eliminate duplicates Z: 18 9.389 1.651 0.445 0.459 0.882 0.647 CA 1.128 18 residues pruned to eliminate duplicates Z: 7 4.364 1.740 0.447 0.645 0.833 0.500 CA 0.741 Z: 7 4.351 1.715 0.250 0.718 1.000 0.500 CA 0.681 7 residues pruned to eliminate duplicates 6 1.906 1.652 0.400 0.644 0.800 0.600 CA 0.403 ? Z: 7 4.230 1.449 0.537 0.831 1.000 0.500 CA 0.583 7 residues pruned to eliminate duplicates Z: 30 14.439 1.838 0.600 0.422 0.862 0.655 CB 1.147 30 residues pruned to eliminate duplicates Z: 22 10.719 1.746 0.403 0.543 0.857 0.714 CA 1.068 22 residues pruned to eliminate duplicates Z: 30 13.889 1.795 0.614 0.352 0.828 0.621 CA 1.264 30 residues pruned to eliminate duplicates Z: 11 8.536 1.812 0.562 0.391 0.900 0.700 CA 1.189 11 residues pruned to eliminate duplicates Z: 27 10.529 1.671 0.481 0.419 0.846 0.538 CA 1.073 27 residues pruned to eliminate duplicates Z: 11 7.309 1.726 0.447 0.341 0.900 0.800 CA 1.223 11 residues pruned to eliminate duplicates Z: 24 12.168 1.772 0.370 0.377 0.870 0.609 CA 1.371 24 residues pruned to eliminate duplicates Z: 14 6.763 1.558 0.354 0.424 0.846 0.462 CA 1.138 14 residues pruned to eliminate duplicates Z: 20 11.301 1.831 0.588 0.335 0.842 0.474 CA 1.268 20 residues pruned to eliminate duplicates Z: 46 15.555 1.846 0.474 0.333 0.822 0.467 CB 1.245 46 residues pruned to eliminate duplicates Z: 107 33.831 1.942 0.505 0.450 0.887 0.557 CB 1.334 138 residues pruned to eliminate duplicates Z: 6 4.468 1.548 0.384 0.540 0.800 0.400 CA 1.122 6 residues pruned to eliminate duplicates Z: 16 7.042 1.858 0.413 0.310 0.667 0.333 CB 1.283 16 residues pruned to eliminate duplicates Z: 91 33.344 1.974 0.501 0.522 0.844 0.567 CB 1.374 91 residues pruned to eliminate duplicates Z: 42 19.514 1.870 0.630 0.444 0.829 0.561 CB 1.277 42 residues pruned to eliminate duplicates Z: 84 39.486 2.002 0.494 0.573 0.952 0.590 CB 1.418 83 residues pruned to eliminate duplicates Z: 6 2.058 1.651 0.223 0.334 0.600 0.200 CB 0.911 6 residues pruned to eliminate duplicates Z: 76 37.922 2.030 0.488 0.584 0.947 0.573 CB 1.412 76 residues pruned to eliminate duplicates Z: 14 15.100 1.919 0.651 0.793 0.846 0.462 CA 1.208 14 residues pruned to eliminate duplicates Z: 67 38.117 2.049 0.469 0.631 0.939 0.727 CB 1.467 67 residues pruned to eliminate duplicates Z: 13 12.822 1.858 0.456 0.889 0.833 0.583 CA 1.183 13 residues pruned to eliminate duplicates Z: 78 36.398 2.011 0.509 0.548 0.922 0.623 CA 1.415 78 residues pruned to eliminate duplicates Z: 21 12.008 1.883 0.263 0.568 0.850 0.300 CB 1.244 21 residues pruned to eliminate duplicates Z: 66 35.675 2.040 0.438 0.629 0.938 0.692 CB 1.424 66 residues pruned to eliminate duplicates Z: 82 37.858 2.019 0.455 0.554 0.963 0.617 CA 1.410 82 residues pruned to eliminate duplicates Z: 67 39.417 2.054 0.514 0.638 0.939 0.652 CB 1.460 67 residues pruned to eliminate duplicates Z: 66 39.086 2.049 0.525 0.649 0.923 0.631 CB 1.462 66 residues pruned to eliminate duplicates Z: 68 36.160 2.012 0.515 0.605 0.940 0.567 CB 1.394 68 residues pruned to eliminate duplicates Z: 66 42.222 2.066 0.604 0.662 0.938 0.662 CB 1.450 66 residues pruned to eliminate duplicates Z: 14 14.895 1.805 0.800 0.789 0.846 0.385 CA 1.165 14 residues pruned to eliminate duplicates Z: 63 28.603 1.966 0.479 0.565 0.855 0.452 CB 1.372 63 residues pruned to eliminate duplicates Z: 103 45.061 2.013 0.584 0.599 0.912 0.608 CA 1.396 103 residues pruned to eliminate duplicates Z: 68 38.341 2.027 0.500 0.632 0.940 0.627 CA 1.448 68 residues pruned to eliminate duplicates Z: 65 34.363 2.045 0.393 0.603 0.969 0.625 CB 1.412 65 residues pruned to eliminate duplicates Z: 61 32.422 2.022 0.425 0.608 0.933 0.750 CB 1.404 61 residues pruned to eliminate duplicates Z: 52 32.461 2.071 0.407 0.618 0.941 0.706 CB 1.482 52 residues pruned to eliminate duplicates Z: 42 30.362 2.049 0.555 0.650 0.927 0.512 CB 1.396 42 residues pruned to eliminate duplicates Z: 51 29.005 2.052 0.373 0.575 0.960 0.720 CB 1.410 51 residues pruned to eliminate duplicates Z: 67 33.255 2.031 0.475 0.591 0.894 0.561 CB 1.401 67 residues pruned to eliminate duplicates Z: 64 36.120 2.036 0.429 0.620 0.968 0.587 CB 1.442 64 residues pruned to eliminate duplicates Z: 65 37.373 2.049 0.501 0.609 0.953 0.656 CB 1.437 65 residues pruned to eliminate duplicates Z: 66 38.550 2.048 0.567 0.602 0.908 0.538 CB 1.490 67 residues pruned to eliminate duplicates Z: 17 23.688 2.065 0.489 0.775 1.000 0.812 CB 1.511 17 residues pruned to eliminate duplicates Z: 66 32.488 1.962 0.524 0.588 0.877 0.631 CB 1.413 66 residues pruned to eliminate duplicates Z: 52 33.734 2.042 0.543 0.580 0.961 0.647 CB 1.445 52 residues pruned to eliminate duplicates Z: 66 38.124 2.039 0.592 0.611 0.954 0.646 CB 1.374 66 residues pruned to eliminate duplicates Z: 53 34.148 2.034 0.591 0.592 0.942 0.596 CB 1.422 53 residues pruned to eliminate duplicates Z: 81 35.624 1.989 0.556 0.547 0.863 0.488 CB 1.425 81 residues pruned to eliminate duplicates Z: 68 39.388 2.021 0.617 0.625 0.925 0.567 CB 1.414 68 residues pruned to eliminate duplicates Z: 67 27.429 1.931 0.492 0.449 0.879 0.500 CA 1.406 67 residues pruned to eliminate duplicates Z: 44 34.177 2.094 0.539 0.614 0.977 0.721 CA 1.486 44 residues pruned to eliminate duplicates Z: 54 31.359 2.026 0.574 0.574 0.925 0.585 CB 1.360 54 residues pruned to eliminate duplicates Z: 62 37.453 2.061 0.593 0.604 0.918 0.492 CB 1.442 62 residues pruned to eliminate duplicates Z: 64 41.885 2.053 0.619 0.635 0.968 0.667 CB 1.445 64 residues pruned to eliminate duplicates Z: 71 31.561 1.978 0.601 0.447 0.886 0.500 CB 1.420 71 residues pruned to eliminate duplicates Z: 67 38.132 2.034 0.531 0.612 0.939 0.606 CB 1.442 67 residues pruned to eliminate duplicates Z: 74 36.942 2.003 0.570 0.595 0.918 0.534 CB 1.368 74 residues pruned to eliminate duplicates Z: 91 33.064 1.939 0.472 0.490 0.889 0.500 CB 1.387 91 residues pruned to eliminate duplicates Z: 66 40.355 2.047 0.615 0.616 0.954 0.662 CB 1.422 66 residues pruned to eliminate duplicates Z: 73 36.875 2.019 0.596 0.588 0.903 0.569 CB 1.373 73 residues pruned to eliminate duplicates Z: 13 8.613 1.909 0.162 0.453 0.917 0.417 CA 1.283 13 residues pruned to eliminate duplicates Z: 74 39.893 2.026 0.628 0.595 0.918 0.630 CB 1.408 74 residues pruned to eliminate duplicates Z: 87 35.975 1.960 0.588 0.511 0.895 0.558 CB 1.377 87 residues pruned to eliminate duplicates Z: 82 35.628 1.972 0.536 0.523 0.926 0.580 CB 1.379 82 residues pruned to eliminate duplicates Z: 26 20.528 1.990 0.376 0.633 0.920 0.640 CB 1.439 26 residues pruned to eliminate duplicates Z: 25 20.671 2.024 0.329 0.667 1.000 0.750 CB 1.345 25 residues pruned to eliminate duplicates Z: 64 37.556 2.055 0.586 0.627 0.921 0.460 CB 1.399 64 residues pruned to eliminate duplicates Z: 28 19.636 1.906 0.513 0.592 0.926 0.556 CA 1.296 28 residues pruned to eliminate duplicates Z: 25 17.535 1.969 0.187 0.653 0.958 0.708 CB 1.386 25 residues pruned to eliminate duplicates Z: 67 42.208 2.041 0.611 0.655 0.939 0.606 CB 1.457 67 residues pruned to eliminate duplicates Z: 14 13.679 1.948 0.228 0.858 0.923 0.769 CB 1.265 14 residues pruned to eliminate duplicates Z: 66 39.773 2.051 0.560 0.628 0.954 0.538 CB 1.433 66 residues pruned to eliminate duplicates Z: 73 35.487 2.017 0.573 0.592 0.889 0.556 CB 1.358 73 residues pruned to eliminate duplicates Z: 27 18.928 1.954 0.419 0.604 0.885 0.654 CB 1.371 27 residues pruned to eliminate duplicates Z: 72 32.766 1.982 0.523 0.544 0.887 0.535 CB 1.390 72 residues pruned to eliminate duplicates Z: 67 43.050 2.046 0.639 0.652 0.970 0.530 CB 1.414 67 residues pruned to eliminate duplicates Z: 71 36.578 2.000 0.525 0.604 0.929 0.557 CB 1.399 71 residues pruned to eliminate duplicates Z: 85 34.434 1.982 0.622 0.529 0.833 0.476 CB 1.363 85 residues pruned to eliminate duplicates Z: 77 36.720 1.971 0.553 0.591 0.921 0.461 CB 1.370 77 residues pruned to eliminate duplicates Z: 7 2.490 1.564 0.251 0.402 0.833 0.500 CB 0.692 Z: 6 3.978 1.472 0.444 0.464 1.000 0.400 CB 0.869 6 residues pruned to eliminate duplicates Z: 12 6.125 1.853 0.351 0.238 0.909 0.636 CB 1.100 13 residues pruned to eliminate duplicates Z: 6 2.631 1.459 -0.070 0.456 1.000 0.600 CB 0.907 6 residues pruned to eliminate duplicates Z: 10 5.950 1.873 0.328 0.317 0.889 0.556 CB 1.097 10 residues pruned to eliminate duplicates Z: 14 20.231 2.075 0.576 0.775 1.000 0.615 CA 1.346 14 residues pruned to eliminate duplicates Z: 40 22.672 1.943 0.653 0.499 0.923 0.615 CA 1.227 40 residues pruned to eliminate duplicates Z: 55 34.786 2.028 0.660 0.585 0.944 0.667 CA 1.372 55 residues pruned to eliminate duplicates Z: 39 22.953 1.993 0.472 0.482 1.000 0.605 CA 1.292 39 residues pruned to eliminate duplicates Z: 12 11.607 2.023 0.433 0.647 0.909 0.636 CA 1.157 12 residues pruned to eliminate duplicates Z: 23 18.267 1.938 0.453 0.643 0.955 0.636 CA 1.267 23 residues pruned to eliminate duplicates Z: 39 20.864 1.984 0.401 0.511 0.947 0.579 CA 1.271 39 residues pruned to eliminate duplicates Z: 40 22.405 1.902 0.622 0.500 0.974 0.641 CA 1.194 40 residues pruned to eliminate duplicates Z: 24 21.562 1.957 0.793 0.637 0.913 0.565 CA 1.234 24 residues pruned to eliminate duplicates Z: 36 24.273 2.026 0.521 0.507 0.971 0.600 CA 1.360 36 residues pruned to eliminate duplicates Z: 17 24.733 1.976 0.836 0.896 1.000 0.750 CA 1.221 17 residues pruned to eliminate duplicates Z: 67 36.572 2.028 0.665 0.531 0.955 0.636 CB 1.354 67 residues pruned to eliminate duplicates Z: 14 23.221 2.019 0.847 0.885 0.923 0.615 CA 1.351 14 residues pruned to eliminate duplicates Z: 38 27.479 2.016 0.669 0.518 1.000 0.622 CA 1.319 38 residues pruned to eliminate duplicates Z: 39 26.200 1.999 0.704 0.485 0.974 0.605 CA 1.301 39 residues pruned to eliminate duplicates Z: 34 20.231 1.950 0.546 0.505 0.909 0.606 CB 1.278 34 residues pruned to eliminate duplicates Z: 56 41.190 2.061 0.745 0.613 0.982 0.691 CA 1.413 56 residues pruned to eliminate duplicates Z: 39 27.314 1.994 0.704 0.492 1.000 0.526 CA 1.315 39 residues pruned to eliminate duplicates Z: 38 28.352 2.023 0.728 0.512 1.000 0.514 CA 1.318 51 residues pruned to eliminate duplicates Z: 6 3.666 1.577 0.245 0.437 1.000 0.800 CA 0.891 6 residues pruned to eliminate duplicates Z: 18 12.323 2.022 0.453 0.407 0.941 0.529 CB 1.192 18 residues pruned to eliminate duplicates Z: 19 13.026 2.018 0.518 0.363 0.944 0.500 CB 1.229 19 residues pruned to eliminate duplicates Z: 66 38.027 2.050 0.709 0.548 0.938 0.615 CB 1.369 54 residues pruned to eliminate duplicates Z: 6 2.969 1.686 0.097 0.368 1.000 0.200 CA 0.828 6 residues pruned to eliminate duplicates Z: 18 11.232 1.953 0.402 0.356 1.000 0.588 CB 1.162 18 residues pruned to eliminate duplicates Z: 34 27.488 2.027 0.607 0.567 1.000 0.515 CA 1.376 34 residues pruned to eliminate duplicates Z: 38 25.624 2.022 0.615 0.519 0.973 0.595 CA 1.301 38 residues pruned to eliminate duplicates Z: 90 39.750 2.029 0.665 0.512 0.933 0.528 CA 1.321 90 residues pruned to eliminate duplicates Z: 55 37.550 2.079 0.683 0.588 0.944 0.685 CA 1.421 55 residues pruned to eliminate duplicates Z: 39 27.205 2.011 0.766 0.503 0.947 0.605 CA 1.307 39 residues pruned to eliminate duplicates Z: 55 39.567 2.059 0.663 0.610 0.981 0.574 CA 1.444 55 residues pruned to eliminate duplicates Z: 44 28.978 2.042 0.611 0.541 0.977 0.512 CB 1.321 44 residues pruned to eliminate duplicates Z: 54 38.480 2.093 0.637 0.602 0.962 0.585 CA 1.454 54 residues pruned to eliminate duplicates Z: 37 27.269 2.075 0.609 0.522 0.972 0.556 CB 1.370 37 residues pruned to eliminate duplicates Z: 55 40.941 2.094 0.735 0.606 0.963 0.574 CA 1.439 55 residues pruned to eliminate duplicates Z: 55 35.404 2.080 0.591 0.565 0.963 0.611 CB 1.420 55 residues pruned to eliminate duplicates Z: 20 38.626 2.202 0.971 0.758 1.000 0.632 CA 1.623 20 residues pruned to eliminate duplicates Z: 20 35.801 2.185 0.878 0.745 1.000 0.684 CA 1.607 20 residues pruned to eliminate duplicates Z: 13 34.518 2.241 0.933 0.899 1.000 0.667 CA 1.644 13 residues pruned to eliminate duplicates Z: 56 39.975 2.050 0.731 0.602 0.982 0.655 CA 1.404 56 residues pruned to eliminate duplicates Z: 54 38.047 2.084 0.634 0.586 0.962 0.528 CB 1.469 54 residues pruned to eliminate duplicates Z: 54 39.954 2.091 0.748 0.587 0.962 0.528 CB 1.436 54 residues pruned to eliminate duplicates Z: 20 31.107 2.153 0.825 0.685 1.000 0.684 CB 1.533 20 residues pruned to eliminate duplicates Z: 56 36.443 2.046 0.669 0.601 0.945 0.545 CB 1.382 56 residues pruned to eliminate duplicates Z: 35 30.107 2.108 0.638 0.585 0.971 0.529 CB 1.419 35 residues pruned to eliminate duplicates Z: 21 35.618 2.134 0.906 0.747 1.000 0.500 CB 1.570 21 residues pruned to eliminate duplicates Z: 20 38.026 2.190 1.043 0.736 1.000 0.474 CB 1.578 20 residues pruned to eliminate duplicates Z: 21 30.130 2.166 0.911 0.722 0.900 0.300 CB 1.480 21 residues pruned to eliminate duplicates Z: 21 32.829 2.151 0.892 0.702 1.000 0.500 CB 1.501 21 residues pruned to eliminate duplicates Z: 36 28.996 2.115 0.683 0.563 0.971 0.429 CB 1.334 36 residues pruned to eliminate duplicates Z: 6 7.940 1.734 0.529 0.681 1.000 0.800 N 1.134 6 residues pruned to eliminate duplicates Z: 11 6.612 1.571 0.435 0.419 0.900 0.700 CB 1.121 9 residues pruned to eliminate duplicates Z: 8 11.303 1.811 0.936 0.483 1.000 0.571 CA 1.240 8 residues pruned to eliminate duplicates Z: 21 19.381 1.971 0.841 0.387 0.950 0.550 CB 1.417 21 residues pruned to eliminate duplicates Z: 20 17.391 1.981 0.752 0.371 1.000 0.474 CB 1.320 20 residues pruned to eliminate duplicates Z: 20 20.100 1.993 0.839 0.377 1.000 0.526 CB 1.434 20 residues pruned to eliminate duplicates Z: 22 17.402 1.920 0.822 0.329 0.905 0.476 CB 1.446 22 residues pruned to eliminate duplicates Z: 49 33.075 2.026 0.708 0.467 0.958 0.458 CA 1.488 49 residues pruned to eliminate duplicates Z: 25 22.315 1.947 0.736 0.409 0.958 0.500 CB 1.546 27 residues pruned to eliminate duplicates Z: 7 17.011 2.038 1.034 0.627 1.000 0.500 CA 1.486 7 residues pruned to eliminate duplicates Z: 20 19.214 2.007 0.824 0.377 1.000 0.474 CB 1.372 20 residues pruned to eliminate duplicates Z: 22 17.763 1.922 0.866 0.392 0.810 0.476 CB 1.497 22 residues pruned to eliminate duplicates Z: 24 18.939 1.983 0.947 0.414 0.783 0.478 CA 1.430 24 residues pruned to eliminate duplicates Z: 55 32.088 1.994 0.764 0.446 0.926 0.500 CA 1.418 55 residues pruned to eliminate duplicates Z: 27 19.833 1.929 0.873 0.382 0.885 0.538 CA 1.380 27 residues pruned to eliminate duplicates Z: 31 22.334 1.922 0.788 0.438 0.900 0.567 CA 1.406 31 residues pruned to eliminate duplicates Z: 30 21.476 1.900 0.866 0.394 0.862 0.517 CA 1.459 30 residues pruned to eliminate duplicates Z: 55 31.638 1.976 0.783 0.446 0.907 0.481 CA 1.424 55 residues pruned to eliminate duplicates Z: 18 12.313 1.857 0.711 0.365 0.882 0.471 CA 1.231 18 residues pruned to eliminate duplicates Z: 28 22.248 1.990 0.859 0.390 0.926 0.481 CA 1.404 28 residues pruned to eliminate duplicates Z: 51 31.553 2.005 0.804 0.448 0.900 0.520 CA 1.446 51 residues pruned to eliminate duplicates Z: 55 34.489 1.977 0.865 0.423 0.963 0.519 CB 1.433 55 residues pruned to eliminate duplicates Z: 51 32.824 2.026 0.776 0.474 0.940 0.560 CA 1.410 51 residues pruned to eliminate duplicates Z: 28 27.438 2.030 0.775 0.511 0.963 0.556 CB 1.505 28 residues pruned to eliminate duplicates Z: 50 29.515 1.998 0.860 0.473 0.898 0.510 CA 1.298 50 residues pruned to eliminate duplicates Z: 29 21.783 2.015 0.618 0.510 0.893 0.571 CA 1.400 29 residues pruned to eliminate duplicates Z: 67 32.944 1.964 0.696 0.417 0.924 0.591 CA 1.436 68 residues pruned to eliminate duplicates Z: 15 27.406 2.243 0.777 0.856 1.000 0.643 CA 1.355 15 residues pruned to eliminate duplicates Z: 26 21.024 2.018 0.693 0.556 0.960 0.600 CA 1.214 26 residues pruned to eliminate duplicates Z: 23 27.235 2.104 0.765 0.657 1.000 0.591 CA 1.351 23 residues pruned to eliminate duplicates Z: 30 21.612 2.007 0.647 0.460 0.931 0.448 CA 1.359 30 residues pruned to eliminate duplicates Z: 22 26.941 2.154 0.614 0.650 1.000 0.667 CA 1.470 22 residues pruned to eliminate duplicates Z: 25 24.713 2.068 0.571 0.585 0.958 0.542 CA 1.494 25 residues pruned to eliminate duplicates Z: 39 22.027 1.930 0.530 0.455 0.921 0.368 CB 1.376 39 residues pruned to eliminate duplicates Z: 24 21.981 2.083 0.619 0.575 0.957 0.391 CA 1.322 24 residues pruned to eliminate duplicates Z: 29 22.640 1.968 0.646 0.507 0.929 0.643 CA 1.412 29 residues pruned to eliminate duplicates Z: 25 22.704 2.056 0.576 0.598 0.917 0.417 CA 1.421 25 residues pruned to eliminate duplicates Z: 22 28.403 2.135 0.647 0.660 1.000 0.524 CA 1.520 22 residues pruned to eliminate duplicates Z: 33 22.445 1.984 0.480 0.517 0.938 0.531 CB 1.418 33 residues pruned to eliminate duplicates Z: 26 19.011 1.995 0.444 0.540 0.960 0.680 CA 1.322 26 residues pruned to eliminate duplicates Z: 49 35.194 2.053 0.811 0.469 0.938 0.583 CA 1.503 49 residues pruned to eliminate duplicates Z: 27 22.870 2.060 0.503 0.568 0.923 0.462 CB 1.470 27 residues pruned to eliminate duplicates Z: 49 34.727 2.000 0.792 0.490 0.979 0.521 CA 1.442 49 residues pruned to eliminate duplicates Z: 26 26.763 2.073 0.797 0.614 0.920 0.720 CB 1.402 26 residues pruned to eliminate duplicates Z: 27 23.993 2.044 0.765 0.577 0.885 0.462 CA 1.369 27 residues pruned to eliminate duplicates Z: 27 22.961 2.030 0.791 0.569 0.846 0.500 CB 1.368 27 residues pruned to eliminate duplicates Z: 6 3.729 1.827 0.890 0.455 0.600 0.600 CB 0.843 6 residues pruned to eliminate duplicates Z: 6 3.661 1.832 0.588 0.462 0.600 0.600 CB 0.975 6 residues pruned to eliminate duplicates Z: 7 5.326 1.754 0.415 0.487 0.833 0.667 CB 1.065 Z: 15 30.548 2.210 0.877 0.829 1.000 0.786 CA 1.481 16 residues pruned to eliminate duplicates Z: 17 26.427 2.102 0.767 0.784 0.938 0.625 CA 1.478 17 residues pruned to eliminate duplicates Z: 60 31.404 1.996 0.650 0.524 0.898 0.559 CB 1.350 64 residues pruned to eliminate duplicates Z: 16 25.203 2.090 0.538 0.843 1.000 0.600 CA 1.507 16 residues pruned to eliminate duplicates Z: 17 26.807 2.132 0.862 0.737 0.938 0.562 CA 1.456 17 residues pruned to eliminate duplicates Z: 19 29.344 2.103 0.852 0.693 1.000 0.722 CA 1.489 27 residues pruned to eliminate duplicates Z: 15 26.173 2.077 0.781 0.916 1.000 0.786 CA 1.335 15 residues pruned to eliminate duplicates Z: 18 23.612 2.105 0.868 0.691 0.882 0.529 CA 1.386 18 residues pruned to eliminate duplicates Z: 18 28.214 2.142 0.807 0.689 1.000 0.647 CA 1.486 18 residues pruned to eliminate duplicates Z: 20 22.855 2.003 0.831 0.650 0.947 0.632 CA 1.311 20 residues pruned to eliminate duplicates Z: 39 27.556 1.952 0.715 0.529 0.868 0.579 CB 1.495 32 residues pruned to eliminate duplicates Z: 14 32.757 2.160 1.051 0.913 1.000 0.615 CA 1.452 14 residues pruned to eliminate duplicates Z: 26 28.872 2.016 0.882 0.652 0.880 0.560 CA 1.502 26 residues pruned to eliminate duplicates Z: 22 26.239 1.922 0.951 0.630 0.952 0.381 CA 1.419 22 residues pruned to eliminate duplicates Z: 19 32.999 2.072 1.092 0.689 0.944 0.444 CA 1.598 19 residues pruned to eliminate duplicates Z: 45 42.439 2.093 1.035 0.628 0.932 0.455 CA 1.429 45 residues pruned to eliminate duplicates Z: 35 23.634 2.035 0.652 0.522 0.941 0.559 CB 1.253 35 residues pruned to eliminate duplicates Z: 86 39.096 2.013 0.554 0.543 0.906 0.576 CA 1.435 86 residues pruned to eliminate duplicates Z: 44 36.284 2.092 0.742 0.610 0.977 0.512 CA 1.400 44 residues pruned to eliminate duplicates Z: 44 32.716 2.059 0.889 0.613 0.907 0.535 CA 1.270 44 residues pruned to eliminate duplicates Z: 64 37.583 2.032 0.712 0.551 0.952 0.619 CA 1.360 64 residues pruned to eliminate duplicates Z: 33 31.829 2.096 0.774 0.581 1.000 0.625 CA 1.399 33 residues pruned to eliminate duplicates Z: 63 30.259 2.016 0.527 0.494 0.903 0.532 CB 1.391 63 residues pruned to eliminate duplicates Z: 49 33.177 2.061 0.761 0.563 0.875 0.417 CA 1.418 49 residues pruned to eliminate duplicates Z: 55 40.569 2.099 0.886 0.531 0.944 0.426 CA 1.433 62 residues pruned to eliminate duplicates Z: 7 4.408 1.683 0.907 0.410 1.000 0.167 CA 0.617 Z: 8 10.230 1.602 0.709 0.587 1.000 0.857 N 1.300 4 residues pruned to eliminate duplicates Z: 7 8.973 1.916 0.996 0.433 0.833 0.667 CA 1.232 7 residues pruned to eliminate duplicates Z: 23 16.168 2.029 0.660 0.503 0.818 0.318 CB 1.247 9 residues pruned to eliminate duplicates Z: 14 15.211 1.997 0.576 0.759 0.923 0.308 CB 1.153 14 residues pruned to eliminate duplicates Z: 77 38.625 2.066 0.562 0.554 0.961 0.487 CA 1.356 102 residues pruned to eliminate duplicates Z: 26 16.738 1.995 0.657 0.497 0.840 0.440 CB 1.209 Z: 10 19.117 2.008 0.903 0.860 1.000 0.333 CB 1.226 16 residues pruned to eliminate duplicates Z: 10 17.108 1.987 1.052 0.843 0.889 0.111 CB 1.172 10 residues pruned to eliminate duplicates Z: 22 11.752 1.895 0.718 0.454 0.762 0.238 CB 1.083 22 residues pruned to eliminate duplicates Z: 50 36.748 2.073 0.789 0.574 0.918 0.531 CA 1.435 50 residues pruned to eliminate duplicates Z: 48 33.105 2.077 0.772 0.583 0.936 0.532 CA 1.294 48 residues pruned to eliminate duplicates Z: 20 15.707 2.004 0.651 0.554 0.842 0.368 CB 1.228 12 residues pruned to eliminate duplicates Z: 10 15.646 2.120 1.125 0.644 1.000 0.111 CB 1.012 10 residues pruned to eliminate duplicates Z: 65 29.580 2.012 0.613 0.471 0.844 0.406 CB 1.391 65 residues pruned to eliminate duplicates Z: 30 20.035 2.001 0.778 0.481 0.897 0.517 CB 1.189 58 residues pruned to eliminate duplicates Z: 11 5.146 1.869 0.187 0.351 0.800 0.400 CA 1.077 6 1.470 1.505 -0.091 0.182 0.800 0.400 CA 0.881 ? Z: 6 5.001 1.733 -0.013 0.421 1.000 0.600 CA 1.419 7 residues pruned to eliminate duplicates Z: 16 15.119 1.862 0.456 0.690 0.933 0.600 CA 1.296 Z: 15 16.701 1.878 0.544 0.729 1.000 0.571 CA 1.253 14 residues pruned to eliminate duplicates Z: 14 15.914 1.844 0.522 0.736 1.000 0.462 CA 1.272 14 residues pruned to eliminate duplicates Z: 36 22.079 1.969 0.531 0.446 0.914 0.629 CB 1.431 24 residues pruned to eliminate duplicates Z: 12 17.757 2.008 0.604 0.799 0.818 0.364 CA 1.564 12 residues pruned to eliminate duplicates Z: 25 15.594 1.950 0.391 0.514 0.833 0.417 CA 1.388 25 residues pruned to eliminate duplicates Z: 38 20.464 1.957 0.519 0.467 0.865 0.486 CA 1.354 38 residues pruned to eliminate duplicates Z: 30 19.185 2.010 0.426 0.466 0.931 0.517 CA 1.382 30 residues pruned to eliminate duplicates Z: 38 20.840 1.953 0.460 0.484 0.892 0.568 CB 1.368 38 residues pruned to eliminate duplicates Z: 15 14.140 1.733 0.696 0.788 0.929 0.571 CA 1.075 15 residues pruned to eliminate duplicates Z: 39 20.064 1.954 0.344 0.434 0.921 0.421 CB 1.442 39 residues pruned to eliminate duplicates Z: 75 40.065 2.050 0.647 0.536 0.919 0.554 CA 1.448 136 residues pruned to eliminate duplicates Z: 14 16.332 1.941 0.557 0.690 1.000 0.538 CA 1.259 14 residues pruned to eliminate duplicates Z: 35 22.800 2.046 0.413 0.485 0.941 0.676 CA 1.459 34 residues pruned to eliminate duplicates Z: 6 7.147 2.016 0.872 0.364 1.000 0.400 CA 0.980 6 residues pruned to eliminate duplicates Z: 39 20.443 1.985 0.415 0.427 0.895 0.579 CA 1.423 37 residues pruned to eliminate duplicates Z: 6 4.387 1.902 0.331 0.391 0.800 0.400 CB 1.088 6 residues pruned to eliminate duplicates Z: 75 29.982 2.016 0.554 0.442 0.865 0.419 CB 1.365 75 residues pruned to eliminate duplicates Z: 36 20.333 2.035 0.386 0.439 0.886 0.457 CA 1.464 36 residues pruned to eliminate duplicates Z: 42 28.236 1.922 0.524 0.611 0.951 0.488 CA 1.425 39 residues pruned to eliminate duplicates Z: 13 21.617 2.001 1.026 0.916 0.917 0.750 CB 1.186 16 residues pruned to eliminate duplicates Z: 15 20.194 1.894 0.849 0.907 1.000 0.714 CB 1.096 15 residues pruned to eliminate duplicates Z: 17 23.065 1.944 0.868 0.770 0.938 0.562 CB 1.333 17 residues pruned to eliminate duplicates Z: 23 19.870 1.918 0.596 0.683 0.864 0.500 CB 1.354 23 residues pruned to eliminate duplicates Z: 25 22.456 1.887 0.692 0.663 0.958 0.500 CB 1.288 25 residues pruned to eliminate duplicates Z: 18 19.162 1.946 0.769 0.690 0.941 0.529 CB 1.205 18 residues pruned to eliminate duplicates Z: 19 19.436 1.873 0.805 0.717 0.889 0.611 CB 1.252 19 residues pruned to eliminate duplicates Z: 52 26.179 1.901 0.517 0.538 0.882 0.451 CB 1.388 52 residues pruned to eliminate duplicates Z: 23 21.708 1.936 0.619 0.661 0.909 0.545 CB 1.399 23 residues pruned to eliminate duplicates Z: 26 15.467 1.827 0.629 0.507 0.840 0.560 CB 1.229 26 residues pruned to eliminate duplicates Z: 34 15.520 1.841 0.346 0.572 0.848 0.455 CB 1.199 31 residues pruned to eliminate duplicates Z: 9 7.602 1.793 0.468 0.564 0.875 0.375 CB 1.096 9 residues pruned to eliminate duplicates Z: 34 25.803 2.042 0.705 0.505 0.879 0.485 CB 1.461 34 residues pruned to eliminate duplicates Z: 55 31.079 2.051 0.512 0.573 0.907 0.537 CB 1.401 55 residues pruned to eliminate duplicates Z: 54 40.392 2.085 0.729 0.603 0.962 0.660 CB 1.450 54 residues pruned to eliminate duplicates Z: 50 27.393 2.009 0.603 0.482 0.918 0.469 CB 1.347 50 residues pruned to eliminate duplicates Z: 24 24.069 2.043 0.526 0.611 0.957 0.652 CA 1.516 24 residues pruned to eliminate duplicates Z: 28 24.455 2.029 0.595 0.582 0.926 0.667 CB 1.451 28 residues pruned to eliminate duplicates Z: 26 25.091 2.034 0.634 0.612 0.960 0.680 CB 1.414 26 residues pruned to eliminate duplicates Z: 54 35.100 2.094 0.577 0.581 0.962 0.642 CB 1.404 54 residues pruned to eliminate duplicates Z: 23 25.815 2.086 0.696 0.668 0.955 0.773 CA 1.396 23 residues pruned to eliminate duplicates Z: 25 26.751 2.080 0.653 0.647 0.958 0.667 CB 1.445 25 residues pruned to eliminate duplicates Z: 60 33.505 2.029 0.574 0.572 0.949 0.695 CB 1.342 60 residues pruned to eliminate duplicates Z: 26 22.382 1.986 0.701 0.519 0.960 0.720 CA 1.355 26 residues pruned to eliminate duplicates Z: 61 36.455 2.050 0.666 0.570 0.933 0.667 CB 1.381 61 residues pruned to eliminate duplicates Z: 54 35.545 2.083 0.629 0.567 0.962 0.679 CB 1.401 54 residues pruned to eliminate duplicates Z: 55 34.631 2.071 0.628 0.552 0.944 0.648 CB 1.406 55 residues pruned to eliminate duplicates Z: 55 36.272 2.072 0.677 0.560 0.963 0.648 CB 1.391 55 residues pruned to eliminate duplicates Z: 53 36.375 2.105 0.642 0.570 0.942 0.538 CB 1.447 53 residues pruned to eliminate duplicates Z: 55 38.553 2.084 0.597 0.614 0.981 0.648 CB 1.442 55 residues pruned to eliminate duplicates Z: 54 39.854 2.069 0.744 0.579 0.962 0.642 CB 1.461 54 residues pruned to eliminate duplicates Z: 62 32.251 2.051 0.582 0.543 0.902 0.623 CB 1.354 62 residues pruned to eliminate duplicates Z: 38 28.050 2.012 0.715 0.520 0.973 0.649 CB 1.347 38 residues pruned to eliminate duplicates Z: 63 28.298 1.967 0.579 0.462 0.919 0.484 CB 1.308 70 residues pruned to eliminate duplicates Z: 7 2.933 1.481 0.191 0.465 0.833 0.667 CB 0.844 7 residues pruned to eliminate duplicates Z: 55 36.446 2.077 0.639 0.577 0.944 0.556 CB 1.433 55 residues pruned to eliminate duplicates Z: 37 27.029 2.031 0.611 0.500 0.944 0.722 CA 1.458 37 residues pruned to eliminate duplicates Z: 39 26.229 1.984 0.776 0.471 0.895 0.553 CB 1.390 39 residues pruned to eliminate duplicates Z: 35 29.071 2.073 0.695 0.541 0.941 0.765 CB 1.449 35 residues pruned to eliminate duplicates Z: 48 28.407 1.997 0.616 0.528 0.894 0.681 CB 1.397 48 residues pruned to eliminate duplicates Z: 36 27.310 2.039 0.717 0.560 0.886 0.571 CB 1.404 36 residues pruned to eliminate duplicates Z: 33 22.295 2.041 0.650 0.507 0.875 0.562 CB 1.329 33 residues pruned to eliminate duplicates Z: 56 36.208 2.038 0.634 0.586 0.927 0.600 CA 1.455 56 residues pruned to eliminate duplicates Z: 54 35.261 2.058 0.637 0.577 0.943 0.566 CB 1.415 54 residues pruned to eliminate duplicates Z: 30 17.677 1.976 0.402 0.550 0.897 0.621 CB 1.258 30 residues pruned to eliminate duplicates Z: 61 36.626 2.048 0.698 0.547 0.917 0.567 CB 1.416 61 residues pruned to eliminate duplicates Z: 55 37.939 2.079 0.673 0.577 0.944 0.574 CB 1.459 55 residues pruned to eliminate duplicates Z: 45 30.321 2.056 0.659 0.500 0.977 0.545 CB 1.371 45 residues pruned to eliminate duplicates Z: 62 38.065 2.046 0.720 0.550 0.951 0.574 CB 1.387 54 residues pruned to eliminate duplicates Z: 17 17.326 1.862 0.445 0.751 1.000 0.625 CA 1.287 17 residues pruned to eliminate duplicates Z: 54 37.091 2.073 0.588 0.607 0.962 0.642 CB 1.453 54 residues pruned to eliminate duplicates Z: 55 35.780 2.049 0.673 0.568 0.926 0.593 CB 1.436 55 residues pruned to eliminate duplicates Z: 56 37.585 2.081 0.644 0.564 0.945 0.491 CB 1.473 56 residues pruned to eliminate duplicates Z: 20 24.315 2.114 0.755 0.682 0.895 0.526 CB 1.422 20 residues pruned to eliminate duplicates Z: 96 48.298 2.037 0.700 0.560 0.926 0.505 CA 1.457 62 residues pruned to eliminate duplicates Z: 10 23.033 2.180 0.755 0.919 1.000 0.444 CB 1.414 10 residues pruned to eliminate duplicates Z: 54 39.513 2.083 0.807 0.586 0.962 0.547 CB 1.380 54 residues pruned to eliminate duplicates Z: 25 22.775 1.979 0.703 0.567 0.958 0.500 CB 1.349 25 residues pruned to eliminate duplicates Z: 55 37.584 2.050 0.757 0.560 0.944 0.574 CB 1.419 55 residues pruned to eliminate duplicates Z: 58 34.967 2.023 0.692 0.536 0.912 0.579 CB 1.431 58 residues pruned to eliminate duplicates Z: 53 36.831 2.067 0.752 0.564 0.885 0.558 CB 1.499 53 residues pruned to eliminate duplicates Z: 21 25.126 2.078 0.835 0.659 0.900 0.550 CB 1.413 21 residues pruned to eliminate duplicates Z: 61 37.766 2.053 0.731 0.553 0.950 0.567 CB 1.371 61 residues pruned to eliminate duplicates Z: 44 21.331 1.920 0.686 0.452 0.837 0.488 CB 1.261 44 residues pruned to eliminate duplicates Z: 62 32.805 2.012 0.637 0.540 0.902 0.443 CB 1.361 62 residues pruned to eliminate duplicates Z: 61 36.333 2.046 0.662 0.575 0.917 0.650 CB 1.400 61 residues pruned to eliminate duplicates Z: 84 42.462 2.029 0.691 0.559 0.892 0.566 CB 1.439 84 residues pruned to eliminate duplicates Z: 10 4.739 1.729 0.546 0.443 0.556 0.556 CA 1.128 10 residues pruned to eliminate duplicates Z: 27 21.481 2.002 0.799 0.592 0.731 0.462 CA 1.465 27 residues pruned to eliminate duplicates Z: 86 38.208 1.992 0.712 0.511 0.847 0.565 CA 1.420 41 residues pruned to eliminate duplicates Z: 18 19.232 2.057 0.369 0.725 1.000 0.706 CA 1.353 18 residues pruned to eliminate duplicates Z: 52 36.447 2.006 0.747 0.616 0.922 0.529 CA 1.416 52 residues pruned to eliminate duplicates Z: 41 27.963 2.038 0.678 0.545 0.900 0.450 CA 1.375 41 residues pruned to eliminate duplicates Z: 34 27.337 1.998 0.683 0.540 0.939 0.636 CA 1.450 34 residues pruned to eliminate duplicates Z: 19 22.837 1.941 0.826 0.647 0.889 0.333 CA 1.489 19 residues pruned to eliminate duplicates Z: 18 21.396 2.050 0.748 0.659 0.882 0.412 CA 1.417 18 residues pruned to eliminate duplicates Z: 20 23.082 2.032 0.739 0.628 0.895 0.368 CA 1.485 20 residues pruned to eliminate duplicates Z: 18 21.696 2.074 0.736 0.646 0.824 0.235 CA 1.549 18 residues pruned to eliminate duplicates Z: 40 31.762 2.032 0.696 0.584 0.923 0.462 CA 1.475 40 residues pruned to eliminate duplicates Z: 41 31.440 2.018 0.744 0.558 0.900 0.575 CA 1.483 41 residues pruned to eliminate duplicates Z: 28 21.215 1.846 0.750 0.524 0.889 0.370 CA 1.389 28 residues pruned to eliminate duplicates Z: 33 31.480 2.051 0.759 0.579 0.969 0.500 CA 1.476 33 residues pruned to eliminate duplicates Z: 76 42.231 2.041 0.715 0.575 0.907 0.493 CB 1.429 76 residues pruned to eliminate duplicates Z: 34 26.089 2.035 0.661 0.548 0.909 0.515 CA 1.410 34 residues pruned to eliminate duplicates Z: 35 28.192 1.997 0.849 0.505 0.941 0.441 CA 1.385 35 residues pruned to eliminate duplicates Z: 42 34.975 2.016 0.805 0.604 0.902 0.439 CA 1.508 42 residues pruned to eliminate duplicates Z: 58 32.464 1.980 0.687 0.559 0.895 0.456 CB 1.359 58 residues pruned to eliminate duplicates Z: 32 24.039 2.005 0.854 0.499 0.806 0.419 CA 1.442 32 residues pruned to eliminate duplicates Z: 36 26.689 1.935 0.790 0.508 0.943 0.543 CA 1.372 36 residues pruned to eliminate duplicates Z: 41 26.694 2.023 0.602 0.523 0.850 0.525 CA 1.498 41 residues pruned to eliminate duplicates Z: 40 27.330 2.027 0.736 0.516 0.846 0.615 CA 1.447 40 residues pruned to eliminate duplicates Z: 43 26.652 1.947 0.698 0.498 0.881 0.500 CA 1.415 43 residues pruned to eliminate duplicates Z: 32 29.522 2.036 0.704 0.566 0.968 0.387 CA 1.483 32 residues pruned to eliminate duplicates Z: 38 24.495 1.957 0.783 0.447 0.892 0.541 CA 1.367 38 residues pruned to eliminate duplicates Z: 32 24.143 1.992 0.598 0.542 0.935 0.645 CA 1.397 32 residues pruned to eliminate duplicates Z: 20 14.191 1.872 0.921 0.311 0.789 0.526 CA 1.415 20 residues pruned to eliminate duplicates Z: 43 29.932 2.008 0.746 0.591 0.833 0.524 CA 1.448 43 residues pruned to eliminate duplicates Z: 56 31.662 1.973 0.747 0.532 0.855 0.527 CB 1.405 56 residues pruned to eliminate duplicates Z: 44 28.261 2.007 0.681 0.539 0.837 0.419 CA 1.469 44 residues pruned to eliminate duplicates Z: 39 30.599 1.962 0.730 0.569 0.921 0.526 CA 1.485 39 residues pruned to eliminate duplicates Z: 48 31.126 1.995 0.635 0.600 0.894 0.617 CA 1.415 48 residues pruned to eliminate duplicates Z: 49 29.405 1.947 0.820 0.523 0.833 0.458 CA 1.405 49 residues pruned to eliminate duplicates Z: 52 34.827 1.967 0.847 0.562 0.882 0.529 CA 1.432 56 residues pruned to eliminate duplicates Z: 11 13.468 1.933 0.529 0.851 0.900 0.800 CB 1.185 11 residues pruned to eliminate duplicates Z: 13 11.067 1.848 0.786 0.589 0.833 0.583 CA 1.067 13 residues pruned to eliminate duplicates Z: 28 22.422 1.879 0.766 0.543 0.926 0.630 CB 1.347 28 residues pruned to eliminate duplicates Z: 11 16.553 1.994 0.985 0.702 0.900 0.800 CB 1.223 11 residues pruned to eliminate duplicates Z: 14 11.310 1.825 1.151 0.580 0.769 0.692 CA 0.962 14 residues pruned to eliminate duplicates Z: 47 29.016 1.969 0.711 0.565 0.913 0.696 CA 1.306 47 residues pruned to eliminate duplicates Z: 20 15.494 1.846 0.524 0.576 0.947 0.632 CA 1.240 20 residues pruned to eliminate duplicates Z: 22 14.237 1.797 0.566 0.592 0.905 0.667 CB 1.117 22 residues pruned to eliminate duplicates Z: 47 25.961 1.944 0.615 0.530 0.891 0.543 CB 1.328 47 residues pruned to eliminate duplicates Z: 6 2.815 1.410 0.686 0.234 0.800 0.400 C 0.901 Z: 7 4.435 1.640 0.178 0.502 0.833 0.667 CA 1.123 Z: 6 4.023 1.410 0.399 0.603 0.800 0.800 CA 1.033 Z: 7 2.698 1.412 0.060 0.316 1.000 0.333 CA 0.902 Z: 15 21.230 1.970 0.776 0.689 1.000 0.571 CA 1.364 15 residues pruned to eliminate duplicates Z: 36 20.160 1.959 0.548 0.480 0.886 0.514 CA 1.295 36 residues pruned to eliminate duplicates Z: 44 25.310 1.947 0.558 0.469 0.907 0.535 CA 1.447 44 residues pruned to eliminate duplicates Z: 34 21.771 2.004 0.598 0.484 0.939 0.667 CA 1.280 34 residues pruned to eliminate duplicates Z: 34 22.293 1.999 0.661 0.475 0.939 0.576 CA 1.277 34 residues pruned to eliminate duplicates Z: 123 49.257 2.015 0.656 0.532 0.885 0.434 CB 1.462 123 residues pruned to eliminate duplicates Z: 34 17.705 1.924 0.538 0.438 0.909 0.485 CA 1.222 34 residues pruned to eliminate duplicates Z: 38 20.117 1.975 0.562 0.420 0.865 0.595 CA 1.347 38 residues pruned to eliminate duplicates Z: 37 18.893 1.931 0.517 0.444 0.889 0.583 CA 1.281 37 residues pruned to eliminate duplicates Z: 35 21.802 2.011 0.533 0.484 0.941 0.618 CA 1.310 35 residues pruned to eliminate duplicates Z: 41 20.316 1.921 0.520 0.452 0.900 0.575 CA 1.284 47 residues pruned to eliminate duplicates Z: 34 25.108 2.039 0.699 0.479 0.939 0.636 CA 1.372 34 residues pruned to eliminate duplicates Z: 37 23.876 1.957 0.678 0.478 0.944 0.583 CA 1.312 37 residues pruned to eliminate duplicates Z: 39 21.164 1.952 0.629 0.452 0.921 0.553 CA 1.232 39 residues pruned to eliminate duplicates Z: 54 25.218 1.881 0.574 0.527 0.906 0.660 CA 1.258 37 residues pruned to eliminate duplicates Z: 6 3.710 1.768 0.652 0.277 0.800 0.600 CA 0.914 Z: 6 4.219 1.890 0.778 0.469 0.800 0.800 CA 0.724 6 residues pruned to eliminate duplicates Z: 11 13.277 1.680 0.674 0.586 1.000 0.700 N 1.374 Z: 8 8.253 1.607 0.853 0.565 0.857 0.714 CA 1.148 8 residues pruned to eliminate duplicates Z: 15 12.742 2.004 0.685 0.314 0.929 0.571 CA 1.333 15 residues pruned to eliminate duplicates Z: 17 10.432 1.961 0.490 0.284 0.938 0.625 CA 1.214 9 residues pruned to eliminate duplicates Z: 10 5.686 1.518 0.730 0.759 0.667 0.444 CB 0.859 10 residues pruned to eliminate duplicates Z: 33 18.733 1.905 0.587 0.436 0.844 0.562 CA 1.387 33 residues pruned to eliminate duplicates Z: 62 31.421 1.914 0.618 0.552 0.951 0.492 CB 1.299 62 residues pruned to eliminate duplicates Z: 10 10.459 1.742 0.538 0.782 1.000 0.333 CB 1.015 10 residues pruned to eliminate duplicates Z: 27 13.037 1.772 0.504 0.586 0.846 0.462 CB 1.043 27 residues pruned to eliminate duplicates Z: 20 17.360 1.855 0.609 0.666 0.947 0.632 CB 1.209 20 residues pruned to eliminate duplicates Z: 15 7.282 1.657 0.540 0.592 0.786 0.429 CB 0.889 15 residues pruned to eliminate duplicates Z: 21 16.236 1.867 0.404 0.660 0.900 0.550 CB 1.326 21 residues pruned to eliminate duplicates Z: 26 12.008 1.693 0.458 0.521 0.800 0.520 CB 1.191 26 residues pruned to eliminate duplicates Z: 26 17.118 1.770 0.566 0.550 0.880 0.600 CB 1.337 26 residues pruned to eliminate duplicates Z: 47 21.595 1.819 0.395 0.600 0.978 0.587 CB 1.166 67 residues pruned to eliminate duplicates Z: 15 17.694 1.975 0.652 0.651 0.929 0.429 CA 1.357 15 residues pruned to eliminate duplicates Z: 44 23.955 1.819 0.573 0.598 0.907 0.488 CB 1.282 44 residues pruned to eliminate duplicates Z: 26 19.720 1.947 0.529 0.568 0.880 0.600 CA 1.410 31 residues pruned to eliminate duplicates Z: 11 22.117 2.079 0.858 0.916 1.000 0.900 CA 1.278 14 residues pruned to eliminate duplicates Z: 13 18.871 1.851 0.676 0.912 1.000 0.917 CA 1.243 13 residues pruned to eliminate duplicates Z: 17 21.288 1.913 0.630 0.697 1.000 0.750 CA 1.427 15 residues pruned to eliminate duplicates Z: 11 20.536 2.099 0.573 0.928 1.000 0.600 CA 1.378 11 residues pruned to eliminate duplicates Z: 15 16.873 1.919 0.704 0.647 0.857 0.500 CA 1.403 15 residues pruned to eliminate duplicates Z: 25 19.753 1.945 0.525 0.614 0.875 0.542 CA 1.395 25 residues pruned to eliminate duplicates Z: 18 18.942 1.856 0.649 0.693 0.941 0.412 CA 1.337 15 residues pruned to eliminate duplicates Z: 11 23.032 2.039 1.041 0.911 1.000 0.600 CA 1.240 11 residues pruned to eliminate duplicates Z: 19 14.549 1.776 0.705 0.615 0.889 0.278 CA 1.143 19 residues pruned to eliminate duplicates Z: 15 21.366 1.934 0.792 0.762 0.929 0.429 CA 1.406 15 residues pruned to eliminate duplicates Z: 17 18.249 1.785 0.773 0.674 0.875 0.375 CA 1.403 17 residues pruned to eliminate duplicates Z: 14 11.654 1.783 0.614 0.446 0.923 0.538 CA 1.286 14 residues pruned to eliminate duplicates Z: 42 21.335 1.827 0.450 0.565 0.878 0.463 CB 1.346 42 residues pruned to eliminate duplicates Z: 28 17.868 1.853 0.461 0.567 0.926 0.556 CB 1.286 28 residues pruned to eliminate duplicates Z: 46 19.108 1.835 0.346 0.533 0.889 0.600 CB 1.256 46 residues pruned to eliminate duplicates Z: 27 18.427 1.905 0.394 0.593 0.923 0.731 CB 1.349 27 residues pruned to eliminate duplicates Z: 88 35.734 1.967 0.459 0.544 0.931 0.529 CB 1.374 88 residues pruned to eliminate duplicates Z: 54 22.112 1.794 0.546 0.481 0.849 0.509 CA 1.315 54 residues pruned to eliminate duplicates Z: 40 20.165 1.858 0.416 0.559 0.923 0.615 CB 1.256 40 residues pruned to eliminate duplicates Z: 27 19.154 1.912 0.542 0.571 0.846 0.308 CA 1.406 27 residues pruned to eliminate duplicates Z: 63 30.351 1.899 0.575 0.585 0.887 0.581 CB 1.340 63 residues pruned to eliminate duplicates Z: 15 7.337 1.845 0.420 0.538 0.857 0.571 CB 0.841 15 residues pruned to eliminate duplicates Z: 6 10.066 1.967 0.607 0.782 1.000 0.600 CB 1.112 Z: 9 8.217 1.691 0.356 0.807 1.000 0.375 CA 0.969 7 residues pruned to eliminate duplicates Z: 7 7.621 1.896 0.168 0.789 1.000 0.833 CB 1.090 7 residues pruned to eliminate duplicates Z: 12 7.609 1.614 0.558 0.515 0.909 0.545 CB 0.988 12 residues pruned to eliminate duplicates Z: 11 3.451 1.492 0.629 0.275 0.700 0.200 CB 0.827 9 residues pruned to eliminate duplicates 901 residues left after pruning, divided into chains as follows: A: 17 B: 9 C: 6 D: 20 E: 11 F: 75 G: 16 H: 38 I: 56 J: 62 K: 146 L: 66 M: 67 N: 81 O: 208 P: 8 Q: 15 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 49.14 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.388, Connect. = 0.692 for dens.mod. cycle 1 = 0.300, Contrast = 0.456, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.534, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.542, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.551, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.557, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.768 for dens.mod. cycle 10 TimeTaking 340.72