null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:05:11 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: ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.ins Phases from ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.phi Native data from ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.hkl Listing output to ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.lst Phases output to ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.phs Poly-Ala trace output to ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 127340 Reflections read from file ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.phi 127340 Reflections read from file ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.hkl 127340 Unique data, highest resolution = 1.460 Angstroms Anisotropic scaling: intensities multiplied by -0.000076h^2 -0.000027k^2 +0.000053l^2 +0.000000kl +0.000000hl +0.000000hk 1541 Reflections with d > 1.660 and 0 in range 1.660 > d > 1.460 added Density sharpening factor set to 1.56 Fourier grid = 128 x 256 x 60 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.648 ** -f missing ?? ** = 0.300, Contrast = 0.206, Connect. = 0.602 for dens.mod. cycle 1 = 0.300, Contrast = 0.444, Connect. = 0.695 for dens.mod. cycle 2 = 0.300, Contrast = 0.681, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.741, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.761, Connect. = 0.810 for dens.mod. cycle 5 = 0.300, Contrast = 0.770, Connect. = 0.814 for dens.mod. cycle 6 = 0.300, Contrast = 0.777, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.781, Connect. = 0.819 for dens.mod. cycle 8 = 0.300, Contrast = 0.784, Connect. = 0.820 for dens.mod. cycle 9 = 0.300, Contrast = 0.786, Connect. = 0.821 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3886 peaks > 0.5 sigma used to seed fragment search Space for about 886 unique residues taking solvent into account 809 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 68 57.397 2.339 0.889 0.515 0.940 0.701 CB 1.662 B: 42 35.803 2.314 0.869 0.396 0.902 0.561 CB 1.599 42 residues pruned to eliminate duplicates C: 69 57.986 2.279 1.021 0.508 0.912 0.515 CB 1.661 68 residues pruned to eliminate duplicates D: 23 73.290 2.477 1.405 0.902 0.955 0.773 CB 1.960 E: 22 83.289 2.617 1.361 0.929 1.000 0.810 CB 2.058 23 residues pruned to eliminate duplicates F: 10 29.797 2.252 1.421 0.812 0.889 0.667 CB 1.562 G: 24 71.548 2.455 1.276 0.908 0.957 0.913 CB 1.982 24 residues pruned to eliminate duplicates H: 24 67.365 2.353 1.188 0.890 1.000 0.696 C 1.964 I: 45 50.760 2.410 1.000 0.499 0.909 0.682 CB 1.747 45 residues pruned to eliminate duplicates J: 23 69.036 2.445 1.097 0.930 1.000 0.909 CB 2.008 24 residues pruned to eliminate duplicates K: 23 77.726 2.506 1.347 0.921 1.000 0.909 CB 1.982 22 residues pruned to eliminate duplicates L: 23 75.498 2.435 1.416 0.906 1.000 0.682 CB 1.947 23 residues pruned to eliminate duplicates M: 22 66.542 2.591 1.043 0.927 0.952 0.905 CB 2.018 22 residues pruned to eliminate duplicates N: 10 25.442 2.244 0.897 0.796 0.889 0.778 CB 1.729 10 residues pruned to eliminate duplicates O: 9 43.572 2.434 1.487 0.874 1.000 0.875 CB 1.852 10 residues pruned to eliminate duplicates P: 23 70.363 2.461 1.154 0.905 1.000 0.955 CB 2.014 22 residues pruned to eliminate duplicates Q: 24 79.566 2.442 1.425 0.917 1.000 0.783 CB 1.976 25 residues pruned to eliminate duplicates R: 8 42.013 2.522 1.390 0.888 1.000 0.857 C 1.898 8 residues pruned to eliminate duplicates S: 13 31.392 2.384 1.117 0.795 0.833 0.750 CA 1.664 13 residues pruned to eliminate duplicates T: 33 50.857 2.161 1.004 0.760 0.938 0.688 CB 1.758 U: 21 53.131 2.404 0.817 0.953 1.000 0.950 CA 1.873 21 residues pruned to eliminate duplicates V: 10 30.497 2.426 1.233 0.869 1.000 0.778 CB 1.371 W: 22 79.470 2.617 1.250 0.924 1.000 0.857 CB 2.067 22 residues pruned to eliminate duplicates X: 10 21.908 2.207 0.503 0.865 0.889 0.778 CB 1.814 Y: 20 32.539 2.204 0.714 0.863 0.947 0.895 CB 1.530 Z: 10 25.024 2.256 0.773 0.849 0.889 0.556 C 1.739 10 residues pruned to eliminate duplicates Z: 23 70.461 2.509 1.123 0.927 1.000 0.955 CB 1.976 23 residues pruned to eliminate duplicates Z: 22 73.933 2.607 1.243 0.910 0.952 0.905 CB 2.055 22 residues pruned to eliminate duplicates Z: 7 9.633 2.104 0.189 0.834 0.833 0.667 CB 1.414 Z: 8 25.361 2.299 0.792 0.817 1.000 0.714 CA 1.766 Z: 10 18.537 2.174 0.652 0.785 0.778 0.778 C 1.722 10 residues pruned to eliminate duplicates Z: 23 47.781 2.469 0.684 0.929 0.909 0.773 CB 1.886 23 residues pruned to eliminate duplicates Z: 10 37.998 2.452 1.306 0.881 1.000 0.778 CB 1.622 10 residues pruned to eliminate duplicates Z: 106 90.421 2.365 1.126 0.594 0.924 0.648 CB 1.737 41 residues pruned to eliminate duplicates Z: 9 30.782 2.400 1.049 0.833 0.875 0.750 CB 1.898 9 residues pruned to eliminate duplicates Z: 18 34.987 2.378 0.617 0.857 1.000 0.706 CB 1.627 19 residues pruned to eliminate duplicates Z: 10 22.119 2.036 0.595 0.870 1.000 0.778 CA 1.657 10 residues pruned to eliminate duplicates Z: 9 17.471 1.907 0.825 0.746 1.000 0.750 C 1.424 9 residues pruned to eliminate duplicates Z: 12 37.916 2.173 1.573 0.758 1.000 0.545 CB 1.625 10 residues pruned to eliminate duplicates Z: 10 19.634 2.008 0.990 0.730 1.000 0.667 CB 1.332 10 residues pruned to eliminate duplicates Z: 21 51.104 2.361 0.878 0.946 0.950 0.950 CA 1.877 21 residues pruned to eliminate duplicates Z: 12 13.833 2.218 0.953 0.334 0.818 0.455 CB 1.411 12 residues pruned to eliminate duplicates Z: 8 22.414 2.182 0.696 0.752 1.000 0.857 C 1.829 8 residues pruned to eliminate duplicates Z: 41 32.987 2.082 0.769 0.590 0.900 0.575 CB 1.444 Z: 24 56.084 2.328 1.103 0.913 0.913 0.826 CB 1.851 24 residues pruned to eliminate duplicates Z: 20 33.734 2.206 0.813 0.839 0.947 0.789 CB 1.525 19 residues pruned to eliminate duplicates Z: 88 61.079 2.311 0.894 0.518 0.908 0.609 CB 1.618 80 residues pruned to eliminate duplicates Z: 136 90.823 2.317 0.919 0.596 0.956 0.681 CB 1.679 106 residues pruned to eliminate duplicates Z: 9 37.239 2.577 1.483 0.823 0.875 0.750 CB 1.777 10 residues pruned to eliminate duplicates Z: 14 27.369 2.160 0.757 0.793 0.923 0.846 C 1.676 14 residues pruned to eliminate duplicates Z: 11 24.671 2.169 0.918 0.849 0.900 0.900 CB 1.545 Z: 12 32.051 2.348 0.849 0.777 1.000 0.818 CB 1.744 Z: 24 70.141 2.375 1.315 0.915 0.957 0.826 CA 1.966 24 residues pruned to eliminate duplicates Z: 10 39.847 2.493 1.548 0.864 1.000 0.667 CB 1.534 12 residues pruned to eliminate duplicates Z: 20 51.431 2.377 0.965 0.917 0.947 0.895 CA 1.882 20 residues pruned to eliminate duplicates Z: 28 21.098 2.281 0.650 0.359 0.778 0.556 CB 1.615 28 residues pruned to eliminate duplicates Z: 9 41.837 2.550 1.437 0.852 1.000 0.875 CB 1.760 9 residues pruned to eliminate duplicates Z: 22 64.668 2.560 0.924 0.926 1.000 0.905 CB 2.009 22 residues pruned to eliminate duplicates Z: 10 21.331 2.106 0.545 0.886 0.889 0.444 CB 1.774 10 residues pruned to eliminate duplicates Z: 11 30.860 2.281 1.231 0.766 0.900 0.400 CB 1.682 11 residues pruned to eliminate duplicates Z: 43 49.236 2.335 0.995 0.564 0.905 0.690 CB 1.694 43 residues pruned to eliminate duplicates Z: 10 25.676 2.194 0.841 0.824 1.000 0.778 CB 1.601 10 residues pruned to eliminate duplicates Z: 18 11.236 2.018 0.707 0.316 0.765 0.294 CB 1.268 18 residues pruned to eliminate duplicates Z: 9 26.399 2.303 0.720 0.864 1.000 1.000 CB 1.727 9 residues pruned to eliminate duplicates Z: 9 19.531 1.991 0.797 0.832 1.000 0.750 CB 1.448 Z: 10 38.371 2.316 1.070 0.881 1.000 0.889 C 1.932 10 residues pruned to eliminate duplicates Z: 8 17.972 2.099 0.773 0.822 0.857 0.714 CA 1.611 8 residues pruned to eliminate duplicates Z: 8 17.055 2.246 0.482 0.777 0.857 0.286 CA 1.769 8 residues pruned to eliminate duplicates Z: 10 37.002 2.496 0.898 0.771 1.000 0.778 CB 2.049 10 residues pruned to eliminate duplicates Z: 24 65.147 2.362 1.224 0.910 0.957 0.652 CA 1.917 24 residues pruned to eliminate duplicates Z: 40 39.891 2.285 0.847 0.488 0.923 0.615 CB 1.661 21 residues pruned to eliminate duplicates Z: 24 64.577 2.351 1.275 0.926 0.957 0.652 CB 1.846 24 residues pruned to eliminate duplicates Z: 20 35.959 2.129 0.910 0.911 0.895 0.842 CB 1.606 20 residues pruned to eliminate duplicates Z: 22 61.462 2.445 0.972 0.922 1.000 0.905 CA 1.956 22 residues pruned to eliminate duplicates Z: 14 21.606 2.098 0.931 0.719 0.923 0.692 CB 1.314 Z: 9 12.754 2.016 0.517 0.828 0.750 0.750 CB 1.480 9 residues pruned to eliminate duplicates Z: 8 29.200 2.317 1.306 0.581 1.000 0.857 CA 1.911 Z: 23 65.803 2.495 1.078 0.913 1.000 0.818 CB 1.916 23 residues pruned to eliminate duplicates Z: 22 60.779 2.327 1.153 0.927 1.000 0.905 CB 1.856 Z: 34 45.474 2.388 0.992 0.550 0.939 0.636 CB 1.687 23 residues pruned to eliminate duplicates Z: 8 21.005 2.180 0.810 0.872 0.857 0.857 C 1.711 8 residues pruned to eliminate duplicates Z: 13 16.174 2.085 0.667 0.732 0.750 0.583 CB 1.455 13 residues pruned to eliminate duplicates Z: 74 70.207 2.267 1.120 0.609 0.945 0.644 CB 1.630 74 residues pruned to eliminate duplicates Z: 17 14.796 1.710 1.067 0.554 0.938 0.688 CB 1.059 17 residues pruned to eliminate duplicates Z: 23 40.856 2.110 0.913 0.892 0.955 0.864 CB 1.623 24 residues pruned to eliminate duplicates Z: 22 52.612 2.528 0.754 0.859 0.952 0.905 CB 2.000 22 residues pruned to eliminate duplicates Z: 126 71.787 2.220 0.842 0.585 0.944 0.688 CB 1.533 43 residues pruned to eliminate duplicates Z: 10 16.230 2.005 0.872 0.703 1.000 0.556 CB 1.199 10 residues pruned to eliminate duplicates Z: 23 69.104 2.419 1.169 0.929 1.000 0.818 CB 1.966 37 residues pruned to eliminate duplicates Z: 9 19.981 2.078 0.895 0.778 1.000 0.875 CB 1.404 9 residues pruned to eliminate duplicates Z: 9 19.671 2.052 0.556 0.802 1.000 0.875 CB 1.673 9 residues pruned to eliminate duplicates Z: 10 31.538 2.313 0.892 0.848 0.889 0.889 CA 2.005 10 residues pruned to eliminate duplicates Z: 81 64.274 2.272 1.026 0.583 0.913 0.650 CB 1.579 69 residues pruned to eliminate duplicates Z: 98 85.197 2.330 1.091 0.613 0.938 0.722 CB 1.700 90 residues pruned to eliminate duplicates Z: 8 18.779 2.082 0.725 0.826 1.000 0.714 CB 1.490 8 residues pruned to eliminate duplicates Z: 9 37.942 2.569 1.349 0.782 1.000 0.625 CB 1.735 9 residues pruned to eliminate duplicates Z: 12 25.671 2.274 0.776 0.706 0.909 0.818 CB 1.747 12 residues pruned to eliminate duplicates Z: 33 30.495 2.107 0.860 0.440 0.906 0.562 CB 1.614 33 residues pruned to eliminate duplicates Z: 9 26.134 2.198 1.025 0.816 1.000 0.875 CB 1.576 9 residues pruned to eliminate duplicates Z: 22 71.985 2.616 1.051 0.932 1.000 0.952 CB 2.044 22 residues pruned to eliminate duplicates Z: 42 44.759 2.355 0.794 0.514 0.927 0.732 CB 1.761 42 residues pruned to eliminate duplicates Z: 13 26.050 2.284 1.099 0.635 0.833 0.667 CB 1.659 14 residues pruned to eliminate duplicates Z: 22 56.586 2.309 1.036 0.917 1.000 0.905 CB 1.854 22 residues pruned to eliminate duplicates Z: 10 24.902 2.310 0.602 0.786 0.889 0.667 C 1.962 10 residues pruned to eliminate duplicates Z: 10 21.507 2.105 0.627 0.808 0.889 0.778 CB 1.800 10 residues pruned to eliminate duplicates Z: 22 57.982 2.302 1.142 0.913 1.000 0.857 CB 1.815 22 residues pruned to eliminate duplicates Z: 10 32.419 2.107 1.485 0.808 1.000 0.778 CB 1.578 10 residues pruned to eliminate duplicates Z: 23 47.114 2.217 0.847 0.893 1.000 0.818 CA 1.761 23 residues pruned to eliminate duplicates Z: 10 20.411 2.061 0.976 0.863 1.000 0.889 CB 1.226 10 residues pruned to eliminate duplicates Z: 64 46.117 2.204 0.916 0.474 0.921 0.556 CB 1.535 64 residues pruned to eliminate duplicates Z: 22 72.699 2.511 1.186 0.923 1.000 0.905 CB 2.031 22 residues pruned to eliminate duplicates Z: 13 26.846 2.094 0.664 0.893 1.000 0.750 CA 1.596 Z: 19 32.216 2.291 0.557 0.881 1.000 0.833 CB 1.542 19 residues pruned to eliminate duplicates Z: 22 45.757 2.206 0.915 0.905 1.000 0.810 CB 1.682 22 residues pruned to eliminate duplicates Z: 23 54.344 2.224 1.073 0.924 1.000 0.864 CB 1.764 23 residues pruned to eliminate duplicates Z: 66 41.876 2.174 0.640 0.498 0.938 0.631 CB 1.556 33 residues pruned to eliminate duplicates Z: 22 71.514 2.594 1.115 0.901 1.000 0.905 CB 2.030 22 residues pruned to eliminate duplicates Z: 9 27.500 2.223 1.259 0.789 0.875 0.750 CB 1.716 9 residues pruned to eliminate duplicates Z: 11 31.943 2.262 0.868 0.899 1.000 0.800 CA 1.708 12 residues pruned to eliminate duplicates Z: 18 36.502 2.272 0.594 0.946 1.000 0.765 CB 1.692 18 residues pruned to eliminate duplicates Z: 20 36.858 2.404 1.235 0.550 0.895 0.684 CB 1.675 20 residues pruned to eliminate duplicates Z: 19 83.435 2.525 1.627 0.960 1.000 0.944 CB 2.030 19 residues pruned to eliminate duplicates Z: 6 8.663 1.958 0.204 0.794 1.000 0.600 CB 1.270 6 residues pruned to eliminate duplicates Z: 38 32.569 2.136 0.788 0.598 0.919 0.703 CB 1.389 22 residues pruned to eliminate duplicates Z: 13 33.901 2.312 1.036 0.813 0.917 0.750 CB 1.728 13 residues pruned to eliminate duplicates Z: 23 48.554 2.240 0.844 0.907 1.000 0.909 CB 1.782 23 residues pruned to eliminate duplicates Z: 22 56.711 2.307 1.060 0.910 1.000 0.857 CB 1.847 22 residues pruned to eliminate duplicates Z: 14 32.131 2.177 0.956 0.818 1.000 0.692 CA 1.588 14 residues pruned to eliminate duplicates Z: 18 34.863 2.369 0.615 0.892 1.000 0.824 CB 1.587 18 residues pruned to eliminate duplicates Z: 18 35.190 2.309 0.640 0.900 1.000 1.000 CB 1.610 18 residues pruned to eliminate duplicates Z: 22 53.287 2.307 0.921 0.915 1.000 0.905 CA 1.855 22 residues pruned to eliminate duplicates Z: 19 35.561 2.300 0.734 0.886 1.000 0.833 CB 1.516 19 residues pruned to eliminate duplicates Z: 11 36.869 2.351 0.959 0.906 1.000 0.800 CB 1.801 11 residues pruned to eliminate duplicates Z: 9 17.253 2.075 0.576 0.856 1.000 0.875 CB 1.376 9 residues pruned to eliminate duplicates Z: 22 46.853 2.206 0.938 0.899 1.000 0.857 CB 1.708 22 residues pruned to eliminate duplicates Z: 27 27.121 2.076 0.750 0.608 0.923 0.769 CB 1.431 28 residues pruned to eliminate duplicates Z: 6 11.219 2.129 0.316 0.793 1.000 0.800 CA 1.385 6 residues pruned to eliminate duplicates Z: 22 48.311 2.316 0.756 0.909 1.000 0.857 CB 1.839 22 residues pruned to eliminate duplicates Z: 9 28.906 2.249 0.930 0.865 1.000 1.000 CB 1.726 9 residues pruned to eliminate duplicates Z: 10 21.626 2.129 0.803 0.843 0.778 0.778 CB 1.799 10 residues pruned to eliminate duplicates Z: 22 64.121 2.576 1.018 0.938 0.905 0.857 CB 2.069 22 residues pruned to eliminate duplicates Z: 10 20.529 2.124 0.605 0.806 0.889 0.667 CB 1.729 10 residues pruned to eliminate duplicates Z: 19 17.340 2.071 0.790 0.607 0.778 0.611 CB 1.281 18 residues pruned to eliminate duplicates Z: 24 67.173 2.359 1.202 0.923 1.000 0.565 CB 1.895 24 residues pruned to eliminate duplicates Z: 13 30.397 2.064 0.918 0.902 1.000 0.833 CA 1.581 13 residues pruned to eliminate duplicates Z: 22 25.855 2.187 0.999 0.519 0.905 0.667 CB 1.399 Z: 6 20.537 2.246 1.049 0.767 1.000 0.800 CB 1.575 6 residues pruned to eliminate duplicates Z: 39 32.698 2.140 0.777 0.496 0.947 0.684 CB 1.478 39 residues pruned to eliminate duplicates Z: 9 45.259 2.440 1.542 0.879 1.000 0.750 CB 1.870 9 residues pruned to eliminate duplicates Z: 9 22.404 2.228 0.851 0.794 0.875 0.875 CB 1.696 9 residues pruned to eliminate duplicates Z: 37 33.371 2.184 0.732 0.524 0.944 0.750 CB 1.520 37 residues pruned to eliminate duplicates Z: 106 69.496 2.295 0.877 0.554 0.905 0.648 CB 1.651 106 residues pruned to eliminate duplicates Z: 23 53.951 2.235 1.068 0.904 1.000 0.864 CA 1.773 23 residues pruned to eliminate duplicates Z: 9 22.179 2.249 0.844 0.771 0.875 0.875 CB 1.700 9 residues pruned to eliminate duplicates Z: 24 18.389 2.247 0.612 0.350 0.826 0.652 CB 1.508 24 residues pruned to eliminate duplicates Z: 28 26.136 2.033 0.649 0.591 0.963 0.778 CB 1.427 28 residues pruned to eliminate duplicates Z: 27 38.002 2.222 1.052 0.608 0.885 0.654 CB 1.668 19 residues pruned to eliminate duplicates Z: 9 19.929 1.917 0.923 0.890 1.000 0.750 CB 1.375 9 residues pruned to eliminate duplicates Z: 43 42.073 2.259 0.882 0.492 0.952 0.714 CB 1.616 43 residues pruned to eliminate duplicates Z: 13 24.171 2.035 0.641 0.897 1.000 0.917 CA 1.495 13 residues pruned to eliminate duplicates Z: 24 41.178 2.131 0.842 0.902 0.913 0.870 CA 1.707 24 residues pruned to eliminate duplicates Z: 32 31.223 2.177 0.777 0.470 0.871 0.645 CB 1.716 32 residues pruned to eliminate duplicates Z: 31 59.632 2.264 1.109 0.822 0.967 0.700 CB 1.784 32 residues pruned to eliminate duplicates Z: 23 48.999 2.229 0.906 0.913 1.000 0.864 CA 1.740 23 residues pruned to eliminate duplicates Z: 22 23.695 2.157 0.972 0.453 0.857 0.524 CB 1.488 22 residues pruned to eliminate duplicates Z: 22 87.461 2.624 1.423 0.933 1.000 0.857 CB 2.095 22 residues pruned to eliminate duplicates Z: 22 83.520 2.612 1.318 0.932 1.000 0.857 CB 2.101 22 residues pruned to eliminate duplicates Z: 64 54.647 2.391 0.819 0.482 0.921 0.619 CB 1.751 64 residues pruned to eliminate duplicates Z: 9 27.727 2.216 0.946 0.865 1.000 0.750 CB 1.665 9 residues pruned to eliminate duplicates Z: 35 37.337 2.144 1.079 0.593 0.824 0.706 CB 1.595 16 residues pruned to eliminate duplicates Z: 11 40.252 2.467 0.917 0.827 1.000 0.800 CB 2.029 11 residues pruned to eliminate duplicates Z: 23 43.612 2.201 0.853 0.919 0.909 0.818 CB 1.768 23 residues pruned to eliminate duplicates Z: 9 19.130 2.078 0.839 0.775 1.000 0.625 CB 1.388 9 residues pruned to eliminate duplicates Z: 7 10.513 1.992 0.457 0.622 0.833 0.500 CA 1.582 7 residues pruned to eliminate duplicates Z: 11 25.619 2.155 1.291 0.615 0.900 0.900 CB 1.636 11 residues pruned to eliminate duplicates Z: 9 30.084 2.368 0.742 0.894 1.000 1.000 CA 1.850 9 residues pruned to eliminate duplicates Z: 23 43.035 2.120 0.896 0.916 1.000 0.864 CB 1.611 23 residues pruned to eliminate duplicates Z: 54 47.961 2.266 0.738 0.560 0.981 0.698 CB 1.609 54 residues pruned to eliminate duplicates Z: 23 38.373 2.108 0.679 0.890 1.000 0.955 CB 1.663 23 residues pruned to eliminate duplicates Z: 20 24.011 2.154 1.078 0.468 0.895 0.579 CB 1.420 20 residues pruned to eliminate duplicates Z: 12 20.760 1.958 0.739 0.811 0.909 0.818 C 1.543 12 residues pruned to eliminate duplicates Z: 11 7.826 1.732 0.975 0.311 0.700 0.400 C 1.274 11 residues pruned to eliminate duplicates Z: 18 28.048 2.000 0.701 0.932 1.000 0.882 CB 1.396 18 residues pruned to eliminate duplicates Z: 18 29.664 2.006 0.643 0.933 1.000 0.824 CB 1.523 18 residues pruned to eliminate duplicates Z: 33 35.606 2.194 0.902 0.507 0.875 0.719 CB 1.711 33 residues pruned to eliminate duplicates Z: 9 35.588 2.371 1.315 0.857 1.000 0.875 CB 1.689 9 residues pruned to eliminate duplicates Z: 8 24.065 2.373 0.703 0.861 0.857 0.714 CB 1.930 8 residues pruned to eliminate duplicates Z: 9 16.233 1.885 0.477 0.809 1.000 0.875 CB 1.575 9 residues pruned to eliminate duplicates Z: 10 20.684 1.988 0.817 0.834 1.000 0.778 CB 1.431 10 residues pruned to eliminate duplicates Z: 18 27.929 2.019 0.617 0.907 1.000 0.941 CB 1.474 18 residues pruned to eliminate duplicates Z: 23 41.022 2.185 0.624 0.919 1.000 0.864 CB 1.736 23 residues pruned to eliminate duplicates Z: 28 31.687 2.138 1.036 0.568 0.889 0.481 CB 1.475 28 residues pruned to eliminate duplicates Z: 23 49.688 2.193 1.177 0.912 0.955 0.864 CB 1.646 23 residues pruned to eliminate duplicates Z: 19 30.856 2.246 0.543 0.911 1.000 1.000 CB 1.488 19 residues pruned to eliminate duplicates Z: 17 19.132 1.900 0.399 0.896 1.000 0.812 CB 1.289 17 residues pruned to eliminate duplicates Z: 90 67.757 2.261 1.007 0.565 0.944 0.708 CB 1.573 126 residues pruned to eliminate duplicates Z: 43 63.374 2.393 0.987 0.691 0.952 0.786 CB 1.814 43 residues pruned to eliminate duplicates Z: 17 22.386 2.103 0.914 0.603 0.875 0.688 CB 1.441 Z: 13 31.423 2.049 1.081 0.912 1.000 1.000 CA 1.507 13 residues pruned to eliminate duplicates Z: 22 51.601 2.308 0.914 0.914 1.000 0.905 CB 1.803 22 residues pruned to eliminate duplicates Z: 23 45.868 2.140 1.110 0.915 0.955 0.727 CB 1.604 23 residues pruned to eliminate duplicates Z: 10 18.596 2.056 0.553 0.798 0.889 0.778 C 1.682 10 residues pruned to eliminate duplicates Z: 23 78.296 2.482 1.528 0.916 0.955 0.727 CB 1.968 23 residues pruned to eliminate duplicates Z: 18 26.540 1.999 0.625 0.917 1.000 0.882 CB 1.398 18 residues pruned to eliminate duplicates Z: 24 65.373 2.310 1.222 0.924 1.000 0.652 CB 1.865 24 residues pruned to eliminate duplicates Z: 17 24.612 2.083 0.409 0.926 1.000 1.000 CB 1.469 17 residues pruned to eliminate duplicates Z: 23 48.904 2.231 0.876 0.906 1.000 0.955 CB 1.772 23 residues pruned to eliminate duplicates Z: 23 30.355 1.998 0.689 0.858 0.909 0.818 CB 1.553 23 residues pruned to eliminate duplicates Z: 136 92.417 2.303 0.952 0.596 0.956 0.681 CB 1.690 136 residues pruned to eliminate duplicates Z: 13 14.553 2.102 0.773 0.425 0.833 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 9 19.246 1.979 0.614 0.853 1.000 0.875 C 1.574 9 residues pruned to eliminate duplicates Z: 23 43.402 2.208 0.867 0.916 0.909 0.773 CB 1.744 23 residues pruned to eliminate duplicates Z: 23 68.393 2.472 1.340 0.902 0.955 0.909 CB 1.883 23 residues pruned to eliminate duplicates Z: 18 28.894 2.004 0.672 0.903 1.000 0.824 CB 1.491 18 residues pruned to eliminate duplicates Z: 13 19.303 2.076 0.803 0.618 0.917 0.833 CB 1.453 13 residues pruned to eliminate duplicates Z: 19 40.434 2.274 1.084 0.879 1.000 0.778 CB 1.458 19 residues pruned to eliminate duplicates Z: 11 18.904 1.874 0.929 0.928 1.000 1.000 CB 1.158 11 residues pruned to eliminate duplicates Z: 19 39.514 2.289 0.903 0.887 1.000 0.722 CB 1.541 19 residues pruned to eliminate duplicates Z: 18 24.993 1.953 0.617 0.905 1.000 0.882 CB 1.366 18 residues pruned to eliminate duplicates Z: 6 5.779 1.723 -0.024 0.719 1.000 0.600 CB 1.261 6 residues pruned to eliminate duplicates Z: 23 41.651 2.137 0.902 0.892 0.955 0.864 CB 1.643 23 residues pruned to eliminate duplicates Z: 35 31.704 2.160 0.824 0.520 0.882 0.735 CB 1.534 35 residues pruned to eliminate duplicates Z: 10 37.247 2.468 0.963 0.806 1.000 0.667 CB 1.962 10 residues pruned to eliminate duplicates Z: 18 20.724 1.883 0.525 0.891 1.000 0.882 CB 1.258 22 residues pruned to eliminate duplicates Z: 12 36.410 2.175 1.107 0.909 1.000 1.000 CA 1.700 12 residues pruned to eliminate duplicates Z: 127 93.807 2.373 0.903 0.626 0.937 0.722 CB 1.756 134 residues pruned to eliminate duplicates Z: 9 24.206 2.341 0.535 0.805 1.000 0.750 CB 1.825 9 residues pruned to eliminate duplicates Z: 49 33.246 2.180 0.701 0.453 0.896 0.646 CB 1.515 49 residues pruned to eliminate duplicates Z: 155 102.538 2.319 1.076 0.604 0.916 0.708 CB 1.697 155 residues pruned to eliminate duplicates Z: 35 20.479 1.905 0.453 0.588 1.000 0.618 CB 1.166 25 residues pruned to eliminate duplicates Z: 23 56.658 2.239 1.143 0.903 1.000 0.773 CB 1.794 23 residues pruned to eliminate duplicates Z: 21 63.370 2.499 1.039 0.934 0.950 0.850 CB 2.041 21 residues pruned to eliminate duplicates Z: 23 53.725 2.255 0.976 0.926 1.000 0.909 CB 1.803 23 residues pruned to eliminate duplicates Z: 10 24.694 2.229 0.923 0.870 1.000 0.889 CB 1.402 10 residues pruned to eliminate duplicates Z: 11 19.551 2.002 0.909 0.563 0.900 0.600 CB 1.690 11 residues pruned to eliminate duplicates Z: 6 12.244 2.103 0.517 0.814 1.000 0.800 CB 1.306 6 residues pruned to eliminate duplicates Z: 8 28.967 2.272 1.072 0.859 1.000 0.857 CA 1.712 8 residues pruned to eliminate duplicates Z: 23 67.048 2.484 1.181 0.910 0.955 0.864 CB 1.959 23 residues pruned to eliminate duplicates Z: 18 15.516 1.803 0.366 0.917 1.000 1.000 CB 1.078 18 residues pruned to eliminate duplicates Z: 22 76.683 2.575 1.290 0.910 1.000 0.762 CB 2.012 22 residues pruned to eliminate duplicates Z: 11 24.554 2.124 1.123 0.770 0.900 0.600 CB 1.507 11 residues pruned to eliminate duplicates Z: 20 33.659 2.219 0.716 0.861 1.000 0.789 CB 1.490 20 residues pruned to eliminate duplicates Z: 28 19.804 2.077 0.724 0.471 0.778 0.593 CB 1.410 28 residues pruned to eliminate duplicates Z: 26 43.527 2.143 1.009 0.797 0.880 0.680 CB 1.772 26 residues pruned to eliminate duplicates Z: 69 80.750 2.382 1.178 0.656 0.956 0.735 CB 1.709 64 residues pruned to eliminate duplicates Z: 22 92.503 2.623 1.591 0.930 1.000 0.952 CB 2.077 22 residues pruned to eliminate duplicates Z: 23 51.057 2.225 0.981 0.915 1.000 0.909 CB 1.746 23 residues pruned to eliminate duplicates Z: 62 83.300 2.373 1.265 0.659 0.951 0.672 CB 1.801 61 residues pruned to eliminate duplicates Z: 7 20.226 2.132 0.803 0.762 1.000 0.833 C 1.702 7 residues pruned to eliminate duplicates Z: 22 44.154 2.298 0.645 0.927 1.000 0.905 CB 1.786 22 residues pruned to eliminate duplicates Z: 34 19.181 1.897 0.358 0.586 0.909 0.758 CB 1.312 34 residues pruned to eliminate duplicates Z: 36 24.296 2.027 0.839 0.437 0.857 0.457 CB 1.371 36 residues pruned to eliminate duplicates Z: 8 29.570 2.286 0.980 0.879 1.000 0.857 CB 1.791 8 residues pruned to eliminate duplicates Z: 37 47.272 2.333 1.008 0.520 0.972 0.722 CB 1.696 37 residues pruned to eliminate duplicates Z: 10 21.951 2.265 0.777 0.825 0.889 0.778 CB 1.543 10 residues pruned to eliminate duplicates Z: 31 32.035 2.272 0.771 0.458 0.867 0.567 CB 1.752 31 residues pruned to eliminate duplicates Z: 23 60.624 2.242 1.289 0.912 1.000 0.818 CA 1.783 23 residues pruned to eliminate duplicates Z: 22 53.448 2.214 1.141 0.909 1.000 0.857 CB 1.746 22 residues pruned to eliminate duplicates Z: 22 93.947 2.601 1.692 0.917 1.000 0.524 CB 2.066 22 residues pruned to eliminate duplicates Z: 16 16.410 1.979 0.658 0.515 0.933 0.667 CB 1.363 16 residues pruned to eliminate duplicates Z: 33 19.055 1.919 0.380 0.599 0.906 0.688 CB 1.278 33 residues pruned to eliminate duplicates Z: 10 21.283 2.135 0.510 0.836 1.000 0.889 CB 1.647 10 residues pruned to eliminate duplicates Z: 7 4.516 1.962 0.668 0.527 0.667 0.667 CB 0.823 7 residues pruned to eliminate duplicates Z: 39 31.535 2.106 0.930 0.579 0.842 0.632 CB 1.385 39 residues pruned to eliminate duplicates Z: 13 22.971 2.015 0.599 0.849 1.000 0.833 CA 1.526 13 residues pruned to eliminate duplicates Z: 53 48.883 2.183 0.885 0.640 0.942 0.673 CB 1.533 53 residues pruned to eliminate duplicates Z: 9 25.327 2.196 1.115 0.879 1.000 0.875 CB 1.398 9 residues pruned to eliminate duplicates Z: 6 6.036 1.589 0.568 0.569 1.000 0.600 C 1.014 Z: 75 56.979 2.330 0.946 0.500 0.892 0.635 CB 1.639 75 residues pruned to eliminate duplicates Z: 15 17.029 2.026 0.882 0.557 0.786 0.571 CB 1.438 15 residues pruned to eliminate duplicates Z: 18 26.939 1.990 0.591 0.909 1.000 0.824 CB 1.464 18 residues pruned to eliminate duplicates Z: 39 38.140 2.294 0.660 0.504 0.921 0.579 CB 1.757 39 residues pruned to eliminate duplicates Z: 45 39.890 2.255 0.973 0.472 0.932 0.568 CB 1.493 45 residues pruned to eliminate duplicates Z: 26 21.354 1.875 0.780 0.670 0.920 0.640 CB 1.189 25 residues pruned to eliminate duplicates Z: 14 16.597 1.734 0.510 0.904 1.000 0.923 CB 1.252 14 residues pruned to eliminate duplicates Z: 14 17.943 1.778 0.630 0.910 0.923 0.923 CA 1.318 14 residues pruned to eliminate duplicates Z: 20 60.271 2.517 0.876 0.961 1.000 1.000 CB 2.004 20 residues pruned to eliminate duplicates Z: 22 47.134 2.178 0.996 0.892 1.000 0.810 CB 1.700 22 residues pruned to eliminate duplicates Z: 16 22.491 2.199 0.867 0.586 0.867 0.600 CB 1.503 16 residues pruned to eliminate duplicates Z: 14 21.793 1.781 0.744 0.919 1.000 0.923 CA 1.372 14 residues pruned to eliminate duplicates Z: 40 29.031 2.119 0.769 0.499 0.846 0.667 CB 1.467 40 residues pruned to eliminate duplicates Z: 23 48.757 2.148 1.169 0.900 0.955 0.773 CB 1.669 23 residues pruned to eliminate duplicates Z: 11 17.542 1.923 0.497 0.918 1.000 0.800 CB 1.359 11 residues pruned to eliminate duplicates Z: 57 59.611 2.327 1.061 0.586 0.946 0.607 CB 1.616 59 residues pruned to eliminate duplicates Z: 22 43.728 2.276 0.632 0.915 1.000 0.952 CB 1.815 22 residues pruned to eliminate duplicates Z: 18 15.906 1.845 0.371 0.879 1.000 0.824 CB 1.106 18 residues pruned to eliminate duplicates Z: 23 74.428 2.436 1.492 0.921 0.955 0.818 CB 1.928 32 residues pruned to eliminate duplicates Z: 8 19.701 2.117 0.533 0.855 1.000 0.857 CB 1.694 8 residues pruned to eliminate duplicates Z: 33 20.904 1.932 0.507 0.620 0.969 0.688 CB 1.170 33 residues pruned to eliminate duplicates Z: 18 23.072 1.951 0.460 0.901 1.000 0.941 CB 1.402 18 residues pruned to eliminate duplicates Z: 6 2.596 1.736 -0.026 0.527 0.600 0.600 CB 1.114 6 residues pruned to eliminate duplicates Z: 70 43.113 2.011 0.893 0.588 0.942 0.652 CB 1.330 70 residues pruned to eliminate duplicates Z: 19 18.687 1.768 0.544 0.886 1.000 0.833 CB 1.164 19 residues pruned to eliminate duplicates Z: 51 53.388 2.207 0.925 0.674 0.980 0.760 CB 1.545 51 residues pruned to eliminate duplicates Z: 9 13.609 1.933 0.718 0.611 1.000 0.875 CB 1.305 9 residues pruned to eliminate duplicates Z: 72 41.799 2.124 0.739 0.528 0.915 0.606 CB 1.427 72 residues pruned to eliminate duplicates Z: 9 22.784 2.051 1.110 0.855 1.000 0.875 CB 1.374 9 residues pruned to eliminate duplicates Z: 22 60.167 2.312 1.150 0.931 1.000 0.857 CB 1.846 22 residues pruned to eliminate duplicates Z: 22 53.391 2.289 1.080 0.911 1.000 0.762 CB 1.734 22 residues pruned to eliminate duplicates Z: 7 6.532 1.717 0.365 0.696 1.000 0.833 CB 0.951 Z: 19 43.892 2.294 1.127 0.863 1.000 0.833 CB 1.556 19 residues pruned to eliminate duplicates Z: 13 20.450 1.826 0.658 0.931 1.000 1.000 CA 1.363 13 residues pruned to eliminate duplicates Z: 9 30.373 2.130 1.349 0.922 1.000 1.000 CB 1.509 9 residues pruned to eliminate duplicates Z: 10 22.948 2.090 0.825 0.810 0.889 0.778 CB 1.722 10 residues pruned to eliminate duplicates Z: 38 42.699 2.132 0.814 0.759 0.946 0.784 CB 1.523 38 residues pruned to eliminate duplicates Z: 85 53.727 2.268 0.841 0.474 0.917 0.607 CB 1.573 85 residues pruned to eliminate duplicates Z: 14 24.714 2.109 1.233 0.609 0.923 0.692 CB 1.421 14 residues pruned to eliminate duplicates Z: 58 53.280 2.263 1.020 0.609 0.912 0.719 CB 1.525 58 residues pruned to eliminate duplicates Z: 61 60.404 2.339 1.046 0.554 0.917 0.667 CB 1.686 61 residues pruned to eliminate duplicates Z: 22 51.131 2.232 1.126 0.929 0.905 0.810 CA 1.819 22 residues pruned to eliminate duplicates Z: 26 35.858 2.153 0.904 0.662 0.920 0.800 CB 1.636 26 residues pruned to eliminate duplicates Z: 11 16.998 1.921 0.443 0.932 1.000 1.000 CB 1.354 11 residues pruned to eliminate duplicates Z: 10 21.596 2.170 0.502 0.831 1.000 0.778 CB 1.659 10 residues pruned to eliminate duplicates Z: 11 17.069 1.922 0.517 0.909 1.000 1.000 CB 1.314 11 residues pruned to eliminate duplicates Z: 18 38.621 2.394 0.696 0.887 1.000 0.647 CB 1.663 18 residues pruned to eliminate duplicates Z: 42 46.501 2.349 0.846 0.529 0.951 0.585 CB 1.710 42 residues pruned to eliminate duplicates Z: 10 23.821 2.273 0.440 0.898 1.000 0.778 CB 1.735 10 residues pruned to eliminate duplicates Z: 12 22.776 2.084 0.448 0.919 1.000 1.000 CA 1.604 12 residues pruned to eliminate duplicates Z: 22 58.335 2.306 1.118 0.914 1.000 0.905 CB 1.843 22 residues pruned to eliminate duplicates Z: 9 8.785 1.759 0.610 0.584 0.875 0.750 CB 1.157 4 residues pruned to eliminate duplicates Z: 11 17.800 2.035 0.902 0.613 0.900 0.800 CB 1.451 11 residues pruned to eliminate duplicates Z: 29 20.427 1.868 0.736 0.661 0.893 0.786 CB 1.148 29 residues pruned to eliminate duplicates Z: 20 80.560 2.498 1.526 0.962 1.000 0.684 CB 2.003 20 residues pruned to eliminate duplicates Z: 23 27.305 2.198 0.855 0.587 0.864 0.818 CB 1.520 23 residues pruned to eliminate duplicates Z: 37 35.487 2.311 0.723 0.561 0.861 0.667 CB 1.626 37 residues pruned to eliminate duplicates Z: 10 16.647 2.084 0.513 0.800 0.889 0.889 CB 1.523 10 residues pruned to eliminate duplicates Z: 12 15.641 1.767 0.402 0.935 1.000 1.000 CB 1.326 12 residues pruned to eliminate duplicates Z: 70 66.135 2.307 0.952 0.656 0.928 0.638 CB 1.649 70 residues pruned to eliminate duplicates Z: 93 66.999 2.254 0.965 0.570 0.913 0.696 CB 1.615 95 residues pruned to eliminate duplicates Z: 26 25.620 2.011 0.813 0.598 0.920 0.680 CB 1.391 26 residues pruned to eliminate duplicates Z: 18 39.383 2.295 0.824 0.914 0.941 0.765 CB 1.714 18 residues pruned to eliminate duplicates Z: 35 33.564 2.135 0.846 0.562 0.941 0.706 CB 1.461 35 residues pruned to eliminate duplicates Z: 42 37.802 2.211 1.040 0.575 0.829 0.561 CB 1.468 40 residues pruned to eliminate duplicates Z: 22 19.030 2.140 0.890 0.479 0.762 0.571 CB 1.376 22 residues pruned to eliminate duplicates Z: 34 26.560 2.139 0.736 0.476 0.818 0.636 CB 1.559 34 residues pruned to eliminate duplicates Z: 76 62.617 2.344 0.917 0.610 0.907 0.720 CB 1.599 76 residues pruned to eliminate duplicates Z: 7 17.353 2.175 0.628 0.808 1.000 0.667 CA 1.530 7 residues pruned to eliminate duplicates Z: 23 23.326 2.104 0.572 0.603 0.955 0.682 CB 1.428 23 residues pruned to eliminate duplicates Z: 25 18.830 1.998 0.877 0.414 0.875 0.458 CB 1.281 25 residues pruned to eliminate duplicates Z: 24 27.380 2.233 0.857 0.510 0.826 0.522 CB 1.651 24 residues pruned to eliminate duplicates Z: 22 18.740 2.113 0.670 0.507 0.810 0.667 CB 1.422 22 residues pruned to eliminate duplicates Z: 13 17.584 1.764 0.513 0.921 1.000 0.833 CA 1.338 13 residues pruned to eliminate duplicates Z: 22 48.892 2.184 1.158 0.901 0.952 0.762 CB 1.696 22 residues pruned to eliminate duplicates Z: 17 15.327 1.860 0.280 0.906 1.000 0.938 CB 1.145 17 residues pruned to eliminate duplicates Z: 6 8.325 1.722 0.874 0.464 1.000 0.600 CB 1.196 6 residues pruned to eliminate duplicates Z: 13 19.616 1.816 0.563 0.932 1.000 0.917 CA 1.393 13 residues pruned to eliminate duplicates Z: 73 48.567 2.222 0.678 0.510 0.931 0.694 CB 1.634 73 residues pruned to eliminate duplicates Z: 77 74.517 2.384 1.052 0.630 0.895 0.684 CB 1.727 82 residues pruned to eliminate duplicates Z: 19 17.049 1.785 0.296 0.895 1.000 0.889 CB 1.245 19 residues pruned to eliminate duplicates Z: 23 42.761 2.090 1.047 0.891 0.955 0.773 CB 1.606 23 residues pruned to eliminate duplicates Z: 8 22.818 2.246 0.915 0.712 1.000 0.857 CB 1.655 8 residues pruned to eliminate duplicates Z: 23 75.464 2.412 1.389 0.920 1.000 0.773 CB 1.967 23 residues pruned to eliminate duplicates Z: 50 54.178 2.242 0.975 0.649 0.898 0.776 CB 1.694 36 residues pruned to eliminate duplicates Z: 13 26.435 2.016 0.967 0.835 0.917 0.583 CA 1.572 13 residues pruned to eliminate duplicates Z: 23 44.894 2.117 0.994 0.906 1.000 0.818 CB 1.612 23 residues pruned to eliminate duplicates Z: 15 16.098 2.080 0.684 0.578 0.857 0.643 CB 1.328 15 residues pruned to eliminate duplicates Z: 7 8.948 1.813 0.284 0.697 1.000 0.500 CA 1.311 7 residues pruned to eliminate duplicates Z: 50 55.287 2.138 0.907 0.711 1.000 0.714 CB 1.599 81 residues pruned to eliminate duplicates Z: 113 78.038 2.315 0.965 0.584 0.902 0.670 CB 1.658 113 residues pruned to eliminate duplicates Z: 17 14.483 1.847 0.233 0.930 1.000 1.000 CB 1.112 17 residues pruned to eliminate duplicates Z: 68 68.943 2.363 1.006 0.649 0.910 0.731 CB 1.699 68 residues pruned to eliminate duplicates Z: 105 81.517 2.383 0.938 0.591 0.913 0.644 CB 1.736 105 residues pruned to eliminate duplicates Z: 38 33.490 2.191 0.716 0.510 0.919 0.676 CB 1.578 38 residues pruned to eliminate duplicates Z: 44 31.956 2.198 0.849 0.491 0.860 0.674 CB 1.406 44 residues pruned to eliminate duplicates Z: 23 49.402 2.414 0.714 0.937 0.955 0.818 CB 1.856 23 residues pruned to eliminate duplicates Z: 9 9.897 1.823 0.419 0.519 0.875 0.625 CB 1.517 5 residues pruned to eliminate duplicates Z: 18 21.174 1.887 0.505 0.932 1.000 1.000 CB 1.263 18 residues pruned to eliminate duplicates Z: 16 11.446 1.967 0.637 0.358 0.867 0.533 CB 1.234 16 residues pruned to eliminate duplicates Z: 25 21.828 1.932 0.735 0.430 0.917 0.458 CB 1.559 25 residues pruned to eliminate duplicates Z: 24 74.326 2.340 1.503 0.905 1.000 0.783 CB 1.883 24 residues pruned to eliminate duplicates Z: 48 33.459 2.116 0.514 0.529 0.936 0.745 CB 1.582 48 residues pruned to eliminate duplicates Z: 19 13.928 1.717 0.316 0.865 0.944 0.833 CB 1.127 19 residues pruned to eliminate duplicates Z: 19 22.147 1.802 0.619 0.919 1.000 0.944 CB 1.261 19 residues pruned to eliminate duplicates Z: 17 8.283 1.715 0.537 0.473 0.750 0.562 CB 1.076 7 residues pruned to eliminate duplicates Z: 17 14.341 1.878 0.208 0.892 1.000 0.875 CB 1.136 17 residues pruned to eliminate duplicates Z: 16 17.023 1.878 0.435 0.887 1.000 0.733 CB 1.176 16 residues pruned to eliminate duplicates Z: 68 57.626 2.318 0.919 0.570 0.910 0.672 CB 1.625 68 residues pruned to eliminate duplicates Z: 19 22.939 1.805 0.603 0.936 1.000 0.833 CB 1.301 19 residues pruned to eliminate duplicates Z: 9 10.299 1.645 0.688 0.686 0.875 0.500 CA 1.264 9 residues pruned to eliminate duplicates Z: 27 18.835 1.911 0.322 0.666 0.923 0.731 CB 1.358 27 residues pruned to eliminate duplicates Z: 7 10.435 1.597 0.571 0.772 1.000 0.833 CA 1.336 7 residues pruned to eliminate duplicates Z: 65 53.899 2.270 0.778 0.538 0.969 0.703 CB 1.660 65 residues pruned to eliminate duplicates Z: 7 10.757 2.013 0.189 0.895 1.000 0.833 CA 1.316 7 residues pruned to eliminate duplicates Z: 7 7.949 1.887 0.602 0.487 0.833 0.667 CA 1.306 7 residues pruned to eliminate duplicates Z: 12 20.685 2.188 0.636 0.715 0.909 0.727 CB 1.577 12 residues pruned to eliminate duplicates Z: 28 32.179 2.238 0.836 0.563 0.889 0.593 CB 1.595 28 residues pruned to eliminate duplicates Z: 41 35.663 2.304 0.678 0.464 0.875 0.600 CB 1.729 41 residues pruned to eliminate duplicates Z: 19 23.842 2.149 0.750 0.627 0.889 0.833 CB 1.492 19 residues pruned to eliminate duplicates Z: 13 23.046 2.221 1.116 0.674 0.833 0.750 CB 1.446 14 residues pruned to eliminate duplicates Z: 43 30.086 2.105 0.769 0.461 0.881 0.571 CB 1.473 43 residues pruned to eliminate duplicates Z: 19 28.541 1.990 0.954 0.827 0.944 0.611 CB 1.381 19 residues pruned to eliminate duplicates Z: 17 16.969 1.887 0.836 0.585 0.875 0.688 CB 1.289 12 residues pruned to eliminate duplicates Z: 7 13.037 1.865 0.918 0.684 0.833 0.500 CB 1.508 7 residues pruned to eliminate duplicates Z: 17 19.153 1.900 0.496 0.943 1.000 1.000 CB 1.167 17 residues pruned to eliminate duplicates Z: 43 56.648 2.301 1.031 0.665 0.905 0.619 CB 1.776 43 residues pruned to eliminate duplicates Z: 27 30.236 2.151 1.055 0.549 0.885 0.462 CB 1.445 27 residues pruned to eliminate duplicates Z: 88 59.621 2.167 0.855 0.598 0.920 0.667 CB 1.574 88 residues pruned to eliminate duplicates Z: 22 51.041 2.206 1.196 0.917 0.952 0.857 CB 1.703 Z: 8 22.189 2.001 1.123 0.678 1.000 0.286 CB 1.677 8 residues pruned to eliminate duplicates Z: 19 40.748 2.264 1.102 0.840 0.944 0.722 CB 1.595 19 residues pruned to eliminate duplicates Z: 17 19.838 1.937 0.370 0.915 1.000 0.875 CB 1.321 17 residues pruned to eliminate duplicates Z: 12 10.036 1.862 0.712 0.635 0.818 0.545 CB 1.022 13 residues pruned to eliminate duplicates Z: 43 40.401 2.109 0.849 0.629 0.905 0.786 CB 1.565 43 residues pruned to eliminate duplicates Z: 18 17.294 1.970 0.527 0.659 0.882 0.647 CB 1.363 18 residues pruned to eliminate duplicates Z: 13 21.526 1.774 0.792 0.936 1.000 0.833 CA 1.361 13 residues pruned to eliminate duplicates Z: 22 51.437 2.191 1.205 0.895 0.952 0.762 CB 1.748 22 residues pruned to eliminate duplicates Z: 13 18.217 1.787 0.537 0.918 1.000 0.833 CA 1.350 13 residues pruned to eliminate duplicates Z: 21 56.926 2.187 1.410 0.930 1.000 0.800 CB 1.689 22 residues pruned to eliminate duplicates Z: 45 52.610 2.256 0.999 0.680 0.909 0.682 CB 1.639 45 residues pruned to eliminate duplicates Z: 12 27.610 2.147 0.856 0.905 0.909 0.909 CA 1.636 12 residues pruned to eliminate duplicates Z: 53 48.701 2.112 1.016 0.632 0.923 0.615 CB 1.519 53 residues pruned to eliminate duplicates Z: 38 27.395 2.152 0.677 0.517 0.838 0.676 CB 1.465 38 residues pruned to eliminate duplicates Z: 18 28.636 2.055 0.736 0.902 0.941 0.824 CB 1.475 18 residues pruned to eliminate duplicates Z: 18 27.584 2.017 0.534 0.918 1.000 0.941 CB 1.524 18 residues pruned to eliminate duplicates Z: 22 55.248 2.222 1.189 0.908 1.000 0.762 CB 1.761 21 residues pruned to eliminate duplicates Z: 23 68.080 2.467 1.344 0.901 0.955 0.909 CB 1.877 23 residues pruned to eliminate duplicates Z: 18 27.202 1.990 0.666 0.918 1.000 0.824 CB 1.403 18 residues pruned to eliminate duplicates Z: 62 75.384 2.389 1.055 0.658 0.934 0.689 CB 1.817 67 residues pruned to eliminate duplicates Z: 13 8.846 1.760 0.478 0.519 0.833 0.583 CB 1.157 13 residues pruned to eliminate duplicates Z: 6 9.652 2.154 0.450 0.777 0.800 0.800 CA 1.353 6 residues pruned to eliminate duplicates Z: 18 16.552 1.786 0.485 0.876 0.941 0.941 CB 1.169 18 residues pruned to eliminate duplicates Z: 64 71.837 2.332 1.018 0.655 0.952 0.651 CB 1.749 70 residues pruned to eliminate duplicates Z: 44 59.871 2.359 0.940 0.681 0.953 0.698 CB 1.772 44 residues pruned to eliminate duplicates Z: 22 51.219 2.187 1.126 0.920 1.000 0.762 CB 1.692 22 residues pruned to eliminate duplicates Z: 37 40.495 2.378 0.849 0.511 0.917 0.667 CB 1.656 37 residues pruned to eliminate duplicates Z: 79 37.770 2.024 0.664 0.536 0.923 0.705 CB 1.328 79 residues pruned to eliminate duplicates Z: 21 36.296 1.985 0.793 0.930 1.000 0.900 CA 1.595 21 residues pruned to eliminate duplicates Z: 18 15.547 1.777 0.373 0.915 1.000 0.941 CB 1.092 18 residues pruned to eliminate duplicates Z: 8 2.935 1.385 0.453 0.243 0.714 0.286 N 1.039 4 residues pruned to eliminate duplicates Z: 16 12.715 1.787 0.124 0.929 1.000 0.867 CB 1.144 16 residues pruned to eliminate duplicates Z: 104 87.572 2.369 1.045 0.631 0.922 0.718 CB 1.707 104 residues pruned to eliminate duplicates Z: 7 11.070 2.058 0.307 0.853 0.833 0.667 CB 1.490 7 residues pruned to eliminate duplicates Z: 37 19.797 1.888 0.494 0.548 0.889 0.556 CB 1.255 37 residues pruned to eliminate duplicates Z: 18 18.256 1.880 0.462 0.894 1.000 0.882 CB 1.156 18 residues pruned to eliminate duplicates Z: 7 18.676 2.092 0.803 0.742 1.000 0.667 CA 1.629 7 residues pruned to eliminate duplicates Z: 23 45.459 2.201 0.807 0.885 1.000 0.818 CA 1.760 23 residues pruned to eliminate duplicates Z: 7 4.546 1.475 0.349 0.598 0.833 0.667 N 1.020 7 residues pruned to eliminate duplicates Z: 19 34.524 2.159 0.906 0.893 0.944 0.778 CB 1.503 19 residues pruned to eliminate duplicates Z: 9 18.787 2.315 0.704 0.762 0.875 0.750 CB 1.525 9 residues pruned to eliminate duplicates Z: 49 56.394 2.225 0.922 0.691 0.958 0.771 CB 1.668 49 residues pruned to eliminate duplicates Z: 39 57.752 2.311 1.171 0.662 0.921 0.605 CB 1.745 39 residues pruned to eliminate duplicates Z: 14 18.483 1.715 0.655 0.911 1.000 0.846 CB 1.279 14 residues pruned to eliminate duplicates Z: 10 11.021 1.631 0.825 0.684 0.889 0.667 CB 1.173 8 residues pruned to eliminate duplicates Z: 7 13.201 1.993 0.792 0.819 0.833 0.667 CA 1.373 7 residues pruned to eliminate duplicates Z: 14 21.978 2.041 1.152 0.616 0.923 0.769 CB 1.347 13 residues pruned to eliminate duplicates Z: 100 78.831 2.322 0.977 0.601 0.929 0.646 CB 1.687 100 residues pruned to eliminate duplicates Z: 7 8.490 2.076 -0.069 0.721 0.833 0.667 CA 1.761 7 residues pruned to eliminate duplicates Z: 11 15.609 1.947 0.615 0.622 0.900 0.600 CB 1.556 11 residues pruned to eliminate duplicates Z: 18 36.267 2.279 0.968 0.674 1.000 0.882 CA 1.671 19 residues pruned to eliminate duplicates Z: 22 70.196 2.565 1.260 0.909 0.952 0.810 CB 1.970 22 residues pruned to eliminate duplicates Z: 22 58.974 2.268 1.162 0.903 1.000 0.810 CA 1.870 22 residues pruned to eliminate duplicates Z: 34 31.647 2.253 0.737 0.428 0.939 0.606 CB 1.615 34 residues pruned to eliminate duplicates Z: 25 22.722 2.052 0.768 0.577 0.875 0.750 CB 1.357 25 residues pruned to eliminate duplicates Z: 82 73.977 2.326 1.088 0.590 0.951 0.704 CB 1.633 82 residues pruned to eliminate duplicates Z: 7 11.548 1.489 1.250 0.738 1.000 0.667 C 1.137 7 residues pruned to eliminate duplicates Z: 96 49.134 2.190 0.697 0.512 0.895 0.632 CB 1.498 96 residues pruned to eliminate duplicates Z: 51 26.912 2.038 0.822 0.353 0.840 0.540 CB 1.431 51 residues pruned to eliminate duplicates Z: 9 9.226 1.677 0.714 0.655 0.875 0.750 CB 1.122 9 residues pruned to eliminate duplicates Z: 33 32.355 2.236 0.556 0.542 0.875 0.656 CB 1.803 33 residues pruned to eliminate duplicates Z: 41 35.893 2.129 0.904 0.525 0.900 0.650 CB 1.519 41 residues pruned to eliminate duplicates Z: 14 19.580 1.770 0.643 0.928 1.000 0.846 CA 1.308 14 residues pruned to eliminate duplicates Z: 11 21.653 1.951 0.691 0.934 1.000 1.000 CB 1.447 11 residues pruned to eliminate duplicates Z: 14 14.785 2.088 0.820 0.478 0.846 0.538 CB 1.304 14 residues pruned to eliminate duplicates Z: 18 31.984 2.284 0.520 0.914 0.941 0.941 CB 1.679 18 residues pruned to eliminate duplicates Z: 40 29.827 2.110 0.669 0.520 0.923 0.615 CB 1.441 40 residues pruned to eliminate duplicates Z: 37 18.062 1.914 0.419 0.545 0.861 0.667 CB 1.231 37 residues pruned to eliminate duplicates Z: 42 40.783 2.291 0.873 0.499 0.902 0.732 CB 1.647 42 residues pruned to eliminate duplicates Z: 7 22.153 2.379 0.483 0.862 1.000 1.000 CB 1.882 7 residues pruned to eliminate duplicates Z: 23 57.562 2.219 1.309 0.929 0.955 0.864 CB 1.755 23 residues pruned to eliminate duplicates Z: 11 20.276 1.889 0.709 0.929 1.000 0.900 CB 1.390 11 residues pruned to eliminate duplicates Z: 7 17.370 2.103 0.571 0.880 1.000 1.000 CB 1.555 7 residues pruned to eliminate duplicates Z: 13 19.872 2.051 0.953 0.726 1.000 0.917 CB 1.169 7 residues pruned to eliminate duplicates Z: 18 34.293 2.058 0.975 0.893 1.000 0.765 CB 1.469 18 residues pruned to eliminate duplicates Z: 25 24.942 2.021 0.712 0.637 0.917 0.625 CB 1.412 25 residues pruned to eliminate duplicates Z: 15 13.122 1.788 0.443 0.560 1.000 0.786 CB 1.283 9 residues pruned to eliminate duplicates Z: 25 18.753 2.029 0.504 0.387 0.875 0.542 CB 1.616 25 residues pruned to eliminate duplicates Z: 13 12.788 1.881 0.596 0.642 1.000 0.833 CB 1.077 13 residues pruned to eliminate duplicates Z: 12 36.099 2.444 0.869 0.743 1.000 0.818 CB 1.916 12 residues pruned to eliminate duplicates Z: 14 17.135 1.948 0.798 0.636 1.000 0.846 CB 1.194 14 residues pruned to eliminate duplicates Z: 71 55.357 2.219 0.964 0.565 0.886 0.700 CB 1.610 71 residues pruned to eliminate duplicates Z: 67 43.230 2.246 0.645 0.505 0.924 0.652 CB 1.550 67 residues pruned to eliminate duplicates Z: 12 15.879 1.929 0.911 0.469 0.818 0.636 CA 1.638 12 residues pruned to eliminate duplicates Z: 10 29.126 2.260 0.930 0.881 1.000 0.778 CB 1.611 10 residues pruned to eliminate duplicates Z: 11 13.073 1.943 0.747 0.514 0.800 0.500 CA 1.501 11 residues pruned to eliminate duplicates Z: 9 14.245 2.094 0.728 0.483 0.875 0.625 CA 1.617 9 residues pruned to eliminate duplicates Z: 24 30.496 2.092 1.157 0.534 0.870 0.478 CB 1.567 24 residues pruned to eliminate duplicates Z: 36 45.150 2.431 1.009 0.510 0.914 0.714 CB 1.692 36 residues pruned to eliminate duplicates Z: 22 52.718 2.204 1.153 0.909 1.000 0.762 CB 1.721 22 residues pruned to eliminate duplicates Z: 6 5.675 1.691 0.761 0.430 0.800 0.600 CB 1.146 6 residues pruned to eliminate duplicates Z: 57 44.978 2.093 0.908 0.620 0.946 0.696 CB 1.420 57 residues pruned to eliminate duplicates Z: 10 24.780 2.270 1.079 0.674 0.889 0.444 CB 1.678 10 residues pruned to eliminate duplicates Z: 81 55.861 2.273 0.845 0.539 0.913 0.650 CB 1.571 81 residues pruned to eliminate duplicates Z: 12 15.569 1.701 0.430 0.933 1.000 1.000 CB 1.347 12 residues pruned to eliminate duplicates Z: 19 25.732 1.785 0.807 0.929 1.000 0.889 CB 1.316 19 residues pruned to eliminate duplicates Z: 45 55.658 2.302 0.964 0.671 0.886 0.659 CB 1.788 45 residues pruned to eliminate duplicates Z: 9 23.639 2.401 0.618 0.824 0.875 0.875 CB 1.857 9 residues pruned to eliminate duplicates Z: 12 27.977 2.115 0.763 0.861 1.000 0.818 CA 1.662 12 residues pruned to eliminate duplicates Z: 18 35.953 2.008 1.042 0.929 1.000 0.765 CB 1.489 18 residues pruned to eliminate duplicates Z: 20 38.243 2.149 0.640 0.952 1.000 0.947 CB 1.714 20 residues pruned to eliminate duplicates Z: 19 17.117 1.771 0.343 0.934 1.000 0.833 CB 1.183 19 residues pruned to eliminate duplicates Z: 19 29.825 2.259 0.915 0.510 0.889 0.722 CB 1.811 19 residues pruned to eliminate duplicates Z: 54 45.456 2.203 0.969 0.561 0.906 0.604 CB 1.498 54 residues pruned to eliminate duplicates Z: 72 64.926 2.399 0.928 0.552 0.915 0.648 CB 1.729 72 residues pruned to eliminate duplicates Z: 33 46.085 2.425 0.937 0.580 0.938 0.812 CB 1.713 33 residues pruned to eliminate duplicates Z: 7 7.730 1.651 0.688 0.505 0.833 0.833 CB 1.352 12 residues pruned to eliminate duplicates Z: 18 19.966 1.860 0.647 0.886 1.000 0.765 CB 1.141 18 residues pruned to eliminate duplicates Z: 41 59.677 2.402 0.987 0.717 0.900 0.800 CB 1.804 41 residues pruned to eliminate duplicates Z: 68 57.489 2.329 0.862 0.531 0.955 0.701 CB 1.645 68 residues pruned to eliminate duplicates Z: 43 49.959 2.412 0.896 0.526 0.952 0.714 CB 1.724 43 residues pruned to eliminate duplicates Z: 42 41.325 2.282 0.865 0.489 0.927 0.585 CB 1.654 42 residues pruned to eliminate duplicates Z: 46 45.063 2.344 0.947 0.487 0.911 0.622 CB 1.637 46 residues pruned to eliminate duplicates Z: 11 14.676 2.012 0.620 0.831 1.000 0.700 CB 1.070 11 residues pruned to eliminate duplicates Z: 11 20.027 1.925 0.674 0.910 1.000 1.000 CB 1.394 11 residues pruned to eliminate duplicates Z: 9 17.037 1.957 0.677 0.876 0.875 0.875 CB 1.525 9 residues pruned to eliminate duplicates Z: 20 69.341 2.490 1.225 0.955 1.000 0.947 CB 1.974 20 residues pruned to eliminate duplicates Z: 35 30.656 2.148 0.717 0.539 0.882 0.676 CB 1.555 35 residues pruned to eliminate duplicates Z: 102 71.475 2.273 1.012 0.573 0.931 0.614 CB 1.557 119 residues pruned to eliminate duplicates Z: 23 59.973 2.189 1.350 0.928 1.000 0.818 CB 1.740 23 residues pruned to eliminate duplicates Z: 27 27.216 2.100 0.793 0.584 0.923 0.846 CB 1.417 27 residues pruned to eliminate duplicates Z: 11 17.851 1.901 0.615 0.925 1.000 0.900 CB 1.290 11 residues pruned to eliminate duplicates Z: 8 14.503 1.962 0.558 0.838 1.000 0.714 CB 1.340 8 residues pruned to eliminate duplicates Z: 23 48.439 2.102 1.193 0.889 1.000 0.864 CB 1.612 23 residues pruned to eliminate duplicates Z: 9 32.499 2.393 0.826 0.891 1.000 0.875 CB 1.891 9 residues pruned to eliminate duplicates Z: 32 40.631 2.103 1.034 0.673 0.968 0.710 CB 1.502 32 residues pruned to eliminate duplicates Z: 23 37.296 2.112 0.757 0.909 0.955 0.909 CB 1.593 23 residues pruned to eliminate duplicates Z: 59 77.656 2.355 1.262 0.650 0.948 0.638 CB 1.755 59 residues pruned to eliminate duplicates Z: 6 4.617 1.465 0.375 0.402 1.000 0.800 CB 1.136 Z: 18 35.756 2.018 1.117 0.924 0.941 0.765 CB 1.515 18 residues pruned to eliminate duplicates Z: 36 40.923 2.360 0.961 0.545 0.857 0.543 CB 1.668 36 residues pruned to eliminate duplicates Z: 9 20.241 1.981 0.613 0.847 1.000 0.750 C 1.662 9 residues pruned to eliminate duplicates Z: 18 32.621 2.348 0.936 0.607 0.941 0.824 CB 1.671 18 residues pruned to eliminate duplicates Z: 10 15.099 1.955 0.703 0.808 1.000 0.778 CB 1.156 10 residues pruned to eliminate duplicates Z: 17 18.585 1.802 0.675 0.928 1.000 0.750 CB 1.078 17 residues pruned to eliminate duplicates Z: 13 27.314 2.280 1.154 0.526 0.917 0.583 CA 1.707 13 residues pruned to eliminate duplicates Z: 20 51.063 2.346 0.856 0.922 1.000 0.789 CB 1.892 20 residues pruned to eliminate duplicates Z: 8 7.084 1.850 0.357 0.470 0.714 0.429 CB 1.540 8 residues pruned to eliminate duplicates Z: 7 8.609 2.038 0.418 0.718 0.833 0.500 CA 1.198 7 residues pruned to eliminate duplicates Z: 16 11.785 1.835 0.075 0.907 1.000 1.000 CB 1.096 16 residues pruned to eliminate duplicates Z: 124 90.388 2.387 0.929 0.598 0.927 0.691 CB 1.739 124 residues pruned to eliminate duplicates Z: 19 46.383 2.276 1.108 0.890 1.000 0.667 CB 1.639 19 residues pruned to eliminate duplicates Z: 22 52.414 2.207 1.123 0.923 1.000 0.810 CB 1.715 22 residues pruned to eliminate duplicates Z: 65 54.379 2.319 0.807 0.593 0.891 0.688 CB 1.666 65 residues pruned to eliminate duplicates Z: 11 15.011 2.054 0.630 0.852 0.900 0.600 CB 1.166 11 residues pruned to eliminate duplicates Z: 15 11.484 1.796 0.768 0.463 0.857 0.500 CB 1.171 15 residues pruned to eliminate duplicates Z: 18 36.191 2.009 1.174 0.929 1.000 0.941 CB 1.406 18 residues pruned to eliminate duplicates Z: 33 16.250 1.712 0.621 0.609 0.906 0.625 CB 1.030 33 residues pruned to eliminate duplicates Z: 8 5.212 1.347 0.691 0.370 1.000 0.286 CB 0.994 8 residues pruned to eliminate duplicates Z: 23 82.375 2.418 1.545 0.936 1.000 0.909 CB 1.988 23 residues pruned to eliminate duplicates Z: 12 16.287 1.928 0.698 0.843 0.818 0.545 CB 1.365 12 residues pruned to eliminate duplicates Z: 23 64.117 2.412 1.274 0.894 0.955 0.682 CB 1.872 23 residues pruned to eliminate duplicates Z: 64 52.192 2.226 0.894 0.590 0.937 0.698 CB 1.527 64 residues pruned to eliminate duplicates Z: 11 17.934 2.060 0.858 0.518 0.900 0.800 CB 1.618 11 residues pruned to eliminate duplicates Z: 17 18.221 1.828 1.030 0.587 0.938 0.750 CB 1.205 17 residues pruned to eliminate duplicates Z: 128 76.923 2.306 1.058 0.545 0.850 0.622 CB 1.619 113 residues pruned to eliminate duplicates Z: 18 15.591 1.806 0.305 0.886 1.000 0.765 CB 1.158 18 residues pruned to eliminate duplicates Z: 22 40.712 2.358 1.057 0.592 0.952 0.667 CB 1.762 22 residues pruned to eliminate duplicates Z: 16 15.729 1.836 0.432 0.880 1.000 0.667 CB 1.119 16 residues pruned to eliminate duplicates Z: 14 33.112 2.349 0.940 0.639 1.000 0.538 CA 1.768 14 residues pruned to eliminate duplicates Z: 99 75.806 2.343 1.016 0.583 0.898 0.673 CB 1.667 99 residues pruned to eliminate duplicates Z: 11 16.611 1.912 0.365 0.934 1.000 1.000 CB 1.404 11 residues pruned to eliminate duplicates Z: 23 85.287 2.436 1.599 0.928 1.000 0.773 CA 2.011 23 residues pruned to eliminate duplicates Z: 35 36.200 2.282 0.837 0.485 0.882 0.676 CB 1.704 35 residues pruned to eliminate duplicates Z: 23 46.765 2.100 1.130 0.910 1.000 0.727 CB 1.580 23 residues pruned to eliminate duplicates Z: 18 16.540 1.800 0.427 0.916 1.000 0.765 CB 1.102 18 residues pruned to eliminate duplicates Z: 18 21.742 1.951 0.346 0.905 1.000 0.941 CB 1.429 18 residues pruned to eliminate duplicates 7 1.969 1.846 0.260 0.286 0.500 0.333 CA 0.880 ? Z: 20 38.806 2.503 0.966 0.569 0.895 0.684 CB 1.891 20 residues pruned to eliminate duplicates Z: 8 26.452 2.161 1.049 0.890 1.000 0.571 C 1.625 8 residues pruned to eliminate duplicates Z: 19 40.383 2.309 0.865 0.880 1.000 0.722 CB 1.602 19 residues pruned to eliminate duplicates Z: 64 49.235 2.231 0.852 0.513 0.937 0.603 CB 1.583 64 residues pruned to eliminate duplicates 6 1.356 1.306 0.945 0.291 0.600 0.400 C 0.503 ? Z: 17 36.179 2.090 1.012 0.936 1.000 0.812 CB 1.498 17 residues pruned to eliminate duplicates Z: 116 84.665 2.346 1.022 0.575 0.913 0.670 CB 1.696 116 residues pruned to eliminate duplicates Z: 10 41.852 2.309 1.596 0.914 1.000 0.889 CB 1.645 10 residues pruned to eliminate duplicates Z: 77 78.576 2.348 1.172 0.614 0.934 0.671 CB 1.698 77 residues pruned to eliminate duplicates Z: 11 31.174 2.184 1.397 0.802 0.900 0.700 CB 1.606 11 residues pruned to eliminate duplicates Z: 10 14.916 1.788 0.459 0.905 1.000 1.000 CB 1.357 10 residues pruned to eliminate duplicates Z: 19 24.571 1.778 0.970 0.927 1.000 0.611 CB 1.159 19 residues pruned to eliminate duplicates Z: 16 17.751 1.841 0.337 0.935 1.000 0.933 CB 1.298 16 residues pruned to eliminate duplicates Z: 31 58.863 2.263 1.093 0.809 0.967 0.800 CB 1.793 31 residues pruned to eliminate duplicates Z: 15 16.411 2.119 0.744 0.475 0.786 0.643 CB 1.548 15 residues pruned to eliminate duplicates Z: 11 5.481 1.761 0.295 0.255 0.800 0.500 CB 1.259 11 residues pruned to eliminate duplicates Z: 17 23.683 2.086 0.945 0.560 0.938 0.812 CB 1.468 17 residues pruned to eliminate duplicates Z: 9 13.528 2.215 0.686 0.487 0.875 0.625 CA 1.483 9 residues pruned to eliminate duplicates Z: 18 33.804 2.251 0.549 0.899 1.000 0.882 CB 1.681 18 residues pruned to eliminate duplicates Z: 18 24.217 1.836 0.820 0.936 1.000 0.882 CB 1.223 18 residues pruned to eliminate duplicates Z: 27 38.836 2.185 1.021 0.674 1.000 0.731 CB 1.470 27 residues pruned to eliminate duplicates Z: 10 20.746 2.003 1.091 0.656 0.889 0.778 CA 1.607 10 residues pruned to eliminate duplicates Z: 64 43.647 2.176 0.762 0.527 0.921 0.651 CB 1.517 64 residues pruned to eliminate duplicates Z: 30 53.537 2.309 1.206 0.708 1.000 0.759 CB 1.617 30 residues pruned to eliminate duplicates Z: 14 21.648 1.759 0.806 0.919 1.000 0.692 CB 1.331 14 residues pruned to eliminate duplicates Z: 66 83.543 2.357 1.207 0.667 0.985 0.754 CB 1.733 66 residues pruned to eliminate duplicates Z: 31 21.984 2.030 0.626 0.507 0.867 0.733 CB 1.393 31 residues pruned to eliminate duplicates Z: 11 22.194 2.146 0.890 0.651 0.900 0.800 CB 1.671 11 residues pruned to eliminate duplicates Z: 11 12.074 2.194 0.695 0.511 0.900 0.700 CB 1.128 11 residues pruned to eliminate duplicates Z: 6 4.162 1.535 -0.036 0.591 1.000 0.600 CB 1.153 Z: 32 16.455 1.927 0.389 0.601 0.903 0.710 CB 1.110 32 residues pruned to eliminate duplicates Z: 19 25.666 2.048 0.759 0.601 1.000 0.667 CB 1.525 19 residues pruned to eliminate duplicates Z: 10 24.893 2.193 0.931 0.909 0.889 0.778 CA 1.565 10 residues pruned to eliminate duplicates Z: 6 5.103 1.699 -0.021 0.862 1.000 1.000 CB 1.008 6 residues pruned to eliminate duplicates Z: 18 15.988 1.752 0.344 0.926 1.000 0.882 CB 1.155 18 residues pruned to eliminate duplicates Z: 7 2.355 1.613 0.322 0.172 0.667 0.667 CB 1.006 7 residues pruned to eliminate duplicates Z: 30 48.371 2.370 1.025 0.589 0.966 0.793 CB 1.781 30 residues pruned to eliminate duplicates Z: 36 37.071 2.150 0.831 0.642 0.886 0.743 CB 1.574 36 residues pruned to eliminate duplicates Z: 8 23.097 2.240 0.881 0.752 1.000 0.714 CA 1.656 8 residues pruned to eliminate duplicates Z: 9 26.812 2.548 0.993 0.667 0.875 0.625 CB 1.828 9 residues pruned to eliminate duplicates Z: 14 15.817 1.698 0.558 0.886 0.923 0.923 CA 1.296 14 residues pruned to eliminate duplicates Z: 13 14.897 1.771 0.406 0.903 1.000 0.917 CA 1.231 13 residues pruned to eliminate duplicates Z: 48 32.079 2.062 0.582 0.522 0.915 0.596 CB 1.535 48 residues pruned to eliminate duplicates Z: 12 27.216 2.132 0.634 0.907 1.000 0.909 CA 1.675 12 residues pruned to eliminate duplicates Z: 50 40.340 2.156 0.824 0.596 0.857 0.735 CB 1.561 50 residues pruned to eliminate duplicates Z: 52 69.735 2.373 1.099 0.637 0.961 0.706 CB 1.794 52 residues pruned to eliminate duplicates Z: 32 23.232 1.871 0.746 0.681 0.903 0.645 CB 1.198 32 residues pruned to eliminate duplicates 7 1.159 1.111 0.270 0.385 0.667 0.667 CB 0.569 ? Z: 18 16.641 1.806 0.819 0.609 1.000 0.824 CB 1.108 18 residues pruned to eliminate duplicates Z: 16 21.749 2.089 0.892 0.573 0.800 0.667 CA 1.654 16 residues pruned to eliminate duplicates Z: 31 33.053 2.090 0.978 0.565 0.867 0.767 CB 1.582 31 residues pruned to eliminate duplicates Z: 41 40.346 2.241 0.884 0.514 0.950 0.700 CB 1.569 41 residues pruned to eliminate duplicates Z: 11 9.883 1.985 0.379 0.427 0.900 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 40 51.480 2.263 1.046 0.668 0.897 0.692 CB 1.699 40 residues pruned to eliminate duplicates Z: 6 8.302 1.978 0.213 0.779 0.800 0.600 CA 1.512 6 residues pruned to eliminate duplicates Z: 39 69.383 2.424 1.243 0.676 0.974 0.632 CB 1.809 39 residues pruned to eliminate duplicates Z: 6 2.139 1.348 0.709 0.283 1.000 0.400 CB 0.530 Z: 9 16.651 1.938 0.974 0.461 1.000 0.625 CB 1.601 9 residues pruned to eliminate duplicates Z: 12 22.568 2.093 0.967 0.618 0.909 0.909 CB 1.627 12 residues pruned to eliminate duplicates Z: 9 19.056 1.948 0.744 0.790 1.000 0.750 CA 1.537 9 residues pruned to eliminate duplicates Z: 36 41.130 2.349 0.924 0.540 0.886 0.657 CB 1.670 36 residues pruned to eliminate duplicates Z: 106 57.282 2.161 0.846 0.548 0.867 0.676 CB 1.544 106 residues pruned to eliminate duplicates Z: 9 6.683 1.558 0.445 0.696 1.000 0.750 CB 0.877 Z: 37 29.381 2.109 0.457 0.601 0.944 0.833 CB 1.533 37 residues pruned to eliminate duplicates Z: 7 12.851 2.071 0.602 0.778 1.000 0.833 CA 1.237 7 residues pruned to eliminate duplicates Z: 24 24.634 2.021 0.733 0.551 0.957 0.739 CB 1.458 24 residues pruned to eliminate duplicates Z: 65 53.109 2.285 0.770 0.549 0.969 0.672 CB 1.616 65 residues pruned to eliminate duplicates Z: 53 39.307 2.279 0.656 0.457 0.923 0.538 CB 1.635 53 residues pruned to eliminate duplicates Z: 18 11.124 1.970 0.516 0.417 0.882 0.706 CB 1.117 18 residues pruned to eliminate duplicates Z: 11 18.912 1.949 0.537 0.933 1.000 1.000 CB 1.393 11 residues pruned to eliminate duplicates Z: 30 49.316 2.318 1.118 0.714 0.931 0.862 CB 1.650 30 residues pruned to eliminate duplicates Z: 6 6.846 1.635 0.580 0.616 0.800 0.600 C 1.328 6 residues pruned to eliminate duplicates Z: 15 21.310 1.907 0.690 0.947 1.000 0.857 CB 1.221 15 residues pruned to eliminate duplicates 666 residues left after pruning, divided into chains as follows: A: 36 B: 170 C: 135 D: 18 E: 172 F: 135 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.43 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.508, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.586, Connect. = 0.784 for dens.mod. cycle 2 = 0.300, Contrast = 0.707, Connect. = 0.812 for dens.mod. cycle 3 = 0.300, Contrast = 0.723, Connect. = 0.815 for dens.mod. cycle 4 = 0.300, Contrast = 0.740, Connect. = 0.818 for dens.mod. cycle 5 = 0.300, Contrast = 0.748, Connect. = 0.819 for dens.mod. cycle 6 = 0.300, Contrast = 0.757, Connect. = 0.820 for dens.mod. cycle 7 = 0.300, Contrast = 0.762, Connect. = 0.821 for dens.mod. cycle 8 = 0.300, Contrast = 0.768, Connect. = 0.822 for dens.mod. cycle 9 = 0.300, Contrast = 0.771, Connect. = 0.822 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4052 peaks > 0.5 sigma used to seed fragment search Space for about 886 unique residues taking solvent into account 833 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 44 55.873 2.568 0.905 0.517 0.953 0.581 CB 1.797 B: 92 76.394 2.393 0.991 0.569 0.901 0.626 CB 1.744 44 residues pruned to eliminate duplicates C: 23 85.884 2.631 1.266 0.936 1.000 0.818 CB 2.138 D: 89 64.457 2.448 0.746 0.520 0.920 0.682 CB 1.712 61 residues pruned to eliminate duplicates E: 22 69.529 2.507 0.990 0.935 1.000 0.762 CB 2.120 22 residues pruned to eliminate duplicates F: 24 79.922 2.534 1.243 0.934 1.000 0.870 CB 2.044 24 residues pruned to eliminate duplicates G: 26 74.817 2.428 1.231 0.898 1.000 0.760 CB 1.975 24 residues pruned to eliminate duplicates H: 9 22.325 2.526 0.198 0.871 1.000 0.875 CB 1.902 9 residues pruned to eliminate duplicates I: 9 38.840 2.678 1.470 0.771 0.875 0.750 CB 1.867 J: 23 69.563 2.518 0.954 0.924 1.000 0.818 CA 2.116 23 residues pruned to eliminate duplicates K: 9 35.455 2.478 1.064 0.898 1.000 0.875 CA 1.754 L: 23 75.570 2.597 1.205 0.904 0.955 0.818 CB 2.099 23 residues pruned to eliminate duplicates M: 9 24.098 2.615 0.394 0.851 0.875 0.875 CA 1.978 9 residues pruned to eliminate duplicates N: 21 57.252 2.438 0.947 0.945 1.000 0.950 CB 1.866 21 residues pruned to eliminate duplicates O: 23 79.141 2.528 1.182 0.920 1.000 0.864 C 2.154 25 residues pruned to eliminate duplicates P: 9 31.273 2.393 0.751 0.909 1.000 0.875 CB 1.873 Q: 24 66.686 2.481 0.946 0.911 1.000 0.913 CB 2.041 23 residues pruned to eliminate duplicates R: 22 88.665 2.718 1.242 0.939 1.000 0.857 CB 2.206 25 residues pruned to eliminate duplicates S: 9 30.715 2.560 0.809 0.781 0.875 0.875 CB 2.092 9 residues pruned to eliminate duplicates T: 37 53.005 2.257 0.840 0.785 0.972 0.861 CB 1.703 U: 9 38.588 2.420 1.132 0.896 1.000 0.875 CB 1.894 9 residues pruned to eliminate duplicates V: 24 79.533 2.470 1.263 0.924 1.000 0.826 CA 2.085 24 residues pruned to eliminate duplicates W: 24 65.887 2.505 0.883 0.920 1.000 0.826 CB 2.051 24 residues pruned to eliminate duplicates X: 67 82.685 2.483 1.109 0.660 0.924 0.697 CB 1.814 32 residues pruned to eliminate duplicates Y: 9 21.651 2.096 0.761 0.746 1.000 0.750 CB 1.665 9 residues pruned to eliminate duplicates Z: 11 30.492 2.148 1.252 0.892 1.000 0.900 CB 1.432 10 residues pruned to eliminate duplicates Z: 22 67.162 2.718 0.736 0.921 1.000 0.905 CB 2.187 22 residues pruned to eliminate duplicates Z: 10 38.615 2.836 0.729 0.739 1.000 0.889 CB 2.118 10 residues pruned to eliminate duplicates Z: 25 74.068 2.462 1.259 0.897 0.958 0.792 CB 2.031 25 residues pruned to eliminate duplicates Z: 10 40.921 2.547 1.165 0.790 1.000 0.778 CB 1.919 10 residues pruned to eliminate duplicates Z: 23 76.092 2.627 1.144 0.898 0.955 0.864 CA 2.159 23 residues pruned to eliminate duplicates Z: 11 33.302 2.492 0.767 0.772 1.000 0.800 CB 1.879 11 residues pruned to eliminate duplicates Z: 23 67.999 2.591 1.005 0.925 0.909 0.864 CB 2.154 23 residues pruned to eliminate duplicates Z: 67 88.508 2.500 1.090 0.665 0.985 0.773 CB 1.817 67 residues pruned to eliminate duplicates Z: 22 64.422 2.524 0.880 0.929 1.000 0.810 CB 2.072 22 residues pruned to eliminate duplicates Z: 10 21.560 2.075 0.990 0.606 1.000 0.556 CB 1.575 Z: 23 55.555 2.507 0.589 0.924 1.000 0.909 CB 2.088 23 residues pruned to eliminate duplicates Z: 135 88.126 2.414 0.760 0.586 0.918 0.716 CB 1.798 78 residues pruned to eliminate duplicates Z: 80 82.444 2.520 0.912 0.589 0.949 0.658 CB 1.862 80 residues pruned to eliminate duplicates Z: 10 16.311 2.066 0.652 0.688 1.000 0.556 CB 1.341 10 residues pruned to eliminate duplicates Z: 59 47.507 2.381 0.732 0.485 0.914 0.638 CB 1.681 59 residues pruned to eliminate duplicates Z: 9 28.429 2.670 0.444 0.893 0.875 0.750 CA 2.139 9 residues pruned to eliminate duplicates Z: 69 83.833 2.467 1.126 0.658 0.926 0.721 CB 1.807 69 residues pruned to eliminate duplicates Z: 11 20.121 2.131 0.377 0.853 0.900 0.800 CB 1.780 11 residues pruned to eliminate duplicates Z: 12 33.882 2.231 1.393 0.834 1.000 0.636 CB 1.434 9 residues pruned to eliminate duplicates Z: 9 21.614 1.989 0.752 0.893 1.000 0.750 CA 1.575 9 residues pruned to eliminate duplicates Z: 13 32.418 2.297 0.910 0.753 1.000 0.833 CA 1.703 13 residues pruned to eliminate duplicates Z: 113 89.830 2.461 0.828 0.595 0.946 0.696 CB 1.821 113 residues pruned to eliminate duplicates Z: 24 60.555 2.426 0.830 0.926 1.000 0.913 CA 1.995 24 residues pruned to eliminate duplicates Z: 23 65.671 2.576 0.883 0.917 0.955 0.818 CB 2.134 23 residues pruned to eliminate duplicates Z: 22 80.240 2.732 1.036 0.928 1.000 0.905 CB 2.205 22 residues pruned to eliminate duplicates Z: 11 21.719 2.305 0.957 0.828 0.900 0.600 CB 1.274 11 residues pruned to eliminate duplicates Z: 23 65.560 2.509 0.946 0.937 0.955 0.864 CB 2.088 23 residues pruned to eliminate duplicates Z: 10 38.667 2.532 1.377 0.888 1.000 1.000 CB 1.543 12 residues pruned to eliminate duplicates Z: 10 19.555 1.985 0.459 0.883 1.000 0.667 C 1.627 Z: 10 32.169 2.344 1.255 0.836 0.889 0.889 CB 1.708 Z: 10 19.779 2.357 0.231 0.841 0.889 0.778 CA 1.907 10 residues pruned to eliminate duplicates Z: 24 65.319 2.462 0.909 0.917 1.000 0.696 CA 2.045 24 residues pruned to eliminate duplicates Z: 8 9.543 2.124 0.312 0.749 0.714 0.571 CA 1.451 Z: 15 23.268 2.191 0.920 0.560 0.929 0.500 CB 1.502 10 residues pruned to eliminate duplicates Z: 24 54.520 2.405 0.727 0.916 0.957 0.870 CB 2.021 24 residues pruned to eliminate duplicates Z: 20 31.885 2.279 0.519 0.818 1.000 0.737 CB 1.603 20 residues pruned to eliminate duplicates Z: 19 33.614 2.345 0.498 0.879 1.000 0.944 CB 1.635 19 residues pruned to eliminate duplicates Z: 23 70.083 2.585 0.960 0.913 1.000 0.773 CB 2.087 23 residues pruned to eliminate duplicates Z: 10 34.338 2.275 1.273 0.898 1.000 1.000 CB 1.583 10 residues pruned to eliminate duplicates Z: 11 19.497 2.077 0.310 0.869 0.900 0.800 C 1.839 Z: 10 22.996 2.345 0.600 0.863 0.778 0.667 CA 1.927 10 residues pruned to eliminate duplicates Z: 12 31.363 2.442 0.846 0.741 0.909 0.727 CB 1.860 11 residues pruned to eliminate duplicates Z: 14 28.230 2.215 0.734 0.747 0.923 0.769 CB 1.771 14 residues pruned to eliminate duplicates Z: 96 91.010 2.430 0.972 0.621 0.968 0.684 CB 1.795 88 residues pruned to eliminate duplicates Z: 11 33.798 2.264 1.279 0.800 0.900 0.800 CA 1.771 11 residues pruned to eliminate duplicates Z: 10 31.914 2.475 1.264 0.860 0.889 0.889 CB 1.571 10 residues pruned to eliminate duplicates Z: 24 71.802 2.435 1.254 0.899 0.957 0.826 C 2.039 24 residues pruned to eliminate duplicates Z: 23 42.919 2.262 0.651 0.910 0.955 0.955 CA 1.821 Z: 8 18.800 2.110 0.638 0.863 1.000 0.571 CA 1.509 8 residues pruned to eliminate duplicates Z: 9 17.294 2.144 0.771 0.735 0.875 0.750 CB 1.490 Z: 8 10.754 1.951 0.320 0.737 0.857 0.571 C 1.489 8 residues pruned to eliminate duplicates Z: 66 42.432 2.258 0.573 0.527 0.923 0.677 CB 1.563 18 residues pruned to eliminate duplicates Z: 18 34.385 2.409 0.435 0.893 1.000 0.882 CB 1.732 18 residues pruned to eliminate duplicates Z: 12 27.282 2.020 0.876 0.852 1.000 0.818 C 1.605 12 residues pruned to eliminate duplicates Z: 85 81.256 2.477 0.917 0.596 0.952 0.738 CB 1.789 85 residues pruned to eliminate duplicates Z: 23 50.893 2.269 0.864 0.917 1.000 0.955 CB 1.811 23 residues pruned to eliminate duplicates Z: 9 19.242 2.097 0.684 0.848 1.000 0.750 CB 1.429 9 residues pruned to eliminate duplicates Z: 22 46.431 2.294 0.708 0.916 1.000 0.905 CB 1.826 22 residues pruned to eliminate duplicates Z: 20 43.941 2.206 0.891 0.916 0.947 0.789 CB 1.802 20 residues pruned to eliminate duplicates Z: 14 32.028 2.358 1.036 0.595 1.000 0.615 CB 1.689 15 residues pruned to eliminate duplicates Z: 8 13.445 2.282 0.357 0.821 0.714 0.714 CB 1.739 8 residues pruned to eliminate duplicates Z: 13 32.982 2.461 0.986 0.735 0.833 0.667 CB 1.893 13 residues pruned to eliminate duplicates Z: 12 17.468 1.969 0.646 0.836 0.818 0.818 C 1.487 12 residues pruned to eliminate duplicates Z: 9 20.153 2.283 0.621 0.821 0.875 0.750 CB 1.666 9 residues pruned to eliminate duplicates Z: 22 47.228 2.317 0.892 0.913 0.905 0.857 CB 1.838 22 residues pruned to eliminate duplicates Z: 9 22.785 2.037 0.763 0.849 1.000 0.625 CA 1.663 9 residues pruned to eliminate duplicates Z: 87 57.974 2.331 0.672 0.522 0.919 0.593 CB 1.708 78 residues pruned to eliminate duplicates Z: 23 77.260 2.510 1.325 0.904 0.955 0.818 C 2.106 23 residues pruned to eliminate duplicates Z: 65 77.135 2.394 0.969 0.674 0.969 0.734 CB 1.799 55 residues pruned to eliminate duplicates Z: 11 19.322 1.993 1.038 0.663 0.900 0.700 CB 1.437 Z: 9 19.452 2.183 0.621 0.827 1.000 0.750 CB 1.464 9 residues pruned to eliminate duplicates Z: 18 35.790 2.331 0.568 0.898 0.941 0.882 CB 1.805 18 residues pruned to eliminate duplicates Z: 67 49.844 2.349 0.687 0.490 0.939 0.621 CB 1.664 66 residues pruned to eliminate duplicates Z: 25 58.960 2.354 1.150 0.868 0.917 0.792 CB 1.896 25 residues pruned to eliminate duplicates Z: 21 64.782 2.487 1.092 0.958 1.000 0.900 CB 1.909 21 residues pruned to eliminate duplicates Z: 22 58.571 2.338 1.031 0.925 1.000 0.762 CA 1.889 22 residues pruned to eliminate duplicates Z: 10 22.623 2.113 1.163 0.767 0.889 0.889 CB 1.465 11 residues pruned to eliminate duplicates Z: 23 52.315 2.273 0.886 0.919 1.000 0.909 CA 1.833 23 residues pruned to eliminate duplicates Z: 26 30.383 2.223 0.847 0.608 0.880 0.760 CB 1.517 Z: 9 28.529 2.390 0.647 0.889 1.000 1.000 CB 1.846 Z: 58 55.006 2.496 0.786 0.506 0.895 0.614 CB 1.816 58 residues pruned to eliminate duplicates Z: 18 37.905 2.357 0.592 0.903 0.941 0.941 CB 1.854 18 residues pruned to eliminate duplicates Z: 10 25.459 2.146 0.609 0.828 1.000 0.889 C 1.850 10 residues pruned to eliminate duplicates Z: 61 39.983 2.135 0.750 0.621 0.867 0.683 CB 1.422 60 residues pruned to eliminate duplicates Z: 22 26.866 2.364 0.490 0.522 0.952 0.714 CB 1.710 22 residues pruned to eliminate duplicates Z: 23 86.489 2.617 1.319 0.929 1.000 0.909 CB 2.125 23 residues pruned to eliminate duplicates Z: 41 46.894 2.495 0.852 0.525 0.875 0.575 CB 1.789 41 residues pruned to eliminate duplicates Z: 89 68.142 2.436 0.782 0.526 0.943 0.705 CB 1.729 90 residues pruned to eliminate duplicates Z: 10 34.374 2.350 0.913 0.845 1.000 0.889 CA 1.896 10 residues pruned to eliminate duplicates Z: 23 45.014 2.153 0.999 0.874 0.955 0.818 CB 1.701 23 residues pruned to eliminate duplicates Z: 22 55.490 2.332 0.992 0.892 1.000 0.857 CB 1.874 22 residues pruned to eliminate duplicates Z: 11 34.774 2.309 0.879 0.923 1.000 1.000 CA 1.781 Z: 35 33.979 2.264 0.639 0.522 0.912 0.676 CB 1.685 10 residues pruned to eliminate duplicates Z: 34 40.450 2.391 0.784 0.505 0.939 0.515 CB 1.749 34 residues pruned to eliminate duplicates Z: 12 33.004 2.428 0.649 0.809 1.000 0.727 CB 1.898 9 residues pruned to eliminate duplicates Z: 22 51.997 2.322 0.848 0.919 1.000 0.952 CB 1.864 22 residues pruned to eliminate duplicates Z: 60 53.003 2.345 0.873 0.517 0.898 0.661 CB 1.721 47 residues pruned to eliminate duplicates Z: 25 57.674 2.428 0.774 0.921 0.958 0.917 CB 2.007 25 residues pruned to eliminate duplicates Z: 19 32.106 2.361 0.462 0.874 0.944 0.833 CB 1.689 19 residues pruned to eliminate duplicates Z: 11 18.665 2.130 0.511 0.735 0.800 0.500 CB 1.857 11 residues pruned to eliminate duplicates Z: 25 67.820 2.440 1.058 0.896 1.000 0.750 C 1.974 25 residues pruned to eliminate duplicates Z: 10 20.888 2.038 0.810 0.858 1.000 0.667 CB 1.390 10 residues pruned to eliminate duplicates Z: 97 86.858 2.392 0.974 0.590 0.948 0.625 CB 1.817 157 residues pruned to eliminate duplicates Z: 20 24.741 2.225 0.946 0.447 0.842 0.579 CB 1.644 20 residues pruned to eliminate duplicates Z: 23 50.687 2.266 0.840 0.927 1.000 1.000 CA 1.817 23 residues pruned to eliminate duplicates Z: 19 36.547 2.325 0.572 0.905 0.944 0.889 CB 1.776 19 residues pruned to eliminate duplicates Z: 37 47.816 2.479 0.784 0.543 0.944 0.694 CB 1.830 37 residues pruned to eliminate duplicates Z: 23 49.572 2.263 0.889 0.912 0.955 0.818 CB 1.835 23 residues pruned to eliminate duplicates Z: 23 73.191 2.591 1.050 0.896 1.000 0.864 CB 2.104 23 residues pruned to eliminate duplicates Z: 24 51.896 2.399 0.593 0.921 1.000 0.870 CB 1.992 24 residues pruned to eliminate duplicates Z: 18 43.784 2.460 0.722 0.886 1.000 0.706 CB 1.808 18 residues pruned to eliminate duplicates Z: 23 77.105 2.608 1.236 0.909 0.955 0.682 CB 2.095 23 residues pruned to eliminate duplicates Z: 69 74.634 2.470 0.913 0.641 0.926 0.750 CB 1.813 69 residues pruned to eliminate duplicates Z: 22 47.685 2.291 0.837 0.875 1.000 0.714 CB 1.797 22 residues pruned to eliminate duplicates Z: 11 18.862 1.848 0.700 0.870 1.000 0.900 CB 1.386 11 residues pruned to eliminate duplicates Z: 22 58.438 2.338 1.035 0.920 1.000 0.905 CB 1.888 22 residues pruned to eliminate duplicates Z: 14 14.830 2.255 0.633 0.332 0.846 0.462 CB 1.586 14 residues pruned to eliminate duplicates Z: 10 25.084 2.205 0.579 0.879 1.000 1.000 C 1.741 Z: 27 28.861 2.447 0.646 0.441 0.885 0.615 CB 1.689 27 residues pruned to eliminate duplicates Z: 27 37.503 2.255 1.062 0.594 0.885 0.808 CB 1.634 11 residues pruned to eliminate duplicates Z: 9 17.971 2.059 0.549 0.891 1.000 0.750 CB 1.432 9 residues pruned to eliminate duplicates Z: 9 21.844 2.098 0.844 0.861 1.000 0.625 CB 1.467 9 residues pruned to eliminate duplicates Z: 10 33.725 2.531 1.351 0.853 0.889 0.667 CB 1.570 10 residues pruned to eliminate duplicates Z: 22 47.746 2.305 0.760 0.898 1.000 0.857 CB 1.837 22 residues pruned to eliminate duplicates Z: 23 77.476 2.530 1.185 0.919 1.000 0.773 CB 2.105 23 residues pruned to eliminate duplicates Z: 19 32.282 2.341 0.555 0.862 0.944 0.722 CB 1.625 19 residues pruned to eliminate duplicates Z: 30 41.695 2.505 0.691 0.544 0.931 0.655 CB 1.881 30 residues pruned to eliminate duplicates Z: 29 27.989 2.160 0.596 0.554 0.929 0.643 CB 1.568 4 residues pruned to eliminate duplicates Z: 10 18.061 1.882 0.762 0.831 0.889 0.667 CA 1.535 10 residues pruned to eliminate duplicates Z: 10 14.414 1.936 0.533 0.764 0.889 0.444 CB 1.440 10 residues pruned to eliminate duplicates Z: 14 19.759 2.173 0.823 0.637 0.846 0.769 CB 1.438 14 residues pruned to eliminate duplicates Z: 24 48.980 2.174 0.865 0.915 1.000 0.913 CA 1.780 24 residues pruned to eliminate duplicates Z: 19 30.729 2.352 0.359 0.878 1.000 0.889 CB 1.644 19 residues pruned to eliminate duplicates Z: 44 26.840 2.077 0.444 0.495 0.907 0.721 CB 1.512 44 residues pruned to eliminate duplicates Z: 83 66.976 2.356 0.973 0.567 0.927 0.646 CB 1.609 85 residues pruned to eliminate duplicates Z: 18 25.596 2.123 0.319 0.885 0.941 0.882 CB 1.701 18 residues pruned to eliminate duplicates Z: 9 22.452 2.215 0.892 0.850 0.875 0.875 CB 1.603 9 residues pruned to eliminate duplicates Z: 9 24.305 2.066 0.835 0.893 1.000 1.000 CA 1.627 9 residues pruned to eliminate duplicates Z: 129 96.456 2.461 0.823 0.600 0.938 0.711 CB 1.843 129 residues pruned to eliminate duplicates Z: 25 29.637 2.122 0.639 0.613 0.958 0.792 CB 1.631 24 residues pruned to eliminate duplicates Z: 16 27.497 2.302 0.998 0.588 0.867 0.733 CB 1.636 Z: 22 52.524 2.351 0.821 0.915 1.000 0.952 CA 1.892 22 residues pruned to eliminate duplicates Z: 21 36.562 2.231 0.543 0.905 0.950 0.850 CB 1.780 21 residues pruned to eliminate duplicates Z: 22 47.909 2.289 0.797 0.923 1.000 0.905 CB 1.786 22 residues pruned to eliminate duplicates Z: 96 71.580 2.449 0.757 0.562 0.937 0.695 CB 1.716 106 residues pruned to eliminate duplicates Z: 10 25.973 2.163 0.771 0.836 1.000 0.778 CB 1.692 9 residues pruned to eliminate duplicates Z: 78 62.064 2.426 0.801 0.540 0.909 0.701 CB 1.712 78 residues pruned to eliminate duplicates Z: 68 58.554 2.442 0.871 0.491 0.896 0.582 CB 1.764 68 residues pruned to eliminate duplicates Z: 16 20.399 2.043 0.710 0.737 0.733 0.667 CA 1.662 Z: 23 18.006 2.179 0.960 0.529 0.682 0.591 CB 1.281 23 residues pruned to eliminate duplicates Z: 65 65.383 2.394 0.850 0.654 0.906 0.672 CB 1.765 65 residues pruned to eliminate duplicates Z: 23 51.802 2.258 0.911 0.922 1.000 0.818 CA 1.800 23 residues pruned to eliminate duplicates Z: 24 64.931 2.434 0.926 0.920 1.000 0.826 CA 2.034 24 residues pruned to eliminate duplicates Z: 7 13.179 2.149 0.657 0.793 0.833 0.667 CA 1.402 7 residues pruned to eliminate duplicates Z: 24 70.633 2.375 1.217 0.916 1.000 0.783 CB 1.976 24 residues pruned to eliminate duplicates Z: 22 42.976 2.299 0.673 0.935 0.905 0.810 CA 1.879 22 residues pruned to eliminate duplicates Z: 12 37.069 2.502 0.698 0.785 1.000 0.727 CA 2.047 12 residues pruned to eliminate duplicates Z: 17 31.199 2.202 0.472 0.925 1.000 1.000 CB 1.688 17 residues pruned to eliminate duplicates Z: 13 30.085 2.129 0.785 0.907 1.000 0.917 CA 1.624 13 residues pruned to eliminate duplicates Z: 11 23.296 2.133 0.824 0.829 0.900 0.800 C 1.584 11 residues pruned to eliminate duplicates Z: 15 26.416 2.411 0.600 0.750 0.786 0.643 CA 1.864 15 residues pruned to eliminate duplicates Z: 13 35.963 2.428 0.903 0.764 1.000 0.917 CA 1.778 13 residues pruned to eliminate duplicates Z: 22 57.619 2.335 1.005 0.929 1.000 0.905 CB 1.880 22 residues pruned to eliminate duplicates Z: 9 23.506 2.017 0.750 0.867 1.000 1.000 C 1.722 Z: 18 34.506 2.095 0.634 0.940 1.000 0.941 CB 1.698 18 residues pruned to eliminate duplicates Z: 18 27.866 2.139 0.365 0.881 1.000 0.941 CB 1.676 18 residues pruned to eliminate duplicates Z: 9 36.659 2.427 1.113 0.857 1.000 0.750 CB 1.863 9 residues pruned to eliminate duplicates Z: 7 6.472 2.136 -0.190 0.628 1.000 0.500 CB 1.355 7 residues pruned to eliminate duplicates Z: 23 35.852 2.246 1.008 0.575 0.955 0.773 CB 1.651 23 residues pruned to eliminate duplicates Z: 79 43.774 2.170 0.585 0.534 0.910 0.679 CB 1.531 27 residues pruned to eliminate duplicates Z: 18 28.428 2.103 0.439 0.891 1.000 0.941 CB 1.638 18 residues pruned to eliminate duplicates Z: 35 34.673 2.227 0.882 0.564 0.882 0.647 CB 1.512 39 residues pruned to eliminate duplicates Z: 10 21.116 2.163 0.604 0.805 1.000 1.000 CB 1.555 10 residues pruned to eliminate duplicates Z: 9 27.406 2.404 0.711 0.859 0.875 0.875 C 1.980 9 residues pruned to eliminate duplicates Z: 12 33.440 2.440 1.034 0.726 0.909 0.636 CB 1.823 12 residues pruned to eliminate duplicates Z: 32 54.412 2.310 0.919 0.793 0.903 0.742 CA 1.888 32 residues pruned to eliminate duplicates Z: 19 44.106 2.250 0.964 0.906 0.944 0.611 CB 1.771 19 residues pruned to eliminate duplicates Z: 20 67.391 2.602 0.994 0.932 0.947 0.842 CB 2.197 20 residues pruned to eliminate duplicates Z: 18 27.641 2.081 0.431 0.898 1.000 0.882 CB 1.609 18 residues pruned to eliminate duplicates Z: 18 26.919 2.106 0.327 0.945 1.000 1.000 CB 1.616 18 residues pruned to eliminate duplicates Z: 43 43.857 2.449 0.602 0.525 0.881 0.667 CB 1.910 43 residues pruned to eliminate duplicates Z: 22 54.759 2.282 0.996 0.920 1.000 0.762 CB 1.847 22 residues pruned to eliminate duplicates Z: 23 47.000 2.203 0.888 0.904 1.000 0.864 CB 1.715 23 residues pruned to eliminate duplicates Z: 42 66.418 2.476 0.929 0.698 0.927 0.756 CB 1.957 42 residues pruned to eliminate duplicates Z: 9 19.896 2.075 0.681 0.781 1.000 0.625 CB 1.573 9 residues pruned to eliminate duplicates Z: 9 15.583 1.926 0.675 0.772 1.000 0.875 CB 1.343 9 residues pruned to eliminate duplicates Z: 6 8.898 1.736 0.394 0.735 1.000 0.600 CA 1.331 6 residues pruned to eliminate duplicates Z: 22 95.960 2.720 1.432 0.933 1.000 0.762 CB 2.208 22 residues pruned to eliminate duplicates Z: 17 20.344 2.221 0.841 0.523 0.812 0.562 CB 1.496 17 residues pruned to eliminate duplicates Z: 23 56.460 2.447 0.917 0.893 0.955 0.773 CB 1.930 23 residues pruned to eliminate duplicates Z: 38 56.243 2.242 0.908 0.760 1.000 0.757 CB 1.716 38 residues pruned to eliminate duplicates Z: 22 83.541 2.693 1.287 0.907 0.952 0.762 CB 2.208 22 residues pruned to eliminate duplicates Z: 8 8.314 1.784 0.588 0.643 0.857 0.571 CA 1.132 8 residues pruned to eliminate duplicates Z: 22 18.689 2.033 0.772 0.467 0.857 0.524 CB 1.365 22 residues pruned to eliminate duplicates Z: 25 37.480 2.340 0.964 0.635 0.917 0.583 CB 1.600 25 residues pruned to eliminate duplicates Z: 12 29.308 2.372 0.857 0.756 0.909 0.545 CB 1.757 12 residues pruned to eliminate duplicates Z: 10 21.900 2.097 0.791 0.904 1.000 0.778 CB 1.385 10 residues pruned to eliminate duplicates Z: 22 45.046 2.283 0.645 0.914 1.000 0.905 CA 1.850 22 residues pruned to eliminate duplicates Z: 13 27.924 2.048 0.808 0.884 1.000 0.833 CA 1.573 13 residues pruned to eliminate duplicates Z: 18 16.298 1.859 0.179 0.903 0.941 0.765 CB 1.365 18 residues pruned to eliminate duplicates Z: 17 17.413 2.175 0.767 0.310 0.938 0.500 CB 1.493 17 residues pruned to eliminate duplicates Z: 92 63.857 2.284 0.827 0.565 0.901 0.736 CB 1.672 92 residues pruned to eliminate duplicates Z: 7 24.295 2.469 0.571 0.870 1.000 0.833 CA 1.867 7 residues pruned to eliminate duplicates Z: 9 24.781 2.272 0.894 0.889 0.875 0.875 CB 1.676 9 residues pruned to eliminate duplicates Z: 22 39.214 2.264 0.535 0.913 0.952 0.905 CA 1.829 22 residues pruned to eliminate duplicates Z: 13 26.052 2.066 0.702 0.905 1.000 0.917 CA 1.522 13 residues pruned to eliminate duplicates Z: 23 50.794 2.228 0.937 0.917 1.000 0.909 CB 1.772 23 residues pruned to eliminate duplicates Z: 7 5.440 1.961 0.637 0.452 1.000 0.500 CB 0.727 7 residues pruned to eliminate duplicates Z: 23 73.004 2.558 1.247 0.893 0.955 0.636 CB 2.035 23 residues pruned to eliminate duplicates Z: 39 49.259 2.190 0.819 0.738 0.947 0.763 CB 1.710 39 residues pruned to eliminate duplicates Z: 22 41.411 2.289 0.667 0.892 0.952 0.952 CB 1.787 22 residues pruned to eliminate duplicates Z: 17 20.089 2.200 0.781 0.544 0.750 0.625 CB 1.637 17 residues pruned to eliminate duplicates Z: 11 17.622 2.050 0.288 0.931 1.000 1.000 CB 1.474 11 residues pruned to eliminate duplicates Z: 8 28.853 2.254 0.804 0.885 1.000 0.714 C 1.936 8 residues pruned to eliminate duplicates Z: 7 8.559 2.067 0.090 0.757 0.833 0.333 CA 1.481 7 residues pruned to eliminate duplicates Z: 18 43.243 2.375 0.803 0.880 1.000 0.706 CB 1.775 18 residues pruned to eliminate duplicates Z: 62 88.356 2.475 1.096 0.685 0.951 0.705 CB 1.934 62 residues pruned to eliminate duplicates Z: 65 54.650 2.372 0.735 0.552 0.922 0.688 CB 1.711 65 residues pruned to eliminate duplicates Z: 24 42.564 2.159 0.700 0.914 1.000 0.913 CB 1.710 24 residues pruned to eliminate duplicates Z: 11 15.008 2.012 0.154 0.873 1.000 0.900 CB 1.489 11 residues pruned to eliminate duplicates Z: 6 23.873 2.442 0.785 0.835 1.000 1.000 CA 1.834 6 residues pruned to eliminate duplicates Z: 6 7.079 1.993 0.288 0.308 1.000 0.800 CA 1.527 6 residues pruned to eliminate duplicates Z: 70 55.890 2.367 0.637 0.547 0.913 0.652 CB 1.817 70 residues pruned to eliminate duplicates Z: 43 42.803 2.425 0.765 0.441 0.905 0.571 CB 1.812 43 residues pruned to eliminate duplicates Z: 9 19.348 2.227 0.446 0.795 1.000 0.750 CB 1.641 9 residues pruned to eliminate duplicates Z: 23 29.267 2.215 0.735 0.617 1.000 0.818 CB 1.453 23 residues pruned to eliminate duplicates Z: 19 32.912 2.396 0.319 0.897 1.000 0.889 CB 1.757 19 residues pruned to eliminate duplicates Z: 12 35.509 2.455 0.718 0.796 1.000 0.818 CB 1.959 12 residues pruned to eliminate duplicates Z: 25 30.058 2.094 0.782 0.622 0.917 0.792 CB 1.599 25 residues pruned to eliminate duplicates Z: 21 30.390 2.036 0.469 0.911 1.000 0.950 CA 1.610 20 residues pruned to eliminate duplicates Z: 24 72.561 2.491 1.235 0.907 0.957 0.783 CB 2.019 24 residues pruned to eliminate duplicates Z: 24 79.235 2.416 1.378 0.922 1.000 0.739 CA 2.022 24 residues pruned to eliminate duplicates Z: 63 58.819 2.392 0.850 0.581 0.871 0.597 CB 1.792 63 residues pruned to eliminate duplicates Z: 100 81.334 2.397 0.893 0.614 0.929 0.667 CB 1.741 100 residues pruned to eliminate duplicates Z: 6 14.570 2.306 0.266 0.816 1.000 0.600 CA 1.696 6 residues pruned to eliminate duplicates Z: 168 100.562 2.371 0.863 0.590 0.934 0.707 CB 1.730 171 residues pruned to eliminate duplicates Z: 31 21.080 2.102 0.501 0.516 0.867 0.700 CB 1.386 31 residues pruned to eliminate duplicates Z: 62 35.925 2.135 0.456 0.574 0.918 0.721 CB 1.501 62 residues pruned to eliminate duplicates Z: 12 12.225 2.084 0.686 0.452 0.818 0.364 CB 1.347 12 residues pruned to eliminate duplicates Z: 11 17.025 1.859 0.619 0.903 1.000 0.700 CB 1.275 11 residues pruned to eliminate duplicates Z: 14 20.982 1.801 0.737 0.929 1.000 0.923 CA 1.302 14 residues pruned to eliminate duplicates Z: 10 32.813 2.350 1.134 0.878 1.000 0.889 CB 1.583 10 residues pruned to eliminate duplicates Z: 18 21.040 2.059 0.824 0.577 0.882 0.647 CB 1.430 18 residues pruned to eliminate duplicates Z: 26 25.166 2.111 0.700 0.618 0.840 0.680 CB 1.493 26 residues pruned to eliminate duplicates Z: 9 25.962 2.445 0.690 0.822 0.875 0.875 CA 1.920 9 residues pruned to eliminate duplicates Z: 43 37.759 2.309 0.791 0.464 0.857 0.595 CB 1.704 43 residues pruned to eliminate duplicates Z: 11 18.827 2.039 0.818 0.585 1.000 0.800 CB 1.480 11 residues pruned to eliminate duplicates Z: 13 24.343 2.170 0.973 0.588 0.917 0.750 CB 1.645 13 residues pruned to eliminate duplicates Z: 10 16.312 2.144 0.301 0.838 0.889 0.889 CB 1.640 10 residues pruned to eliminate duplicates Z: 23 47.238 2.215 0.914 0.923 1.000 0.955 CB 1.670 23 residues pruned to eliminate duplicates Z: 13 20.427 1.860 0.629 0.940 1.000 0.917 CA 1.351 13 residues pruned to eliminate duplicates Z: 18 13.995 1.829 0.184 0.907 1.000 0.941 CB 1.114 18 residues pruned to eliminate duplicates Z: 14 9.623 2.000 0.646 0.340 0.769 0.538 CB 1.254 14 residues pruned to eliminate duplicates Z: 11 18.215 2.025 0.336 0.927 1.000 1.000 CB 1.491 11 residues pruned to eliminate duplicates Z: 40 35.655 2.167 0.711 0.599 0.923 0.718 CB 1.517 40 residues pruned to eliminate duplicates Z: 11 16.771 1.948 0.561 0.867 1.000 0.700 CB 1.275 11 residues pruned to eliminate duplicates Z: 9 20.375 2.055 0.735 0.842 1.000 0.750 CB 1.506 9 residues pruned to eliminate duplicates Z: 10 19.109 2.028 0.391 0.917 1.000 1.000 CB 1.593 10 residues pruned to eliminate duplicates Z: 14 13.309 2.137 0.629 0.539 0.769 0.615 CB 1.326 14 residues pruned to eliminate duplicates Z: 119 85.248 2.408 0.970 0.562 0.924 0.678 CB 1.687 123 residues pruned to eliminate duplicates Z: 10 33.541 2.270 1.179 0.900 1.000 0.889 CB 1.614 10 residues pruned to eliminate duplicates Z: 18 15.821 1.840 0.257 0.925 1.000 0.882 CB 1.164 18 residues pruned to eliminate duplicates Z: 23 40.834 2.205 0.721 0.904 0.955 0.864 CB 1.711 23 residues pruned to eliminate duplicates Z: 65 37.562 2.131 0.547 0.567 0.938 0.734 CB 1.424 66 residues pruned to eliminate duplicates Z: 104 78.001 2.393 0.948 0.543 0.913 0.621 CB 1.731 104 residues pruned to eliminate duplicates Z: 23 65.085 2.597 1.003 0.931 0.909 0.773 CB 2.050 23 residues pruned to eliminate duplicates Z: 22 63.865 2.352 1.176 0.930 1.000 0.857 CB 1.904 22 residues pruned to eliminate duplicates Z: 6 5.335 1.864 -0.270 0.868 1.000 0.800 CB 1.282 6 residues pruned to eliminate duplicates Z: 17 14.147 1.932 0.778 0.524 0.812 0.750 CB 1.237 11 residues pruned to eliminate duplicates Z: 81 84.357 2.485 0.967 0.637 0.938 0.738 CB 1.811 81 residues pruned to eliminate duplicates Z: 13 18.490 1.856 0.444 0.927 1.000 0.917 CA 1.396 13 residues pruned to eliminate duplicates Z: 22 96.696 2.725 1.439 0.931 1.000 0.810 CB 2.220 22 residues pruned to eliminate duplicates Z: 10 13.898 1.690 0.916 0.732 0.889 0.778 CB 1.307 Z: 45 54.248 2.253 0.854 0.712 0.955 0.773 CB 1.692 45 residues pruned to eliminate duplicates Z: 9 19.742 2.015 0.538 0.856 1.000 0.875 CA 1.661 9 residues pruned to eliminate duplicates Z: 18 21.652 1.888 0.464 0.912 1.000 0.882 CB 1.345 18 residues pruned to eliminate duplicates Z: 56 50.961 2.331 0.706 0.590 0.945 0.727 CB 1.676 56 residues pruned to eliminate duplicates Z: 23 81.736 2.606 1.331 0.907 0.955 0.773 CB 2.136 23 residues pruned to eliminate duplicates Z: 22 22.293 2.242 0.862 0.472 0.810 0.571 CB 1.482 22 residues pruned to eliminate duplicates Z: 98 69.981 2.438 0.773 0.546 0.907 0.701 CB 1.732 98 residues pruned to eliminate duplicates Z: 48 38.614 2.276 0.689 0.505 0.936 0.702 CB 1.557 48 residues pruned to eliminate duplicates Z: 10 24.239 2.403 0.301 0.909 1.000 0.889 CA 1.834 10 residues pruned to eliminate duplicates Z: 62 47.846 2.287 0.634 0.594 0.934 0.738 CB 1.604 62 residues pruned to eliminate duplicates Z: 25 73.800 2.342 1.325 0.925 1.000 0.750 C 1.941 25 residues pruned to eliminate duplicates Z: 22 55.828 2.325 0.975 0.913 1.000 0.667 CB 1.878 22 residues pruned to eliminate duplicates Z: 12 35.500 2.194 1.061 0.933 1.000 1.000 CA 1.653 14 residues pruned to eliminate duplicates Z: 25 42.244 2.085 0.784 0.883 1.000 0.833 CB 1.677 25 residues pruned to eliminate duplicates Z: 97 64.665 2.410 0.764 0.532 0.896 0.635 CB 1.680 97 residues pruned to eliminate duplicates Z: 8 17.927 2.163 0.355 0.807 1.000 0.571 CB 1.769 8 residues pruned to eliminate duplicates Z: 18 25.166 2.070 0.415 0.906 1.000 0.882 CB 1.482 18 residues pruned to eliminate duplicates Z: 19 18.941 1.811 0.270 0.902 1.000 0.889 CB 1.384 19 residues pruned to eliminate duplicates Z: 11 19.012 2.034 0.349 0.935 1.000 1.000 CB 1.527 11 residues pruned to eliminate duplicates Z: 97 84.028 2.386 0.901 0.619 0.938 0.698 CB 1.802 97 residues pruned to eliminate duplicates Z: 18 31.696 2.105 0.521 0.917 1.000 0.941 CB 1.695 18 residues pruned to eliminate duplicates Z: 23 43.366 2.225 0.623 0.918 1.000 0.864 CA 1.805 23 residues pruned to eliminate duplicates Z: 14 22.017 1.844 0.760 0.891 1.000 0.846 CA 1.353 14 residues pruned to eliminate duplicates Z: 67 60.824 2.401 0.823 0.547 0.939 0.712 CB 1.740 67 residues pruned to eliminate duplicates Z: 11 14.926 1.987 0.206 0.895 1.000 0.900 CB 1.412 11 residues pruned to eliminate duplicates Z: 9 19.959 2.235 0.770 0.632 1.000 0.875 CB 1.577 9 residues pruned to eliminate duplicates Z: 10 9.881 1.507 0.763 0.713 1.000 0.889 CB 1.023 10 residues pruned to eliminate duplicates Z: 39 38.644 2.233 0.748 0.608 0.921 0.737 CB 1.574 39 residues pruned to eliminate duplicates Z: 8 7.786 1.919 0.532 0.551 0.857 0.714 CB 1.111 Z: 96 64.677 2.336 0.809 0.585 0.853 0.611 CB 1.698 96 residues pruned to eliminate duplicates Z: 41 37.895 2.134 0.781 0.569 0.925 0.625 CB 1.594 41 residues pruned to eliminate duplicates Z: 99 93.719 2.484 0.968 0.618 0.929 0.684 CB 1.865 99 residues pruned to eliminate duplicates Z: 36 44.596 2.450 0.803 0.524 0.914 0.657 CB 1.822 36 residues pruned to eliminate duplicates Z: 12 12.244 2.057 0.678 0.391 0.727 0.455 CA 1.650 11 residues pruned to eliminate duplicates Z: 18 25.235 2.085 0.239 0.935 1.000 0.941 CB 1.651 18 residues pruned to eliminate duplicates Z: 7 5.227 1.524 -0.090 0.824 1.000 0.833 CA 1.162 7 residues pruned to eliminate duplicates Z: 22 84.527 2.623 1.237 0.924 1.000 0.810 CB 2.207 22 residues pruned to eliminate duplicates Z: 18 28.614 2.045 0.406 0.919 1.000 0.765 CB 1.701 18 residues pruned to eliminate duplicates Z: 68 59.444 2.463 0.800 0.490 0.910 0.657 CB 1.817 68 residues pruned to eliminate duplicates Z: 25 40.569 2.338 0.849 0.692 0.958 0.792 CB 1.677 20 residues pruned to eliminate duplicates Z: 14 20.472 1.851 0.554 0.909 1.000 0.923 CA 1.401 14 residues pruned to eliminate duplicates Z: 13 20.154 2.165 0.484 0.791 0.917 0.833 CB 1.529 13 residues pruned to eliminate duplicates Z: 26 31.870 2.231 0.727 0.590 0.920 0.760 CB 1.650 26 residues pruned to eliminate duplicates Z: 18 19.593 1.864 0.245 0.910 1.000 0.882 CB 1.453 18 residues pruned to eliminate duplicates Z: 26 22.965 2.084 0.702 0.593 0.840 0.760 CB 1.411 26 residues pruned to eliminate duplicates Z: 41 44.836 2.402 0.877 0.516 0.925 0.625 CB 1.673 41 residues pruned to eliminate duplicates Z: 16 25.774 2.234 0.835 0.598 0.933 0.800 CB 1.584 17 residues pruned to eliminate duplicates Z: 10 24.194 2.109 0.841 0.809 1.000 0.667 CB 1.588 10 residues pruned to eliminate duplicates Z: 74 52.279 2.329 0.732 0.536 0.890 0.671 CB 1.644 74 residues pruned to eliminate duplicates Z: 32 26.809 2.211 0.642 0.491 0.871 0.548 CB 1.536 32 residues pruned to eliminate duplicates Z: 23 45.066 2.175 0.862 0.924 0.955 0.682 CB 1.745 23 residues pruned to eliminate duplicates Z: 36 30.284 2.133 0.484 0.591 0.914 0.800 CB 1.621 36 residues pruned to eliminate duplicates Z: 14 19.810 1.850 0.497 0.919 1.000 1.000 CA 1.398 14 residues pruned to eliminate duplicates Z: 38 34.676 2.201 0.895 0.572 0.892 0.514 CB 1.429 40 residues pruned to eliminate duplicates Z: 17 21.274 1.966 0.351 0.936 1.000 0.750 CB 1.394 17 residues pruned to eliminate duplicates Z: 18 19.968 1.841 0.292 0.909 1.000 0.882 CB 1.444 18 residues pruned to eliminate duplicates Z: 10 23.754 2.094 0.940 0.861 1.000 0.778 CB 1.433 10 residues pruned to eliminate duplicates Z: 13 30.147 2.108 0.829 0.896 1.000 0.667 CA 1.617 13 residues pruned to eliminate duplicates Z: 20 18.899 2.090 0.659 0.593 0.842 0.632 CB 1.359 15 residues pruned to eliminate duplicates Z: 11 12.965 1.901 0.556 0.559 0.900 0.700 CA 1.453 10 residues pruned to eliminate duplicates Z: 63 52.287 2.491 0.667 0.513 0.871 0.661 CB 1.812 63 residues pruned to eliminate duplicates Z: 14 21.252 1.790 0.722 0.927 1.000 0.923 CA 1.340 14 residues pruned to eliminate duplicates Z: 8 20.576 2.252 0.537 0.853 1.000 0.857 CB 1.660 8 residues pruned to eliminate duplicates Z: 12 29.948 2.202 0.734 0.898 1.000 0.909 CA 1.691 12 residues pruned to eliminate duplicates Z: 68 78.916 2.401 1.020 0.634 0.955 0.657 CB 1.835 69 residues pruned to eliminate duplicates Z: 52 51.731 2.350 0.955 0.515 0.922 0.725 CB 1.685 52 residues pruned to eliminate duplicates Z: 13 21.557 1.859 0.687 0.917 1.000 0.917 CA 1.400 13 residues pruned to eliminate duplicates Z: 23 80.454 2.519 1.292 0.904 1.000 0.818 C 2.117 23 residues pruned to eliminate duplicates Z: 12 14.763 2.304 0.349 0.547 0.909 0.636 CB 1.506 12 residues pruned to eliminate duplicates Z: 6 10.939 1.730 0.481 0.838 1.000 1.000 CA 1.427 6 residues pruned to eliminate duplicates Z: 17 21.424 1.884 0.356 0.928 1.000 0.875 CB 1.469 17 residues pruned to eliminate duplicates Z: 59 39.300 2.208 0.534 0.539 0.931 0.707 CB 1.575 59 residues pruned to eliminate duplicates Z: 15 11.670 1.724 0.576 0.499 0.857 0.571 CB 1.341 8 residues pruned to eliminate duplicates Z: 21 61.682 2.501 0.916 0.965 1.000 0.950 CA 1.965 21 residues pruned to eliminate duplicates Z: 18 33.572 2.145 0.769 0.882 0.941 0.824 CB 1.650 18 residues pruned to eliminate duplicates Z: 21 44.741 2.280 0.746 0.921 0.950 0.850 CB 1.862 21 residues pruned to eliminate duplicates Z: 8 10.460 1.923 0.888 0.535 0.857 0.857 CB 1.227 8 residues pruned to eliminate duplicates Z: 18 15.680 1.881 0.269 0.899 1.000 0.882 CB 1.138 18 residues pruned to eliminate duplicates Z: 22 43.716 2.295 0.634 0.909 1.000 0.810 CB 1.806 22 residues pruned to eliminate duplicates Z: 9 29.028 2.198 0.972 0.877 1.000 0.750 C 1.719 9 residues pruned to eliminate duplicates Z: 10 13.828 2.055 0.890 0.483 0.889 0.667 CB 1.359 10 residues pruned to eliminate duplicates Z: 14 15.675 2.036 0.892 0.558 0.769 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 18 16.873 1.817 0.437 0.882 1.000 0.824 CB 1.134 21 residues pruned to eliminate duplicates Z: 23 57.925 2.204 1.250 0.922 1.000 0.864 CB 1.752 23 residues pruned to eliminate duplicates Z: 6 7.700 1.846 0.374 0.745 1.000 0.800 CA 1.091 6 residues pruned to eliminate duplicates Z: 71 52.561 2.379 0.675 0.537 0.914 0.729 CB 1.663 71 residues pruned to eliminate duplicates Z: 22 73.125 2.484 1.444 0.894 0.952 0.619 C 1.980 22 residues pruned to eliminate duplicates Z: 8 14.630 2.034 0.553 0.882 0.857 0.714 CB 1.478 8 residues pruned to eliminate duplicates Z: 18 12.987 1.791 0.714 0.506 0.824 0.588 CB 1.238 18 residues pruned to eliminate duplicates Z: 31 27.528 2.170 0.743 0.510 0.900 0.500 CB 1.462 31 residues pruned to eliminate duplicates Z: 23 50.000 2.192 1.105 0.905 1.000 0.773 CB 1.644 23 residues pruned to eliminate duplicates Z: 10 27.638 2.441 0.466 0.808 1.000 0.889 CA 1.967 10 residues pruned to eliminate duplicates Z: 9 19.868 2.120 1.140 0.902 0.875 0.875 CB 1.262 9 residues pruned to eliminate duplicates Z: 32 58.423 2.289 0.896 0.798 1.000 0.742 CB 1.863 32 residues pruned to eliminate duplicates Z: 13 12.159 1.917 0.682 0.425 0.833 0.500 CB 1.412 13 residues pruned to eliminate duplicates Z: 23 54.197 2.223 1.067 0.893 1.000 0.773 CB 1.805 23 residues pruned to eliminate duplicates Z: 21 65.132 2.446 1.011 0.950 1.000 0.900 C 2.041 21 residues pruned to eliminate duplicates Z: 48 50.552 2.271 0.773 0.630 0.936 0.660 CB 1.731 48 residues pruned to eliminate duplicates Z: 7 12.461 1.968 0.813 0.364 1.000 0.333 CA 1.651 7 residues pruned to eliminate duplicates Z: 23 46.632 2.182 0.998 0.883 1.000 0.682 CB 1.649 23 residues pruned to eliminate duplicates Z: 19 33.719 2.092 0.718 0.857 1.000 0.944 CB 1.630 19 residues pruned to eliminate duplicates Z: 13 9.476 1.989 0.521 0.472 0.833 0.750 CB 1.116 13 residues pruned to eliminate duplicates Z: 8 16.167 1.860 0.729 0.842 1.000 1.000 CB 1.416 8 residues pruned to eliminate duplicates Z: 39 24.070 1.966 0.383 0.488 0.947 0.500 CB 1.534 39 residues pruned to eliminate duplicates Z: 13 13.711 1.894 0.339 0.868 1.000 0.917 CB 1.141 13 residues pruned to eliminate duplicates Z: 22 52.475 2.277 0.990 0.904 1.000 0.762 CB 1.799 22 residues pruned to eliminate duplicates Z: 78 70.614 2.457 0.835 0.573 0.909 0.662 CB 1.830 78 residues pruned to eliminate duplicates Z: 31 54.001 2.321 0.820 0.814 0.967 0.833 CB 1.838 31 residues pruned to eliminate duplicates Z: 18 36.947 2.156 0.789 0.889 1.000 0.765 CB 1.672 18 residues pruned to eliminate duplicates Z: 22 59.199 2.284 1.231 0.925 1.000 0.810 CB 1.780 23 residues pruned to eliminate duplicates Z: 22 61.162 2.346 1.120 0.924 1.000 0.905 CB 1.884 22 residues pruned to eliminate duplicates Z: 25 25.429 2.255 0.782 0.426 0.833 0.625 CB 1.674 25 residues pruned to eliminate duplicates Z: 6 15.612 2.430 0.153 0.827 1.000 0.400 CB 1.878 6 residues pruned to eliminate duplicates Z: 88 79.907 2.365 0.971 0.610 0.954 0.644 CB 1.736 88 residues pruned to eliminate duplicates Z: 66 42.609 2.230 0.538 0.514 0.938 0.615 CB 1.620 66 residues pruned to eliminate duplicates Z: 16 16.999 1.884 0.106 0.941 1.000 0.933 CB 1.461 16 residues pruned to eliminate duplicates Z: 18 17.475 1.822 0.203 0.907 1.000 0.765 CB 1.373 18 residues pruned to eliminate duplicates Z: 10 34.555 2.525 1.071 0.867 1.000 0.889 CB 1.611 10 residues pruned to eliminate duplicates Z: 6 12.618 2.171 0.380 0.846 1.000 0.600 CA 1.400 6 residues pruned to eliminate duplicates Z: 99 81.577 2.406 0.824 0.593 0.939 0.684 CB 1.830 174 residues pruned to eliminate duplicates Z: 18 27.196 2.075 0.473 0.887 1.000 0.941 CB 1.557 18 residues pruned to eliminate duplicates Z: 34 36.263 2.251 0.725 0.540 0.939 0.727 CB 1.665 Z: 13 12.335 1.886 0.721 0.607 0.917 0.583 CB 1.081 13 residues pruned to eliminate duplicates Z: 7 25.573 2.447 0.619 0.902 1.000 1.000 C 1.880 7 residues pruned to eliminate duplicates Z: 71 57.543 2.287 0.740 0.628 0.929 0.657 CB 1.650 71 residues pruned to eliminate duplicates Z: 18 15.899 1.838 0.339 0.906 1.000 0.765 CB 1.115 Z: 7 6.293 1.638 0.406 0.783 0.833 0.667 CA 1.043 7 residues pruned to eliminate duplicates Z: 18 14.622 1.954 0.431 0.633 0.882 0.588 CB 1.269 18 residues pruned to eliminate duplicates Z: 101 87.537 2.387 0.953 0.599 0.950 0.610 CB 1.799 101 residues pruned to eliminate duplicates Z: 6 10.764 1.862 0.427 0.808 1.000 0.800 CB 1.385 6 residues pruned to eliminate duplicates Z: 12 12.789 1.940 0.644 0.483 0.727 0.636 CB 1.691 12 residues pruned to eliminate duplicates Z: 12 40.340 2.632 0.761 0.787 1.000 0.818 CB 2.040 12 residues pruned to eliminate duplicates Z: 37 50.264 2.216 0.837 0.778 0.944 0.750 CB 1.705 37 residues pruned to eliminate duplicates Z: 12 16.037 2.022 0.731 0.497 0.909 0.545 CB 1.525 12 residues pruned to eliminate duplicates Z: 135 89.651 2.423 0.755 0.599 0.925 0.724 CB 1.792 135 residues pruned to eliminate duplicates Z: 6 3.546 1.712 0.419 0.441 0.600 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 8 11.274 1.773 0.610 0.648 1.000 0.714 CB 1.301 8 residues pruned to eliminate duplicates Z: 23 42.562 2.336 0.945 0.744 1.000 0.682 CB 1.605 23 residues pruned to eliminate duplicates Z: 10 20.826 2.011 1.298 0.837 0.778 0.778 CB 1.444 10 residues pruned to eliminate duplicates Z: 47 58.083 2.357 0.863 0.671 0.913 0.674 CB 1.823 47 residues pruned to eliminate duplicates Z: 12 28.946 2.226 0.742 0.919 0.909 0.727 CA 1.745 12 residues pruned to eliminate duplicates Z: 119 61.105 2.281 0.602 0.537 0.932 0.619 CB 1.593 119 residues pruned to eliminate duplicates Z: 64 64.722 2.337 0.866 0.620 0.921 0.683 CB 1.812 64 residues pruned to eliminate duplicates Z: 67 56.632 2.339 0.823 0.545 0.955 0.727 CB 1.639 67 residues pruned to eliminate duplicates Z: 7 4.642 1.636 0.460 0.504 0.667 0.500 CB 1.184 7 residues pruned to eliminate duplicates Z: 7 16.194 2.016 1.113 0.604 0.833 0.667 CA 1.687 7 residues pruned to eliminate duplicates Z: 71 75.098 2.398 1.040 0.592 0.914 0.600 CB 1.838 71 residues pruned to eliminate duplicates Z: 17 19.226 2.114 0.761 0.494 0.875 0.625 CB 1.484 17 residues pruned to eliminate duplicates Z: 21 47.060 2.319 0.762 0.939 0.950 0.950 CB 1.884 21 residues pruned to eliminate duplicates Z: 6 4.133 1.559 0.226 0.592 0.800 0.800 CB 1.106 2 residues pruned to eliminate duplicates Z: 24 42.339 2.361 0.863 0.590 0.957 0.609 CB 1.926 Z: 61 59.310 2.350 0.860 0.590 0.950 0.667 CB 1.691 61 residues pruned to eliminate duplicates Z: 11 20.843 2.053 0.409 0.878 1.000 0.900 CA 1.655 11 residues pruned to eliminate duplicates Z: 19 40.301 2.373 0.682 0.864 1.000 0.722 CB 1.744 19 residues pruned to eliminate duplicates Z: 12 13.665 1.912 0.769 0.532 0.818 0.636 CA 1.443 12 residues pruned to eliminate duplicates Z: 9 6.524 1.836 0.329 0.793 0.750 0.500 CB 0.975 9 residues pruned to eliminate duplicates Z: 12 22.072 1.977 0.601 0.924 1.000 0.909 CB 1.477 12 residues pruned to eliminate duplicates Z: 10 15.685 1.933 0.691 0.832 0.889 0.667 CA 1.351 10 residues pruned to eliminate duplicates Z: 50 43.112 2.242 0.716 0.606 0.898 0.776 CB 1.613 50 residues pruned to eliminate duplicates Z: 44 55.969 2.293 0.931 0.698 0.907 0.698 CB 1.774 44 residues pruned to eliminate duplicates Z: 21 44.510 2.529 1.005 0.591 0.900 0.750 CA 2.000 21 residues pruned to eliminate duplicates Z: 40 53.335 2.456 0.884 0.549 0.974 0.744 CB 1.806 40 residues pruned to eliminate duplicates Z: 70 50.270 2.210 0.885 0.581 0.884 0.681 CB 1.520 70 residues pruned to eliminate duplicates Z: 11 25.074 2.200 0.945 0.826 0.900 0.700 CB 1.552 11 residues pruned to eliminate duplicates Z: 21 25.811 2.300 0.518 0.451 0.950 0.500 CB 1.830 21 residues pruned to eliminate duplicates Z: 18 18.059 1.827 0.476 0.921 1.000 1.000 CB 1.143 19 residues pruned to eliminate duplicates Z: 7 12.457 1.899 0.457 0.705 1.000 0.833 CA 1.524 4 residues pruned to eliminate duplicates Z: 11 19.792 2.026 0.456 0.919 1.000 1.000 CB 1.495 11 residues pruned to eliminate duplicates Z: 13 20.658 1.854 0.680 0.915 1.000 0.750 CB 1.353 13 residues pruned to eliminate duplicates Z: 7 20.219 2.197 0.819 0.809 1.000 1.000 CA 1.578 7 residues pruned to eliminate duplicates Z: 18 37.565 2.134 0.798 0.906 1.000 0.882 CB 1.690 18 residues pruned to eliminate duplicates Z: 7 8.736 2.008 0.151 0.782 1.000 0.667 CB 1.203 7 residues pruned to eliminate duplicates Z: 7 9.349 1.832 0.537 0.558 1.000 0.500 N 1.281 7 residues pruned to eliminate duplicates Z: 11 22.431 2.017 0.632 0.934 1.000 0.900 CB 1.502 11 residues pruned to eliminate duplicates Z: 6 7.842 1.939 -0.020 0.809 1.000 1.000 CA 1.410 6 residues pruned to eliminate duplicates Z: 21 29.883 2.131 0.763 0.695 1.000 0.800 CB 1.488 21 residues pruned to eliminate duplicates Z: 19 41.667 2.321 0.905 0.865 1.000 0.500 CB 1.627 19 residues pruned to eliminate duplicates Z: 6 10.132 1.911 0.294 0.768 1.000 0.800 CA 1.445 6 residues pruned to eliminate duplicates Z: 19 43.439 2.248 1.027 0.906 1.000 0.611 CB 1.597 19 residues pruned to eliminate duplicates Z: 101 66.711 2.321 0.812 0.603 0.910 0.660 CB 1.580 101 residues pruned to eliminate duplicates Z: 22 56.660 2.267 1.190 0.913 1.000 0.857 CB 1.763 22 residues pruned to eliminate duplicates Z: 8 15.762 2.251 0.390 0.714 0.857 0.857 CB 1.830 8 residues pruned to eliminate duplicates Z: 29 25.612 2.152 0.642 0.424 0.893 0.571 CB 1.659 29 residues pruned to eliminate duplicates Z: 10 8.938 1.754 0.798 0.450 0.889 0.667 CB 1.119 10 residues pruned to eliminate duplicates Z: 6 7.086 1.983 0.203 0.806 0.800 0.400 CA 1.270 6 residues pruned to eliminate duplicates Z: 37 30.801 2.123 0.779 0.538 0.889 0.722 CB 1.473 37 residues pruned to eliminate duplicates Z: 38 48.740 2.215 0.779 0.753 0.973 0.757 CB 1.668 38 residues pruned to eliminate duplicates Z: 22 25.889 2.048 0.726 0.609 0.952 0.810 CB 1.513 22 residues pruned to eliminate duplicates Z: 9 7.709 1.725 0.701 0.537 0.875 0.750 CB 1.024 9 residues pruned to eliminate duplicates Z: 7 13.867 2.287 0.265 0.773 1.000 1.000 CB 1.537 7 residues pruned to eliminate duplicates Z: 104 81.403 2.372 0.837 0.606 0.961 0.602 CB 1.730 104 residues pruned to eliminate duplicates Z: 22 55.703 2.312 1.097 0.913 0.952 0.905 CB 1.864 22 residues pruned to eliminate duplicates Z: 9 16.153 1.767 0.943 0.798 1.000 0.750 CB 1.281 9 residues pruned to eliminate duplicates Z: 13 19.474 2.209 0.818 0.379 0.917 0.667 CB 1.737 13 residues pruned to eliminate duplicates Z: 9 20.872 2.021 1.252 0.650 0.875 0.625 CB 1.612 9 residues pruned to eliminate duplicates Z: 13 22.358 1.988 0.622 0.884 0.917 0.833 CA 1.577 13 residues pruned to eliminate duplicates Z: 6 5.073 2.077 0.278 0.569 0.600 0.600 CB 1.332 6 residues pruned to eliminate duplicates Z: 6 2.126 1.367 0.363 0.359 0.600 0.400 CB 0.990 6 residues pruned to eliminate duplicates Z: 19 26.633 1.817 0.703 0.925 1.000 0.833 CB 1.424 19 residues pruned to eliminate duplicates Z: 7 6.962 1.685 0.290 0.735 1.000 0.667 CB 1.060 7 residues pruned to eliminate duplicates Z: 63 73.313 2.418 0.905 0.649 0.935 0.710 CB 1.881 63 residues pruned to eliminate duplicates Z: 15 24.255 2.386 0.802 0.652 0.857 0.786 CB 1.527 15 residues pruned to eliminate duplicates Z: 21 57.866 2.333 1.428 0.899 0.900 0.800 CB 1.814 21 residues pruned to eliminate duplicates Z: 77 45.616 2.118 0.753 0.569 0.934 0.711 CB 1.411 72 residues pruned to eliminate duplicates Z: 19 34.410 2.259 0.508 0.918 1.000 0.889 CB 1.680 19 residues pruned to eliminate duplicates Z: 54 43.040 2.358 0.671 0.519 0.906 0.679 CB 1.625 54 residues pruned to eliminate duplicates Z: 18 30.199 2.045 0.582 0.911 1.000 0.941 CB 1.605 18 residues pruned to eliminate duplicates Z: 10 33.659 2.444 0.950 0.895 1.000 0.778 CA 1.688 10 residues pruned to eliminate duplicates Z: 34 17.501 1.883 0.616 0.480 0.879 0.606 CB 1.162 34 residues pruned to eliminate duplicates Z: 96 70.043 2.456 0.732 0.538 0.937 0.684 CB 1.737 96 residues pruned to eliminate duplicates Z: 32 37.621 2.189 0.843 0.674 0.903 0.774 CB 1.580 32 residues pruned to eliminate duplicates Z: 22 55.653 2.274 1.124 0.917 1.000 0.762 CB 1.774 22 residues pruned to eliminate duplicates Z: 8 3.666 1.702 0.056 0.331 0.857 0.571 CB 1.083 8 residues pruned to eliminate duplicates Z: 46 52.517 2.457 0.898 0.482 0.956 0.644 CB 1.790 46 residues pruned to eliminate duplicates Z: 48 48.933 2.335 0.819 0.650 0.915 0.617 CB 1.597 48 residues pruned to eliminate duplicates Z: 18 36.768 2.113 0.807 0.929 1.000 0.765 CB 1.635 18 residues pruned to eliminate duplicates Z: 22 20.289 1.981 0.750 0.556 0.857 0.714 CB 1.412 22 residues pruned to eliminate duplicates Z: 31 29.808 2.098 0.716 0.550 0.933 0.867 CB 1.543 31 residues pruned to eliminate duplicates Z: 18 40.969 2.143 0.977 0.894 1.000 0.706 CB 1.683 18 residues pruned to eliminate duplicates Z: 113 72.011 2.397 0.589 0.551 0.946 0.679 CB 1.795 113 residues pruned to eliminate duplicates Z: 11 15.294 1.968 0.188 0.921 1.000 0.900 CB 1.455 11 residues pruned to eliminate duplicates Z: 30 26.031 2.093 0.795 0.512 0.897 0.621 CB 1.418 30 residues pruned to eliminate duplicates Z: 6 2.771 1.527 0.850 0.514 0.600 0.600 CB 0.721 6 residues pruned to eliminate duplicates Z: 134 90.881 2.417 0.750 0.604 0.940 0.744 CB 1.797 134 residues pruned to eliminate duplicates Z: 18 16.189 1.878 0.374 0.900 1.000 0.882 CB 1.087 18 residues pruned to eliminate duplicates Z: 40 42.622 2.205 0.902 0.607 0.949 0.615 CB 1.550 40 residues pruned to eliminate duplicates Z: 10 23.966 2.229 0.444 0.910 1.000 0.889 CB 1.760 10 residues pruned to eliminate duplicates Z: 19 15.984 1.797 0.468 0.875 1.000 0.778 CB 1.039 19 residues pruned to eliminate duplicates Z: 12 16.979 2.196 0.638 0.545 1.000 0.727 CB 1.362 12 residues pruned to eliminate duplicates Z: 30 26.054 2.293 0.784 0.419 0.862 0.621 CB 1.493 30 residues pruned to eliminate duplicates Z: 84 70.114 2.459 0.973 0.503 0.916 0.699 CB 1.727 84 residues pruned to eliminate duplicates Z: 23 48.152 2.169 0.938 0.908 1.000 0.773 CB 1.734 23 residues pruned to eliminate duplicates Z: 75 83.959 2.434 1.084 0.650 0.932 0.730 CB 1.794 75 residues pruned to eliminate duplicates Z: 17 16.866 1.962 0.178 0.910 0.938 0.812 CB 1.379 17 residues pruned to eliminate duplicates Z: 18 17.831 1.707 0.484 0.905 1.000 0.765 CB 1.215 18 residues pruned to eliminate duplicates Z: 14 22.537 2.106 0.840 0.532 1.000 0.692 CB 1.562 14 residues pruned to eliminate duplicates Z: 39 64.063 2.362 1.021 0.719 0.947 0.711 CB 1.884 39 residues pruned to eliminate duplicates Z: 12 18.855 2.204 0.353 0.857 0.909 0.545 CB 1.546 12 residues pruned to eliminate duplicates Z: 6 8.128 2.057 0.309 0.710 0.800 0.400 CB 1.395 6 residues pruned to eliminate duplicates Z: 8 9.559 1.907 0.648 0.596 0.857 0.857 CB 1.223 8 residues pruned to eliminate duplicates Z: 8 6.406 1.765 0.464 0.598 0.857 0.857 CB 0.996 8 residues pruned to eliminate duplicates Z: 53 70.171 2.401 1.070 0.674 0.942 0.827 CB 1.770 53 residues pruned to eliminate duplicates Z: 22 55.004 2.281 1.107 0.910 1.000 0.762 CB 1.771 22 residues pruned to eliminate duplicates Z: 8 5.862 1.567 0.387 0.535 0.857 0.571 CB 1.149 6 residues pruned to eliminate duplicates Z: 37 59.031 2.308 0.933 0.790 0.972 0.667 CB 1.759 39 residues pruned to eliminate duplicates Z: 23 45.349 2.166 0.921 0.902 1.000 0.727 CB 1.657 23 residues pruned to eliminate duplicates Z: 11 19.159 2.002 0.736 0.619 1.000 0.800 CB 1.558 11 residues pruned to eliminate duplicates Z: 10 35.794 2.360 1.280 0.855 0.889 0.778 CB 1.841 10 residues pruned to eliminate duplicates Z: 21 21.358 2.039 0.598 0.587 0.950 0.750 CB 1.419 21 residues pruned to eliminate duplicates Z: 70 59.425 2.464 0.710 0.473 0.928 0.609 CB 1.880 70 residues pruned to eliminate duplicates Z: 17 15.912 1.804 0.223 0.928 1.000 0.875 CB 1.263 17 residues pruned to eliminate duplicates Z: 6 5.227 2.228 0.625 0.161 0.800 0.600 CA 1.221 6 residues pruned to eliminate duplicates Z: 10 3.430 1.668 0.251 0.480 0.778 0.556 CB 0.719 10 residues pruned to eliminate duplicates Z: 16 14.619 1.877 0.199 0.936 1.000 1.000 CB 1.167 16 residues pruned to eliminate duplicates Z: 15 18.880 1.731 0.615 0.946 1.000 0.929 CA 1.248 15 residues pruned to eliminate duplicates Z: 23 60.847 2.267 1.178 0.927 1.000 0.909 CB 1.841 23 residues pruned to eliminate duplicates Z: 44 68.441 2.502 1.048 0.702 0.884 0.767 CB 1.918 44 residues pruned to eliminate duplicates Z: 28 23.690 1.926 0.513 0.580 0.926 0.667 CA 1.564 23 residues pruned to eliminate duplicates Z: 6 6.334 1.787 0.751 0.584 0.800 0.800 CB 1.043 6 residues pruned to eliminate duplicates Z: 11 13.779 2.038 0.356 0.541 0.900 0.600 CB 1.684 11 residues pruned to eliminate duplicates Z: 13 35.276 2.422 0.751 0.822 1.000 0.833 C 1.816 13 residues pruned to eliminate duplicates Z: 108 94.013 2.466 0.952 0.613 0.925 0.710 CB 1.834 108 residues pruned to eliminate duplicates Z: 19 14.581 1.735 0.419 0.854 1.000 0.944 CB 1.031 19 residues pruned to eliminate duplicates Z: 7 2.743 1.787 -0.287 0.339 0.833 0.667 N 1.257 Z: 18 21.413 1.837 0.789 0.887 1.000 0.353 CB 1.139 18 residues pruned to eliminate duplicates Z: 6 11.692 2.164 0.143 0.866 1.000 0.800 CA 1.547 6 residues pruned to eliminate duplicates Z: 33 40.709 2.292 0.787 0.601 0.938 0.750 CB 1.702 33 residues pruned to eliminate duplicates Z: 10 10.340 1.859 0.479 0.525 1.000 0.667 CB 1.222 10 residues pruned to eliminate duplicates Z: 87 86.127 2.493 0.934 0.614 0.942 0.709 CB 1.837 87 residues pruned to eliminate duplicates Z: 22 31.628 2.417 0.655 0.515 0.952 0.714 CB 1.785 22 residues pruned to eliminate duplicates Z: 52 68.533 2.405 1.050 0.606 0.922 0.706 CB 1.909 52 residues pruned to eliminate duplicates Z: 23 61.373 2.527 0.913 0.895 1.000 0.727 CB 1.940 23 residues pruned to eliminate duplicates Z: 27 33.194 2.201 0.658 0.563 0.962 0.615 CA 1.744 27 residues pruned to eliminate duplicates Z: 9 22.041 2.046 0.619 0.829 1.000 0.750 CB 1.770 9 residues pruned to eliminate duplicates Z: 11 22.658 2.216 1.223 0.510 0.800 0.800 C 1.800 11 residues pruned to eliminate duplicates Z: 9 17.553 2.028 0.482 0.846 1.000 0.875 CB 1.534 9 residues pruned to eliminate duplicates Z: 55 28.443 1.964 0.665 0.565 0.852 0.704 CB 1.304 55 residues pruned to eliminate duplicates Z: 62 83.114 2.571 1.003 0.657 0.918 0.738 CB 1.947 62 residues pruned to eliminate duplicates Z: 43 42.550 2.305 0.933 0.577 0.905 0.690 CB 1.512 43 residues pruned to eliminate duplicates Z: 36 32.103 2.111 0.861 0.514 0.886 0.657 CB 1.538 36 residues pruned to eliminate duplicates Z: 39 26.298 2.144 0.416 0.528 0.895 0.711 CB 1.528 39 residues pruned to eliminate duplicates Z: 18 30.577 2.086 0.444 0.919 1.000 1.000 CB 1.736 18 residues pruned to eliminate duplicates Z: 24 39.880 2.348 0.885 0.664 0.957 0.826 CA 1.688 24 residues pruned to eliminate duplicates Z: 17 44.099 2.482 1.034 0.637 1.000 0.812 CB 1.920 17 residues pruned to eliminate duplicates Z: 126 83.590 2.423 0.728 0.566 0.920 0.672 CB 1.820 126 residues pruned to eliminate duplicates Z: 68 70.560 2.464 0.922 0.632 0.910 0.776 CB 1.766 68 residues pruned to eliminate duplicates Z: 65 84.696 2.519 1.123 0.669 0.891 0.719 CB 1.901 65 residues pruned to eliminate duplicates Z: 9 5.052 1.580 0.698 0.323 0.625 0.375 N 1.294 9 residues pruned to eliminate duplicates Z: 6 8.090 1.461 0.590 0.866 1.000 1.000 CA 1.140 6 residues pruned to eliminate duplicates Z: 38 27.850 2.159 0.398 0.527 0.919 0.757 CB 1.607 38 residues pruned to eliminate duplicates Z: 22 53.721 2.300 0.972 0.909 1.000 0.952 CB 1.835 22 residues pruned to eliminate duplicates Z: 32 35.275 2.305 0.911 0.525 0.871 0.710 CB 1.611 32 residues pruned to eliminate duplicates Z: 28 25.612 1.863 0.641 0.681 1.000 0.630 CB 1.366 28 residues pruned to eliminate duplicates Z: 16 16.766 2.404 0.493 0.460 0.733 0.600 CB 1.713 16 residues pruned to eliminate duplicates Z: 47 68.392 2.382 0.970 0.669 0.978 0.674 CB 1.879 47 residues pruned to eliminate duplicates Z: 34 34.601 2.251 0.675 0.567 0.970 0.697 CB 1.544 34 residues pruned to eliminate duplicates Z: 20 60.152 2.536 0.874 0.940 1.000 0.895 CA 2.016 20 residues pruned to eliminate duplicates Z: 24 43.747 2.112 0.966 0.899 0.957 0.783 CB 1.642 24 residues pruned to eliminate duplicates Z: 13 26.173 2.123 0.697 0.895 1.000 0.917 CA 1.503 13 residues pruned to eliminate duplicates Z: 45 45.028 2.246 0.691 0.652 0.909 0.818 CB 1.706 45 residues pruned to eliminate duplicates Z: 37 55.504 2.295 0.871 0.793 0.944 0.778 CB 1.765 37 residues pruned to eliminate duplicates Z: 10 33.845 2.168 1.436 0.852 1.000 1.000 CB 1.580 10 residues pruned to eliminate duplicates Z: 17 68.118 2.680 1.302 0.797 1.000 0.812 CA 2.129 17 residues pruned to eliminate duplicates Z: 12 21.112 2.074 0.781 0.636 0.909 0.818 CB 1.669 12 residues pruned to eliminate duplicates Z: 17 13.874 2.185 0.637 0.501 0.750 0.625 CB 1.291 17 residues pruned to eliminate duplicates Z: 9 17.896 2.108 0.372 0.859 1.000 0.875 CB 1.610 9 residues pruned to eliminate duplicates Z: 7 7.074 2.089 -0.001 0.660 0.833 0.667 CB 1.432 7 residues pruned to eliminate duplicates Z: 88 92.620 2.431 1.051 0.620 0.943 0.690 CB 1.886 189 residues pruned to eliminate duplicates Z: 23 48.040 2.145 0.938 0.912 1.000 0.682 CA 1.744 23 residues pruned to eliminate duplicates Z: 37 54.307 2.278 0.749 0.788 1.000 0.806 CB 1.763 37 residues pruned to eliminate duplicates Z: 21 45.057 2.494 0.777 0.677 1.000 0.800 CA 1.931 21 residues pruned to eliminate duplicates Z: 7 10.136 1.713 0.638 0.706 0.833 0.667 C 1.467 7 residues pruned to eliminate duplicates Z: 6 4.263 1.668 0.365 0.399 1.000 1.000 CA 0.932 6 residues pruned to eliminate duplicates Z: 19 20.909 2.156 0.649 0.563 0.889 0.667 CB 1.467 19 residues pruned to eliminate duplicates Z: 16 17.618 1.722 0.524 0.682 0.933 0.800 C 1.571 16 residues pruned to eliminate duplicates Z: 37 48.215 2.464 0.864 0.556 0.917 0.667 CB 1.807 37 residues pruned to eliminate duplicates Z: 11 17.235 2.483 0.434 0.463 0.900 0.700 CB 1.765 Z: 16 7.619 1.832 0.335 0.224 0.733 0.267 CB 1.515 16 residues pruned to eliminate duplicates Z: 15 25.109 2.209 0.724 0.552 0.929 0.643 CA 1.803 24 residues pruned to eliminate duplicates Z: 32 18.656 1.974 0.271 0.587 0.903 0.742 CB 1.359 32 residues pruned to eliminate duplicates Z: 68 84.951 2.443 1.064 0.667 0.970 0.701 CB 1.817 68 residues pruned to eliminate duplicates Z: 38 33.740 2.174 0.482 0.558 1.000 0.730 CB 1.628 38 residues pruned to eliminate duplicates Z: 51 76.006 2.428 0.959 0.676 0.980 0.700 CB 1.962 62 residues pruned to eliminate duplicates Z: 23 84.517 2.640 1.336 0.914 0.955 0.864 CB 2.165 23 residues pruned to eliminate duplicates Z: 54 41.687 2.259 0.563 0.547 0.943 0.623 CB 1.642 54 residues pruned to eliminate duplicates Z: 34 17.356 1.939 0.290 0.600 0.939 0.758 CB 1.169 Z: 12 16.862 1.933 0.621 0.893 0.909 0.909 CB 1.281 12 residues pruned to eliminate duplicates Z: 16 13.979 1.850 0.229 0.919 1.000 0.800 CB 1.118 16 residues pruned to eliminate duplicates Z: 9 19.878 2.123 0.647 0.795 1.000 0.625 CB 1.553 9 residues pruned to eliminate duplicates Z: 10 24.733 2.315 0.594 0.885 0.889 0.889 CA 1.815 10 residues pruned to eliminate duplicates Z: 31 44.195 2.475 0.798 0.531 0.967 0.633 CB 1.820 31 residues pruned to eliminate duplicates Z: 6 16.923 2.202 0.711 0.766 1.000 1.000 CB 1.586 6 residues pruned to eliminate duplicates Z: 14 12.408 1.818 0.789 0.704 0.846 0.692 CB 1.038 14 residues pruned to eliminate duplicates Z: 13 20.851 2.157 0.567 0.557 1.000 0.750 CA 1.685 13 residues pruned to eliminate duplicates Z: 12 16.448 1.888 0.827 0.586 0.909 0.636 C 1.457 Z: 7 2.560 1.763 -0.240 0.545 0.833 0.500 N 0.895 Z: 18 27.946 1.882 0.743 0.939 1.000 0.882 CB 1.436 18 residues pruned to eliminate duplicates Z: 27 23.102 1.984 0.754 0.525 0.923 0.654 CB 1.376 27 residues pruned to eliminate duplicates Z: 11 18.906 2.032 0.460 0.905 1.000 1.000 CB 1.434 11 residues pruned to eliminate duplicates Z: 8 14.047 2.217 0.630 0.559 0.857 0.714 CA 1.619 8 residues pruned to eliminate duplicates Z: 12 14.418 1.940 0.686 0.600 0.909 0.636 CB 1.329 12 residues pruned to eliminate duplicates Z: 12 9.911 1.877 0.592 0.612 0.909 0.727 CB 0.989 12 residues pruned to eliminate duplicates Z: 33 18.326 1.927 0.380 0.567 0.875 0.688 CB 1.305 33 residues pruned to eliminate duplicates Z: 33 35.337 2.361 0.553 0.606 0.906 0.688 CB 1.700 33 residues pruned to eliminate duplicates Z: 44 44.154 2.313 0.832 0.522 0.860 0.698 CB 1.808 44 residues pruned to eliminate duplicates Z: 10 22.800 2.304 0.728 0.598 1.000 0.889 CB 1.739 10 residues pruned to eliminate duplicates Z: 38 51.081 2.448 0.894 0.539 0.946 0.757 CB 1.843 50 residues pruned to eliminate duplicates Z: 29 33.092 2.109 0.667 0.642 0.964 0.714 CA 1.617 29 residues pruned to eliminate duplicates Z: 32 34.373 2.243 0.688 0.529 0.935 0.742 CB 1.694 Z: 11 9.173 1.808 0.890 0.369 0.700 0.400 CA 1.395 11 residues pruned to eliminate duplicates Z: 16 14.549 1.812 0.183 0.937 1.000 0.933 CB 1.219 16 residues pruned to eliminate duplicates Z: 34 28.416 2.132 0.493 0.602 0.909 0.788 CB 1.550 34 residues pruned to eliminate duplicates Z: 14 28.433 2.281 1.008 0.565 0.923 0.846 CB 1.750 14 residues pruned to eliminate duplicates Z: 43 48.059 2.361 0.919 0.521 0.929 0.690 CB 1.727 43 residues pruned to eliminate duplicates Z: 20 15.324 2.014 0.871 0.401 0.789 0.421 CB 1.311 20 residues pruned to eliminate duplicates Z: 45 70.502 2.405 1.137 0.709 0.977 0.864 CB 1.750 45 residues pruned to eliminate duplicates Z: 7 5.387 1.641 0.216 0.821 0.667 0.667 O 1.251 7 residues pruned to eliminate duplicates Z: 34 33.975 2.193 0.673 0.557 0.909 0.606 CB 1.678 35 residues pruned to eliminate duplicates Z: 26 17.418 2.059 0.920 0.413 0.760 0.520 CB 1.271 26 residues pruned to eliminate duplicates Z: 8 15.516 1.866 0.989 0.576 1.000 0.857 CA 1.468 Z: 17 23.599 2.148 0.567 0.607 1.000 0.875 CA 1.582 17 residues pruned to eliminate duplicates Z: 14 10.700 1.720 0.784 0.533 0.769 0.615 CB 1.218 14 residues pruned to eliminate duplicates Z: 6 8.630 1.718 1.146 0.729 1.000 0.800 CB 0.852 Z: 58 72.069 2.355 0.956 0.681 0.982 0.719 CB 1.787 58 residues pruned to eliminate duplicates Z: 29 53.847 2.560 0.979 0.590 0.964 0.714 CB 1.910 29 residues pruned to eliminate duplicates Z: 8 7.871 1.992 0.113 0.468 0.857 0.571 C 1.617 Z: 17 26.225 2.175 0.913 0.590 0.938 0.750 CB 1.542 17 residues pruned to eliminate duplicates Z: 101 54.258 2.247 0.614 0.507 0.910 0.620 CB 1.632 101 residues pruned to eliminate duplicates Z: 19 19.993 2.300 0.664 0.482 0.778 0.611 CB 1.612 19 residues pruned to eliminate duplicates Z: 7 3.364 1.507 0.181 0.178 1.000 0.500 N 1.138 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 8.396 1.697 0.516 0.746 0.833 0.833 CB 1.284 7 residues pruned to eliminate duplicates Z: 38 46.120 2.250 0.698 0.762 0.919 0.811 CB 1.711 38 residues pruned to eliminate duplicates Z: 37 54.825 2.306 0.828 0.791 0.972 0.806 CB 1.728 37 residues pruned to eliminate duplicates Z: 6 3.548 1.680 0.705 0.301 0.600 0.400 CA 1.152 6 residues pruned to eliminate duplicates Z: 48 55.379 2.219 0.865 0.714 0.957 0.787 CB 1.680 46 residues pruned to eliminate duplicates Z: 7 5.861 1.827 0.678 0.355 1.000 0.333 CA 0.912 7 residues pruned to eliminate duplicates Z: 33 52.938 2.248 0.872 0.773 0.969 0.781 CB 1.803 33 residues pruned to eliminate duplicates Z: 38 54.272 2.259 0.877 0.771 0.973 0.757 CB 1.702 38 residues pruned to eliminate duplicates Z: 37 59.459 2.307 0.876 0.798 1.000 0.889 CB 1.763 37 residues pruned to eliminate duplicates Z: 33 51.245 2.236 0.878 0.776 0.938 0.781 CA 1.803 33 residues pruned to eliminate duplicates Z: 38 53.235 2.240 0.813 0.771 1.000 0.811 CB 1.696 38 residues pruned to eliminate duplicates Z: 37 54.812 2.300 0.850 0.786 0.972 0.750 CB 1.718 37 residues pruned to eliminate duplicates Z: 45 58.038 2.246 0.872 0.728 0.977 0.773 CB 1.734 92 residues pruned to eliminate duplicates Z: 78 72.122 2.393 0.900 0.602 0.922 0.675 CB 1.779 78 residues pruned to eliminate duplicates Z: 46 52.799 2.192 0.820 0.700 0.956 0.711 CB 1.720 46 residues pruned to eliminate duplicates Z: 32 62.366 2.295 1.068 0.804 1.000 0.742 CB 1.810 Z: 22 46.211 2.262 0.927 0.909 0.952 0.810 CB 1.724 22 residues pruned to eliminate duplicates Z: 35 54.226 2.240 0.902 0.774 0.971 0.735 CB 1.765 35 residues pruned to eliminate duplicates Z: 32 61.636 2.279 1.064 0.789 1.000 0.742 CB 1.825 33 residues pruned to eliminate duplicates Z: 23 52.615 2.184 1.191 0.912 1.000 0.773 CB 1.660 23 residues pruned to eliminate duplicates Z: 37 59.327 2.303 0.944 0.790 1.000 0.778 CB 1.712 37 residues pruned to eliminate duplicates Z: 37 61.613 2.300 1.002 0.788 1.000 0.889 CB 1.732 31 residues pruned to eliminate duplicates Z: 21 60.774 2.278 1.330 0.915 1.000 0.650 CB 1.810 21 residues pruned to eliminate duplicates Z: 23 50.089 2.203 1.156 0.909 0.955 0.773 CB 1.672 23 residues pruned to eliminate duplicates Z: 38 51.557 2.217 0.990 0.756 0.919 0.730 CB 1.665 38 residues pruned to eliminate duplicates Z: 37 65.367 2.300 1.082 0.801 1.000 0.833 CB 1.748 37 residues pruned to eliminate duplicates Z: 23 51.226 2.207 1.150 0.904 0.955 0.818 CB 1.718 23 residues pruned to eliminate duplicates Z: 22 57.957 2.293 1.138 0.931 1.000 0.905 CB 1.803 22 residues pruned to eliminate duplicates Z: 6 3.245 1.607 0.401 0.246 0.800 0.800 CA 1.081 6 residues pruned to eliminate duplicates Z: 43 47.821 2.256 0.791 0.682 0.905 0.690 CB 1.707 43 residues pruned to eliminate duplicates Z: 94 76.640 2.413 0.875 0.606 0.914 0.710 CB 1.738 94 residues pruned to eliminate duplicates Z: 113 75.154 2.365 0.776 0.566 0.920 0.580 CB 1.724 113 residues pruned to eliminate duplicates Z: 16 13.995 2.113 0.603 0.504 0.733 0.667 CB 1.449 16 residues pruned to eliminate duplicates Z: 47 48.315 2.222 0.925 0.644 0.870 0.609 CB 1.675 47 residues pruned to eliminate duplicates Z: 52 49.366 2.193 0.817 0.680 0.922 0.686 CB 1.596 52 residues pruned to eliminate duplicates Z: 71 67.617 2.315 0.922 0.654 0.929 0.643 CB 1.694 71 residues pruned to eliminate duplicates Z: 32 54.623 2.281 0.984 0.791 0.935 0.710 CB 1.795 32 residues pruned to eliminate duplicates Z: 41 46.544 2.176 0.836 0.710 0.975 0.750 CB 1.562 41 residues pruned to eliminate duplicates Z: 22 51.982 2.350 0.938 0.907 0.952 0.714 CB 1.859 22 residues pruned to eliminate duplicates Z: 111 80.862 2.401 0.818 0.568 0.936 0.645 CB 1.767 111 residues pruned to eliminate duplicates Z: 33 53.481 2.226 0.911 0.750 1.000 0.781 CB 1.777 33 residues pruned to eliminate duplicates Z: 70 64.886 2.357 0.869 0.632 0.913 0.652 CB 1.716 70 residues pruned to eliminate duplicates Z: 130 80.286 2.340 0.733 0.588 0.946 0.651 CB 1.694 130 residues pruned to eliminate duplicates Z: 33 57.405 2.237 1.064 0.783 1.000 0.812 CB 1.713 38 residues pruned to eliminate duplicates Z: 23 50.240 2.254 0.884 0.910 1.000 0.818 CA 1.788 23 residues pruned to eliminate duplicates Z: 46 54.999 2.278 0.965 0.672 0.911 0.756 CB 1.716 46 residues pruned to eliminate duplicates Z: 23 54.392 2.281 1.065 0.914 0.955 0.909 CB 1.824 23 residues pruned to eliminate duplicates Z: 43 53.832 2.254 0.966 0.681 0.929 0.714 CB 1.709 43 residues pruned to eliminate duplicates Z: 112 77.550 2.382 0.823 0.560 0.946 0.622 CB 1.690 112 residues pruned to eliminate duplicates Z: 108 79.637 2.401 0.862 0.573 0.916 0.673 CB 1.753 108 residues pruned to eliminate duplicates Z: 98 83.360 2.435 0.924 0.613 0.907 0.629 CB 1.789 98 residues pruned to eliminate duplicates Z: 70 71.176 2.359 0.956 0.612 0.957 0.696 CB 1.746 70 residues pruned to eliminate duplicates Z: 19 61.997 2.396 1.375 0.872 1.000 0.722 CA 1.872 19 residues pruned to eliminate duplicates Z: 68 68.856 2.343 1.002 0.626 0.925 0.627 CB 1.722 63 residues pruned to eliminate duplicates Z: 10 22.408 2.257 0.496 0.727 1.000 0.889 CB 1.803 10 residues pruned to eliminate duplicates Z: 39 43.256 2.430 0.802 0.509 0.921 0.553 CB 1.723 39 residues pruned to eliminate duplicates Z: 13 17.095 2.314 0.516 0.475 0.833 0.500 CB 1.731 13 residues pruned to eliminate duplicates Z: 14 18.901 2.220 0.797 0.443 0.923 0.692 CA 1.510 14 residues pruned to eliminate duplicates Z: 34 43.344 2.437 0.880 0.517 0.879 0.576 CB 1.843 34 residues pruned to eliminate duplicates Z: 66 62.325 2.492 0.883 0.542 0.892 0.585 CB 1.771 66 residues pruned to eliminate duplicates Z: 34 44.407 2.426 0.908 0.510 0.909 0.515 CB 1.819 34 residues pruned to eliminate duplicates Z: 129 81.713 2.342 0.760 0.579 0.945 0.617 CB 1.719 129 residues pruned to eliminate duplicates Z: 33 42.795 2.490 0.811 0.562 0.875 0.688 CB 1.806 33 residues pruned to eliminate duplicates Z: 68 57.210 2.305 0.922 0.594 0.881 0.642 CB 1.637 68 residues pruned to eliminate duplicates Z: 33 45.341 2.475 0.802 0.553 0.938 0.562 CB 1.821 33 residues pruned to eliminate duplicates Z: 34 44.364 2.428 0.827 0.553 0.879 0.606 CB 1.881 34 residues pruned to eliminate duplicates Z: 70 71.326 2.349 1.014 0.649 0.928 0.652 CB 1.703 70 residues pruned to eliminate duplicates Z: 33 45.986 2.482 0.887 0.533 0.906 0.594 CB 1.854 33 residues pruned to eliminate duplicates Z: 35 43.268 2.408 0.914 0.531 0.912 0.588 CB 1.712 35 residues pruned to eliminate duplicates Z: 68 63.502 2.339 0.856 0.615 0.940 0.642 CB 1.705 68 residues pruned to eliminate duplicates Z: 34 48.236 2.445 0.906 0.542 0.909 0.636 CB 1.902 34 residues pruned to eliminate duplicates Z: 40 37.535 2.434 0.749 0.475 0.872 0.590 CB 1.662 40 residues pruned to eliminate duplicates Z: 94 75.978 2.419 0.921 0.575 0.914 0.645 CB 1.726 94 residues pruned to eliminate duplicates Z: 98 62.851 2.334 0.689 0.530 0.938 0.608 CB 1.675 98 residues pruned to eliminate duplicates Z: 34 41.859 2.436 0.729 0.527 0.909 0.606 CB 1.852 34 residues pruned to eliminate duplicates Z: 33 45.775 2.482 0.815 0.542 0.938 0.562 CB 1.839 33 residues pruned to eliminate duplicates Z: 24 43.832 2.549 0.941 0.547 0.957 0.609 CB 1.843 24 residues pruned to eliminate duplicates Z: 40 44.515 2.387 0.790 0.507 0.923 0.538 CB 1.795 40 residues pruned to eliminate duplicates Z: 69 59.419 2.313 0.929 0.553 0.912 0.603 CB 1.682 69 residues pruned to eliminate duplicates Z: 76 54.577 2.427 0.691 0.450 0.907 0.520 CB 1.782 76 residues pruned to eliminate duplicates Z: 64 63.215 2.336 0.807 0.618 0.952 0.683 CB 1.772 64 residues pruned to eliminate duplicates Z: 32 46.901 2.508 0.815 0.559 0.968 0.581 CB 1.805 32 residues pruned to eliminate duplicates Z: 128 76.592 2.299 0.800 0.549 0.945 0.614 CB 1.657 133 residues pruned to eliminate duplicates Z: 7 4.385 1.666 0.263 0.427 0.833 0.500 CB 1.102 7 residues pruned to eliminate duplicates Z: 34 35.796 2.491 0.657 0.467 0.818 0.545 CB 1.909 34 residues pruned to eliminate duplicates Z: 35 49.959 2.535 0.870 0.528 0.941 0.647 CB 1.867 35 residues pruned to eliminate duplicates Z: 64 41.473 2.277 0.492 0.520 0.937 0.587 CB 1.609 64 residues pruned to eliminate duplicates Z: 37 43.092 2.430 0.827 0.492 0.889 0.556 CB 1.835 37 residues pruned to eliminate duplicates Z: 67 40.552 2.235 0.528 0.502 0.939 0.667 CB 1.552 67 residues pruned to eliminate duplicates Z: 117 71.898 2.398 0.698 0.512 0.905 0.664 CB 1.789 221 residues pruned to eliminate duplicates Z: 10 31.591 2.532 1.063 0.782 0.889 0.778 CB 1.769 10 residues pruned to eliminate duplicates Z: 64 53.918 2.493 0.675 0.524 0.889 0.635 CB 1.787 64 residues pruned to eliminate duplicates Z: 22 40.638 2.550 0.831 0.527 0.952 0.667 CA 1.940 22 residues pruned to eliminate duplicates Z: 36 40.344 2.453 0.659 0.496 0.914 0.600 CB 1.842 36 residues pruned to eliminate duplicates Z: 36 45.272 2.489 0.771 0.498 0.943 0.686 CB 1.844 36 residues pruned to eliminate duplicates Z: 34 43.632 2.479 0.851 0.529 0.909 0.636 CB 1.770 34 residues pruned to eliminate duplicates Z: 63 57.358 2.533 0.750 0.535 0.871 0.645 CB 1.823 63 residues pruned to eliminate duplicates Z: 64 41.717 2.287 0.493 0.538 0.905 0.683 CB 1.640 64 residues pruned to eliminate duplicates Z: 68 45.783 2.247 0.602 0.501 0.940 0.612 CB 1.651 68 residues pruned to eliminate duplicates Z: 63 41.565 2.225 0.507 0.566 0.935 0.677 CB 1.579 63 residues pruned to eliminate duplicates Z: 100 77.986 2.399 0.859 0.603 0.919 0.697 CB 1.734 95 residues pruned to eliminate duplicates Z: 8 10.795 2.054 0.737 0.461 1.000 0.571 CB 1.190 8 residues pruned to eliminate duplicates Z: 65 39.166 2.233 0.574 0.520 0.875 0.609 CB 1.562 65 residues pruned to eliminate duplicates Z: 36 42.755 2.475 0.720 0.525 0.914 0.686 CB 1.811 36 residues pruned to eliminate duplicates Z: 101 78.428 2.394 0.832 0.554 0.940 0.670 CB 1.805 101 residues pruned to eliminate duplicates Z: 134 74.073 2.277 0.809 0.574 0.880 0.632 CB 1.651 134 residues pruned to eliminate duplicates Z: 44 41.238 2.394 0.698 0.447 0.930 0.581 CB 1.755 44 residues pruned to eliminate duplicates Z: 64 45.557 2.291 0.532 0.550 0.937 0.762 CB 1.662 64 residues pruned to eliminate duplicates Z: 36 34.708 2.345 0.741 0.449 0.857 0.543 CB 1.767 36 residues pruned to eliminate duplicates Z: 37 18.678 1.994 0.260 0.461 0.889 0.667 CB 1.450 37 residues pruned to eliminate duplicates Z: 65 46.123 2.279 0.628 0.503 0.953 0.641 CB 1.626 65 residues pruned to eliminate duplicates Z: 64 41.893 2.285 0.521 0.527 0.905 0.730 CB 1.634 64 residues pruned to eliminate duplicates Z: 44 27.555 2.126 0.471 0.552 0.884 0.744 CB 1.446 44 residues pruned to eliminate duplicates Z: 38 26.131 2.070 0.367 0.564 0.946 0.703 CB 1.508 38 residues pruned to eliminate duplicates Z: 67 45.013 2.239 0.600 0.534 0.939 0.652 CB 1.592 67 residues pruned to eliminate duplicates Z: 33 19.504 1.973 0.349 0.572 0.875 0.719 CB 1.381 Z: 6 12.659 2.022 0.670 0.539 1.000 0.400 CB 1.614 6 residues pruned to eliminate duplicates Z: 23 29.344 2.264 0.848 0.466 0.955 0.591 CB 1.622 56 residues pruned to eliminate duplicates Z: 50 45.850 2.385 0.877 0.488 0.898 0.551 CB 1.649 50 residues pruned to eliminate duplicates Z: 67 41.889 2.220 0.529 0.535 0.955 0.712 CB 1.538 67 residues pruned to eliminate duplicates Z: 46 25.489 1.994 0.456 0.545 0.867 0.667 CB 1.445 46 residues pruned to eliminate duplicates Z: 44 25.686 2.028 0.557 0.491 0.907 0.605 CB 1.380 44 residues pruned to eliminate duplicates Z: 22 22.345 1.973 0.473 0.703 1.000 0.714 CB 1.395 Z: 18 18.046 1.864 0.256 0.884 0.941 0.765 CB 1.435 18 residues pruned to eliminate duplicates Z: 24 18.580 1.898 0.353 0.685 0.913 0.696 CB 1.393 24 residues pruned to eliminate duplicates Z: 23 16.735 1.911 0.387 0.667 0.818 0.636 CB 1.409 23 residues pruned to eliminate duplicates Z: 23 17.904 1.920 0.370 0.719 0.909 0.682 CB 1.310 23 residues pruned to eliminate duplicates Z: 90 64.263 2.352 0.793 0.553 0.910 0.652 CB 1.686 90 residues pruned to eliminate duplicates Z: 23 22.007 1.926 0.541 0.672 0.955 0.545 CB 1.413 22 residues pruned to eliminate duplicates Z: 18 28.376 1.899 0.705 0.916 1.000 0.647 CB 1.501 19 residues pruned to eliminate duplicates Z: 19 23.653 1.821 0.767 0.847 1.000 0.722 CB 1.286 19 residues pruned to eliminate duplicates Z: 32 31.200 2.037 0.809 0.611 0.968 0.516 CB 1.415 22 residues pruned to eliminate duplicates Z: 20 24.404 1.770 0.806 0.874 1.000 0.684 CB 1.274 20 residues pruned to eliminate duplicates Z: 38 24.095 1.941 0.598 0.564 0.892 0.541 CB 1.346 38 residues pruned to eliminate duplicates Z: 36 25.602 1.965 0.702 0.553 0.886 0.600 CB 1.388 36 residues pruned to eliminate duplicates Z: 22 21.549 1.920 0.788 0.748 0.810 0.619 CB 1.356 22 residues pruned to eliminate duplicates Z: 36 29.408 2.035 0.734 0.574 0.914 0.571 CB 1.434 68 residues pruned to eliminate duplicates Z: 45 37.552 2.157 0.766 0.598 0.909 0.568 CB 1.489 45 residues pruned to eliminate duplicates Z: 7 3.702 1.866 0.017 0.234 0.833 0.667 CB 1.303 Z: 7 6.491 2.024 0.449 0.224 0.833 0.667 CB 1.497 7 residues pruned to eliminate duplicates Z: 6 7.133 1.751 0.954 0.465 1.000 0.800 CB 0.966 Z: 7 7.724 1.874 1.234 0.266 0.667 0.500 CB 1.474 5 residues pruned to eliminate duplicates Z: 6 7.621 1.869 0.280 0.446 1.000 0.600 C 1.506 6 residues pruned to eliminate duplicates Z: 16 20.289 1.902 0.458 0.786 1.000 0.867 CB 1.468 6 residues pruned to eliminate duplicates Z: 15 17.389 1.976 0.346 0.767 1.000 0.857 CB 1.379 15 residues pruned to eliminate duplicates Z: 48 36.101 2.005 0.713 0.631 0.936 0.660 CB 1.447 18 residues pruned to eliminate duplicates Z: 11 14.910 1.940 0.299 0.898 0.900 0.900 CB 1.487 11 residues pruned to eliminate duplicates Z: 28 24.331 2.144 0.655 0.551 0.889 0.741 CB 1.412 28 residues pruned to eliminate duplicates Z: 38 40.236 2.176 0.929 0.600 0.919 0.649 CB 1.560 25 residues pruned to eliminate duplicates Z: 11 19.737 1.942 0.592 0.910 1.000 1.000 CB 1.432 11 residues pruned to eliminate duplicates Z: 27 30.665 2.135 0.869 0.596 0.923 0.769 CB 1.490 27 residues pruned to eliminate duplicates Z: 28 29.709 2.094 0.718 0.556 0.963 0.704 CB 1.563 28 residues pruned to eliminate duplicates Z: 25 34.440 2.142 0.817 0.608 0.958 0.750 CB 1.702 25 residues pruned to eliminate duplicates Z: 27 29.092 2.107 0.727 0.594 0.962 0.885 CB 1.491 27 residues pruned to eliminate duplicates Z: 24 31.391 2.215 0.768 0.616 0.957 0.826 CB 1.566 24 residues pruned to eliminate duplicates Z: 24 30.443 2.214 0.711 0.608 0.957 0.870 CB 1.580 24 residues pruned to eliminate duplicates Z: 8 3.365 1.801 0.194 0.227 0.714 0.286 CB 1.139 8 residues pruned to eliminate duplicates Z: 42 36.581 2.140 0.792 0.544 0.951 0.659 CB 1.500 42 residues pruned to eliminate duplicates Z: 19 22.540 2.316 0.777 0.415 0.889 0.500 CB 1.586 19 residues pruned to eliminate duplicates Z: 40 34.740 2.172 0.804 0.553 0.872 0.590 CB 1.546 40 residues pruned to eliminate duplicates Z: 6 12.686 2.060 1.006 0.309 1.000 0.600 CA 1.696 6 residues pruned to eliminate duplicates Z: 11 20.350 2.137 1.102 0.551 0.800 0.500 CB 1.705 11 residues pruned to eliminate duplicates Z: 40 35.846 2.187 0.753 0.575 0.923 0.667 CB 1.509 40 residues pruned to eliminate duplicates Z: 21 20.771 2.175 0.773 0.404 0.900 0.500 CB 1.480 21 residues pruned to eliminate duplicates Z: 11 20.987 2.016 1.128 0.590 0.900 0.600 CB 1.576 11 residues pruned to eliminate duplicates Z: 6 2.413 1.660 0.514 0.323 0.600 0.600 CB 0.870 6 residues pruned to eliminate duplicates Z: 15 13.831 1.764 0.608 0.542 1.000 0.714 CB 1.251 9 residues pruned to eliminate duplicates Z: 26 56.603 2.420 0.958 0.807 0.920 0.720 CB 1.986 26 residues pruned to eliminate duplicates Z: 50 57.571 2.286 0.853 0.647 0.918 0.714 CB 1.843 50 residues pruned to eliminate duplicates Z: 48 56.473 2.357 0.883 0.658 0.915 0.745 CB 1.752 49 residues pruned to eliminate duplicates Z: 23 67.781 2.511 1.074 0.900 0.955 0.773 CB 2.076 23 residues pruned to eliminate duplicates Z: 63 84.311 2.489 0.976 0.666 0.984 0.694 CB 1.898 63 residues pruned to eliminate duplicates Z: 134 73.240 2.265 0.718 0.583 0.932 0.662 CB 1.616 133 residues pruned to eliminate duplicates Z: 23 73.667 2.520 1.110 0.905 1.000 0.773 CB 2.102 23 residues pruned to eliminate duplicates Z: 69 74.600 2.390 0.909 0.646 0.956 0.662 CB 1.809 69 residues pruned to eliminate duplicates Z: 54 82.388 2.562 0.956 0.667 0.981 0.736 CB 1.972 54 residues pruned to eliminate duplicates Z: 44 60.533 2.380 0.963 0.641 0.907 0.698 CB 1.911 44 residues pruned to eliminate duplicates Z: 58 82.315 2.486 1.082 0.651 0.947 0.596 CB 1.931 58 residues pruned to eliminate duplicates Z: 130 78.154 2.289 0.805 0.574 0.938 0.620 CB 1.653 130 residues pruned to eliminate duplicates Z: 38 66.481 2.453 1.071 0.677 0.919 0.703 CB 1.990 38 residues pruned to eliminate duplicates Z: 44 60.735 2.390 0.985 0.633 0.930 0.698 CB 1.852 44 residues pruned to eliminate duplicates Z: 44 72.304 2.410 1.096 0.683 0.953 0.744 CB 1.935 44 residues pruned to eliminate duplicates Z: 45 69.076 2.401 1.081 0.658 0.955 0.705 CB 1.885 45 residues pruned to eliminate duplicates Z: 106 85.656 2.405 0.903 0.571 0.943 0.629 CB 1.808 137 residues pruned to eliminate duplicates Z: 134 78.568 2.269 0.786 0.583 0.947 0.714 CB 1.638 134 residues pruned to eliminate duplicates Z: 44 72.613 2.432 1.088 0.685 0.977 0.674 CB 1.884 50 residues pruned to eliminate duplicates Z: 23 85.326 2.511 1.388 0.924 1.000 0.773 CB 2.130 23 residues pruned to eliminate duplicates Z: 38 69.687 2.447 1.255 0.691 0.892 0.649 CB 1.955 38 residues pruned to eliminate duplicates Z: 91 85.853 2.428 0.992 0.604 0.922 0.633 CB 1.838 91 residues pruned to eliminate duplicates Z: 97 88.287 2.412 0.967 0.605 0.948 0.594 CB 1.813 97 residues pruned to eliminate duplicates Z: 90 85.000 2.424 0.911 0.616 0.955 0.618 CB 1.824 90 residues pruned to eliminate duplicates Z: 81 83.430 2.413 0.991 0.599 0.963 0.663 CB 1.837 81 residues pruned to eliminate duplicates Z: 97 89.691 2.410 0.991 0.612 0.938 0.688 CB 1.830 96 residues pruned to eliminate duplicates Z: 9 21.130 2.239 0.572 0.741 1.000 0.625 C 1.710 9 residues pruned to eliminate duplicates Z: 45 65.018 2.384 1.078 0.636 0.932 0.705 CB 1.870 45 residues pruned to eliminate duplicates Z: 96 91.830 2.417 1.002 0.628 0.947 0.674 CB 1.822 97 residues pruned to eliminate duplicates Z: 8 17.342 2.206 0.716 0.799 0.857 0.714 CA 1.555 8 residues pruned to eliminate duplicates Z: 62 89.669 2.451 1.139 0.679 0.967 0.672 CB 1.920 62 residues pruned to eliminate duplicates Z: 37 36.676 2.213 0.906 0.525 0.944 0.639 CB 1.497 37 residues pruned to eliminate duplicates Z: 96 89.138 2.400 0.995 0.609 0.937 0.642 CB 1.839 96 residues pruned to eliminate duplicates Z: 64 76.018 2.412 1.109 0.594 0.937 0.619 CB 1.837 64 residues pruned to eliminate duplicates Z: 100 82.127 2.384 0.897 0.578 0.929 0.636 CB 1.823 100 residues pruned to eliminate duplicates Z: 98 49.595 2.183 0.646 0.525 0.907 0.639 CB 1.507 42 residues pruned to eliminate duplicates Z: 12 26.531 2.456 0.307 0.798 1.000 0.818 CB 1.921 12 residues pruned to eliminate duplicates Z: 128 81.245 2.312 0.846 0.582 0.929 0.677 CB 1.680 128 residues pruned to eliminate duplicates Z: 28 31.344 2.347 0.829 0.467 0.852 0.481 CB 1.706 28 residues pruned to eliminate duplicates Z: 91 82.107 2.415 0.917 0.598 0.956 0.644 CB 1.783 91 residues pruned to eliminate duplicates Z: 87 49.741 2.210 0.658 0.536 0.907 0.640 CB 1.558 82 residues pruned to eliminate duplicates Z: 10 28.291 2.203 0.897 0.845 1.000 0.778 CB 1.678 10 residues pruned to eliminate duplicates Z: 62 86.993 2.487 1.044 0.677 0.967 0.770 CB 1.925 165 residues pruned to eliminate duplicates Z: 62 48.469 2.316 0.716 0.497 0.934 0.574 CB 1.677 Z: 11 38.858 2.526 1.151 0.669 1.000 0.800 CB 1.935 11 residues pruned to eliminate duplicates Z: 24 46.134 2.429 1.110 0.565 0.957 0.609 CB 1.843 24 residues pruned to eliminate duplicates Z: 6 8.313 1.999 0.837 0.341 0.800 0.800 CB 1.505 6 residues pruned to eliminate duplicates Z: 59 87.640 2.472 1.186 0.636 0.983 0.690 CB 1.908 121 residues pruned to eliminate duplicates Z: 135 75.309 2.263 0.781 0.594 0.925 0.657 CB 1.594 135 residues pruned to eliminate duplicates Z: 35 31.523 2.191 0.885 0.440 0.853 0.500 CB 1.632 Z: 6 3.473 1.655 0.134 0.430 0.800 0.400 CB 1.112 6 residues pruned to eliminate duplicates Z: 37 38.528 2.276 0.699 0.536 0.944 0.694 CB 1.697 10 residues pruned to eliminate duplicates Z: 6 5.201 1.908 -0.080 0.438 1.000 0.600 CA 1.413 6 residues pruned to eliminate duplicates Z: 37 35.582 2.182 0.794 0.526 0.889 0.583 CB 1.661 37 residues pruned to eliminate duplicates Z: 36 31.764 2.223 0.658 0.497 0.886 0.629 CB 1.650 36 residues pruned to eliminate duplicates Z: 38 28.173 2.156 0.636 0.524 0.865 0.649 CB 1.483 38 residues pruned to eliminate duplicates Z: 88 52.672 2.236 0.684 0.562 0.897 0.621 CB 1.576 62 residues pruned to eliminate duplicates Z: 10 35.387 2.482 1.035 0.778 1.000 0.778 CB 1.827 10 residues pruned to eliminate duplicates Z: 57 48.091 2.330 0.708 0.549 0.911 0.643 CB 1.690 57 residues pruned to eliminate duplicates Z: 12 23.823 2.038 1.117 0.874 0.909 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 31 30.263 2.209 0.664 0.538 0.867 0.567 CB 1.671 31 residues pruned to eliminate duplicates Z: 38 34.154 2.231 0.715 0.541 0.919 0.703 CB 1.534 38 residues pruned to eliminate duplicates Z: 72 40.963 2.132 0.551 0.558 0.944 0.718 CB 1.473 64 residues pruned to eliminate duplicates Z: 10 34.932 2.365 1.149 0.868 1.000 0.889 CB 1.675 10 residues pruned to eliminate duplicates Z: 113 77.003 2.305 0.857 0.580 0.920 0.661 CB 1.711 209 residues pruned to eliminate duplicates Z: 34 33.501 2.208 0.586 0.530 0.970 0.697 CB 1.667 Z: 8 10.736 1.795 0.443 0.890 0.857 0.571 CA 1.315 8 residues pruned to eliminate duplicates Z: 34 39.132 2.251 0.766 0.573 0.970 0.788 CB 1.647 34 residues pruned to eliminate duplicates Z: 7 12.879 2.043 0.423 0.848 1.000 0.500 CA 1.342 7 residues pruned to eliminate duplicates Z: 33 40.791 2.285 0.711 0.578 0.969 0.719 CB 1.767 29 residues pruned to eliminate duplicates Z: 8 14.918 1.972 0.592 0.595 1.000 0.714 CA 1.641 8 residues pruned to eliminate duplicates Z: 33 37.192 2.297 0.666 0.595 0.938 0.719 CB 1.674 33 residues pruned to eliminate duplicates Z: 33 39.224 2.280 0.683 0.571 0.969 0.719 CB 1.741 34 residues pruned to eliminate duplicates Z: 6 4.372 1.829 0.485 0.250 0.800 0.800 CB 1.200 5 residues pruned to eliminate duplicates Z: 9 8.212 2.016 0.141 0.428 0.875 0.500 CA 1.555 4 residues pruned to eliminate duplicates Z: 9 7.141 1.856 0.263 0.457 0.875 0.375 CA 1.287 9 residues pruned to eliminate duplicates Z: 7 9.166 1.664 0.440 0.728 1.000 0.667 C 1.271 7 residues pruned to eliminate duplicates Z: 7 10.844 1.880 0.512 0.653 1.000 0.333 CA 1.350 7 residues pruned to eliminate duplicates Z: 7 11.424 1.844 0.896 0.503 1.000 0.333 CA 1.329 8 residues pruned to eliminate duplicates Z: 8 13.545 2.061 0.695 0.421 1.000 0.429 CA 1.591 8 residues pruned to eliminate duplicates Z: 110 79.877 2.334 0.888 0.575 0.936 0.670 CB 1.726 110 residues pruned to eliminate duplicates Z: 35 18.398 1.939 0.297 0.584 0.941 0.735 CB 1.230 10 residues pruned to eliminate duplicates Z: 19 12.996 1.832 0.216 0.826 1.000 0.889 CB 1.037 19 residues pruned to eliminate duplicates Z: 25 21.821 2.062 0.509 0.642 0.917 0.750 CB 1.367 25 residues pruned to eliminate duplicates Z: 33 22.131 2.005 0.462 0.597 0.969 0.781 CB 1.256 33 residues pruned to eliminate duplicates Z: 34 20.299 1.976 0.522 0.584 0.939 0.727 CB 1.154 34 residues pruned to eliminate duplicates Z: 29 16.978 1.904 0.290 0.678 0.964 0.750 CB 1.150 25 residues pruned to eliminate duplicates Z: 17 13.345 1.834 0.131 0.925 1.000 1.000 CB 1.129 17 residues pruned to eliminate duplicates Z: 40 21.084 1.969 0.453 0.589 0.923 0.718 CB 1.175 40 residues pruned to eliminate duplicates Z: 18 16.828 1.869 0.350 0.906 1.000 0.882 CB 1.150 18 residues pruned to eliminate duplicates Z: 57 44.422 2.249 0.605 0.596 0.964 0.786 CB 1.555 57 residues pruned to eliminate duplicates Z: 18 17.656 1.856 0.459 0.923 1.000 0.882 CB 1.111 18 residues pruned to eliminate duplicates Z: 27 14.468 1.786 0.483 0.620 0.885 0.731 CB 1.081 27 residues pruned to eliminate duplicates Z: 35 22.301 1.934 0.659 0.597 0.912 0.676 CB 1.191 35 residues pruned to eliminate duplicates Z: 34 22.034 1.938 0.493 0.609 0.939 0.697 CB 1.272 34 residues pruned to eliminate duplicates Z: 66 40.531 2.139 0.604 0.581 0.923 0.677 CB 1.468 66 residues pruned to eliminate duplicates Z: 24 16.050 1.820 0.522 0.693 0.957 0.696 CB 1.059 24 residues pruned to eliminate duplicates Z: 32 25.455 1.992 0.703 0.606 0.968 0.677 CB 1.260 32 residues pruned to eliminate duplicates Z: 80 39.346 2.057 0.651 0.522 0.911 0.646 CB 1.399 73 residues pruned to eliminate duplicates Z: 21 20.187 1.830 0.726 0.757 1.000 0.650 CB 1.136 21 residues pruned to eliminate duplicates Z: 34 26.175 1.980 0.666 0.611 0.970 0.667 CB 1.281 34 residues pruned to eliminate duplicates Z: 36 24.192 1.940 0.695 0.585 0.886 0.514 CB 1.294 36 residues pruned to eliminate duplicates Z: 8 10.982 1.989 0.493 0.562 1.000 0.571 CB 1.316 8 residues pruned to eliminate duplicates Z: 40 25.070 1.926 0.751 0.572 0.949 0.564 CB 1.170 40 residues pruned to eliminate duplicates Z: 42 27.770 1.925 0.776 0.610 0.951 0.659 CB 1.202 47 residues pruned to eliminate duplicates Z: 6 3.485 1.382 0.837 0.433 0.800 0.600 CB 0.822 6 residues pruned to eliminate duplicates Z: 14 13.503 1.827 0.827 0.638 0.846 0.692 CB 1.165 14 residues pruned to eliminate duplicates Z: 16 16.395 1.872 0.756 0.603 0.867 0.667 CB 1.347 15 residues pruned to eliminate duplicates Z: 7 5.662 1.534 1.128 0.248 0.833 0.667 CA 1.136 Z: 26 74.818 2.536 1.125 0.832 1.000 0.920 CA 2.084 Z: 25 76.645 2.601 1.103 0.894 1.000 0.833 CB 2.052 26 residues pruned to eliminate duplicates Z: 22 76.049 2.717 1.127 0.925 0.952 0.857 CB 2.116 22 residues pruned to eliminate duplicates Z: 136 91.451 2.423 0.764 0.596 0.941 0.741 CB 1.786 136 residues pruned to eliminate duplicates Z: 68 83.343 2.508 1.011 0.647 0.940 0.776 CB 1.872 93 residues pruned to eliminate duplicates Z: 134 94.218 2.440 0.805 0.598 0.932 0.692 CB 1.813 134 residues pruned to eliminate duplicates Z: 84 80.146 2.491 0.949 0.602 0.928 0.747 CB 1.772 84 residues pruned to eliminate duplicates Z: 64 78.519 2.512 0.993 0.644 0.937 0.746 CB 1.845 64 residues pruned to eliminate duplicates Z: 67 87.767 2.510 1.056 0.666 0.955 0.773 CB 1.881 67 residues pruned to eliminate duplicates Z: 128 98.124 2.486 0.789 0.610 0.929 0.717 CB 1.898 128 residues pruned to eliminate duplicates Z: 80 82.982 2.527 0.988 0.599 0.911 0.684 CB 1.855 80 residues pruned to eliminate duplicates Z: 130 92.695 2.439 0.858 0.573 0.915 0.713 CB 1.836 130 residues pruned to eliminate duplicates Z: 85 78.644 2.467 1.007 0.593 0.893 0.655 CB 1.776 85 residues pruned to eliminate duplicates Z: 68 80.783 2.474 0.961 0.653 0.955 0.761 CB 1.847 68 residues pruned to eliminate duplicates Z: 66 88.505 2.528 1.054 0.672 0.969 0.754 CB 1.862 66 residues pruned to eliminate duplicates Z: 69 85.848 2.496 1.084 0.636 0.941 0.750 CB 1.872 69 residues pruned to eliminate duplicates Z: 86 84.744 2.475 1.041 0.596 0.941 0.741 CB 1.764 86 residues pruned to eliminate duplicates Z: 98 105.944 2.527 1.074 0.618 0.948 0.701 CB 1.936 98 residues pruned to eliminate duplicates Z: 63 92.639 2.564 1.149 0.652 0.952 0.742 CB 1.948 63 residues pruned to eliminate duplicates Z: 134 96.364 2.438 0.829 0.601 0.947 0.684 CB 1.796 134 residues pruned to eliminate duplicates Z: 98 76.011 2.411 0.799 0.599 0.918 0.660 CB 1.765 98 residues pruned to eliminate duplicates Z: 69 88.100 2.476 1.103 0.666 0.956 0.721 CB 1.841 69 residues pruned to eliminate duplicates Z: 64 80.095 2.511 1.024 0.629 0.952 0.651 CB 1.847 64 residues pruned to eliminate duplicates Z: 131 95.975 2.444 0.845 0.612 0.923 0.715 CB 1.818 131 residues pruned to eliminate duplicates Z: 64 89.854 2.553 1.099 0.641 0.952 0.730 CB 1.943 64 residues pruned to eliminate duplicates Z: 86 82.878 2.475 0.960 0.596 0.953 0.718 CB 1.773 93 residues pruned to eliminate duplicates Z: 99 95.017 2.523 0.954 0.615 0.929 0.724 CB 1.881 99 residues pruned to eliminate duplicates Z: 135 97.277 2.429 0.836 0.594 0.970 0.694 CB 1.776 135 residues pruned to eliminate duplicates Z: 71 77.645 2.483 1.033 0.617 0.900 0.686 CB 1.828 71 residues pruned to eliminate duplicates Z: 80 87.692 2.528 1.059 0.595 0.924 0.696 CB 1.873 80 residues pruned to eliminate duplicates Z: 85 80.511 2.466 0.971 0.589 0.940 0.679 CB 1.766 85 residues pruned to eliminate duplicates Z: 136 95.626 2.416 0.829 0.593 0.941 0.689 CB 1.811 136 residues pruned to eliminate duplicates Z: 129 102.121 2.476 0.873 0.604 0.945 0.695 CB 1.865 129 residues pruned to eliminate duplicates Z: 64 92.074 2.568 1.082 0.655 0.952 0.683 CB 1.973 64 residues pruned to eliminate duplicates Z: 122 73.574 2.330 0.733 0.548 0.926 0.686 CB 1.707 122 residues pruned to eliminate duplicates Z: 60 78.621 2.518 0.994 0.623 0.966 0.712 CB 1.878 60 residues pruned to eliminate duplicates Z: 70 80.790 2.438 1.066 0.642 0.971 0.754 CB 1.741 70 residues pruned to eliminate duplicates Z: 134 87.588 2.394 0.766 0.586 0.962 0.714 CB 1.719 134 residues pruned to eliminate duplicates Z: 134 98.669 2.430 0.878 0.600 0.947 0.707 CB 1.800 134 residues pruned to eliminate duplicates Z: 71 85.650 2.490 1.069 0.652 0.957 0.729 CB 1.801 71 residues pruned to eliminate duplicates Z: 129 102.562 2.471 0.887 0.615 0.938 0.734 CB 1.859 129 residues pruned to eliminate duplicates Z: 80 79.280 2.514 0.891 0.584 0.937 0.646 CB 1.847 80 residues pruned to eliminate duplicates Z: 135 91.600 2.427 0.779 0.587 0.940 0.664 CB 1.794 135 residues pruned to eliminate duplicates Z: 69 78.102 2.481 0.965 0.654 0.941 0.765 CB 1.788 69 residues pruned to eliminate duplicates Z: 154 101.366 2.396 0.857 0.586 0.954 0.712 CB 1.777 154 residues pruned to eliminate duplicates Z: 76 76.629 2.479 0.924 0.617 0.947 0.720 CB 1.755 76 residues pruned to eliminate duplicates Z: 66 84.961 2.506 1.061 0.637 0.938 0.631 CB 1.912 66 residues pruned to eliminate duplicates Z: 20 37.624 2.540 0.931 0.529 0.895 0.474 CB 1.911 20 residues pruned to eliminate duplicates Z: 68 84.869 2.474 1.040 0.660 0.955 0.701 CB 1.854 68 residues pruned to eliminate duplicates Z: 134 99.996 2.427 0.865 0.603 0.962 0.677 CB 1.806 134 residues pruned to eliminate duplicates Z: 135 92.001 2.420 0.827 0.590 0.925 0.701 CB 1.783 135 residues pruned to eliminate duplicates Z: 84 73.243 2.462 0.846 0.600 0.904 0.675 CB 1.780 84 residues pruned to eliminate duplicates Z: 80 81.567 2.501 0.971 0.580 0.911 0.684 CB 1.892 80 residues pruned to eliminate duplicates Z: 76 77.562 2.458 1.002 0.619 0.907 0.747 CB 1.794 76 residues pruned to eliminate duplicates Z: 134 97.203 2.421 0.870 0.598 0.940 0.692 CB 1.804 134 residues pruned to eliminate duplicates Z: 131 92.585 2.444 0.764 0.591 0.946 0.731 CB 1.825 131 residues pruned to eliminate duplicates Z: 17 19.048 2.313 0.707 0.445 0.750 0.562 CB 1.703 17 residues pruned to eliminate duplicates Z: 71 53.071 2.362 0.611 0.550 0.900 0.700 CB 1.764 71 residues pruned to eliminate duplicates Z: 68 89.323 2.561 1.040 0.646 0.940 0.761 CB 1.937 68 residues pruned to eliminate duplicates Z: 98 88.476 2.468 0.984 0.607 0.928 0.660 CB 1.786 98 residues pruned to eliminate duplicates Z: 45 39.560 2.369 0.723 0.441 0.841 0.568 CB 1.846 45 residues pruned to eliminate duplicates Z: 65 53.386 2.342 0.642 0.553 0.938 0.734 CB 1.758 65 residues pruned to eliminate duplicates Z: 129 91.807 2.450 0.766 0.587 0.922 0.695 CB 1.872 129 residues pruned to eliminate duplicates Z: 66 47.237 2.352 0.542 0.538 0.877 0.723 CB 1.774 66 residues pruned to eliminate duplicates Z: 130 96.395 2.444 0.838 0.595 0.930 0.682 CB 1.854 130 residues pruned to eliminate duplicates Z: 113 98.414 2.466 0.953 0.599 0.946 0.777 CB 1.856 113 residues pruned to eliminate duplicates Z: 51 43.185 2.330 0.609 0.482 0.920 0.600 CB 1.804 51 residues pruned to eliminate duplicates Z: 73 51.377 2.322 0.641 0.506 0.903 0.611 CB 1.749 73 residues pruned to eliminate duplicates Z: 134 95.518 2.423 0.826 0.602 0.947 0.714 CB 1.793 134 residues pruned to eliminate duplicates Z: 44 46.547 2.464 0.696 0.523 0.907 0.674 CB 1.831 44 residues pruned to eliminate duplicates Z: 34 46.143 2.404 0.735 0.593 0.939 0.758 CB 1.876 34 residues pruned to eliminate duplicates Z: 130 97.209 2.456 0.798 0.606 0.946 0.698 CB 1.852 130 residues pruned to eliminate duplicates Z: 60 54.290 2.378 0.572 0.586 0.949 0.746 CB 1.836 60 residues pruned to eliminate duplicates Z: 62 53.840 2.379 0.598 0.584 0.934 0.770 CB 1.790 62 residues pruned to eliminate duplicates Z: 50 43.901 2.386 0.578 0.506 0.898 0.694 CB 1.843 50 residues pruned to eliminate duplicates Z: 36 44.486 2.477 0.640 0.514 0.943 0.743 CB 1.936 36 residues pruned to eliminate duplicates Z: 65 60.665 2.373 0.727 0.580 0.969 0.734 CB 1.770 65 residues pruned to eliminate duplicates Z: 97 59.297 2.359 0.608 0.516 0.906 0.625 CB 1.733 97 residues pruned to eliminate duplicates Z: 71 54.756 2.296 0.679 0.567 0.929 0.714 CB 1.714 71 residues pruned to eliminate duplicates Z: 106 77.103 2.373 0.702 0.587 0.981 0.676 CB 1.747 106 residues pruned to eliminate duplicates Z: 74 55.696 2.329 0.618 0.536 0.932 0.712 CB 1.793 74 residues pruned to eliminate duplicates Z: 131 94.327 2.437 0.844 0.595 0.915 0.715 CB 1.836 131 residues pruned to eliminate duplicates Z: 40 37.142 2.321 0.701 0.484 0.872 0.564 CB 1.756 40 residues pruned to eliminate duplicates Z: 90 64.076 2.374 0.644 0.537 0.921 0.685 CB 1.821 90 residues pruned to eliminate duplicates Z: 134 95.837 2.427 0.825 0.610 0.947 0.752 CB 1.784 134 residues pruned to eliminate duplicates Z: 34 42.610 2.378 0.762 0.525 0.939 0.636 CB 1.838 34 residues pruned to eliminate duplicates Z: 70 60.156 2.382 0.728 0.547 0.928 0.739 CB 1.811 70 residues pruned to eliminate duplicates Z: 46 36.006 2.232 0.508 0.527 0.911 0.689 CB 1.704 46 residues pruned to eliminate duplicates Z: 37 31.632 2.129 0.535 0.551 0.972 0.750 CB 1.578 37 residues pruned to eliminate duplicates Z: 155 94.136 2.369 0.839 0.599 0.909 0.695 CB 1.743 155 residues pruned to eliminate duplicates Z: 54 49.364 2.428 0.673 0.497 0.906 0.623 CB 1.849 54 residues pruned to eliminate duplicates Z: 129 101.337 2.467 0.896 0.605 0.938 0.750 CB 1.848 129 residues pruned to eliminate duplicates Z: 67 50.457 2.329 0.618 0.554 0.909 0.788 CB 1.720 67 residues pruned to eliminate duplicates Z: 35 31.115 2.202 0.520 0.594 0.912 0.794 CB 1.597 35 residues pruned to eliminate duplicates Z: 33 31.015 2.170 0.562 0.588 0.906 0.656 CB 1.641 33 residues pruned to eliminate duplicates Z: 135 91.030 2.385 0.845 0.613 0.910 0.739 CB 1.763 135 residues pruned to eliminate duplicates Z: 12 14.034 2.179 0.580 0.467 0.818 0.545 CB 1.552 12 residues pruned to eliminate duplicates Z: 33 32.993 2.170 0.545 0.629 0.938 0.750 CB 1.644 33 residues pruned to eliminate duplicates Z: 134 95.358 2.434 0.823 0.591 0.932 0.699 CB 1.832 134 residues pruned to eliminate duplicates Z: 32 36.398 2.201 0.624 0.641 0.968 0.742 CB 1.656 32 residues pruned to eliminate duplicates Z: 71 59.317 2.347 0.783 0.547 0.900 0.686 CB 1.798 71 residues pruned to eliminate duplicates Z: 32 35.467 2.222 0.682 0.628 0.935 0.742 CB 1.615 32 residues pruned to eliminate duplicates Z: 27 24.781 2.009 0.569 0.652 0.923 0.808 CB 1.450 27 residues pruned to eliminate duplicates Z: 47 45.773 2.241 0.708 0.569 0.957 0.674 CB 1.725 47 residues pruned to eliminate duplicates Z: 43 45.432 2.281 0.764 0.586 0.952 0.690 CB 1.684 43 residues pruned to eliminate duplicates Z: 35 35.942 2.183 0.751 0.593 0.941 0.735 CB 1.567 35 residues pruned to eliminate duplicates Z: 23 31.615 2.114 0.763 0.712 0.955 0.682 CB 1.564 23 residues pruned to eliminate duplicates Z: 98 75.726 2.382 0.797 0.564 0.938 0.670 CB 1.800 98 residues pruned to eliminate duplicates Z: 32 35.095 2.135 0.883 0.615 0.903 0.613 CB 1.557 32 residues pruned to eliminate duplicates Z: 34 41.568 2.169 0.909 0.608 0.970 0.667 CB 1.627 34 residues pruned to eliminate duplicates Z: 32 39.046 2.192 0.796 0.630 0.968 0.645 CB 1.629 32 residues pruned to eliminate duplicates Z: 134 102.209 2.431 0.910 0.607 0.955 0.714 CB 1.806 134 residues pruned to eliminate duplicates Z: 45 43.158 2.233 0.817 0.550 0.932 0.614 CB 1.638 45 residues pruned to eliminate duplicates Z: 32 36.903 2.216 0.811 0.609 0.935 0.710 CB 1.591 32 residues pruned to eliminate duplicates Z: 24 31.509 2.066 0.901 0.697 0.957 0.696 CB 1.461 24 residues pruned to eliminate duplicates Z: 32 42.818 2.204 0.884 0.641 1.000 0.710 CB 1.623 32 residues pruned to eliminate duplicates Z: 37 36.727 2.155 0.838 0.546 0.944 0.639 CB 1.564 37 residues pruned to eliminate duplicates Z: 97 79.883 2.436 0.876 0.564 0.917 0.708 CB 1.829 97 residues pruned to eliminate duplicates Z: 72 65.023 2.369 0.885 0.554 0.915 0.676 CB 1.791 72 residues pruned to eliminate duplicates Z: 32 40.219 2.201 0.901 0.623 0.935 0.645 CB 1.643 32 residues pruned to eliminate duplicates Z: 44 38.672 2.069 0.799 0.651 0.930 0.674 CB 1.480 44 residues pruned to eliminate duplicates Z: 139 99.754 2.444 0.929 0.586 0.913 0.717 CB 1.818 139 residues pruned to eliminate duplicates Z: 57 47.982 2.197 0.891 0.600 0.911 0.732 CB 1.541 57 residues pruned to eliminate duplicates Z: 22 29.148 2.126 0.625 0.663 1.000 0.905 CB 1.584 22 residues pruned to eliminate duplicates Z: 38 37.642 2.240 0.826 0.592 0.892 0.703 CB 1.554 38 residues pruned to eliminate duplicates Z: 7 9.465 1.738 0.690 0.387 1.000 0.500 CA 1.483 7 residues pruned to eliminate duplicates Z: 22 27.628 2.124 0.725 0.652 0.952 0.762 CB 1.499 22 residues pruned to eliminate duplicates Z: 21 33.387 2.141 0.794 0.720 0.950 0.800 CA 1.677 21 residues pruned to eliminate duplicates Z: 27 26.802 2.146 0.831 0.576 0.846 0.654 CB 1.469 27 residues pruned to eliminate duplicates Z: 22 32.035 2.111 0.748 0.656 1.000 0.810 CB 1.639 22 residues pruned to eliminate duplicates Z: 21 31.971 2.132 0.825 0.706 0.950 0.850 CB 1.604 21 residues pruned to eliminate duplicates Z: 26 27.051 2.160 0.835 0.552 0.880 0.720 CB 1.475 26 residues pruned to eliminate duplicates Z: 58 44.808 2.163 0.797 0.603 0.930 0.614 CB 1.488 58 residues pruned to eliminate duplicates Z: 23 24.276 2.040 0.750 0.611 0.864 0.773 CB 1.511 23 residues pruned to eliminate duplicates Z: 39 33.051 2.183 0.847 0.552 0.842 0.632 CB 1.501 39 residues pruned to eliminate duplicates Z: 21 27.471 2.164 0.677 0.636 0.950 0.700 CB 1.568 21 residues pruned to eliminate duplicates Z: 22 25.254 2.100 0.644 0.625 0.905 0.619 CB 1.568 22 residues pruned to eliminate duplicates Z: 28 24.707 2.088 0.735 0.546 0.889 0.630 CB 1.411 28 residues pruned to eliminate duplicates Z: 23 27.908 2.064 0.826 0.614 0.909 0.636 CB 1.560 23 residues pruned to eliminate duplicates Z: 27 27.066 2.165 0.678 0.545 0.923 0.731 CB 1.515 27 residues pruned to eliminate duplicates Z: 97 64.271 2.295 0.863 0.545 0.885 0.688 CB 1.657 97 residues pruned to eliminate duplicates Z: 25 21.903 2.111 0.828 0.505 0.875 0.500 CB 1.317 25 residues pruned to eliminate duplicates Z: 27 27.754 2.121 0.806 0.566 0.923 0.769 CB 1.444 27 residues pruned to eliminate duplicates Z: 25 29.199 2.214 0.710 0.609 0.917 0.750 CB 1.549 25 residues pruned to eliminate duplicates Z: 31 27.621 2.192 0.710 0.514 0.900 0.633 CB 1.475 31 residues pruned to eliminate duplicates Z: 38 35.287 2.255 0.720 0.573 0.919 0.730 CB 1.516 38 residues pruned to eliminate duplicates Z: 6 10.891 1.738 1.150 0.471 1.000 0.600 C 1.343 6 residues pruned to eliminate duplicates Z: 13 24.849 2.259 0.896 0.648 0.917 0.750 CB 1.592 13 residues pruned to eliminate duplicates Z: 6 3.467 1.645 0.312 0.259 0.800 0.400 CB 1.182 6 residues pruned to eliminate duplicates Z: 18 19.650 2.024 0.755 0.498 0.882 0.529 CB 1.524 17 residues pruned to eliminate duplicates Z: 6 5.315 1.319 0.780 0.477 1.000 0.800 C 1.036 6 residues pruned to eliminate duplicates Z: 9 27.685 2.321 0.774 0.724 1.000 0.750 CB 1.941 Z: 8 20.328 2.150 0.754 0.855 0.857 0.714 CB 1.754 8 residues pruned to eliminate duplicates Z: 9 14.649 2.395 0.769 0.522 0.750 0.625 CA 1.595 9 residues pruned to eliminate duplicates Z: 98 68.500 2.401 0.777 0.554 0.938 0.660 CB 1.649 98 residues pruned to eliminate duplicates Z: 11 20.178 2.287 0.957 0.547 0.800 0.500 CA 1.701 11 residues pruned to eliminate duplicates Z: 137 85.612 2.345 0.835 0.586 0.919 0.662 CB 1.710 137 residues pruned to eliminate duplicates Z: 36 52.865 2.576 0.962 0.531 0.943 0.571 CB 1.819 36 residues pruned to eliminate duplicates Z: 97 72.553 2.450 0.843 0.528 0.938 0.677 CB 1.702 97 residues pruned to eliminate duplicates Z: 61 59.529 2.424 0.908 0.549 0.933 0.650 CB 1.697 61 residues pruned to eliminate duplicates Z: 46 54.533 2.537 0.941 0.488 0.933 0.644 CB 1.790 55 residues pruned to eliminate duplicates Z: 124 87.958 2.380 0.897 0.597 0.935 0.642 CB 1.713 161 residues pruned to eliminate duplicates Z: 35 44.972 2.505 0.960 0.503 0.941 0.706 CB 1.663 35 residues pruned to eliminate duplicates Z: 47 52.049 2.521 1.002 0.487 0.891 0.630 CB 1.729 47 residues pruned to eliminate duplicates Z: 103 79.518 2.404 0.928 0.536 0.912 0.618 CB 1.799 103 residues pruned to eliminate duplicates Z: 75 62.721 2.460 0.858 0.518 0.919 0.676 CB 1.705 75 residues pruned to eliminate duplicates Z: 80 76.023 2.426 0.964 0.582 0.937 0.684 CB 1.771 80 residues pruned to eliminate duplicates Z: 31 45.172 2.523 0.980 0.494 0.933 0.600 CB 1.779 31 residues pruned to eliminate duplicates Z: 98 73.777 2.447 0.843 0.546 0.918 0.670 CB 1.731 98 residues pruned to eliminate duplicates Z: 45 52.739 2.530 0.955 0.509 0.932 0.591 CB 1.710 45 residues pruned to eliminate duplicates Z: 85 74.307 2.389 0.958 0.601 0.940 0.667 CB 1.674 85 residues pruned to eliminate duplicates Z: 47 50.041 2.524 0.903 0.474 0.913 0.609 CB 1.727 47 residues pruned to eliminate duplicates Z: 97 68.658 2.444 0.713 0.536 0.948 0.688 CB 1.705 97 residues pruned to eliminate duplicates Z: 95 63.679 2.446 0.728 0.510 0.904 0.628 CB 1.701 95 residues pruned to eliminate duplicates Z: 32 48.369 2.527 1.043 0.548 0.871 0.613 CB 1.844 32 residues pruned to eliminate duplicates Z: 96 78.800 2.464 0.901 0.563 0.947 0.684 CB 1.714 96 residues pruned to eliminate duplicates Z: 96 71.883 2.448 0.787 0.540 0.937 0.695 CB 1.731 96 residues pruned to eliminate duplicates Z: 96 69.629 2.427 0.740 0.535 0.958 0.632 CB 1.705 96 residues pruned to eliminate duplicates Z: 129 86.331 2.376 0.798 0.583 0.945 0.656 CB 1.744 129 residues pruned to eliminate duplicates Z: 99 75.646 2.420 0.850 0.549 0.939 0.653 CB 1.733 99 residues pruned to eliminate duplicates Z: 26 29.882 2.420 0.874 0.410 0.880 0.640 CB 1.646 26 residues pruned to eliminate duplicates Z: 45 49.771 2.453 0.877 0.502 0.932 0.636 CB 1.745 45 residues pruned to eliminate duplicates Z: 97 74.412 2.436 0.848 0.535 0.927 0.677 CB 1.759 97 residues pruned to eliminate duplicates Z: 83 54.529 2.355 0.771 0.469 0.878 0.573 CB 1.697 83 residues pruned to eliminate duplicates Z: 13 18.678 2.375 0.704 0.367 0.917 0.667 CB 1.676 13 residues pruned to eliminate duplicates Z: 88 70.453 2.473 0.749 0.543 0.954 0.632 CB 1.754 88 residues pruned to eliminate duplicates Z: 66 48.486 2.353 0.567 0.531 0.938 0.662 CB 1.685 66 residues pruned to eliminate duplicates Z: 66 53.513 2.369 0.706 0.546 0.985 0.662 CB 1.594 66 residues pruned to eliminate duplicates Z: 54 40.923 2.374 0.694 0.472 0.868 0.623 CB 1.657 54 residues pruned to eliminate duplicates Z: 65 56.162 2.409 0.834 0.492 0.922 0.562 CB 1.738 65 residues pruned to eliminate duplicates Z: 99 67.513 2.410 0.758 0.511 0.918 0.684 CB 1.734 99 residues pruned to eliminate duplicates Z: 100 75.112 2.350 0.884 0.590 0.919 0.646 CB 1.703 100 residues pruned to eliminate duplicates Z: 67 60.476 2.420 0.860 0.509 0.924 0.591 CB 1.774 67 residues pruned to eliminate duplicates Z: 65 44.738 2.359 0.543 0.538 0.906 0.625 CB 1.633 65 residues pruned to eliminate duplicates Z: 61 50.799 2.373 0.678 0.546 0.933 0.650 CB 1.688 61 residues pruned to eliminate duplicates Z: 47 39.382 2.307 0.739 0.487 0.870 0.587 CB 1.687 47 residues pruned to eliminate duplicates Z: 87 55.515 2.312 0.688 0.539 0.942 0.709 CB 1.567 87 residues pruned to eliminate duplicates Z: 42 46.081 2.410 0.781 0.555 0.951 0.707 CB 1.670 42 residues pruned to eliminate duplicates Z: 98 66.274 2.393 0.731 0.516 0.938 0.649 CB 1.704 98 residues pruned to eliminate duplicates Z: 85 65.862 2.389 0.750 0.563 0.964 0.690 CB 1.677 85 residues pruned to eliminate duplicates Z: 72 43.076 2.285 0.605 0.474 0.887 0.620 CB 1.613 72 residues pruned to eliminate duplicates Z: 79 56.749 2.359 0.732 0.528 0.923 0.679 CB 1.658 79 residues pruned to eliminate duplicates Z: 31 25.344 2.211 0.597 0.486 0.833 0.667 CB 1.596 31 residues pruned to eliminate duplicates Z: 122 85.887 2.407 0.877 0.589 0.917 0.669 CB 1.729 122 residues pruned to eliminate duplicates Z: 75 51.816 2.319 0.746 0.523 0.919 0.730 CB 1.582 75 residues pruned to eliminate duplicates Z: 80 51.512 2.283 0.716 0.524 0.924 0.658 CB 1.563 80 residues pruned to eliminate duplicates Z: 34 34.582 2.227 0.796 0.517 0.909 0.727 CB 1.629 34 residues pruned to eliminate duplicates Z: 97 74.388 2.453 0.781 0.548 0.938 0.760 CB 1.770 97 residues pruned to eliminate duplicates Z: 61 51.152 2.357 0.939 0.498 0.867 0.667 CB 1.670 61 residues pruned to eliminate duplicates Z: 61 53.688 2.402 0.746 0.552 0.917 0.783 CB 1.714 61 residues pruned to eliminate duplicates Z: 31 30.024 2.221 0.688 0.497 0.933 0.567 CB 1.571 31 residues pruned to eliminate duplicates Z: 66 53.396 2.371 0.698 0.549 0.954 0.769 CB 1.644 66 residues pruned to eliminate duplicates Z: 39 34.664 2.354 0.645 0.509 0.895 0.684 CB 1.609 39 residues pruned to eliminate duplicates Z: 96 74.784 2.459 0.827 0.528 0.926 0.705 CB 1.793 96 residues pruned to eliminate duplicates Z: 153 98.548 2.378 0.944 0.607 0.901 0.632 CB 1.734 153 residues pruned to eliminate duplicates Z: 71 52.932 2.332 0.790 0.528 0.914 0.729 CB 1.612 71 residues pruned to eliminate duplicates Z: 123 85.032 2.410 0.940 0.557 0.910 0.656 CB 1.713 123 residues pruned to eliminate duplicates Z: 34 42.829 2.443 0.682 0.610 0.939 0.758 CB 1.740 34 residues pruned to eliminate duplicates Z: 34 41.192 2.374 0.779 0.576 0.939 0.727 CB 1.680 34 residues pruned to eliminate duplicates Z: 34 40.418 2.445 0.741 0.602 0.909 0.667 CB 1.649 34 residues pruned to eliminate duplicates Z: 96 73.628 2.437 0.826 0.549 0.926 0.716 CB 1.747 96 residues pruned to eliminate duplicates Z: 98 69.981 2.414 0.712 0.554 0.928 0.670 CB 1.759 98 residues pruned to eliminate duplicates Z: 42 48.363 2.400 0.908 0.561 0.927 0.707 CB 1.678 42 residues pruned to eliminate duplicates Z: 86 65.054 2.404 0.846 0.517 0.906 0.682 CB 1.726 86 residues pruned to eliminate duplicates Z: 97 79.530 2.456 0.881 0.552 0.938 0.708 CB 1.781 97 residues pruned to eliminate duplicates Z: 85 74.443 2.458 0.919 0.534 0.940 0.702 CB 1.770 85 residues pruned to eliminate duplicates Z: 11 17.599 2.427 0.210 0.699 1.000 0.600 CB 1.580 11 residues pruned to eliminate duplicates Z: 57 54.523 2.345 0.805 0.566 0.964 0.661 CB 1.674 57 residues pruned to eliminate duplicates Z: 55 49.742 2.335 0.763 0.617 0.889 0.685 CB 1.657 55 residues pruned to eliminate duplicates Z: 66 56.133 2.379 0.749 0.558 0.923 0.708 CB 1.714 66 residues pruned to eliminate duplicates Z: 66 45.527 2.293 0.712 0.497 0.892 0.600 CB 1.616 66 residues pruned to eliminate duplicates Z: 21 41.947 2.483 0.722 0.742 1.000 0.700 CB 1.766 21 residues pruned to eliminate duplicates Z: 65 57.657 2.353 0.827 0.550 0.953 0.594 CB 1.675 65 residues pruned to eliminate duplicates Z: 70 60.350 2.382 0.929 0.540 0.928 0.652 CB 1.639 70 residues pruned to eliminate duplicates Z: 56 53.956 2.335 0.924 0.587 0.891 0.727 CB 1.672 56 residues pruned to eliminate duplicates Z: 66 61.658 2.371 0.915 0.553 0.938 0.662 CB 1.704 66 residues pruned to eliminate duplicates Z: 39 51.574 2.432 1.024 0.554 0.921 0.658 CB 1.752 39 residues pruned to eliminate duplicates Z: 35 50.352 2.354 1.067 0.605 0.941 0.588 CB 1.705 35 residues pruned to eliminate duplicates Z: 39 45.404 2.360 0.943 0.524 0.921 0.553 CB 1.703 39 residues pruned to eliminate duplicates Z: 41 49.822 2.320 1.036 0.580 0.950 0.675 CB 1.626 41 residues pruned to eliminate duplicates Z: 23 43.994 2.402 0.920 0.696 0.955 0.591 CB 1.781 23 residues pruned to eliminate duplicates Z: 116 92.360 2.440 1.032 0.564 0.930 0.696 CB 1.754 116 residues pruned to eliminate duplicates Z: 92 74.222 2.398 0.952 0.540 0.934 0.637 CB 1.711 92 residues pruned to eliminate duplicates Z: 93 68.051 2.351 0.921 0.543 0.913 0.630 CB 1.650 93 residues pruned to eliminate duplicates Z: 26 39.691 2.269 0.791 0.700 0.960 0.600 CB 1.695 26 residues pruned to eliminate duplicates Z: 45 48.676 2.347 0.874 0.635 0.909 0.682 CB 1.617 45 residues pruned to eliminate duplicates Z: 97 68.913 2.368 0.927 0.545 0.906 0.594 CB 1.628 97 residues pruned to eliminate duplicates Z: 85 66.657 2.390 0.889 0.565 0.917 0.690 CB 1.650 85 residues pruned to eliminate duplicates Z: 95 63.516 2.299 0.853 0.536 0.926 0.638 CB 1.604 95 residues pruned to eliminate duplicates Z: 50 50.947 2.300 0.860 0.635 0.939 0.633 CB 1.596 50 residues pruned to eliminate duplicates Z: 40 41.939 2.312 0.885 0.573 0.897 0.615 CB 1.600 40 residues pruned to eliminate duplicates Z: 26 31.254 2.302 0.849 0.595 0.840 0.600 CB 1.597 26 residues pruned to eliminate duplicates Z: 21 38.796 2.336 1.044 0.637 0.950 0.600 CB 1.682 21 residues pruned to eliminate duplicates Z: 27 34.178 2.265 0.982 0.600 0.885 0.538 CB 1.534 27 residues pruned to eliminate duplicates Z: 86 67.054 2.367 0.911 0.558 0.894 0.647 CB 1.700 86 residues pruned to eliminate duplicates Z: 28 31.285 2.235 0.962 0.503 0.889 0.630 CB 1.540 28 residues pruned to eliminate duplicates Z: 49 56.330 2.352 0.980 0.640 0.938 0.625 CB 1.633 49 residues pruned to eliminate duplicates Z: 79 68.231 2.388 0.913 0.603 0.923 0.679 CB 1.660 79 residues pruned to eliminate duplicates Z: 42 46.110 2.302 0.985 0.546 0.927 0.707 CB 1.625 41 residues pruned to eliminate duplicates Z: 12 31.896 2.114 0.967 0.881 1.000 0.818 CA 1.674 12 residues pruned to eliminate duplicates Z: 123 83.212 2.419 0.891 0.541 0.926 0.664 CB 1.709 123 residues pruned to eliminate duplicates Z: 28 30.490 2.287 0.921 0.542 0.852 0.593 CB 1.505 28 residues pruned to eliminate duplicates Z: 48 48.863 2.311 0.908 0.576 0.936 0.447 CB 1.605 48 residues pruned to eliminate duplicates Z: 28 24.305 2.197 0.750 0.449 0.852 0.407 CB 1.505 28 residues pruned to eliminate duplicates Z: 35 27.996 2.189 0.815 0.484 0.794 0.559 CB 1.548 35 residues pruned to eliminate duplicates Z: 24 25.997 2.193 0.816 0.528 0.913 0.565 CB 1.450 24 residues pruned to eliminate duplicates Z: 23 22.624 2.228 0.895 0.420 0.864 0.500 CB 1.437 23 residues pruned to eliminate duplicates Z: 90 63.613 2.364 0.885 0.545 0.899 0.640 CB 1.611 90 residues pruned to eliminate duplicates Z: 121 81.345 2.423 0.919 0.542 0.900 0.617 CB 1.704 121 residues pruned to eliminate duplicates Z: 47 45.708 2.347 0.796 0.607 0.891 0.587 CB 1.621 47 residues pruned to eliminate duplicates Z: 15 28.354 2.437 0.804 0.569 0.929 0.714 CB 1.736 16 residues pruned to eliminate duplicates Z: 7 2.834 1.649 0.589 0.238 0.833 0.500 CB 0.718 7 residues pruned to eliminate duplicates Z: 176 98.984 2.351 0.943 0.583 0.909 0.663 CB 1.664 176 residues pruned to eliminate duplicates Z: 16 24.872 2.328 0.918 0.596 0.800 0.733 CB 1.641 16 residues pruned to eliminate duplicates Z: 42 41.615 2.346 1.036 0.565 0.829 0.707 CB 1.540 42 residues pruned to eliminate duplicates Z: 42 40.866 2.301 0.891 0.572 0.902 0.561 CB 1.517 42 residues pruned to eliminate duplicates Z: 19 20.678 2.267 0.687 0.565 0.778 0.667 CB 1.538 19 residues pruned to eliminate duplicates Z: 23 21.679 2.213 0.863 0.527 0.773 0.591 CB 1.412 23 residues pruned to eliminate duplicates Z: 16 23.387 2.312 0.835 0.597 0.800 0.733 CB 1.622 16 residues pruned to eliminate duplicates Z: 15 23.287 2.300 0.985 0.592 0.786 0.714 CB 1.589 15 residues pruned to eliminate duplicates Z: 13 29.265 2.412 0.992 0.797 0.833 0.833 CB 1.627 13 residues pruned to eliminate duplicates 542 residues left after pruning, divided into chains as follows: A: 61 B: 73 C: 9 D: 6 E: 73 F: 155 G: 165 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 30.70 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.511, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.591, Connect. = 0.769 for dens.mod. cycle 2 = 0.300, Contrast = 0.699, Connect. = 0.804 for dens.mod. cycle 3 = 0.300, Contrast = 0.712, Connect. = 0.809 for dens.mod. cycle 4 = 0.300, Contrast = 0.728, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 0.737, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.747, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.752, Connect. = 0.819 for dens.mod. cycle 8 = 0.300, Contrast = 0.758, Connect. = 0.820 for dens.mod. cycle 9 = 0.300, Contrast = 0.762, Connect. = 0.821 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4206 peaks > 0.5 sigma used to seed fragment search Space for about 886 unique residues taking solvent into account 872 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 99 69.496 2.441 0.734 0.534 0.929 0.673 CB 1.728 B: 10 37.662 2.396 1.074 0.916 1.000 0.889 CB 1.783 C: 10 38.717 2.486 1.332 0.825 1.000 0.889 CB 1.681 D: 24 70.124 2.527 0.954 0.920 1.000 0.913 CA 2.086 E: 11 33.935 2.271 1.312 0.872 1.000 0.900 CB 1.490 11 residues pruned to eliminate duplicates F: 25 63.238 2.455 0.985 0.874 0.958 0.792 CA 2.012 25 residues pruned to eliminate duplicates G: 11 35.660 2.399 1.035 0.854 1.000 0.800 CB 1.705 10 residues pruned to eliminate duplicates H: 8 41.498 2.844 0.858 0.883 1.000 1.000 CA 2.146 8 residues pruned to eliminate duplicates I: 10 27.580 2.343 0.595 0.892 0.889 0.889 CB 1.988 J: 130 86.258 2.374 0.761 0.585 0.946 0.659 CB 1.772 20 residues pruned to eliminate duplicates K: 11 27.504 2.300 1.025 0.781 0.900 0.600 CA 1.620 11 residues pruned to eliminate duplicates L: 23 77.971 2.622 1.025 0.927 1.000 0.818 CA 2.194 24 residues pruned to eliminate duplicates M: 10 34.515 2.380 1.032 0.880 1.000 0.889 CB 1.724 10 residues pruned to eliminate duplicates N: 78 80.228 2.455 0.986 0.585 0.935 0.623 CB 1.848 67 residues pruned to eliminate duplicates O: 99 73.649 2.459 0.764 0.542 0.949 0.694 CB 1.735 99 residues pruned to eliminate duplicates P: 10 30.936 2.247 0.799 0.880 1.000 0.778 CA 1.849 10 residues pruned to eliminate duplicates Q: 23 72.876 2.565 1.040 0.919 1.000 0.864 CB 2.092 23 residues pruned to eliminate duplicates R: 7 6.909 2.181 0.163 0.540 0.667 0.333 CA 1.604 S: 13 28.540 2.387 0.562 0.722 0.917 0.667 CA 1.972 T: 12 41.182 2.741 0.787 0.744 1.000 0.818 CA 2.037 12 residues pruned to eliminate duplicates U: 23 76.619 2.609 1.045 0.931 1.000 0.909 C 2.141 23 residues pruned to eliminate duplicates V: 23 67.589 2.607 0.872 0.907 0.955 0.818 CB 2.199 23 residues pruned to eliminate duplicates W: 11 27.854 2.215 0.544 0.862 1.000 0.900 CA 1.891 11 residues pruned to eliminate duplicates X: 23 56.192 2.736 0.970 0.591 1.000 0.591 CB 2.038 23 residues pruned to eliminate duplicates Y: 10 32.037 2.355 0.908 0.878 0.889 0.778 C 1.941 10 residues pruned to eliminate duplicates Z: 10 23.268 2.468 0.609 0.853 0.778 0.778 CB 1.856 10 residues pruned to eliminate duplicates Z: 7 8.691 2.174 -0.077 0.755 0.833 0.333 N 1.691 7 residues pruned to eliminate duplicates Z: 10 37.388 2.574 1.069 0.833 0.889 0.667 CB 1.975 10 residues pruned to eliminate duplicates Z: 134 85.668 2.393 0.725 0.571 0.947 0.647 CB 1.773 126 residues pruned to eliminate duplicates Z: 11 35.109 2.386 1.239 0.813 0.900 0.700 CB 1.759 11 residues pruned to eliminate duplicates Z: 10 19.902 2.269 0.269 0.883 0.889 0.889 CB 1.873 10 residues pruned to eliminate duplicates Z: 9 36.306 2.425 1.263 0.922 1.000 1.000 CB 1.645 Z: 24 78.341 2.529 1.178 0.916 1.000 0.826 CA 2.094 24 residues pruned to eliminate duplicates Z: 128 88.876 2.402 0.798 0.597 0.945 0.693 CB 1.762 128 residues pruned to eliminate duplicates Z: 35 49.388 2.561 0.875 0.489 0.941 0.529 CB 1.894 35 residues pruned to eliminate duplicates Z: 12 31.061 2.100 0.937 0.878 1.000 0.818 C 1.671 12 residues pruned to eliminate duplicates Z: 38 37.600 2.501 0.691 0.447 0.892 0.568 CB 1.731 38 residues pruned to eliminate duplicates Z: 32 56.198 2.546 1.039 0.557 0.968 0.581 CB 1.900 32 residues pruned to eliminate duplicates Z: 12 29.404 2.556 0.617 0.740 0.909 0.727 CB 1.903 13 residues pruned to eliminate duplicates Z: 14 29.632 2.340 0.610 0.823 0.923 0.846 CB 1.786 14 residues pruned to eliminate duplicates Z: 23 77.689 2.595 1.188 0.917 0.955 0.727 CA 2.157 23 residues pruned to eliminate duplicates Z: 15 19.247 2.161 0.902 0.560 0.714 0.500 CB 1.653 Z: 19 31.451 2.366 0.473 0.857 0.944 0.833 CB 1.660 19 residues pruned to eliminate duplicates Z: 22 62.243 2.677 0.678 0.898 0.952 0.810 CB 2.270 22 residues pruned to eliminate duplicates Z: 23 49.732 2.321 0.711 0.918 1.000 0.818 CB 1.884 Z: 9 46.170 2.663 1.368 0.844 1.000 0.750 CB 1.925 10 residues pruned to eliminate duplicates Z: 22 61.399 2.610 0.759 0.910 0.952 0.905 CB 2.173 22 residues pruned to eliminate duplicates Z: 25 60.687 2.397 0.892 0.901 0.958 0.875 C 2.036 25 residues pruned to eliminate duplicates Z: 13 17.001 2.362 0.759 0.430 0.833 0.583 CB 1.524 13 residues pruned to eliminate duplicates Z: 10 22.887 2.223 0.497 0.841 0.889 0.778 CB 1.924 10 residues pruned to eliminate duplicates Z: 9 15.113 2.155 0.229 0.843 1.000 0.875 CB 1.503 Z: 19 34.170 2.359 0.346 0.884 1.000 0.722 CB 1.832 19 residues pruned to eliminate duplicates Z: 11 19.773 2.475 0.398 0.719 0.800 0.500 CB 1.853 11 residues pruned to eliminate duplicates Z: 10 20.645 2.065 0.689 0.761 1.000 0.889 CB 1.564 Z: 9 19.743 2.134 0.498 0.779 1.000 0.625 CB 1.708 9 residues pruned to eliminate duplicates Z: 23 55.324 2.359 0.970 0.918 0.955 0.773 CB 1.874 23 residues pruned to eliminate duplicates Z: 21 49.909 2.215 0.948 0.956 1.000 0.900 CB 1.777 21 residues pruned to eliminate duplicates Z: 14 34.249 2.387 0.721 0.813 1.000 0.769 CB 1.761 14 residues pruned to eliminate duplicates Z: 12 42.246 2.722 0.788 0.772 1.000 0.727 CA 2.058 12 residues pruned to eliminate duplicates Z: 11 26.306 2.213 1.057 0.846 0.900 0.800 CB 1.508 10 residues pruned to eliminate duplicates Z: 22 56.120 2.448 0.806 0.905 1.000 0.857 CB 1.971 22 residues pruned to eliminate duplicates Z: 22 66.275 2.596 0.916 0.909 0.952 0.762 C 2.167 22 residues pruned to eliminate duplicates Z: 11 29.179 2.274 1.118 0.864 1.000 0.800 CB 1.405 11 residues pruned to eliminate duplicates Z: 90 71.715 2.498 0.786 0.537 0.921 0.742 CB 1.784 91 residues pruned to eliminate duplicates Z: 10 25.958 2.229 0.624 0.850 0.889 0.889 C 1.992 10 residues pruned to eliminate duplicates Z: 22 59.558 2.427 0.982 0.923 1.000 0.952 CB 1.898 22 residues pruned to eliminate duplicates Z: 9 18.775 2.105 0.721 0.811 1.000 1.000 CB 1.397 9 residues pruned to eliminate duplicates Z: 23 58.785 2.326 1.140 0.906 0.955 0.818 CA 1.876 23 residues pruned to eliminate duplicates Z: 21 24.932 2.225 0.928 0.490 0.850 0.550 CB 1.545 15 residues pruned to eliminate duplicates Z: 9 17.173 2.130 0.794 0.774 0.875 0.625 CB 1.426 9 residues pruned to eliminate duplicates Z: 12 29.526 2.461 0.503 0.802 1.000 0.636 CB 1.849 12 residues pruned to eliminate duplicates Z: 22 56.566 2.426 0.792 0.925 1.000 0.952 CB 1.992 22 residues pruned to eliminate duplicates Z: 66 81.218 2.446 1.001 0.655 0.938 0.646 CB 1.898 44 residues pruned to eliminate duplicates Z: 19 33.688 2.401 0.365 0.876 1.000 0.944 CB 1.761 19 residues pruned to eliminate duplicates Z: 22 57.143 2.376 0.927 0.918 1.000 0.810 CB 1.921 22 residues pruned to eliminate duplicates Z: 96 67.931 2.413 0.712 0.552 0.895 0.705 CB 1.792 96 residues pruned to eliminate duplicates Z: 9 15.987 2.101 0.340 0.822 1.000 0.750 CB 1.519 9 residues pruned to eliminate duplicates Z: 17 11.968 1.989 0.503 0.359 0.812 0.438 CB 1.434 9 residues pruned to eliminate duplicates Z: 23 54.670 2.367 0.810 0.905 1.000 0.818 CA 1.936 23 residues pruned to eliminate duplicates Z: 78 64.601 2.368 0.910 0.575 0.883 0.636 CB 1.715 78 residues pruned to eliminate duplicates Z: 13 38.753 2.586 0.564 0.873 1.000 0.833 CA 2.015 13 residues pruned to eliminate duplicates Z: 136 93.319 2.465 0.897 0.561 0.926 0.652 CB 1.747 97 residues pruned to eliminate duplicates Z: 18 36.287 2.449 0.553 0.895 0.941 0.941 CB 1.762 18 residues pruned to eliminate duplicates Z: 24 57.203 2.295 0.999 0.928 1.000 0.870 CB 1.820 24 residues pruned to eliminate duplicates Z: 24 60.758 2.471 0.739 0.904 1.000 0.913 CA 2.100 24 residues pruned to eliminate duplicates Z: 12 32.464 2.229 0.799 0.940 1.000 1.000 CA 1.695 12 residues pruned to eliminate duplicates Z: 8 33.858 2.450 0.938 0.908 1.000 1.000 CA 1.914 8 residues pruned to eliminate duplicates Z: 10 23.642 2.114 0.738 0.874 1.000 0.889 CB 1.561 10 residues pruned to eliminate duplicates Z: 136 89.422 2.468 0.928 0.546 0.874 0.570 CB 1.769 136 residues pruned to eliminate duplicates Z: 22 50.311 2.410 0.643 0.926 1.000 0.905 CB 1.944 22 residues pruned to eliminate duplicates Z: 10 35.833 2.327 1.343 0.853 1.000 0.778 CB 1.620 10 residues pruned to eliminate duplicates Z: 23 79.443 2.600 1.202 0.916 0.955 0.864 C 2.189 23 residues pruned to eliminate duplicates Z: 23 59.620 2.357 1.017 0.938 1.000 0.909 CB 1.859 23 residues pruned to eliminate duplicates Z: 9 27.931 2.365 0.752 0.884 1.000 0.875 CB 1.721 9 residues pruned to eliminate duplicates Z: 10 21.760 2.346 0.486 0.751 0.889 0.889 CB 1.872 10 residues pruned to eliminate duplicates Z: 10 31.995 2.252 0.926 0.884 1.000 0.778 C 1.777 10 residues pruned to eliminate duplicates Z: 10 17.796 2.166 0.424 0.777 0.889 0.667 N 1.694 10 residues pruned to eliminate duplicates Z: 9 24.656 2.284 0.567 0.923 1.000 1.000 CA 1.712 9 residues pruned to eliminate duplicates Z: 23 49.267 2.310 0.742 0.910 1.000 0.818 CB 1.852 23 residues pruned to eliminate duplicates Z: 13 32.696 2.153 0.918 0.924 1.000 0.833 CA 1.606 13 residues pruned to eliminate duplicates Z: 31 38.024 2.500 0.659 0.511 0.867 0.567 CB 1.912 31 residues pruned to eliminate duplicates Z: 23 52.654 2.343 0.859 0.921 0.955 0.909 CB 1.901 23 residues pruned to eliminate duplicates Z: 22 69.020 2.444 1.273 0.926 1.000 0.857 CB 1.901 22 residues pruned to eliminate duplicates Z: 22 91.071 2.694 1.346 0.937 1.000 0.762 C 2.187 22 residues pruned to eliminate duplicates Z: 23 43.471 2.352 0.460 0.907 1.000 0.909 CA 1.919 23 residues pruned to eliminate duplicates Z: 7 21.297 2.268 0.684 0.843 1.000 0.667 CA 1.696 7 residues pruned to eliminate duplicates Z: 19 38.705 2.332 0.612 0.917 0.944 0.667 CB 1.813 19 residues pruned to eliminate duplicates Z: 7 12.763 2.306 0.377 0.751 0.833 0.667 CA 1.574 7 residues pruned to eliminate duplicates Z: 9 44.410 2.569 1.144 0.900 1.000 0.875 CA 2.035 9 residues pruned to eliminate duplicates Z: 11 29.445 2.336 0.806 0.839 0.900 0.700 CB 1.832 11 residues pruned to eliminate duplicates Z: 39 20.032 1.979 0.370 0.491 0.895 0.500 CB 1.352 Z: 43 40.104 2.374 0.661 0.476 0.905 0.690 CB 1.777 10 residues pruned to eliminate duplicates Z: 7 14.576 2.320 0.581 0.702 0.833 0.667 CA 1.620 7 residues pruned to eliminate duplicates Z: 108 79.292 2.385 0.813 0.582 0.916 0.664 CB 1.789 96 residues pruned to eliminate duplicates Z: 10 16.043 1.955 0.949 0.696 1.000 0.556 CB 1.174 10 residues pruned to eliminate duplicates Z: 24 59.798 2.489 0.817 0.927 0.957 0.826 CB 2.020 24 residues pruned to eliminate duplicates Z: 9 16.071 2.056 0.672 0.799 0.875 0.625 CB 1.454 9 residues pruned to eliminate duplicates Z: 22 56.820 2.433 0.998 0.926 0.952 0.905 CB 1.877 22 residues pruned to eliminate duplicates Z: 18 40.517 2.498 0.626 0.888 0.941 0.941 CB 1.851 18 residues pruned to eliminate duplicates Z: 26 20.542 2.227 0.338 0.483 0.880 0.680 CB 1.593 16 residues pruned to eliminate duplicates Z: 91 71.265 2.349 0.807 0.615 0.911 0.733 CB 1.741 87 residues pruned to eliminate duplicates Z: 24 48.881 2.258 1.026 0.885 0.957 0.739 CB 1.682 24 residues pruned to eliminate duplicates Z: 13 34.350 2.176 0.892 0.928 1.000 0.917 CA 1.687 13 residues pruned to eliminate duplicates Z: 19 21.884 2.315 0.894 0.496 0.833 0.611 CB 1.418 10 residues pruned to eliminate duplicates Z: 23 54.223 2.348 0.842 0.914 1.000 0.909 CA 1.890 23 residues pruned to eliminate duplicates Z: 97 66.473 2.393 0.649 0.550 0.938 0.719 CB 1.748 97 residues pruned to eliminate duplicates Z: 19 25.525 2.300 0.835 0.460 0.889 0.611 CB 1.669 19 residues pruned to eliminate duplicates Z: 6 8.493 2.289 -0.072 0.810 0.800 0.600 CA 1.707 6 residues pruned to eliminate duplicates Z: 65 77.446 2.426 0.964 0.664 0.922 0.625 CB 1.893 73 residues pruned to eliminate duplicates Z: 23 51.275 2.353 0.781 0.918 1.000 0.864 CB 1.840 23 residues pruned to eliminate duplicates Z: 79 73.050 2.453 0.944 0.530 0.936 0.628 CB 1.799 79 residues pruned to eliminate duplicates Z: 13 30.671 2.317 0.836 0.766 0.917 0.750 CB 1.794 13 residues pruned to eliminate duplicates Z: 31 38.927 2.056 1.001 0.771 0.867 0.700 CB 1.568 Z: 6 8.654 2.026 0.071 0.667 1.000 0.600 CA 1.528 6 residues pruned to eliminate duplicates Z: 8 20.149 2.021 0.750 0.853 1.000 0.571 C 1.592 Z: 11 35.527 2.757 0.496 0.755 1.000 0.900 CB 2.169 11 residues pruned to eliminate duplicates Z: 59 53.525 2.311 0.831 0.580 0.897 0.672 CB 1.716 59 residues pruned to eliminate duplicates Z: 20 40.176 2.338 0.603 0.883 1.000 0.632 CB 1.779 20 residues pruned to eliminate duplicates Z: 22 54.573 2.439 0.915 0.926 0.952 0.952 CB 1.878 22 residues pruned to eliminate duplicates Z: 27 22.429 2.011 0.582 0.553 0.923 0.615 CB 1.423 23 residues pruned to eliminate duplicates Z: 18 33.336 2.171 0.509 0.917 1.000 0.882 CB 1.742 18 residues pruned to eliminate duplicates Z: 85 67.469 2.313 0.911 0.593 0.917 0.655 CB 1.663 85 residues pruned to eliminate duplicates Z: 10 17.627 2.322 0.275 0.794 0.778 0.556 CA 1.971 10 residues pruned to eliminate duplicates Z: 23 60.708 2.358 1.026 0.907 1.000 0.909 CA 1.927 23 residues pruned to eliminate duplicates Z: 21 54.907 2.459 0.857 0.930 1.000 0.900 CB 1.880 21 residues pruned to eliminate duplicates Z: 18 34.247 2.170 0.619 0.899 1.000 0.882 CB 1.690 18 residues pruned to eliminate duplicates Z: 10 16.757 2.203 0.484 0.779 0.778 0.556 CB 1.717 10 residues pruned to eliminate duplicates Z: 16 26.443 2.457 0.844 0.603 0.800 0.733 CB 1.708 16 residues pruned to eliminate duplicates Z: 10 27.966 2.524 0.936 0.726 0.889 0.778 CA 1.751 10 residues pruned to eliminate duplicates Z: 10 18.815 1.920 0.778 0.822 0.889 0.667 CA 1.562 10 residues pruned to eliminate duplicates Z: 9 24.741 2.312 0.868 0.887 1.000 0.750 CB 1.460 9 residues pruned to eliminate duplicates Z: 60 59.863 2.411 0.806 0.651 0.881 0.678 CB 1.764 60 residues pruned to eliminate duplicates Z: 25 41.432 2.415 0.926 0.640 0.958 0.792 CB 1.664 25 residues pruned to eliminate duplicates Z: 9 20.591 2.229 0.704 0.886 0.875 0.750 CB 1.580 9 residues pruned to eliminate duplicates Z: 22 59.616 2.436 0.952 0.931 1.000 0.762 CB 1.911 22 residues pruned to eliminate duplicates Z: 20 28.822 2.304 0.378 0.881 0.947 0.842 CB 1.591 20 residues pruned to eliminate duplicates Z: 9 32.062 2.449 1.325 0.804 0.875 0.875 C 1.745 9 residues pruned to eliminate duplicates Z: 22 51.788 2.421 0.743 0.919 1.000 0.857 CB 1.887 22 residues pruned to eliminate duplicates Z: 7 12.888 2.008 0.410 0.697 1.000 0.833 CA 1.551 7 residues pruned to eliminate duplicates Z: 8 20.895 2.347 0.334 0.888 1.000 1.000 CB 1.818 8 residues pruned to eliminate duplicates Z: 76 61.259 2.350 0.861 0.605 0.907 0.640 CB 1.614 76 residues pruned to eliminate duplicates Z: 19 28.084 2.065 0.559 0.895 0.944 0.833 CB 1.561 19 residues pruned to eliminate duplicates Z: 23 23.325 2.267 0.935 0.293 0.864 0.455 CB 1.655 23 residues pruned to eliminate duplicates Z: 22 36.129 2.337 0.443 0.874 0.905 0.762 CB 1.880 22 residues pruned to eliminate duplicates Z: 25 31.683 2.264 0.623 0.589 0.958 0.750 CB 1.686 25 residues pruned to eliminate duplicates Z: 31 46.345 2.072 1.021 0.826 0.967 0.767 CB 1.577 31 residues pruned to eliminate duplicates Z: 9 31.464 2.248 1.024 0.909 1.000 0.875 CB 1.735 9 residues pruned to eliminate duplicates Z: 6 8.090 2.076 0.466 0.695 0.600 0.400 CB 1.659 6 residues pruned to eliminate duplicates Z: 19 40.998 2.303 0.673 0.895 1.000 0.722 CB 1.798 19 residues pruned to eliminate duplicates Z: 13 36.241 2.207 0.944 0.927 1.000 0.917 CA 1.710 13 residues pruned to eliminate duplicates Z: 10 20.072 2.116 0.634 0.823 0.889 0.667 CB 1.646 10 residues pruned to eliminate duplicates Z: 19 35.069 2.403 0.481 0.858 0.944 0.833 CB 1.811 19 residues pruned to eliminate duplicates Z: 20 52.868 2.448 0.931 0.918 0.947 0.895 CB 1.910 20 residues pruned to eliminate duplicates Z: 32 30.648 2.261 0.514 0.614 0.903 0.774 CB 1.598 32 residues pruned to eliminate duplicates Z: 14 26.948 2.255 1.019 0.610 0.923 0.615 CB 1.602 Z: 17 28.308 2.255 0.293 0.908 1.000 0.875 CB 1.724 17 residues pruned to eliminate duplicates Z: 22 52.572 2.398 0.769 0.915 1.000 0.810 CB 1.912 22 residues pruned to eliminate duplicates Z: 25 38.894 2.376 0.922 0.639 0.917 0.750 CB 1.665 25 residues pruned to eliminate duplicates Z: 22 89.634 2.668 1.384 0.928 1.000 0.810 C 2.154 22 residues pruned to eliminate duplicates Z: 24 41.883 2.250 0.638 0.922 0.957 0.870 CB 1.742 24 residues pruned to eliminate duplicates Z: 103 62.175 2.242 0.718 0.556 0.941 0.647 CB 1.607 95 residues pruned to eliminate duplicates Z: 19 20.934 2.191 0.809 0.519 0.778 0.556 CB 1.570 19 residues pruned to eliminate duplicates Z: 96 66.449 2.383 0.830 0.557 0.874 0.737 CB 1.693 96 residues pruned to eliminate duplicates Z: 54 46.455 2.290 0.696 0.565 0.962 0.623 CB 1.603 53 residues pruned to eliminate duplicates Z: 19 22.627 2.332 0.870 0.405 0.833 0.444 CB 1.623 19 residues pruned to eliminate duplicates Z: 117 61.211 2.277 0.696 0.562 0.871 0.638 CB 1.591 26 residues pruned to eliminate duplicates Z: 21 28.966 1.986 0.583 0.895 0.950 0.800 CB 1.554 21 residues pruned to eliminate duplicates Z: 18 32.305 2.169 0.545 0.909 1.000 0.941 CB 1.659 18 residues pruned to eliminate duplicates Z: 27 30.665 2.091 0.767 0.616 0.923 0.731 CB 1.580 28 residues pruned to eliminate duplicates Z: 23 44.739 2.333 0.583 0.924 1.000 0.864 CB 1.814 23 residues pruned to eliminate duplicates Z: 21 52.515 2.612 0.613 0.901 0.900 0.800 C 2.210 21 residues pruned to eliminate duplicates Z: 9 21.202 2.543 0.266 0.830 0.875 0.750 CA 2.001 9 residues pruned to eliminate duplicates Z: 46 62.498 2.348 0.800 0.694 1.000 0.756 CB 1.846 46 residues pruned to eliminate duplicates Z: 23 52.787 2.344 0.879 0.922 1.000 0.818 CB 1.796 23 residues pruned to eliminate duplicates Z: 10 38.000 2.381 1.303 0.873 1.000 0.778 CB 1.683 10 residues pruned to eliminate duplicates Z: 78 57.500 2.393 0.611 0.537 0.896 0.675 CB 1.829 78 residues pruned to eliminate duplicates Z: 8 12.938 1.989 0.487 0.805 0.857 0.714 CB 1.477 8 residues pruned to eliminate duplicates Z: 42 49.756 2.385 0.941 0.590 0.927 0.732 CB 1.661 42 residues pruned to eliminate duplicates Z: 26 35.552 2.180 0.875 0.654 0.960 0.760 CB 1.570 26 residues pruned to eliminate duplicates Z: 15 15.275 2.048 0.687 0.501 0.857 0.571 CB 1.377 15 residues pruned to eliminate duplicates Z: 22 64.059 2.416 1.208 0.928 1.000 0.857 CB 1.835 22 residues pruned to eliminate duplicates Z: 23 42.503 2.327 0.556 0.922 0.955 0.909 CB 1.844 23 residues pruned to eliminate duplicates Z: 8 24.212 2.444 0.572 0.877 1.000 0.857 CB 1.730 8 residues pruned to eliminate duplicates Z: 20 34.072 2.055 0.744 0.916 1.000 1.000 CB 1.541 20 residues pruned to eliminate duplicates Z: 104 89.866 2.494 0.992 0.551 0.932 0.689 CB 1.820 104 residues pruned to eliminate duplicates Z: 20 35.674 2.317 0.511 0.876 1.000 0.789 CB 1.699 20 residues pruned to eliminate duplicates Z: 9 30.947 2.490 0.803 0.855 0.875 0.500 C 2.056 9 residues pruned to eliminate duplicates Z: 9 14.678 1.729 0.649 0.864 1.000 0.625 CA 1.334 9 residues pruned to eliminate duplicates Z: 19 33.808 2.274 0.560 0.910 1.000 0.889 CB 1.593 19 residues pruned to eliminate duplicates Z: 20 30.668 2.231 0.508 0.895 1.000 0.842 CB 1.499 20 residues pruned to eliminate duplicates Z: 17 25.550 2.440 0.907 0.596 0.812 0.688 CB 1.541 17 residues pruned to eliminate duplicates Z: 19 39.239 2.398 0.598 0.877 1.000 0.611 CB 1.754 19 residues pruned to eliminate duplicates Z: 61 46.962 2.256 0.733 0.509 0.950 0.617 CB 1.617 39 residues pruned to eliminate duplicates Z: 46 41.987 2.283 0.540 0.592 0.911 0.733 CB 1.789 46 residues pruned to eliminate duplicates Z: 79 62.811 2.355 0.799 0.610 0.910 0.654 CB 1.661 9 residues pruned to eliminate duplicates Z: 13 27.996 2.150 0.751 0.921 1.000 0.833 CA 1.511 13 residues pruned to eliminate duplicates Z: 8 20.428 2.208 0.553 0.841 1.000 0.714 CA 1.678 8 residues pruned to eliminate duplicates Z: 94 47.895 2.185 0.685 0.541 0.860 0.656 CB 1.507 94 residues pruned to eliminate duplicates Z: 11 21.191 1.979 0.529 0.919 1.000 1.000 CB 1.561 11 residues pruned to eliminate duplicates Z: 133 81.811 2.373 0.685 0.594 0.947 0.712 CB 1.718 133 residues pruned to eliminate duplicates Z: 12 41.961 2.338 1.116 0.918 1.000 1.000 CA 1.803 12 residues pruned to eliminate duplicates Z: 22 88.003 2.600 1.555 0.916 0.952 0.810 C 2.144 36 residues pruned to eliminate duplicates Z: 22 54.740 2.438 0.935 0.914 0.952 0.857 CB 1.880 22 residues pruned to eliminate duplicates Z: 9 20.107 2.106 0.677 0.892 0.875 0.875 CB 1.652 9 residues pruned to eliminate duplicates Z: 24 58.545 2.308 0.986 0.932 1.000 0.957 CB 1.861 24 residues pruned to eliminate duplicates Z: 8 18.270 2.018 0.454 0.901 1.000 0.714 CB 1.681 8 residues pruned to eliminate duplicates Z: 12 37.233 2.317 0.869 0.942 1.000 1.000 CA 1.797 12 residues pruned to eliminate duplicates Z: 30 49.419 2.513 0.914 0.531 0.966 0.621 CB 1.917 30 residues pruned to eliminate duplicates Z: 7 26.151 2.352 1.061 0.741 1.000 0.833 CB 1.774 7 residues pruned to eliminate duplicates Z: 38 35.514 2.302 0.606 0.556 0.892 0.730 CB 1.677 38 residues pruned to eliminate duplicates Z: 13 16.263 1.957 0.798 0.698 0.750 0.333 CB 1.486 13 residues pruned to eliminate duplicates Z: 78 67.331 2.405 0.839 0.589 0.922 0.649 CB 1.728 78 residues pruned to eliminate duplicates Z: 36 49.534 2.427 0.963 0.502 0.943 0.686 CB 1.860 36 residues pruned to eliminate duplicates Z: 21 51.021 2.443 0.798 0.933 0.950 0.950 CB 1.908 21 residues pruned to eliminate duplicates Z: 13 28.807 2.124 0.805 0.833 1.000 0.667 CA 1.627 13 residues pruned to eliminate duplicates Z: 23 75.206 2.506 1.439 0.888 0.955 0.636 C 1.980 23 residues pruned to eliminate duplicates Z: 36 33.185 2.226 0.670 0.540 0.943 0.686 CB 1.538 36 residues pruned to eliminate duplicates Z: 22 60.423 2.433 0.979 0.895 1.000 0.857 CB 1.964 22 residues pruned to eliminate duplicates Z: 23 28.954 1.942 0.609 0.914 1.000 0.864 CB 1.397 23 residues pruned to eliminate duplicates Z: 90 80.632 2.435 0.941 0.589 0.944 0.742 CB 1.760 90 residues pruned to eliminate duplicates Z: 18 32.853 2.158 0.512 0.928 1.000 1.000 CB 1.709 18 residues pruned to eliminate duplicates Z: 9 15.129 1.811 0.608 0.849 1.000 0.500 C 1.362 9 residues pruned to eliminate duplicates Z: 19 15.912 1.807 0.321 0.878 1.000 0.833 CB 1.140 11 residues pruned to eliminate duplicates Z: 25 31.820 1.871 0.729 0.905 1.000 0.917 CB 1.429 25 residues pruned to eliminate duplicates Z: 10 13.917 1.962 0.426 0.756 0.889 0.778 CB 1.485 10 residues pruned to eliminate duplicates Z: 13 23.152 1.860 0.724 0.913 1.000 0.917 CA 1.475 18 residues pruned to eliminate duplicates Z: 7 7.060 2.034 0.949 0.380 0.667 0.500 CB 1.239 7 residues pruned to eliminate duplicates Z: 35 34.913 2.266 0.605 0.537 0.941 0.706 CB 1.687 35 residues pruned to eliminate duplicates Z: 29 34.828 2.236 1.022 0.599 0.929 0.536 CB 1.427 29 residues pruned to eliminate duplicates Z: 19 28.571 2.044 0.473 0.940 1.000 1.000 CB 1.554 19 residues pruned to eliminate duplicates Z: 22 55.998 2.423 0.908 0.927 1.000 0.905 CB 1.852 22 residues pruned to eliminate duplicates Z: 8 16.487 1.960 0.519 0.843 1.000 0.714 CB 1.558 8 residues pruned to eliminate duplicates Z: 22 51.427 2.410 0.722 0.907 1.000 0.762 CB 1.923 22 residues pruned to eliminate duplicates Z: 35 42.563 2.585 0.646 0.494 0.912 0.647 CB 1.894 35 residues pruned to eliminate duplicates Z: 13 21.065 1.895 0.647 0.938 1.000 1.000 CA 1.355 13 residues pruned to eliminate duplicates Z: 10 24.781 2.177 0.744 0.834 1.000 0.778 C 1.631 10 residues pruned to eliminate duplicates Z: 8 30.125 2.352 0.796 0.911 1.000 1.000 CA 1.910 8 residues pruned to eliminate duplicates Z: 11 20.446 2.045 0.412 0.926 1.000 0.900 CB 1.571 11 residues pruned to eliminate duplicates Z: 25 27.905 2.442 0.681 0.408 0.875 0.583 CB 1.747 25 residues pruned to eliminate duplicates Z: 10 26.629 2.224 0.427 0.898 1.000 0.889 N 2.001 10 residues pruned to eliminate duplicates Z: 22 46.282 2.399 0.638 0.929 0.952 0.857 CB 1.888 22 residues pruned to eliminate duplicates Z: 18 29.452 2.151 0.429 0.902 0.941 0.941 CB 1.761 18 residues pruned to eliminate duplicates Z: 66 51.178 2.203 0.747 0.560 0.923 0.677 CB 1.685 66 residues pruned to eliminate duplicates Z: 38 31.221 2.127 0.847 0.538 0.838 0.649 CB 1.503 41 residues pruned to eliminate duplicates Z: 6 9.754 2.135 0.183 0.768 1.000 0.600 CB 1.363 6 residues pruned to eliminate duplicates Z: 10 18.512 1.949 0.547 0.897 1.000 1.000 CB 1.465 10 residues pruned to eliminate duplicates Z: 63 62.694 2.381 0.845 0.635 0.919 0.742 CB 1.737 63 residues pruned to eliminate duplicates Z: 8 29.424 2.319 0.823 0.904 1.000 0.714 CB 1.874 8 residues pruned to eliminate duplicates Z: 68 45.134 2.280 0.680 0.488 0.881 0.582 CB 1.655 67 residues pruned to eliminate duplicates Z: 10 18.422 2.269 0.428 0.873 0.889 0.667 CB 1.553 10 residues pruned to eliminate duplicates Z: 22 29.799 2.181 0.992 0.513 0.952 0.714 CB 1.552 22 residues pruned to eliminate duplicates Z: 13 21.379 1.903 0.608 0.937 1.000 1.000 CA 1.403 13 residues pruned to eliminate duplicates Z: 6 4.324 1.526 0.119 0.746 0.800 0.800 CA 1.136 6 residues pruned to eliminate duplicates Z: 33 39.008 2.315 0.701 0.546 0.938 0.656 CB 1.787 33 residues pruned to eliminate duplicates Z: 75 67.870 2.468 0.875 0.534 0.932 0.703 CB 1.769 75 residues pruned to eliminate duplicates Z: 23 48.147 2.349 0.699 0.917 1.000 0.864 CB 1.816 23 residues pruned to eliminate duplicates Z: 21 23.264 1.790 0.489 0.930 1.000 1.000 CA 1.365 21 residues pruned to eliminate duplicates Z: 24 30.698 1.887 0.833 0.904 1.000 0.957 CB 1.318 23 residues pruned to eliminate duplicates Z: 96 52.897 2.180 0.728 0.533 0.905 0.632 CB 1.541 95 residues pruned to eliminate duplicates Z: 11 15.843 1.742 0.597 0.794 1.000 0.600 CB 1.392 11 residues pruned to eliminate duplicates Z: 125 84.478 2.303 0.856 0.607 0.952 0.677 CB 1.685 125 residues pruned to eliminate duplicates Z: 10 20.220 2.044 0.524 0.916 1.000 1.000 CB 1.528 10 residues pruned to eliminate duplicates Z: 23 57.570 2.323 1.111 0.892 0.955 0.818 CA 1.884 23 residues pruned to eliminate duplicates Z: 18 32.271 2.137 0.482 0.924 1.000 0.882 CB 1.737 18 residues pruned to eliminate duplicates Z: 11 24.291 2.080 0.722 0.917 1.000 0.900 CB 1.513 11 residues pruned to eliminate duplicates Z: 10 30.262 2.290 0.861 0.862 1.000 0.778 CB 1.738 10 residues pruned to eliminate duplicates Z: 7 7.524 2.202 -0.094 0.790 0.833 0.667 CA 1.432 7 residues pruned to eliminate duplicates Z: 76 67.070 2.385 0.808 0.624 0.933 0.640 CB 1.711 76 residues pruned to eliminate duplicates Z: 60 59.840 2.438 0.907 0.531 0.932 0.644 CB 1.744 60 residues pruned to eliminate duplicates Z: 22 33.662 2.031 0.662 0.913 1.000 0.857 CB 1.539 22 residues pruned to eliminate duplicates Z: 22 42.278 2.033 1.050 0.912 1.000 0.905 CB 1.567 22 residues pruned to eliminate duplicates Z: 19 13.234 1.769 0.282 0.846 0.944 0.833 CB 1.082 19 residues pruned to eliminate duplicates Z: 19 16.291 2.004 0.909 0.434 0.833 0.500 CB 1.290 19 residues pruned to eliminate duplicates Z: 19 22.427 2.227 0.901 0.542 0.833 0.667 CB 1.438 19 residues pruned to eliminate duplicates Z: 23 50.266 2.311 0.921 0.905 1.000 0.773 CB 1.718 23 residues pruned to eliminate duplicates Z: 11 15.662 2.155 0.555 0.617 0.900 0.700 CB 1.471 11 residues pruned to eliminate duplicates Z: 8 15.714 1.809 0.902 0.803 1.000 1.000 CB 1.325 Z: 66 69.204 2.353 0.974 0.646 0.877 0.692 CB 1.839 141 residues pruned to eliminate duplicates Z: 38 56.639 2.254 0.987 0.785 0.973 0.757 CB 1.663 38 residues pruned to eliminate duplicates Z: 19 36.523 2.067 0.827 0.907 1.000 0.944 CB 1.620 19 residues pruned to eliminate duplicates Z: 50 58.986 2.303 0.848 0.673 0.939 0.755 CB 1.798 46 residues pruned to eliminate duplicates Z: 62 56.394 2.387 0.609 0.558 0.967 0.721 CB 1.837 62 residues pruned to eliminate duplicates Z: 16 19.786 2.275 0.711 0.583 0.800 0.733 CB 1.515 16 residues pruned to eliminate duplicates Z: 12 37.019 2.263 0.906 0.929 1.000 0.727 CA 1.811 12 residues pruned to eliminate duplicates Z: 23 73.747 2.575 1.185 0.894 0.955 0.909 CA 2.100 23 residues pruned to eliminate duplicates Z: 97 58.040 2.349 0.614 0.470 0.948 0.583 CB 1.698 97 residues pruned to eliminate duplicates Z: 23 60.160 2.365 1.007 0.917 1.000 0.773 CA 1.907 23 residues pruned to eliminate duplicates Z: 33 47.204 2.536 0.858 0.550 0.875 0.500 CB 1.926 33 residues pruned to eliminate duplicates Z: 23 31.618 1.948 0.759 0.902 0.955 0.864 CB 1.470 23 residues pruned to eliminate duplicates Z: 9 27.855 2.626 0.309 0.909 1.000 1.000 CB 2.033 9 residues pruned to eliminate duplicates Z: 17 25.673 2.312 0.875 0.608 0.875 0.750 CB 1.527 17 residues pruned to eliminate duplicates Z: 65 45.345 2.368 0.482 0.516 0.906 0.719 CB 1.754 65 residues pruned to eliminate duplicates Z: 13 16.829 1.953 0.667 0.685 1.000 0.667 CB 1.259 13 residues pruned to eliminate duplicates Z: 23 87.174 2.598 1.347 0.908 1.000 0.727 C 2.165 23 residues pruned to eliminate duplicates Z: 18 16.883 1.889 0.309 0.894 1.000 0.941 CB 1.188 Z: 14 24.313 1.882 0.775 0.915 1.000 0.923 CA 1.427 14 residues pruned to eliminate duplicates Z: 9 21.598 2.316 0.362 0.874 1.000 0.875 CA 1.763 9 residues pruned to eliminate duplicates Z: 9 15.751 2.248 0.651 0.613 0.875 0.750 CB 1.541 9 residues pruned to eliminate duplicates Z: 11 19.178 2.029 0.470 0.916 1.000 1.000 CB 1.437 11 residues pruned to eliminate duplicates Z: 30 32.897 2.184 0.896 0.569 0.897 0.690 CB 1.539 30 residues pruned to eliminate duplicates Z: 22 38.886 2.018 0.943 0.932 1.000 0.952 CB 1.511 23 residues pruned to eliminate duplicates Z: 19 32.516 2.045 0.763 0.922 1.000 0.778 CB 1.495 19 residues pruned to eliminate duplicates Z: 13 19.803 1.850 0.599 0.924 1.000 0.917 CA 1.357 13 residues pruned to eliminate duplicates Z: 14 20.250 1.792 0.604 0.903 1.000 0.846 CA 1.392 14 residues pruned to eliminate duplicates Z: 23 58.868 2.360 0.975 0.936 1.000 0.864 CB 1.875 23 residues pruned to eliminate duplicates Z: 38 23.236 2.044 0.475 0.590 0.919 0.757 CB 1.265 18 residues pruned to eliminate duplicates Z: 65 42.158 2.213 0.538 0.550 0.938 0.688 CB 1.573 32 residues pruned to eliminate duplicates Z: 8 11.265 1.959 0.405 0.822 0.857 0.714 CB 1.365 8 residues pruned to eliminate duplicates Z: 54 43.344 2.299 0.652 0.526 0.943 0.604 CB 1.620 54 residues pruned to eliminate duplicates Z: 60 75.656 2.438 0.929 0.673 0.932 0.695 CB 1.916 66 residues pruned to eliminate duplicates Z: 12 35.717 2.619 0.656 0.781 1.000 0.909 CA 1.937 12 residues pruned to eliminate duplicates Z: 20 27.299 2.127 0.698 0.702 0.895 0.895 CB 1.613 20 residues pruned to eliminate duplicates Z: 8 18.319 2.257 0.269 0.890 1.000 1.000 C 1.740 Z: 20 27.502 2.076 0.379 0.820 1.000 0.789 CB 1.670 20 residues pruned to eliminate duplicates Z: 25 36.696 2.023 0.773 0.832 0.958 0.875 CB 1.636 25 residues pruned to eliminate duplicates Z: 37 42.996 2.048 0.850 0.779 0.972 0.750 CB 1.521 37 residues pruned to eliminate duplicates Z: 27 28.224 2.115 0.781 0.614 0.923 0.808 CB 1.429 27 residues pruned to eliminate duplicates Z: 46 32.401 2.228 0.450 0.542 0.911 0.778 CB 1.575 46 residues pruned to eliminate duplicates Z: 44 63.773 2.423 0.923 0.675 0.907 0.698 CB 1.958 44 residues pruned to eliminate duplicates Z: 9 18.235 2.129 0.442 0.868 1.000 1.000 CB 1.535 9 residues pruned to eliminate duplicates Z: 18 13.935 1.809 0.713 0.539 0.882 0.588 CB 1.191 8 residues pruned to eliminate duplicates Z: 19 47.968 2.388 0.717 0.944 1.000 1.000 CA 1.909 19 residues pruned to eliminate duplicates Z: 48 53.554 2.275 0.901 0.643 0.936 0.702 CB 1.689 48 residues pruned to eliminate duplicates Z: 16 14.891 1.897 0.636 0.552 0.933 0.533 CB 1.261 18 residues pruned to eliminate duplicates Z: 11 19.209 2.176 0.406 0.759 1.000 0.600 CB 1.577 8 residues pruned to eliminate duplicates Z: 8 15.346 2.101 1.032 0.628 0.857 0.714 CA 1.406 8 residues pruned to eliminate duplicates Z: 8 21.572 2.150 0.744 0.863 1.000 0.857 CA 1.596 8 residues pruned to eliminate duplicates Z: 58 50.710 2.393 0.810 0.491 0.895 0.667 CB 1.749 58 residues pruned to eliminate duplicates Z: 18 40.904 2.383 0.733 0.922 1.000 0.765 CB 1.690 18 residues pruned to eliminate duplicates Z: 10 14.432 2.150 0.550 0.475 0.889 0.556 CA 1.666 10 residues pruned to eliminate duplicates Z: 73 51.734 2.365 0.765 0.459 0.889 0.639 CB 1.712 73 residues pruned to eliminate duplicates Z: 22 38.407 2.045 0.827 0.902 1.000 0.857 CB 1.600 22 residues pruned to eliminate duplicates Z: 14 20.736 1.867 0.565 0.916 1.000 0.769 CA 1.390 14 residues pruned to eliminate duplicates Z: 36 43.121 2.421 0.768 0.497 0.914 0.629 CB 1.867 36 residues pruned to eliminate duplicates Z: 9 27.650 2.651 0.286 0.886 1.000 0.875 CA 2.070 9 residues pruned to eliminate duplicates Z: 8 15.383 1.995 0.670 0.818 0.857 0.714 CB 1.544 8 residues pruned to eliminate duplicates Z: 19 17.988 2.115 0.645 0.577 0.833 0.611 CB 1.358 19 residues pruned to eliminate duplicates Z: 18 15.848 1.892 0.269 0.875 1.000 0.941 CB 1.164 18 residues pruned to eliminate duplicates Z: 13 24.228 1.903 0.763 0.903 1.000 0.750 CA 1.485 13 residues pruned to eliminate duplicates Z: 21 62.945 2.449 0.925 0.946 1.000 0.950 CB 2.066 21 residues pruned to eliminate duplicates Z: 22 67.195 2.449 1.201 0.931 1.000 0.857 CB 1.902 22 residues pruned to eliminate duplicates Z: 30 45.416 2.459 0.876 0.562 0.862 0.621 CB 1.997 30 residues pruned to eliminate duplicates Z: 10 21.830 2.068 1.117 0.835 0.889 0.778 CB 1.400 10 residues pruned to eliminate duplicates Z: 9 19.219 2.247 0.517 0.840 0.875 0.625 CB 1.701 9 residues pruned to eliminate duplicates Z: 31 44.281 2.086 0.886 0.812 0.967 0.767 CB 1.620 31 residues pruned to eliminate duplicates Z: 13 29.055 2.241 0.870 0.919 0.917 0.750 CB 1.538 13 residues pruned to eliminate duplicates Z: 13 13.493 1.974 0.599 0.420 0.917 0.500 CB 1.464 13 residues pruned to eliminate duplicates Z: 7 8.817 1.997 0.309 0.829 1.000 0.500 CA 1.036 7 residues pruned to eliminate duplicates Z: 6 7.000 1.988 0.452 0.770 0.800 0.800 CA 1.068 6 residues pruned to eliminate duplicates Z: 6 11.005 2.167 0.316 0.797 1.000 0.800 CA 1.331 6 residues pruned to eliminate duplicates Z: 68 51.881 2.212 0.859 0.538 0.925 0.657 CB 1.605 68 residues pruned to eliminate duplicates Z: 19 51.306 2.324 0.989 0.920 1.000 0.722 CB 1.844 19 residues pruned to eliminate duplicates Z: 67 41.143 2.177 0.555 0.547 0.955 0.712 CB 1.498 67 residues pruned to eliminate duplicates Z: 22 39.113 2.005 1.006 0.916 0.952 0.667 CB 1.574 22 residues pruned to eliminate duplicates Z: 8 32.836 2.525 1.222 0.665 1.000 0.857 CA 1.899 8 residues pruned to eliminate duplicates Z: 18 20.234 1.867 0.408 0.906 1.000 0.882 CB 1.328 18 residues pruned to eliminate duplicates Z: 18 18.391 1.879 0.100 0.924 1.000 0.941 CB 1.516 18 residues pruned to eliminate duplicates Z: 26 29.478 2.362 0.952 0.420 0.880 0.600 CB 1.579 26 residues pruned to eliminate duplicates Z: 20 19.146 1.797 0.480 0.857 0.947 0.842 CB 1.285 20 residues pruned to eliminate duplicates Z: 7 20.383 2.230 0.591 0.892 1.000 1.000 CA 1.686 7 residues pruned to eliminate duplicates Z: 12 24.495 2.029 0.679 0.929 1.000 0.909 CA 1.518 12 residues pruned to eliminate duplicates Z: 11 21.977 2.195 0.584 0.844 0.900 0.800 CA 1.653 11 residues pruned to eliminate duplicates Z: 10 31.671 2.380 0.948 0.873 1.000 0.889 CB 1.659 10 residues pruned to eliminate duplicates Z: 72 44.297 2.151 0.683 0.563 0.944 0.676 CB 1.447 71 residues pruned to eliminate duplicates Z: 7 6.665 1.670 0.362 0.876 0.833 0.667 CA 1.043 7 residues pruned to eliminate duplicates Z: 106 85.665 2.432 0.906 0.581 0.905 0.695 CB 1.844 106 residues pruned to eliminate duplicates Z: 27 30.741 2.138 0.776 0.636 0.923 0.769 CB 1.514 27 residues pruned to eliminate duplicates Z: 11 19.937 2.083 0.543 0.913 0.900 0.900 CB 1.542 11 residues pruned to eliminate duplicates Z: 8 14.469 1.954 0.411 0.804 1.000 0.857 CB 1.521 8 residues pruned to eliminate duplicates Z: 18 23.436 1.915 0.347 0.938 1.000 0.882 CB 1.532 18 residues pruned to eliminate duplicates Z: 10 13.576 1.916 0.299 0.878 0.889 0.889 CA 1.484 10 residues pruned to eliminate duplicates Z: 22 24.833 2.024 0.549 0.633 0.952 0.762 CA 1.602 22 residues pruned to eliminate duplicates Z: 17 16.109 1.835 0.239 0.913 0.938 0.750 CB 1.338 17 residues pruned to eliminate duplicates Z: 18 19.102 1.892 0.466 0.899 1.000 0.765 CB 1.194 18 residues pruned to eliminate duplicates Z: 43 54.607 2.422 0.969 0.603 0.952 0.643 CB 1.682 43 residues pruned to eliminate duplicates Z: 31 17.848 1.930 0.196 0.626 0.933 0.800 CB 1.343 31 residues pruned to eliminate duplicates Z: 13 23.421 2.361 0.462 0.772 0.917 0.667 CA 1.680 13 residues pruned to eliminate duplicates Z: 22 37.151 2.032 0.843 0.896 1.000 0.810 CB 1.551 22 residues pruned to eliminate duplicates Z: 18 20.896 1.845 0.306 0.913 1.000 0.941 CB 1.489 18 residues pruned to eliminate duplicates Z: 59 71.909 2.439 0.953 0.628 0.914 0.638 CB 1.924 59 residues pruned to eliminate duplicates Z: 6 7.665 1.812 0.424 0.855 0.800 0.600 CA 1.225 6 residues pruned to eliminate duplicates Z: 16 12.304 1.764 0.634 0.588 0.933 0.667 CB 1.086 11 residues pruned to eliminate duplicates Z: 7 16.842 2.368 0.574 0.758 0.833 0.500 CA 1.760 7 residues pruned to eliminate duplicates Z: 11 14.975 1.948 0.714 0.617 1.000 0.700 CB 1.269 11 residues pruned to eliminate duplicates Z: 9 17.944 1.887 0.819 0.794 1.000 0.750 CA 1.428 9 residues pruned to eliminate duplicates Z: 73 52.436 2.345 0.616 0.528 0.903 0.736 CB 1.757 73 residues pruned to eliminate duplicates Z: 39 36.746 2.379 0.820 0.445 0.895 0.500 CB 1.628 39 residues pruned to eliminate duplicates Z: 8 7.271 1.679 0.650 0.678 0.714 0.714 CB 1.179 8 residues pruned to eliminate duplicates Z: 20 25.129 1.935 0.545 0.915 1.000 0.789 CB 1.362 20 residues pruned to eliminate duplicates Z: 62 40.322 2.225 0.586 0.551 0.852 0.639 CB 1.633 62 residues pruned to eliminate duplicates Z: 35 34.804 2.253 0.625 0.572 0.912 0.618 CB 1.668 35 residues pruned to eliminate duplicates Z: 26 27.615 2.090 0.746 0.624 0.880 0.760 CB 1.529 26 residues pruned to eliminate duplicates Z: 34 20.049 1.953 0.320 0.592 0.909 0.697 CB 1.364 34 residues pruned to eliminate duplicates Z: 8 5.776 1.788 0.917 0.319 0.714 0.286 CB 1.090 8 residues pruned to eliminate duplicates Z: 67 79.959 2.322 1.112 0.666 0.955 0.667 CB 1.803 67 residues pruned to eliminate duplicates Z: 83 70.585 2.495 0.861 0.526 0.902 0.744 CB 1.812 83 residues pruned to eliminate duplicates Z: 13 29.179 2.137 0.738 0.901 1.000 0.917 CA 1.619 13 residues pruned to eliminate duplicates Z: 10 24.214 2.400 0.242 0.914 1.000 1.000 CA 1.916 10 residues pruned to eliminate duplicates Z: 54 65.670 2.400 0.928 0.668 0.925 0.547 CB 1.805 54 residues pruned to eliminate duplicates Z: 18 16.995 1.921 0.240 0.897 1.000 0.941 CB 1.238 18 residues pruned to eliminate duplicates Z: 17 21.068 1.823 0.414 0.903 1.000 0.812 CB 1.457 17 residues pruned to eliminate duplicates Z: 7 8.779 1.831 0.248 0.742 1.000 0.833 CA 1.263 7 residues pruned to eliminate duplicates Z: 6 9.048 1.893 0.641 0.492 1.000 0.600 CB 1.314 6 residues pruned to eliminate duplicates Z: 39 37.949 2.259 0.678 0.527 0.921 0.684 CB 1.716 39 residues pruned to eliminate duplicates Z: 90 56.224 2.219 0.768 0.574 0.921 0.697 CB 1.535 90 residues pruned to eliminate duplicates Z: 23 65.741 2.337 1.408 0.910 0.955 0.818 CB 1.850 23 residues pruned to eliminate duplicates Z: 14 14.777 1.892 0.663 0.504 0.923 0.538 CB 1.406 22 residues pruned to eliminate duplicates Z: 26 20.728 1.922 0.589 0.631 0.840 0.680 CB 1.429 26 residues pruned to eliminate duplicates Z: 19 39.590 2.402 0.704 0.870 0.944 0.556 CB 1.762 19 residues pruned to eliminate duplicates Z: 8 15.710 1.877 0.517 0.828 1.000 1.000 C 1.571 Z: 10 7.416 1.758 0.546 0.473 0.778 0.556 CB 1.203 9 residues pruned to eliminate duplicates Z: 8 22.742 2.247 0.681 0.870 1.000 0.857 CB 1.661 8 residues pruned to eliminate duplicates Z: 35 41.511 2.435 0.828 0.476 0.882 0.618 CB 1.857 35 residues pruned to eliminate duplicates Z: 19 13.783 1.829 0.163 0.869 1.000 0.889 CB 1.115 19 residues pruned to eliminate duplicates Z: 105 77.460 2.408 0.797 0.558 0.913 0.596 CB 1.816 105 residues pruned to eliminate duplicates Z: 28 36.540 2.336 0.790 0.510 0.852 0.556 CA 1.955 28 residues pruned to eliminate duplicates Z: 37 43.761 2.041 0.914 0.776 0.972 0.778 CB 1.505 31 residues pruned to eliminate duplicates Z: 99 80.991 2.449 0.816 0.577 0.929 0.633 CB 1.841 99 residues pruned to eliminate duplicates Z: 6 5.529 1.668 0.230 0.866 1.000 0.800 CB 0.882 6 residues pruned to eliminate duplicates Z: 43 45.421 2.371 0.732 0.500 0.952 0.643 CB 1.792 43 residues pruned to eliminate duplicates Z: 22 41.879 2.035 1.039 0.915 1.000 0.810 CB 1.556 22 residues pruned to eliminate duplicates Z: 60 60.471 2.392 0.823 0.637 0.898 0.746 CB 1.768 60 residues pruned to eliminate duplicates Z: 18 15.720 1.888 0.254 0.896 1.000 0.824 CB 1.153 18 residues pruned to eliminate duplicates Z: 58 36.518 1.999 0.703 0.606 0.930 0.667 CB 1.381 58 residues pruned to eliminate duplicates Z: 44 42.346 2.333 0.690 0.521 0.884 0.581 CB 1.816 44 residues pruned to eliminate duplicates Z: 19 32.943 2.334 0.677 0.598 0.944 0.778 CB 1.914 19 residues pruned to eliminate duplicates Z: 54 68.740 2.393 0.962 0.622 0.962 0.717 CB 1.864 54 residues pruned to eliminate duplicates Z: 20 33.614 2.348 0.738 0.521 1.000 0.632 CB 1.851 20 residues pruned to eliminate duplicates Z: 63 56.806 2.420 0.796 0.539 0.919 0.629 CB 1.737 63 residues pruned to eliminate duplicates Z: 19 17.117 1.817 0.392 0.864 1.000 0.667 CB 1.170 19 residues pruned to eliminate duplicates Z: 18 41.912 2.188 0.926 0.902 1.000 0.706 CB 1.721 18 residues pruned to eliminate duplicates Z: 18 17.532 1.823 0.270 0.906 1.000 0.941 CB 1.306 18 residues pruned to eliminate duplicates Z: 91 64.942 2.436 0.738 0.508 0.922 0.633 CB 1.739 91 residues pruned to eliminate duplicates Z: 6 9.412 2.009 0.113 0.711 1.000 0.800 CA 1.555 6 residues pruned to eliminate duplicates Z: 18 14.959 1.860 0.068 0.889 1.000 0.941 CB 1.314 18 residues pruned to eliminate duplicates Z: 12 28.095 2.574 0.349 0.807 1.000 0.818 CA 1.866 12 residues pruned to eliminate duplicates Z: 24 62.428 2.258 1.239 0.938 1.000 0.913 CB 1.790 24 residues pruned to eliminate duplicates Z: 9 12.782 1.908 0.613 0.585 1.000 0.750 CB 1.354 9 residues pruned to eliminate duplicates Z: 37 44.203 2.450 0.752 0.534 0.917 0.750 CB 1.811 37 residues pruned to eliminate duplicates Z: 78 58.598 2.391 0.755 0.559 0.870 0.701 CB 1.726 78 residues pruned to eliminate duplicates Z: 40 25.750 1.982 0.611 0.591 0.923 0.667 CB 1.282 40 residues pruned to eliminate duplicates Z: 9 10.091 1.892 0.612 0.528 0.750 0.500 CA 1.518 9 residues pruned to eliminate duplicates Z: 20 43.601 2.341 0.657 0.955 1.000 1.000 CB 1.772 20 residues pruned to eliminate duplicates Z: 25 30.581 1.848 0.849 0.809 0.917 0.708 CA 1.522 25 residues pruned to eliminate duplicates Z: 20 30.394 1.962 0.788 0.896 1.000 0.895 CB 1.424 20 residues pruned to eliminate duplicates Z: 16 20.787 1.935 0.431 0.923 1.000 0.933 CB 1.363 16 residues pruned to eliminate duplicates Z: 15 19.111 1.890 0.362 0.934 1.000 0.857 CB 1.384 15 residues pruned to eliminate duplicates Z: 45 62.430 2.367 1.029 0.672 0.932 0.682 CB 1.794 45 residues pruned to eliminate duplicates Z: 6 7.168 1.562 0.617 0.680 1.000 0.800 CB 1.076 Z: 23 66.384 2.384 1.163 0.933 1.000 0.773 CB 1.916 23 residues pruned to eliminate duplicates Z: 6 3.302 1.570 0.312 0.369 0.600 0.400 O 1.376 6 residues pruned to eliminate duplicates Z: 7 10.944 2.146 -0.055 0.737 1.000 0.500 N 1.780 7 residues pruned to eliminate duplicates Z: 106 80.326 2.435 0.793 0.581 0.914 0.743 CB 1.817 106 residues pruned to eliminate duplicates Z: 13 21.710 1.849 0.640 0.930 1.000 1.000 CA 1.445 13 residues pruned to eliminate duplicates Z: 9 31.761 2.494 0.654 0.913 1.000 0.875 CA 1.926 9 residues pruned to eliminate duplicates Z: 33 31.737 2.340 0.641 0.474 0.812 0.625 CB 1.846 33 residues pruned to eliminate duplicates Z: 20 26.068 1.902 0.472 0.935 1.000 1.000 CB 1.489 20 residues pruned to eliminate duplicates Z: 8 12.206 1.839 0.537 0.892 0.857 0.571 CA 1.368 8 residues pruned to eliminate duplicates Z: 22 39.000 2.249 0.773 0.899 0.857 0.667 CB 1.780 22 residues pruned to eliminate duplicates Z: 14 19.928 1.784 0.583 0.891 1.000 0.923 CB 1.407 14 residues pruned to eliminate duplicates Z: 7 14.314 2.036 0.497 0.890 1.000 0.833 CA 1.379 7 residues pruned to eliminate duplicates Z: 6 12.485 2.137 0.559 0.644 1.000 1.000 CB 1.465 6 residues pruned to eliminate duplicates Z: 22 64.538 2.450 1.021 0.926 1.000 0.905 CB 1.994 22 residues pruned to eliminate duplicates Z: 19 24.467 1.812 0.795 0.885 0.944 0.556 CB 1.355 19 residues pruned to eliminate duplicates Z: 152 102.631 2.464 0.863 0.587 0.921 0.715 CB 1.819 152 residues pruned to eliminate duplicates Z: 28 25.268 2.079 0.900 0.609 0.889 0.704 CB 1.249 27 residues pruned to eliminate duplicates Z: 16 26.691 2.347 0.750 0.687 0.867 0.800 CB 1.632 16 residues pruned to eliminate duplicates Z: 28 16.010 1.897 0.353 0.605 0.926 0.778 CB 1.173 28 residues pruned to eliminate duplicates Z: 24 70.129 2.304 1.424 0.921 1.000 0.783 CB 1.842 24 residues pruned to eliminate duplicates Z: 51 60.401 2.260 0.983 0.665 0.960 0.700 CB 1.704 51 residues pruned to eliminate duplicates Z: 7 4.354 1.607 0.451 0.484 0.667 0.667 CA 1.162 7 residues pruned to eliminate duplicates Z: 11 24.411 1.916 0.815 0.869 1.000 0.900 C 1.621 11 residues pruned to eliminate duplicates Z: 129 92.545 2.452 0.885 0.563 0.906 0.688 CB 1.838 129 residues pruned to eliminate duplicates Z: 25 21.685 1.942 0.676 0.503 1.000 0.583 CB 1.356 62 residues pruned to eliminate duplicates Z: 48 46.102 2.256 0.816 0.547 0.915 0.596 CB 1.713 48 residues pruned to eliminate duplicates Z: 12 10.901 1.868 0.521 0.419 0.909 0.636 CB 1.384 12 residues pruned to eliminate duplicates Z: 9 9.933 1.867 0.575 0.564 0.750 0.625 CB 1.497 9 residues pruned to eliminate duplicates Z: 21 28.720 2.482 0.845 0.570 0.850 0.650 CB 1.542 22 residues pruned to eliminate duplicates Z: 106 81.921 2.434 0.864 0.550 0.962 0.695 CB 1.744 106 residues pruned to eliminate duplicates Z: 110 76.748 2.369 0.836 0.549 0.917 0.615 CB 1.756 110 residues pruned to eliminate duplicates Z: 19 21.340 2.392 0.606 0.398 0.889 0.722 CB 1.640 19 residues pruned to eliminate duplicates Z: 20 40.532 2.246 0.966 0.880 1.000 0.579 CB 1.527 20 residues pruned to eliminate duplicates Z: 22 39.827 1.996 1.024 0.885 1.000 0.810 CB 1.554 Z: 10 15.860 1.972 1.292 0.586 0.778 0.778 CB 1.385 10 residues pruned to eliminate duplicates Z: 67 55.327 2.366 0.587 0.564 0.955 0.727 CB 1.787 67 residues pruned to eliminate duplicates Z: 9 24.797 2.299 0.617 0.914 1.000 1.000 CA 1.668 9 residues pruned to eliminate duplicates Z: 8 5.412 1.703 0.510 0.649 0.857 0.857 CB 0.808 8 residues pruned to eliminate duplicates Z: 32 43.277 2.473 0.836 0.537 0.935 0.742 CB 1.765 32 residues pruned to eliminate duplicates Z: 22 47.812 2.505 1.094 0.591 0.952 0.714 CB 1.914 22 residues pruned to eliminate duplicates Z: 18 19.840 1.905 0.538 0.905 1.000 0.882 CB 1.168 18 residues pruned to eliminate duplicates Z: 120 89.069 2.443 0.914 0.571 0.933 0.655 CB 1.749 120 residues pruned to eliminate duplicates Z: 20 33.657 2.207 0.492 0.907 1.000 0.895 CB 1.667 20 residues pruned to eliminate duplicates Z: 32 41.730 2.035 0.875 0.810 0.935 0.774 CA 1.602 22 residues pruned to eliminate duplicates Z: 19 45.041 2.277 0.943 0.902 1.000 0.611 CB 1.712 19 residues pruned to eliminate duplicates Z: 133 83.250 2.333 0.749 0.595 0.955 0.727 CB 1.699 133 residues pruned to eliminate duplicates Z: 140 78.521 2.245 0.758 0.588 0.957 0.691 CB 1.620 140 residues pruned to eliminate duplicates Z: 11 13.172 1.781 0.293 0.894 1.000 1.000 CB 1.297 11 residues pruned to eliminate duplicates Z: 26 39.911 2.433 0.811 0.609 0.880 0.680 CB 1.856 26 residues pruned to eliminate duplicates Z: 46 22.448 1.920 0.379 0.500 0.889 0.533 CB 1.422 46 residues pruned to eliminate duplicates Z: 34 18.893 1.884 0.367 0.587 0.909 0.727 CB 1.293 34 residues pruned to eliminate duplicates Z: 20 52.563 2.306 0.933 0.956 1.000 0.895 CA 1.859 20 residues pruned to eliminate duplicates Z: 11 24.812 2.045 0.772 0.928 1.000 1.000 CB 1.516 11 residues pruned to eliminate duplicates Z: 7 28.192 2.295 0.956 0.867 1.000 0.833 CA 1.875 7 residues pruned to eliminate duplicates Z: 11 4.761 1.878 0.005 0.377 0.900 0.600 CB 1.010 11 residues pruned to eliminate duplicates Z: 9 8.220 1.712 0.548 0.707 1.000 0.875 CB 0.908 9 residues pruned to eliminate duplicates Z: 17 42.975 2.274 0.907 0.930 1.000 0.750 CB 1.733 17 residues pruned to eliminate duplicates Z: 13 25.687 2.086 0.798 0.929 0.917 0.917 CA 1.509 13 residues pruned to eliminate duplicates Z: 12 25.538 2.167 0.834 0.742 0.909 0.636 CB 1.715 11 residues pruned to eliminate duplicates Z: 62 56.418 2.391 0.860 0.528 0.918 0.607 CB 1.721 62 residues pruned to eliminate duplicates Z: 51 53.136 2.280 0.861 0.632 0.920 0.640 CB 1.701 51 residues pruned to eliminate duplicates Z: 25 37.545 1.921 1.074 0.845 0.958 0.583 CB 1.493 25 residues pruned to eliminate duplicates Z: 18 41.446 2.431 0.645 0.889 1.000 0.706 CB 1.810 18 residues pruned to eliminate duplicates Z: 9 3.398 1.463 0.354 0.406 0.750 0.625 CB 0.893 9 residues pruned to eliminate duplicates Z: 10 9.838 1.695 0.635 0.564 0.889 0.778 CA 1.252 10 residues pruned to eliminate duplicates Z: 36 35.071 2.221 0.723 0.530 0.914 0.629 CB 1.645 36 residues pruned to eliminate duplicates Z: 25 18.981 1.947 0.704 0.460 0.833 0.500 CA 1.460 25 residues pruned to eliminate duplicates Z: 19 29.266 2.050 0.474 0.912 1.000 0.889 CB 1.617 19 residues pruned to eliminate duplicates Z: 7 8.232 1.689 0.175 0.783 1.000 0.833 C 1.320 7 residues pruned to eliminate duplicates Z: 6 3.466 1.824 0.262 0.360 1.000 0.800 CA 0.783 Z: 10 10.774 2.054 0.572 0.442 1.000 0.556 CA 1.181 10 residues pruned to eliminate duplicates Z: 60 67.048 2.422 0.897 0.645 0.915 0.780 CB 1.813 60 residues pruned to eliminate duplicates Z: 39 45.113 2.477 0.893 0.497 0.947 0.632 CB 1.652 39 residues pruned to eliminate duplicates Z: 19 20.506 1.897 0.847 0.590 1.000 0.833 CB 1.266 19 residues pruned to eliminate duplicates Z: 6 4.242 1.577 0.455 0.449 0.800 0.600 CA 1.089 6 residues pruned to eliminate duplicates Z: 13 22.048 1.845 0.764 0.908 1.000 0.833 CA 1.390 13 residues pruned to eliminate duplicates Z: 8 2.731 1.671 -0.214 0.396 0.857 0.571 CB 1.024 Z: 24 48.757 2.374 0.972 0.667 0.957 0.826 CB 1.945 24 residues pruned to eliminate duplicates Z: 20 32.666 2.000 0.939 0.890 0.947 0.737 CB 1.467 20 residues pruned to eliminate duplicates Z: 25 39.474 2.432 0.913 0.532 0.917 0.583 CB 1.831 25 residues pruned to eliminate duplicates Z: 13 11.869 1.924 0.492 0.460 0.833 0.583 CB 1.492 13 residues pruned to eliminate duplicates Z: 36 59.640 2.315 1.112 0.698 0.943 0.600 CB 1.826 36 residues pruned to eliminate duplicates Z: 19 19.033 1.809 0.758 0.838 0.944 0.667 CB 1.116 19 residues pruned to eliminate duplicates Z: 6 8.826 2.072 0.539 0.419 0.800 0.400 C 1.684 6 residues pruned to eliminate duplicates Z: 17 22.377 1.983 0.319 0.928 1.000 0.875 CB 1.498 17 residues pruned to eliminate duplicates Z: 11 16.862 2.499 0.559 0.440 0.900 0.500 CB 1.617 11 residues pruned to eliminate duplicates Z: 6 5.832 1.689 0.264 0.511 1.000 0.800 CB 1.209 6 residues pruned to eliminate duplicates Z: 18 46.611 2.291 1.175 0.737 1.000 0.647 CA 1.834 18 residues pruned to eliminate duplicates Z: 7 11.468 1.996 1.082 0.538 0.667 0.500 CB 1.628 7 residues pruned to eliminate duplicates Z: 22 43.346 2.023 1.138 0.917 1.000 0.762 CB 1.543 22 residues pruned to eliminate duplicates Z: 23 36.958 1.909 0.974 0.897 0.955 0.636 CB 1.568 23 residues pruned to eliminate duplicates Z: 10 24.234 2.355 0.681 0.524 1.000 0.778 CB 1.994 10 residues pruned to eliminate duplicates Z: 29 52.805 2.487 0.982 0.606 0.964 0.643 CB 1.898 29 residues pruned to eliminate duplicates Z: 27 29.921 2.175 0.803 0.590 0.885 0.731 CB 1.552 29 residues pruned to eliminate duplicates Z: 6 3.472 1.450 0.677 0.298 0.800 0.600 CA 1.000 6 residues pruned to eliminate duplicates Z: 8 8.300 2.067 0.251 0.327 1.000 0.571 CB 1.467 8 residues pruned to eliminate duplicates Z: 22 56.522 2.536 0.681 0.885 1.000 0.810 CB 2.090 22 residues pruned to eliminate duplicates Z: 10 5.709 1.851 0.284 0.410 0.778 0.667 CB 1.131 10 residues pruned to eliminate duplicates Z: 9 14.302 2.022 0.442 0.473 1.000 0.750 CB 1.782 9 residues pruned to eliminate duplicates Z: 38 44.441 2.411 0.911 0.477 0.946 0.676 CB 1.715 38 residues pruned to eliminate duplicates Z: 35 40.901 2.280 0.799 0.538 0.971 0.824 CB 1.698 35 residues pruned to eliminate duplicates Z: 33 33.968 2.191 0.834 0.525 0.938 0.500 CB 1.555 45 residues pruned to eliminate duplicates Z: 19 22.970 1.838 0.722 0.897 0.889 0.778 CB 1.378 19 residues pruned to eliminate duplicates Z: 13 10.342 1.840 0.733 0.648 0.833 0.583 CB 0.979 13 residues pruned to eliminate duplicates Z: 25 27.606 2.148 0.986 0.539 0.792 0.667 CB 1.606 25 residues pruned to eliminate duplicates Z: 38 37.241 2.300 0.626 0.511 0.946 0.622 CB 1.711 38 residues pruned to eliminate duplicates Z: 56 75.323 2.439 0.943 0.689 0.927 0.709 CB 1.945 56 residues pruned to eliminate duplicates Z: 8 20.669 2.303 0.596 0.780 0.857 0.429 CA 1.938 8 residues pruned to eliminate duplicates Z: 51 45.683 2.339 0.710 0.633 0.880 0.660 CB 1.620 51 residues pruned to eliminate duplicates Z: 7 12.310 1.785 0.679 0.692 1.000 0.667 CA 1.407 7 residues pruned to eliminate duplicates Z: 23 39.886 1.920 1.067 0.902 1.000 0.682 CB 1.528 23 residues pruned to eliminate duplicates Z: 28 46.859 2.609 0.807 0.564 0.926 0.778 CB 1.941 28 residues pruned to eliminate duplicates Z: 128 77.396 2.373 0.636 0.580 0.929 0.677 CB 1.762 128 residues pruned to eliminate duplicates Z: 12 28.625 2.212 0.610 0.916 1.000 1.000 CA 1.712 12 residues pruned to eliminate duplicates Z: 39 36.664 2.187 0.843 0.515 0.895 0.684 CB 1.625 39 residues pruned to eliminate duplicates Z: 13 20.112 1.914 0.669 0.887 0.917 0.833 CA 1.429 13 residues pruned to eliminate duplicates Z: 10 37.641 2.355 1.098 0.896 1.000 0.889 CA 1.819 10 residues pruned to eliminate duplicates Z: 23 31.601 2.322 0.724 0.511 0.909 0.682 CB 1.832 23 residues pruned to eliminate duplicates Z: 55 53.865 2.186 0.958 0.641 0.907 0.648 CB 1.654 55 residues pruned to eliminate duplicates Z: 11 20.904 2.110 0.723 0.888 0.900 0.900 CB 1.455 11 residues pruned to eliminate duplicates Z: 15 48.463 2.640 1.097 0.716 0.929 0.571 CA 2.073 15 residues pruned to eliminate duplicates Z: 8 18.821 2.321 0.481 0.832 1.000 0.429 CB 1.553 8 residues pruned to eliminate duplicates Z: 6 4.695 1.627 0.589 0.585 0.800 0.600 C 0.936 13 residues pruned to eliminate duplicates Z: 8 11.799 1.952 0.263 0.730 1.000 0.571 CB 1.471 8 residues pruned to eliminate duplicates Z: 21 19.631 2.194 0.683 0.372 0.950 0.500 CB 1.435 21 residues pruned to eliminate duplicates 7 1.698 1.546 -0.204 0.349 0.667 0.500 N 0.996 ? Z: 9 16.193 2.174 0.402 0.609 1.000 0.500 CA 1.694 9 residues pruned to eliminate duplicates Z: 6 2.312 1.033 0.027 0.833 1.000 0.600 N 0.731 6 residues pruned to eliminate duplicates Z: 15 17.432 2.201 0.776 0.437 0.857 0.571 CB 1.485 15 residues pruned to eliminate duplicates Z: 9 4.890 1.431 0.371 0.464 0.875 0.750 CB 1.045 9 residues pruned to eliminate duplicates Z: 50 61.362 2.305 0.956 0.657 0.959 0.755 CB 1.752 57 residues pruned to eliminate duplicates Z: 16 13.867 2.304 0.226 0.430 0.867 0.533 CB 1.572 16 residues pruned to eliminate duplicates Z: 12 40.756 2.498 0.819 0.829 1.000 0.818 CB 2.035 12 residues pruned to eliminate duplicates Z: 11 6.172 1.822 0.636 0.408 0.700 0.600 CB 1.030 11 residues pruned to eliminate duplicates Z: 24 47.990 2.566 1.030 0.608 0.870 0.609 CB 1.993 24 residues pruned to eliminate duplicates Z: 17 14.424 1.919 0.647 0.489 0.812 0.375 CA 1.420 17 residues pruned to eliminate duplicates Z: 50 46.076 2.294 0.812 0.582 0.918 0.735 CB 1.593 50 residues pruned to eliminate duplicates Z: 18 13.879 2.163 0.400 0.429 0.882 0.471 CB 1.356 18 residues pruned to eliminate duplicates Z: 16 19.048 2.143 0.588 0.505 0.867 0.733 C 1.660 16 residues pruned to eliminate duplicates Z: 9 12.522 1.825 0.304 0.717 1.000 0.750 CB 1.529 9 residues pruned to eliminate duplicates Z: 6 2.217 1.590 0.395 0.464 0.800 0.800 CB 0.579 Z: 11 17.086 2.115 0.853 0.445 0.900 0.700 CA 1.621 11 residues pruned to eliminate duplicates Z: 38 68.477 2.459 0.946 0.711 0.973 0.703 CB 1.997 38 residues pruned to eliminate duplicates Z: 10 31.700 2.328 1.076 0.885 0.889 0.889 CB 1.776 10 residues pruned to eliminate duplicates Z: 43 46.261 2.416 0.676 0.557 0.952 0.690 CB 1.751 43 residues pruned to eliminate duplicates Z: 19 20.431 2.158 0.391 0.502 1.000 0.778 CB 1.602 18 residues pruned to eliminate duplicates Z: 9 20.105 2.064 0.515 0.845 1.000 1.000 CA 1.690 9 residues pruned to eliminate duplicates Z: 11 25.530 2.057 1.094 0.646 1.000 0.800 CB 1.636 11 residues pruned to eliminate duplicates Z: 9 21.258 2.159 0.891 0.599 1.000 0.875 CA 1.675 9 residues pruned to eliminate duplicates Z: 10 5.138 1.561 0.457 0.333 0.778 0.556 N 1.162 Z: 35 50.862 2.546 0.841 0.523 0.941 0.647 CB 1.933 35 residues pruned to eliminate duplicates Z: 12 21.908 1.844 1.103 0.909 1.000 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 19 13.156 1.779 0.202 0.826 0.944 0.722 CB 1.158 19 residues pruned to eliminate duplicates Z: 11 10.733 1.962 0.182 0.633 1.000 0.800 CA 1.292 11 residues pruned to eliminate duplicates Z: 7 3.530 1.418 0.223 0.589 0.833 0.667 CA 0.916 Z: 14 17.738 1.943 0.782 0.755 0.846 0.769 CB 1.338 14 residues pruned to eliminate duplicates Z: 28 21.274 2.109 0.427 0.491 0.889 0.704 CB 1.544 28 residues pruned to eliminate duplicates Z: 19 19.731 1.983 0.674 0.534 0.944 0.667 CB 1.435 14 residues pruned to eliminate duplicates Z: 13 32.527 2.136 0.977 0.862 1.000 0.667 CA 1.633 13 residues pruned to eliminate duplicates Z: 7 8.095 1.936 -0.022 0.840 1.000 1.000 CA 1.302 7 residues pruned to eliminate duplicates Z: 39 39.266 2.217 0.838 0.518 0.895 0.763 CB 1.715 39 residues pruned to eliminate duplicates Z: 12 12.734 1.737 0.758 0.523 0.909 0.545 CB 1.352 9 residues pruned to eliminate duplicates Z: 18 10.869 1.663 0.547 0.505 0.882 0.588 CB 1.155 18 residues pruned to eliminate duplicates Z: 28 25.592 2.289 0.683 0.493 0.889 0.630 CB 1.449 28 residues pruned to eliminate duplicates Z: 34 36.859 2.249 0.672 0.574 0.970 0.758 CB 1.639 34 residues pruned to eliminate duplicates Z: 32 37.929 2.366 0.620 0.560 0.968 0.742 CB 1.732 32 residues pruned to eliminate duplicates Z: 82 66.902 2.419 0.733 0.552 0.914 0.630 CB 1.845 82 residues pruned to eliminate duplicates Z: 6 20.883 2.215 0.845 0.807 1.000 1.000 CB 1.748 6 residues pruned to eliminate duplicates Z: 40 50.922 2.146 1.031 0.693 0.974 0.769 CB 1.609 40 residues pruned to eliminate duplicates Z: 6 5.959 1.602 0.720 0.631 1.000 0.600 CA 0.855 6 residues pruned to eliminate duplicates Z: 67 63.461 2.447 0.841 0.524 0.939 0.667 CB 1.802 67 residues pruned to eliminate duplicates Z: 17 14.302 1.887 0.794 0.555 0.812 0.562 CB 1.232 16 residues pruned to eliminate duplicates Z: 24 28.105 2.029 0.770 0.620 1.000 0.652 CB 1.458 26 residues pruned to eliminate duplicates Z: 10 23.208 2.048 0.741 0.913 1.000 1.000 CB 1.536 10 residues pruned to eliminate duplicates Z: 33 47.097 2.544 0.814 0.569 0.875 0.719 CB 1.928 33 residues pruned to eliminate duplicates Z: 9 45.883 2.597 1.432 0.854 1.000 0.750 CB 1.897 9 residues pruned to eliminate duplicates Z: 78 62.476 2.325 0.783 0.595 0.935 0.649 CB 1.677 78 residues pruned to eliminate duplicates Z: 34 49.690 2.487 0.868 0.550 0.909 0.636 CB 1.951 34 residues pruned to eliminate duplicates Z: 24 37.959 1.917 1.036 0.907 1.000 0.696 CA 1.440 24 residues pruned to eliminate duplicates Z: 19 12.765 1.776 0.163 0.909 1.000 0.944 CB 1.034 19 residues pruned to eliminate duplicates Z: 8 4.125 1.462 0.343 0.508 1.000 0.571 CB 0.788 Z: 30 43.908 2.272 0.932 0.633 0.966 0.793 CB 1.699 30 residues pruned to eliminate duplicates Z: 45 52.575 2.517 0.850 0.529 0.932 0.591 CB 1.775 45 residues pruned to eliminate duplicates Z: 45 58.946 2.459 0.995 0.582 0.932 0.636 CB 1.797 45 residues pruned to eliminate duplicates Z: 6 7.659 2.189 0.122 0.872 0.800 0.600 CA 1.270 6 residues pruned to eliminate duplicates Z: 11 6.816 1.955 -0.047 0.427 0.800 0.500 CB 1.560 11 residues pruned to eliminate duplicates 6 1.043 1.003 0.487 0.304 0.600 0.600 O 0.648 ? Z: 32 45.634 2.510 0.800 0.543 0.935 0.581 CB 1.859 32 residues pruned to eliminate duplicates Z: 19 22.526 1.810 0.501 0.885 1.000 0.667 CB 1.411 19 residues pruned to eliminate duplicates Z: 51 72.225 2.463 0.949 0.652 0.960 0.740 CB 1.924 51 residues pruned to eliminate duplicates Z: 15 10.414 1.893 0.786 0.281 0.786 0.500 CB 1.341 15 residues pruned to eliminate duplicates Z: 8 3.344 1.349 0.456 0.198 1.000 0.286 N 0.921 8 residues pruned to eliminate duplicates Z: 41 38.410 2.320 0.613 0.535 0.925 0.725 CB 1.696 41 residues pruned to eliminate duplicates Z: 31 41.838 2.059 0.819 0.800 1.000 0.700 CB 1.568 31 residues pruned to eliminate duplicates Z: 19 34.468 2.296 0.917 0.648 0.944 0.778 CB 1.703 19 residues pruned to eliminate duplicates Z: 15 18.041 1.801 0.831 0.548 1.000 0.643 CB 1.395 15 residues pruned to eliminate duplicates Z: 16 29.963 2.375 0.824 0.709 0.867 0.733 CB 1.705 16 residues pruned to eliminate duplicates Z: 39 30.690 2.204 0.402 0.580 0.895 0.711 CB 1.668 39 residues pruned to eliminate duplicates Z: 20 22.223 2.224 0.723 0.455 0.947 0.684 CB 1.471 20 residues pruned to eliminate duplicates Z: 46 73.751 2.463 1.053 0.642 0.956 0.733 CB 1.992 50 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 33 20.515 1.914 0.419 0.588 0.875 0.656 CB 1.403 33 residues pruned to eliminate duplicates Z: 23 20.581 1.954 0.325 0.688 1.000 0.727 CB 1.427 23 residues pruned to eliminate duplicates Z: 65 47.381 2.215 0.673 0.576 0.938 0.656 CB 1.584 65 residues pruned to eliminate duplicates Z: 22 20.112 1.952 0.372 0.701 0.952 0.667 CB 1.434 22 residues pruned to eliminate duplicates Z: 94 49.509 2.147 0.700 0.549 0.903 0.645 CB 1.484 94 residues pruned to eliminate duplicates Z: 39 22.960 1.899 0.595 0.514 0.921 0.632 CB 1.317 39 residues pruned to eliminate duplicates Z: 37 23.173 1.930 0.543 0.543 0.917 0.583 CB 1.357 37 residues pruned to eliminate duplicates Z: 67 49.326 2.187 0.706 0.562 0.939 0.652 CB 1.632 67 residues pruned to eliminate duplicates Z: 25 17.413 1.881 0.408 0.664 0.875 0.750 CB 1.318 25 residues pruned to eliminate duplicates Z: 49 37.632 2.028 0.712 0.670 0.979 0.688 CB 1.366 49 residues pruned to eliminate duplicates Z: 22 26.916 1.977 0.707 0.715 1.000 0.571 CB 1.432 22 residues pruned to eliminate duplicates Z: 32 28.346 1.960 0.739 0.622 0.968 0.581 CB 1.375 32 residues pruned to eliminate duplicates Z: 23 21.808 1.876 0.756 0.703 0.864 0.500 CB 1.359 23 residues pruned to eliminate duplicates Z: 24 25.438 1.936 0.730 0.678 0.957 0.565 CB 1.405 24 residues pruned to eliminate duplicates Z: 23 23.073 1.943 0.741 0.686 0.909 0.545 CB 1.348 23 residues pruned to eliminate duplicates Z: 37 23.321 1.851 0.685 0.556 0.917 0.389 CB 1.287 37 residues pruned to eliminate duplicates Z: 33 27.722 1.955 0.769 0.606 0.969 0.656 CB 1.323 33 residues pruned to eliminate duplicates Z: 45 32.639 2.063 0.757 0.540 0.909 0.636 CB 1.436 45 residues pruned to eliminate duplicates Z: 27 20.930 1.845 0.871 0.620 0.808 0.500 CB 1.314 27 residues pruned to eliminate duplicates Z: 91 59.271 2.204 0.801 0.577 0.922 0.622 CB 1.585 91 residues pruned to eliminate duplicates Z: 133 74.062 2.233 0.755 0.593 0.932 0.697 CB 1.616 133 residues pruned to eliminate duplicates Z: 27 30.401 2.133 0.679 0.592 0.962 0.731 CB 1.585 27 residues pruned to eliminate duplicates Z: 24 25.363 2.087 0.598 0.626 0.957 0.739 CB 1.472 24 residues pruned to eliminate duplicates Z: 22 25.714 2.132 0.645 0.623 0.905 0.762 CB 1.575 22 residues pruned to eliminate duplicates Z: 30 27.551 2.127 0.692 0.574 0.897 0.655 CB 1.477 30 residues pruned to eliminate duplicates Z: 25 34.757 2.262 0.780 0.622 0.958 0.833 CB 1.640 25 residues pruned to eliminate duplicates Z: 21 30.285 2.207 0.798 0.671 0.950 0.750 CB 1.534 21 residues pruned to eliminate duplicates Z: 26 29.076 2.142 0.734 0.564 0.920 0.720 CB 1.600 26 residues pruned to eliminate duplicates Z: 26 31.072 2.161 0.891 0.607 0.880 0.760 CB 1.561 26 residues pruned to eliminate duplicates Z: 22 24.619 2.160 0.693 0.654 0.857 0.762 CB 1.485 22 residues pruned to eliminate duplicates Z: 39 39.162 2.233 0.737 0.573 0.947 0.789 CB 1.611 39 residues pruned to eliminate duplicates Z: 97 69.867 2.334 0.784 0.588 0.917 0.719 CB 1.718 97 residues pruned to eliminate duplicates Z: 25 32.911 2.204 0.713 0.602 0.958 0.833 CB 1.685 25 residues pruned to eliminate duplicates Z: 38 32.286 2.161 0.697 0.546 0.919 0.703 CB 1.507 38 residues pruned to eliminate duplicates Z: 22 28.788 2.106 0.716 0.656 0.952 0.762 CB 1.579 22 residues pruned to eliminate duplicates Z: 26 28.108 2.125 0.794 0.586 0.880 0.680 CB 1.544 26 residues pruned to eliminate duplicates Z: 26 36.365 2.207 0.801 0.602 0.960 0.800 CB 1.730 26 residues pruned to eliminate duplicates Z: 21 36.705 2.198 0.788 0.725 1.000 0.850 CB 1.706 21 residues pruned to eliminate duplicates Z: 27 30.465 2.131 0.853 0.568 0.885 0.769 CB 1.601 27 residues pruned to eliminate duplicates Z: 22 29.552 2.155 0.707 0.671 0.952 0.714 CB 1.573 22 residues pruned to eliminate duplicates Z: 26 31.150 2.142 0.883 0.595 0.880 0.680 CB 1.603 26 residues pruned to eliminate duplicates Z: 39 34.602 2.144 0.866 0.590 0.921 0.684 CB 1.398 39 residues pruned to eliminate duplicates Z: 24 34.258 2.243 0.838 0.642 0.957 0.696 CB 1.586 24 residues pruned to eliminate duplicates Z: 8 7.398 1.827 0.828 0.494 0.714 0.429 CB 1.179 8 residues pruned to eliminate duplicates Z: 10 12.682 1.894 1.092 0.418 0.778 0.556 CB 1.494 10 residues pruned to eliminate duplicates Z: 20 22.196 2.177 0.955 0.496 0.789 0.579 CB 1.523 20 residues pruned to eliminate duplicates Z: 36 33.871 2.164 0.824 0.493 0.886 0.571 CB 1.650 36 residues pruned to eliminate duplicates Z: 41 37.022 2.167 0.783 0.569 0.900 0.700 CB 1.574 41 residues pruned to eliminate duplicates Z: 21 24.171 2.148 0.944 0.431 0.900 0.600 CB 1.545 21 residues pruned to eliminate duplicates Z: 13 14.250 2.187 0.778 0.479 0.750 0.500 CB 1.440 13 residues pruned to eliminate duplicates Z: 13 21.315 2.406 0.764 0.563 0.750 0.583 CB 1.818 13 residues pruned to eliminate duplicates Z: 13 25.435 2.400 0.745 0.585 0.917 0.583 CB 1.761 13 residues pruned to eliminate duplicates Z: 36 36.215 2.213 0.876 0.506 0.914 0.714 CB 1.603 36 residues pruned to eliminate duplicates Z: 21 22.858 2.137 0.966 0.424 0.900 0.550 CB 1.463 21 residues pruned to eliminate duplicates Z: 14 26.324 2.270 0.898 0.594 0.923 0.615 CB 1.678 14 residues pruned to eliminate duplicates Z: 6 9.005 1.837 0.844 0.388 1.000 0.800 CA 1.338 6 residues pruned to eliminate duplicates Z: 39 37.321 2.244 0.807 0.573 0.895 0.711 CB 1.555 39 residues pruned to eliminate duplicates Z: 61 44.751 2.143 0.784 0.632 0.900 0.700 CB 1.483 61 residues pruned to eliminate duplicates Z: 41 41.008 2.206 0.856 0.574 0.925 0.650 CB 1.594 41 residues pruned to eliminate duplicates Z: 37 34.231 2.284 0.622 0.520 0.889 0.583 CB 1.698 37 residues pruned to eliminate duplicates Z: 38 36.918 2.325 0.596 0.509 0.946 0.676 CB 1.714 38 residues pruned to eliminate duplicates Z: 36 35.183 2.352 0.576 0.518 0.914 0.657 CB 1.725 36 residues pruned to eliminate duplicates Z: 72 41.282 2.188 0.496 0.550 0.958 0.718 CB 1.487 73 residues pruned to eliminate duplicates Z: 7 4.140 1.753 0.100 0.362 0.833 0.500 CA 1.221 7 residues pruned to eliminate duplicates Z: 74 38.894 2.167 0.515 0.535 0.904 0.699 CB 1.482 74 residues pruned to eliminate duplicates Z: 45 39.093 2.327 0.605 0.484 0.932 0.636 CB 1.720 45 residues pruned to eliminate duplicates Z: 6 3.870 1.789 0.089 0.365 0.800 0.800 CA 1.283 6 residues pruned to eliminate duplicates Z: 72 41.280 2.177 0.518 0.548 0.944 0.732 CB 1.500 72 residues pruned to eliminate duplicates Z: 33 29.291 2.264 0.496 0.521 0.906 0.625 CB 1.652 33 residues pruned to eliminate duplicates Z: 37 35.965 2.294 0.602 0.530 0.944 0.639 CB 1.677 37 residues pruned to eliminate duplicates Z: 36 41.336 2.238 0.746 0.528 0.971 0.743 CB 1.791 36 residues pruned to eliminate duplicates Z: 37 38.719 2.312 0.621 0.527 0.972 0.556 CB 1.724 37 residues pruned to eliminate duplicates Z: 72 41.534 2.167 0.576 0.558 0.930 0.648 CB 1.467 72 residues pruned to eliminate duplicates Z: 66 48.354 2.281 0.725 0.539 0.892 0.615 CB 1.644 138 residues pruned to eliminate duplicates Z: 71 43.354 2.202 0.535 0.570 0.943 0.671 CB 1.520 Z: 16 29.844 2.279 0.764 0.782 0.867 0.533 CB 1.725 16 residues pruned to eliminate duplicates Z: 71 43.030 2.202 0.539 0.573 0.943 0.714 CB 1.499 71 residues pruned to eliminate duplicates Z: 6 15.074 2.245 0.645 0.827 1.000 0.400 CA 1.376 6 residues pruned to eliminate duplicates Z: 39 37.191 2.325 0.608 0.534 0.921 0.711 CB 1.695 39 residues pruned to eliminate duplicates Z: 73 40.561 2.164 0.541 0.548 0.931 0.708 CB 1.470 73 residues pruned to eliminate duplicates Z: 37 39.646 2.355 0.661 0.545 0.944 0.694 CB 1.711 37 residues pruned to eliminate duplicates Z: 72 43.814 2.187 0.604 0.567 0.944 0.746 CB 1.473 72 residues pruned to eliminate duplicates Z: 6 5.217 1.757 0.435 0.304 0.800 0.400 C 1.439 6 residues pruned to eliminate duplicates Z: 71 43.402 2.213 0.589 0.537 0.943 0.671 CB 1.509 71 residues pruned to eliminate duplicates Z: 7 4.631 1.522 0.292 0.396 0.833 0.333 O 1.287 7 residues pruned to eliminate duplicates Z: 72 51.809 2.269 0.751 0.511 0.944 0.620 CB 1.623 51 residues pruned to eliminate duplicates Z: 6 4.561 1.654 0.478 0.336 0.800 0.800 CA 1.248 6 residues pruned to eliminate duplicates Z: 72 42.632 2.185 0.579 0.551 0.930 0.704 CB 1.500 72 residues pruned to eliminate duplicates Z: 11 16.781 2.280 0.827 0.432 0.900 0.700 CB 1.519 11 residues pruned to eliminate duplicates Z: 45 45.869 2.326 0.811 0.512 0.955 0.636 CB 1.700 45 residues pruned to eliminate duplicates Z: 117 82.050 2.357 0.799 0.598 0.948 0.707 CB 1.725 217 residues pruned to eliminate duplicates Z: 48 25.774 2.019 0.530 0.536 0.936 0.660 CB 1.255 Z: 8 7.760 1.748 0.631 0.330 0.857 0.429 C 1.446 8 residues pruned to eliminate duplicates Z: 40 23.040 2.001 0.458 0.581 0.923 0.692 CB 1.267 40 residues pruned to eliminate duplicates Z: 39 25.658 2.024 0.537 0.588 0.974 0.763 CB 1.263 39 residues pruned to eliminate duplicates Z: 53 44.074 2.331 0.631 0.556 0.923 0.712 CB 1.649 30 residues pruned to eliminate duplicates Z: 18 15.881 1.884 0.321 0.884 1.000 0.882 CB 1.118 18 residues pruned to eliminate duplicates Z: 39 27.383 2.058 0.561 0.580 0.974 0.711 CB 1.314 39 residues pruned to eliminate duplicates Z: 18 16.011 1.880 0.287 0.883 1.000 0.706 CB 1.161 18 residues pruned to eliminate duplicates Z: 75 39.637 2.113 0.522 0.563 0.932 0.716 CB 1.446 75 residues pruned to eliminate duplicates Z: 40 25.109 2.015 0.571 0.549 0.949 0.641 CB 1.277 40 residues pruned to eliminate duplicates Z: 29 23.119 1.943 0.644 0.685 0.964 0.643 CB 1.197 29 residues pruned to eliminate duplicates Z: 25 16.714 1.871 0.633 0.695 0.917 0.667 CB 1.019 25 residues pruned to eliminate duplicates Z: 64 47.736 2.210 0.752 0.579 0.952 0.698 CB 1.512 63 residues pruned to eliminate duplicates Z: 18 22.001 1.875 0.695 0.880 1.000 0.647 CB 1.217 18 residues pruned to eliminate duplicates Z: 64 45.136 2.182 0.753 0.581 0.905 0.667 CB 1.521 64 residues pruned to eliminate duplicates Z: 72 41.252 2.144 0.731 0.559 0.901 0.648 CB 1.382 72 residues pruned to eliminate duplicates Z: 43 29.877 2.052 0.658 0.576 0.929 0.690 CB 1.356 43 residues pruned to eliminate duplicates Z: 35 23.281 1.954 0.792 0.563 0.912 0.676 CB 1.177 35 residues pruned to eliminate duplicates Z: 71 48.984 2.205 0.718 0.574 0.957 0.643 CB 1.503 72 residues pruned to eliminate duplicates Z: 18 25.628 1.905 0.901 0.888 1.000 0.588 CB 1.236 18 residues pruned to eliminate duplicates Z: 29 23.309 1.929 0.785 0.669 0.964 0.607 CB 1.135 29 residues pruned to eliminate duplicates Z: 39 27.782 2.012 0.763 0.586 0.947 0.526 CB 1.234 39 residues pruned to eliminate duplicates Z: 39 29.522 2.024 0.773 0.618 0.947 0.632 CB 1.260 39 residues pruned to eliminate duplicates Z: 6 2.465 1.099 0.657 0.403 1.000 0.800 CB 0.670 6 residues pruned to eliminate duplicates Z: 35 53.950 2.310 1.017 0.734 0.941 0.735 CB 1.710 35 residues pruned to eliminate duplicates Z: 69 67.352 2.402 0.806 0.614 0.926 0.588 CB 1.824 69 residues pruned to eliminate duplicates Z: 72 70.438 2.432 0.793 0.601 0.944 0.620 CB 1.846 72 residues pruned to eliminate duplicates Z: 64 76.272 2.455 0.957 0.642 0.937 0.698 CB 1.870 64 residues pruned to eliminate duplicates Z: 76 64.773 2.390 0.786 0.607 0.920 0.613 CB 1.720 76 residues pruned to eliminate duplicates Z: 50 53.234 2.331 0.742 0.684 0.918 0.673 CB 1.722 50 residues pruned to eliminate duplicates Z: 98 88.811 2.496 0.874 0.604 0.938 0.619 CB 1.862 98 residues pruned to eliminate duplicates Z: 70 73.490 2.426 0.877 0.651 0.942 0.667 CB 1.792 70 residues pruned to eliminate duplicates Z: 69 69.649 2.445 0.794 0.659 0.926 0.676 CB 1.794 69 residues pruned to eliminate duplicates Z: 107 82.130 2.444 0.799 0.575 0.925 0.604 CB 1.826 107 residues pruned to eliminate duplicates Z: 67 73.890 2.431 0.931 0.658 0.939 0.667 CB 1.782 67 residues pruned to eliminate duplicates Z: 44 62.293 2.387 0.914 0.681 0.953 0.698 CB 1.846 50 residues pruned to eliminate duplicates Z: 22 50.399 2.405 0.689 0.906 1.000 0.857 CB 1.926 22 residues pruned to eliminate duplicates Z: 65 77.137 2.457 0.931 0.643 0.953 0.672 CB 1.865 65 residues pruned to eliminate duplicates Z: 100 79.737 2.469 0.847 0.576 0.889 0.646 CB 1.838 100 residues pruned to eliminate duplicates Z: 70 74.856 2.419 0.907 0.656 0.942 0.725 CB 1.794 64 residues pruned to eliminate duplicates Z: 23 60.186 2.357 1.036 0.922 1.000 0.727 CB 1.881 23 residues pruned to eliminate duplicates Z: 67 67.928 2.395 0.830 0.648 0.955 0.712 CB 1.740 67 residues pruned to eliminate duplicates Z: 100 80.374 2.467 0.856 0.586 0.879 0.667 CB 1.850 100 residues pruned to eliminate duplicates Z: 69 69.989 2.431 0.881 0.650 0.912 0.706 CB 1.771 69 residues pruned to eliminate duplicates Z: 65 79.259 2.445 1.013 0.644 0.938 0.672 CB 1.876 65 residues pruned to eliminate duplicates Z: 69 77.118 2.438 0.897 0.657 0.985 0.691 CB 1.773 69 residues pruned to eliminate duplicates Z: 101 84.722 2.429 0.886 0.596 0.950 0.660 CB 1.775 101 residues pruned to eliminate duplicates Z: 101 85.737 2.481 0.864 0.583 0.920 0.650 CB 1.861 101 residues pruned to eliminate duplicates Z: 64 73.805 2.490 0.944 0.641 0.905 0.651 CB 1.861 64 residues pruned to eliminate duplicates Z: 51 54.949 2.316 0.870 0.658 0.940 0.680 CB 1.648 51 residues pruned to eliminate duplicates Z: 65 79.513 2.466 0.994 0.654 0.953 0.688 CB 1.838 70 residues pruned to eliminate duplicates Z: 22 66.957 2.459 1.091 0.925 1.000 0.857 CB 1.994 22 residues pruned to eliminate duplicates Z: 70 65.916 2.386 0.906 0.610 0.884 0.681 CB 1.778 70 residues pruned to eliminate duplicates Z: 78 64.501 2.348 0.833 0.618 0.909 0.675 CB 1.680 78 residues pruned to eliminate duplicates Z: 65 76.056 2.451 0.863 0.648 0.953 0.688 CB 1.904 65 residues pruned to eliminate duplicates Z: 69 75.797 2.426 0.943 0.667 0.941 0.721 CB 1.775 69 residues pruned to eliminate duplicates Z: 107 83.893 2.425 0.841 0.585 0.934 0.670 CB 1.800 107 residues pruned to eliminate duplicates Z: 106 85.276 2.437 0.896 0.589 0.933 0.648 CB 1.771 106 residues pruned to eliminate duplicates Z: 65 73.751 2.460 0.906 0.644 0.938 0.719 CB 1.834 65 residues pruned to eliminate duplicates Z: 33 46.860 2.550 0.871 0.527 0.875 0.594 CB 1.933 33 residues pruned to eliminate duplicates Z: 71 74.899 2.390 0.952 0.652 0.943 0.729 CB 1.768 71 residues pruned to eliminate duplicates Z: 101 77.665 2.418 0.825 0.563 0.910 0.630 CB 1.820 101 residues pruned to eliminate duplicates Z: 27 32.880 2.273 0.879 0.523 0.923 0.654 CB 1.599 27 residues pruned to eliminate duplicates Z: 34 45.500 2.480 0.842 0.526 0.909 0.636 CB 1.860 34 residues pruned to eliminate duplicates Z: 33 49.551 2.542 0.871 0.532 0.906 0.656 CB 1.969 33 residues pruned to eliminate duplicates Z: 47 41.202 2.387 0.754 0.440 0.870 0.500 CB 1.775 47 residues pruned to eliminate duplicates Z: 41 45.244 2.428 0.809 0.498 0.925 0.600 CB 1.766 41 residues pruned to eliminate duplicates Z: 34 47.049 2.517 0.864 0.541 0.909 0.545 CB 1.845 34 residues pruned to eliminate duplicates Z: 69 60.555 2.479 0.719 0.497 0.926 0.544 CB 1.865 69 residues pruned to eliminate duplicates Z: 33 49.674 2.541 0.861 0.561 0.906 0.562 CB 1.932 33 residues pruned to eliminate duplicates Z: 70 73.389 2.399 0.885 0.653 0.971 0.696 CB 1.745 70 residues pruned to eliminate duplicates Z: 70 78.566 2.417 0.932 0.653 0.971 0.696 CB 1.808 70 residues pruned to eliminate duplicates Z: 58 59.645 2.493 0.820 0.523 0.930 0.561 CB 1.831 58 residues pruned to eliminate duplicates Z: 35 45.668 2.445 0.836 0.510 0.912 0.529 CB 1.895 35 residues pruned to eliminate duplicates Z: 66 65.084 2.538 0.844 0.548 0.877 0.631 CB 1.876 66 residues pruned to eliminate duplicates Z: 73 56.178 2.275 0.796 0.558 0.903 0.611 CB 1.696 73 residues pruned to eliminate duplicates Z: 24 44.365 2.509 0.988 0.516 0.957 0.522 CB 1.909 24 residues pruned to eliminate duplicates Z: 68 68.648 2.392 0.925 0.609 0.910 0.701 CB 1.804 68 residues pruned to eliminate duplicates Z: 39 39.860 2.382 0.771 0.425 0.921 0.447 CB 1.799 39 residues pruned to eliminate duplicates Z: 59 58.939 2.521 0.921 0.512 0.897 0.569 CB 1.761 59 residues pruned to eliminate duplicates Z: 79 62.880 2.356 0.840 0.518 0.910 0.551 CB 1.772 79 residues pruned to eliminate duplicates Z: 65 77.201 2.398 0.976 0.640 0.969 0.734 CB 1.843 66 residues pruned to eliminate duplicates Z: 6 5.614 1.697 0.249 0.451 0.800 0.000 C 1.557 6 residues pruned to eliminate duplicates Z: 89 49.317 2.274 0.589 0.473 0.898 0.591 CB 1.666 89 residues pruned to eliminate duplicates Z: 38 39.832 2.387 0.746 0.452 0.973 0.541 CB 1.695 38 residues pruned to eliminate duplicates Z: 39 38.350 2.354 0.766 0.426 0.947 0.474 CB 1.706 39 residues pruned to eliminate duplicates Z: 14 9.459 1.892 0.528 0.214 0.846 0.462 CB 1.502 14 residues pruned to eliminate duplicates Z: 103 87.699 2.436 0.900 0.600 0.961 0.657 CB 1.775 103 residues pruned to eliminate duplicates Z: 28 49.129 2.557 0.915 0.553 0.926 0.667 CB 1.981 28 residues pruned to eliminate duplicates Z: 31 34.843 2.411 0.745 0.431 0.867 0.367 CB 1.873 31 residues pruned to eliminate duplicates Z: 32 44.433 2.533 0.736 0.535 0.903 0.548 CB 1.942 32 residues pruned to eliminate duplicates Z: 36 46.777 2.500 0.724 0.522 0.971 0.543 CB 1.847 36 residues pruned to eliminate duplicates Z: 39 38.614 2.393 0.758 0.464 0.868 0.658 CB 1.778 39 residues pruned to eliminate duplicates Z: 26 37.478 2.513 0.702 0.508 0.920 0.680 CB 1.891 26 residues pruned to eliminate duplicates Z: 29 55.961 2.603 0.957 0.608 0.929 0.643 CB 2.019 29 residues pruned to eliminate duplicates Z: 28 42.682 2.578 0.819 0.559 0.889 0.593 CB 1.860 28 residues pruned to eliminate duplicates Z: 67 66.924 2.530 0.838 0.541 0.909 0.606 CB 1.872 67 residues pruned to eliminate duplicates Z: 36 44.999 2.484 0.755 0.500 0.943 0.571 CB 1.850 36 residues pruned to eliminate duplicates Z: 36 38.311 2.407 0.777 0.454 0.886 0.571 CB 1.793 36 residues pruned to eliminate duplicates Z: 103 89.557 2.458 0.877 0.622 0.951 0.657 CB 1.802 103 residues pruned to eliminate duplicates Z: 64 44.048 2.229 0.544 0.548 0.952 0.651 CB 1.616 64 residues pruned to eliminate duplicates Z: 13 23.232 2.436 0.641 0.457 0.917 0.417 CB 1.914 13 residues pruned to eliminate duplicates Z: 29 51.302 2.537 1.053 0.495 0.929 0.679 CB 2.014 29 residues pruned to eliminate duplicates Z: 42 43.370 2.387 0.710 0.500 0.902 0.683 CB 1.839 42 residues pruned to eliminate duplicates Z: 36 16.039 1.932 0.203 0.497 0.886 0.629 CB 1.321 36 residues pruned to eliminate duplicates Z: 37 47.823 2.437 0.907 0.505 0.944 0.750 CB 1.807 37 residues pruned to eliminate duplicates Z: 33 42.182 2.367 1.033 0.491 0.906 0.688 CB 1.725 33 residues pruned to eliminate duplicates Z: 35 28.030 2.269 0.862 0.390 0.794 0.471 CB 1.610 35 residues pruned to eliminate duplicates Z: 33 32.367 2.324 0.905 0.426 0.781 0.562 CB 1.786 33 residues pruned to eliminate duplicates Z: 30 41.089 2.489 0.774 0.506 0.862 0.552 CB 1.993 30 residues pruned to eliminate duplicates Z: 33 45.104 2.481 0.852 0.499 0.938 0.500 CB 1.853 33 residues pruned to eliminate duplicates Z: 9 10.719 2.278 0.342 0.416 0.750 0.625 CB 1.805 9 residues pruned to eliminate duplicates Z: 16 11.909 2.174 0.581 0.338 0.867 0.600 CB 1.232 16 residues pruned to eliminate duplicates Z: 74 67.039 2.461 0.771 0.527 0.945 0.548 CB 1.854 74 residues pruned to eliminate duplicates Z: 28 48.469 2.595 0.902 0.538 0.926 0.519 CB 1.966 28 residues pruned to eliminate duplicates Z: 36 43.794 2.543 0.820 0.493 0.829 0.629 CB 1.944 36 residues pruned to eliminate duplicates Z: 31 41.337 2.485 0.838 0.550 0.867 0.700 CB 1.815 31 residues pruned to eliminate duplicates Z: 94 62.599 2.445 0.632 0.518 0.925 0.710 CB 1.729 94 residues pruned to eliminate duplicates Z: 130 65.502 2.337 0.611 0.504 0.907 0.698 CB 1.682 130 residues pruned to eliminate duplicates Z: 102 58.610 2.395 0.513 0.490 0.931 0.614 CB 1.747 102 residues pruned to eliminate duplicates Z: 31 27.481 2.424 0.622 0.424 0.833 0.667 CB 1.657 31 residues pruned to eliminate duplicates Z: 59 72.297 2.425 1.031 0.644 0.948 0.707 CB 1.776 62 residues pruned to eliminate duplicates Z: 13 34.165 2.400 0.641 0.801 1.000 0.667 CB 1.924 13 residues pruned to eliminate duplicates Z: 95 77.413 2.398 0.898 0.576 0.926 0.617 CB 1.762 95 residues pruned to eliminate duplicates Z: 135 86.935 2.346 0.790 0.596 0.963 0.649 CB 1.694 135 residues pruned to eliminate duplicates Z: 20 43.668 2.695 0.795 0.556 0.947 0.632 CB 2.070 20 residues pruned to eliminate duplicates Z: 110 68.041 2.335 0.705 0.540 0.908 0.688 CB 1.732 110 residues pruned to eliminate duplicates Z: 67 67.451 2.399 0.917 0.617 0.909 0.712 CB 1.777 66 residues pruned to eliminate duplicates Z: 14 32.399 2.602 0.920 0.611 0.846 0.615 CB 1.914 14 residues pruned to eliminate duplicates Z: 42 32.900 2.449 0.583 0.389 0.829 0.512 CB 1.797 42 residues pruned to eliminate duplicates Z: 61 67.894 2.387 0.913 0.647 0.933 0.750 CB 1.794 61 residues pruned to eliminate duplicates Z: 7 11.696 2.065 0.551 0.493 1.000 0.667 CA 1.501 7 residues pruned to eliminate duplicates Z: 63 70.585 2.370 0.996 0.641 0.919 0.710 CB 1.807 63 residues pruned to eliminate duplicates Z: 6 5.477 1.753 0.579 0.323 1.000 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 82 52.683 2.337 0.535 0.506 0.926 0.593 CB 1.753 82 residues pruned to eliminate duplicates Z: 106 76.958 2.443 0.774 0.575 0.886 0.657 CB 1.820 106 residues pruned to eliminate duplicates Z: 80 71.418 2.398 0.953 0.606 0.911 0.722 CB 1.703 78 residues pruned to eliminate duplicates Z: 8 2.763 1.725 0.350 0.357 0.714 0.143 CB 0.733 8 residues pruned to eliminate duplicates Z: 65 55.519 2.408 0.612 0.563 0.938 0.719 CB 1.794 65 residues pruned to eliminate duplicates Z: 60 59.378 2.471 0.755 0.519 0.932 0.593 CB 1.876 60 residues pruned to eliminate duplicates Z: 87 62.908 2.302 0.632 0.571 0.977 0.663 CB 1.727 87 residues pruned to eliminate duplicates Z: 128 88.085 2.396 0.809 0.600 0.921 0.748 CB 1.779 128 residues pruned to eliminate duplicates Z: 37 44.812 2.461 0.743 0.514 0.889 0.556 CB 1.932 37 residues pruned to eliminate duplicates Z: 66 53.832 2.391 0.578 0.548 0.938 0.662 CB 1.799 66 residues pruned to eliminate duplicates Z: 136 86.686 2.331 0.787 0.595 0.948 0.719 CB 1.726 136 residues pruned to eliminate duplicates Z: 85 60.848 2.286 0.829 0.568 0.905 0.690 CB 1.643 81 residues pruned to eliminate duplicates Z: 7 7.041 1.894 0.514 0.408 0.833 0.667 CA 1.325 7 residues pruned to eliminate duplicates Z: 68 56.034 2.416 0.612 0.545 0.910 0.701 CB 1.846 68 residues pruned to eliminate duplicates Z: 34 36.120 2.293 0.709 0.489 0.939 0.727 CB 1.728 34 residues pruned to eliminate duplicates Z: 153 90.384 2.339 0.767 0.589 0.947 0.737 CB 1.719 153 residues pruned to eliminate duplicates Z: 68 52.696 2.392 0.569 0.517 0.910 0.687 CB 1.853 68 residues pruned to eliminate duplicates Z: 128 91.434 2.409 0.816 0.601 0.937 0.709 CB 1.799 128 residues pruned to eliminate duplicates Z: 72 55.221 2.413 0.546 0.533 0.930 0.690 CB 1.830 72 residues pruned to eliminate duplicates Z: 40 46.980 2.489 0.653 0.510 0.923 0.641 CB 1.960 40 residues pruned to eliminate duplicates Z: 79 61.670 2.374 0.669 0.548 0.923 0.679 CB 1.821 79 residues pruned to eliminate duplicates Z: 75 57.222 2.341 0.632 0.553 0.932 0.730 CB 1.774 75 residues pruned to eliminate duplicates Z: 98 85.370 2.436 0.848 0.605 0.938 0.660 CB 1.856 98 residues pruned to eliminate duplicates Z: 38 37.843 2.400 0.622 0.490 0.865 0.622 CB 1.867 38 residues pruned to eliminate duplicates Z: 87 62.780 2.448 0.543 0.565 0.907 0.744 CB 1.856 87 residues pruned to eliminate duplicates Z: 74 53.703 2.372 0.570 0.519 0.932 0.671 CB 1.778 74 residues pruned to eliminate duplicates Z: 45 36.374 2.303 0.417 0.559 0.932 0.682 CB 1.702 45 residues pruned to eliminate duplicates Z: 48 35.854 2.229 0.447 0.538 0.915 0.702 CB 1.708 48 residues pruned to eliminate duplicates Z: 47 38.184 2.286 0.515 0.538 0.913 0.696 CB 1.715 47 residues pruned to eliminate duplicates Z: 45 41.831 2.337 0.515 0.571 0.932 0.795 CB 1.784 45 residues pruned to eliminate duplicates Z: 66 53.869 2.387 0.542 0.558 0.938 0.708 CB 1.828 66 residues pruned to eliminate duplicates Z: 71 54.828 2.385 0.588 0.546 0.929 0.657 CB 1.783 71 residues pruned to eliminate duplicates Z: 44 50.240 2.513 0.778 0.505 0.907 0.721 CB 1.881 44 residues pruned to eliminate duplicates Z: 126 89.706 2.407 0.791 0.611 0.944 0.672 CB 1.774 132 residues pruned to eliminate duplicates Z: 6 5.403 1.734 0.775 0.388 0.800 0.800 CB 1.105 6 residues pruned to eliminate duplicates Z: 128 92.166 2.409 0.840 0.602 0.929 0.709 CB 1.802 128 residues pruned to eliminate duplicates Z: 66 50.015 2.393 0.526 0.543 0.938 0.723 CB 1.735 66 residues pruned to eliminate duplicates Z: 44 41.990 2.318 0.612 0.565 0.907 0.744 CB 1.774 44 residues pruned to eliminate duplicates Z: 45 48.627 2.485 0.665 0.498 0.932 0.705 CB 1.905 45 residues pruned to eliminate duplicates Z: 57 51.390 2.336 0.686 0.563 0.946 0.679 CB 1.733 57 residues pruned to eliminate duplicates Z: 130 92.024 2.385 0.852 0.614 0.946 0.721 CB 1.741 130 residues pruned to eliminate duplicates Z: 44 43.555 2.329 0.659 0.570 0.907 0.721 CB 1.771 44 residues pruned to eliminate duplicates Z: 89 68.708 2.429 0.673 0.557 0.943 0.716 CB 1.808 89 residues pruned to eliminate duplicates Z: 72 58.641 2.376 0.750 0.550 0.915 0.676 CB 1.742 72 residues pruned to eliminate duplicates Z: 32 39.472 2.295 0.652 0.638 1.000 0.645 CB 1.644 32 residues pruned to eliminate duplicates Z: 36 30.665 2.175 0.452 0.587 0.971 0.686 CB 1.554 36 residues pruned to eliminate duplicates Z: 32 35.744 2.267 0.696 0.624 0.935 0.806 CB 1.588 32 residues pruned to eliminate duplicates Z: 32 34.086 2.288 0.615 0.622 0.935 0.774 CB 1.579 32 residues pruned to eliminate duplicates Z: 37 34.077 2.158 0.715 0.578 0.889 0.750 CB 1.602 37 residues pruned to eliminate duplicates Z: 22 31.870 2.219 0.665 0.705 0.952 0.714 CB 1.640 22 residues pruned to eliminate duplicates Z: 35 36.126 2.201 0.718 0.600 0.941 0.588 CB 1.583 35 residues pruned to eliminate duplicates Z: 32 39.235 2.281 0.697 0.625 0.968 0.710 CB 1.672 32 residues pruned to eliminate duplicates Z: 45 49.989 2.288 0.767 0.593 0.932 0.705 CB 1.830 45 residues pruned to eliminate duplicates Z: 79 55.854 2.296 0.689 0.566 0.910 0.718 CB 1.681 79 residues pruned to eliminate duplicates Z: 37 35.610 2.174 0.699 0.553 0.944 0.583 CB 1.615 37 residues pruned to eliminate duplicates Z: 126 94.942 2.422 0.933 0.610 0.912 0.696 CB 1.791 126 residues pruned to eliminate duplicates Z: 66 59.449 2.378 0.754 0.556 0.954 0.662 CB 1.754 66 residues pruned to eliminate duplicates Z: 32 40.196 2.300 0.766 0.608 0.968 0.742 CB 1.658 32 residues pruned to eliminate duplicates Z: 37 37.936 2.226 0.756 0.568 0.972 0.806 CB 1.558 37 residues pruned to eliminate duplicates Z: 32 38.176 2.310 0.739 0.599 0.935 0.645 CB 1.660 32 residues pruned to eliminate duplicates Z: 70 65.528 2.413 0.820 0.571 0.942 0.696 CB 1.780 70 residues pruned to eliminate duplicates Z: 23 33.062 2.158 0.874 0.720 0.955 0.636 CB 1.497 23 residues pruned to eliminate duplicates Z: 32 40.604 2.290 0.899 0.623 0.935 0.613 CB 1.596 32 residues pruned to eliminate duplicates Z: 37 36.406 2.222 0.832 0.549 0.917 0.639 CB 1.550 37 residues pruned to eliminate duplicates Z: 44 50.748 2.154 0.927 0.696 0.977 0.744 CB 1.596 44 residues pruned to eliminate duplicates Z: 22 28.596 2.102 0.771 0.673 0.905 0.810 CB 1.580 22 residues pruned to eliminate duplicates Z: 22 29.540 2.191 0.839 0.646 0.905 0.667 CB 1.543 22 residues pruned to eliminate duplicates Z: 40 37.759 2.233 0.886 0.555 0.897 0.615 CB 1.517 40 residues pruned to eliminate duplicates Z: 26 29.857 2.191 0.834 0.591 0.880 0.720 CB 1.547 26 residues pruned to eliminate duplicates Z: 21 31.275 2.163 0.836 0.634 0.950 0.700 CB 1.634 21 residues pruned to eliminate duplicates Z: 91 65.661 2.306 0.810 0.567 0.911 0.689 CB 1.706 91 residues pruned to eliminate duplicates Z: 26 26.582 1.912 0.848 0.569 0.960 0.720 CB 1.466 26 residues pruned to eliminate duplicates Z: 25 30.621 2.043 0.785 0.601 0.958 0.625 CB 1.625 25 residues pruned to eliminate duplicates Z: 21 24.851 2.176 0.583 0.631 0.900 0.650 CB 1.584 21 residues pruned to eliminate duplicates Z: 21 25.866 2.022 0.661 0.594 0.950 0.700 CB 1.657 21 residues pruned to eliminate duplicates Z: 21 30.423 2.206 0.719 0.660 0.950 0.700 CB 1.628 21 residues pruned to eliminate duplicates Z: 39 38.503 2.229 0.861 0.576 0.921 0.684 CB 1.519 37 residues pruned to eliminate duplicates Z: 13 22.443 1.883 0.793 0.927 1.000 0.917 CA 1.345 13 residues pruned to eliminate duplicates Z: 29 28.904 2.174 0.862 0.519 0.857 0.607 CB 1.545 29 residues pruned to eliminate duplicates Z: 21 33.133 2.170 0.821 0.682 0.950 0.850 CA 1.671 21 residues pruned to eliminate duplicates Z: 16 21.248 1.905 0.709 0.733 0.933 0.733 CA 1.463 16 residues pruned to eliminate duplicates Z: 16 19.086 1.833 0.677 0.674 0.933 0.800 CA 1.464 16 residues pruned to eliminate duplicates Z: 26 24.971 2.124 0.668 0.545 0.880 0.640 CB 1.532 26 residues pruned to eliminate duplicates Z: 29 25.903 2.183 0.748 0.517 0.821 0.679 CB 1.536 29 residues pruned to eliminate duplicates Z: 27 29.297 2.185 0.864 0.557 0.923 0.654 CB 1.446 27 residues pruned to eliminate duplicates Z: 39 43.288 2.253 0.937 0.611 0.921 0.816 CB 1.572 39 residues pruned to eliminate duplicates Z: 26 28.407 2.178 0.781 0.579 0.920 0.680 CB 1.476 26 residues pruned to eliminate duplicates Z: 20 24.421 2.272 0.966 0.460 0.895 0.632 CB 1.460 21 residues pruned to eliminate duplicates Z: 6 6.038 1.938 0.751 0.423 0.800 0.800 CB 1.077 6 residues pruned to eliminate duplicates Z: 38 39.021 2.263 0.803 0.612 0.892 0.703 CB 1.586 38 residues pruned to eliminate duplicates Z: 16 18.910 2.168 0.589 0.618 0.867 0.600 CB 1.463 16 residues pruned to eliminate duplicates Z: 38 35.549 2.210 0.815 0.551 0.919 0.595 CB 1.509 38 residues pruned to eliminate duplicates Z: 7 6.185 1.724 0.416 0.407 0.833 0.667 C 1.369 7 residues pruned to eliminate duplicates Z: 12 23.988 2.278 0.884 0.636 0.909 0.727 CB 1.632 12 residues pruned to eliminate duplicates Z: 20 20.373 2.275 0.944 0.414 0.842 0.579 CB 1.373 20 residues pruned to eliminate duplicates Z: 10 20.755 2.114 1.159 0.642 0.889 0.889 CB 1.494 10 residues pruned to eliminate duplicates Z: 105 79.484 2.298 0.916 0.601 0.933 0.692 CB 1.723 105 residues pruned to eliminate duplicates Z: 61 75.943 2.417 0.954 0.662 0.950 0.717 CB 1.881 61 residues pruned to eliminate duplicates Z: 6 4.082 1.645 0.342 0.397 0.800 0.400 C 1.152 6 residues pruned to eliminate duplicates Z: 66 71.104 2.353 0.880 0.657 0.954 0.631 CB 1.806 66 residues pruned to eliminate duplicates Z: 44 65.871 2.435 0.943 0.685 0.930 0.721 CB 1.926 44 residues pruned to eliminate duplicates Z: 56 70.971 2.438 0.825 0.685 0.945 0.764 CB 1.920 56 residues pruned to eliminate duplicates Z: 59 69.269 2.426 0.929 0.635 0.914 0.672 CB 1.873 59 residues pruned to eliminate duplicates Z: 58 71.818 2.392 1.008 0.639 0.982 0.719 CB 1.771 58 residues pruned to eliminate duplicates Z: 59 62.829 2.306 0.941 0.623 0.914 0.707 CB 1.796 59 residues pruned to eliminate duplicates Z: 49 57.290 2.325 0.841 0.669 0.917 0.792 CB 1.802 49 residues pruned to eliminate duplicates Z: 45 63.331 2.408 0.879 0.668 0.955 0.682 CB 1.893 45 residues pruned to eliminate duplicates Z: 40 73.500 2.532 0.862 0.705 1.000 0.718 CB 2.071 40 residues pruned to eliminate duplicates Z: 47 60.957 2.347 0.860 0.697 0.957 0.652 CB 1.797 47 residues pruned to eliminate duplicates Z: 64 63.845 2.295 0.890 0.619 0.937 0.683 CB 1.770 64 residues pruned to eliminate duplicates Z: 98 78.450 2.341 0.896 0.593 0.938 0.691 CB 1.750 98 residues pruned to eliminate duplicates Z: 58 76.655 2.459 1.050 0.637 0.930 0.649 CB 1.905 58 residues pruned to eliminate duplicates Z: 58 80.240 2.435 1.075 0.642 0.965 0.649 CB 1.908 58 residues pruned to eliminate duplicates Z: 49 56.833 2.304 0.900 0.660 0.917 0.708 CB 1.763 49 residues pruned to eliminate duplicates Z: 62 84.375 2.423 1.053 0.681 0.967 0.705 CB 1.901 62 residues pruned to eliminate duplicates Z: 55 75.552 2.421 1.071 0.637 0.944 0.685 CB 1.909 55 residues pruned to eliminate duplicates Z: 44 75.517 2.476 1.030 0.683 0.977 0.767 CB 1.984 45 residues pruned to eliminate duplicates Z: 25 72.779 2.406 1.306 0.907 0.958 0.750 C 1.987 25 residues pruned to eliminate duplicates Z: 56 76.763 2.419 1.058 0.679 0.927 0.745 CB 1.901 56 residues pruned to eliminate duplicates Z: 30 41.423 2.277 1.006 0.622 0.862 0.759 CB 1.741 30 residues pruned to eliminate duplicates Z: 49 64.912 2.339 1.029 0.657 0.938 0.729 CB 1.820 49 residues pruned to eliminate duplicates Z: 44 70.044 2.441 1.084 0.669 0.930 0.698 CB 1.931 44 residues pruned to eliminate duplicates Z: 27 28.256 2.203 0.714 0.494 0.885 0.692 CB 1.668 27 residues pruned to eliminate duplicates Z: 61 73.899 2.352 1.089 0.633 0.917 0.617 CB 1.870 61 residues pruned to eliminate duplicates Z: 36 73.201 2.469 1.050 0.733 1.000 0.743 C 1.982 36 residues pruned to eliminate duplicates Z: 61 76.651 2.406 1.036 0.662 0.933 0.700 CB 1.861 61 residues pruned to eliminate duplicates Z: 38 66.935 2.486 1.001 0.691 0.919 0.730 C 2.021 38 residues pruned to eliminate duplicates Z: 56 78.677 2.431 1.042 0.671 0.945 0.709 CB 1.930 56 residues pruned to eliminate duplicates Z: 62 71.757 2.364 1.061 0.649 0.934 0.656 CB 1.757 62 residues pruned to eliminate duplicates Z: 54 81.186 2.563 1.087 0.633 0.906 0.717 CB 2.033 54 residues pruned to eliminate duplicates Z: 89 83.090 2.448 0.904 0.583 0.943 0.670 CB 1.860 89 residues pruned to eliminate duplicates Z: 139 92.071 2.412 0.834 0.581 0.935 0.645 CB 1.754 139 residues pruned to eliminate duplicates Z: 90 70.790 2.480 0.789 0.528 0.933 0.663 CB 1.765 90 residues pruned to eliminate duplicates Z: 32 59.548 2.590 1.012 0.580 0.968 0.677 CB 1.964 32 residues pruned to eliminate duplicates Z: 97 75.884 2.482 0.766 0.545 0.948 0.677 CB 1.784 97 residues pruned to eliminate duplicates Z: 99 73.659 2.473 0.768 0.543 0.929 0.622 CB 1.757 99 residues pruned to eliminate duplicates Z: 47 44.916 2.505 0.783 0.470 0.891 0.652 CB 1.714 47 residues pruned to eliminate duplicates Z: 36 46.173 2.566 0.878 0.497 0.914 0.686 CB 1.776 36 residues pruned to eliminate duplicates Z: 44 52.157 2.468 0.909 0.539 0.907 0.558 CB 1.791 44 residues pruned to eliminate duplicates Z: 105 70.490 2.457 0.779 0.535 0.894 0.635 CB 1.708 105 residues pruned to eliminate duplicates Z: 85 69.348 2.489 0.785 0.524 0.929 0.619 CB 1.792 85 residues pruned to eliminate duplicates Z: 90 72.282 2.474 0.779 0.556 0.910 0.697 CB 1.811 90 residues pruned to eliminate duplicates Z: 96 72.403 2.485 0.722 0.552 0.916 0.695 CB 1.803 96 residues pruned to eliminate duplicates Z: 98 75.569 2.473 0.737 0.541 0.959 0.701 CB 1.789 98 residues pruned to eliminate duplicates Z: 71 78.053 2.492 0.907 0.582 0.943 0.657 CB 1.924 71 residues pruned to eliminate duplicates Z: 97 72.254 2.469 0.788 0.533 0.938 0.688 CB 1.725 97 residues pruned to eliminate duplicates Z: 66 57.246 2.444 0.765 0.536 0.908 0.631 CB 1.751 66 residues pruned to eliminate duplicates Z: 154 96.424 2.422 0.845 0.575 0.895 0.693 CB 1.813 154 residues pruned to eliminate duplicates Z: 117 78.110 2.435 0.747 0.553 0.948 0.681 CB 1.707 117 residues pruned to eliminate duplicates Z: 99 73.027 2.463 0.763 0.528 0.929 0.714 CB 1.781 99 residues pruned to eliminate duplicates Z: 16 12.009 2.191 0.505 0.313 0.867 0.467 CB 1.334 16 residues pruned to eliminate duplicates Z: 65 76.550 2.523 0.955 0.573 0.953 0.656 CB 1.896 65 residues pruned to eliminate duplicates Z: 54 63.482 2.530 0.932 0.543 0.943 0.604 CB 1.813 54 residues pruned to eliminate duplicates Z: 16 13.082 2.043 0.846 0.325 0.800 0.600 CB 1.357 16 residues pruned to eliminate duplicates Z: 97 73.756 2.447 0.823 0.547 0.927 0.646 CB 1.738 97 residues pruned to eliminate duplicates Z: 98 69.223 2.450 0.755 0.519 0.918 0.670 CB 1.748 98 residues pruned to eliminate duplicates Z: 77 46.868 2.331 0.597 0.486 0.882 0.618 CB 1.662 77 residues pruned to eliminate duplicates Z: 84 68.738 2.505 0.745 0.542 0.916 0.651 CB 1.809 84 residues pruned to eliminate duplicates Z: 85 60.667 2.466 0.665 0.490 0.917 0.631 CB 1.776 85 residues pruned to eliminate duplicates Z: 40 41.916 2.487 0.793 0.424 0.897 0.590 CB 1.815 40 residues pruned to eliminate duplicates Z: 52 37.463 2.305 0.685 0.429 0.882 0.569 CB 1.648 52 residues pruned to eliminate duplicates Z: 31 35.619 2.302 0.780 0.514 0.967 0.733 CB 1.618 31 residues pruned to eliminate duplicates Z: 67 51.871 2.393 0.589 0.521 0.955 0.682 CB 1.724 67 residues pruned to eliminate duplicates Z: 69 69.634 2.472 0.929 0.535 0.912 0.544 CB 1.876 69 residues pruned to eliminate duplicates Z: 67 51.768 2.422 0.602 0.541 0.939 0.773 CB 1.680 67 residues pruned to eliminate duplicates Z: 118 73.213 2.376 0.797 0.516 0.923 0.641 CB 1.690 118 residues pruned to eliminate duplicates Z: 67 54.326 2.405 0.795 0.479 0.909 0.621 CB 1.740 67 residues pruned to eliminate duplicates Z: 31 31.995 2.269 0.727 0.514 0.933 0.600 CB 1.576 31 residues pruned to eliminate duplicates Z: 97 75.023 2.474 0.752 0.538 0.948 0.656 CB 1.795 97 residues pruned to eliminate duplicates Z: 26 23.811 2.053 0.638 0.498 0.840 0.640 C 1.689 26 residues pruned to eliminate duplicates Z: 42 39.105 2.311 0.725 0.488 0.902 0.634 CB 1.718 42 residues pruned to eliminate duplicates Z: 56 45.829 2.367 0.557 0.549 0.945 0.673 CB 1.690 56 residues pruned to eliminate duplicates Z: 55 55.418 2.427 0.719 0.583 0.944 0.759 CB 1.767 55 residues pruned to eliminate duplicates Z: 97 76.268 2.467 0.768 0.541 0.958 0.667 CB 1.790 97 residues pruned to eliminate duplicates Z: 57 50.935 2.441 0.690 0.531 0.911 0.732 CB 1.758 57 residues pruned to eliminate duplicates Z: 60 62.928 2.457 0.901 0.534 0.932 0.712 CB 1.819 60 residues pruned to eliminate duplicates Z: 64 53.604 2.387 0.655 0.546 0.937 0.667 CB 1.745 64 residues pruned to eliminate duplicates Z: 33 35.152 2.365 0.631 0.536 0.938 0.750 CB 1.659 33 residues pruned to eliminate duplicates Z: 90 65.833 2.466 0.730 0.526 0.899 0.685 CB 1.773 90 residues pruned to eliminate duplicates Z: 64 52.520 2.380 0.698 0.521 0.937 0.635 CB 1.713 64 residues pruned to eliminate duplicates Z: 68 52.596 2.371 0.656 0.514 0.940 0.731 CB 1.717 68 residues pruned to eliminate duplicates Z: 99 69.920 2.431 0.708 0.512 0.939 0.643 CB 1.790 99 residues pruned to eliminate duplicates Z: 127 92.451 2.481 0.782 0.565 0.937 0.714 CB 1.868 127 residues pruned to eliminate duplicates Z: 97 74.153 2.475 0.762 0.518 0.938 0.719 CB 1.818 97 residues pruned to eliminate duplicates Z: 57 51.612 2.387 0.640 0.558 0.964 0.625 CB 1.727 57 residues pruned to eliminate duplicates Z: 96 79.946 2.505 0.846 0.549 0.937 0.684 CB 1.804 96 residues pruned to eliminate duplicates Z: 105 77.534 2.464 0.776 0.521 0.952 0.702 CB 1.786 105 residues pruned to eliminate duplicates Z: 85 71.677 2.487 0.866 0.525 0.905 0.714 CB 1.817 85 residues pruned to eliminate duplicates Z: 35 38.187 2.479 0.597 0.559 0.853 0.706 CB 1.831 35 residues pruned to eliminate duplicates Z: 96 73.390 2.485 0.763 0.538 0.926 0.674 CB 1.788 96 residues pruned to eliminate duplicates Z: 45 38.801 2.336 0.774 0.482 0.864 0.659 CB 1.664 45 residues pruned to eliminate duplicates Z: 57 53.211 2.392 0.770 0.584 0.893 0.714 CB 1.735 57 residues pruned to eliminate duplicates Z: 83 70.923 2.506 0.830 0.519 0.927 0.683 CB 1.808 83 residues pruned to eliminate duplicates Z: 35 40.115 2.416 0.660 0.569 0.941 0.706 CB 1.705 35 residues pruned to eliminate duplicates Z: 37 39.884 2.374 0.712 0.560 0.917 0.694 CB 1.683 37 residues pruned to eliminate duplicates Z: 53 46.515 2.402 0.741 0.506 0.904 0.654 CB 1.696 53 residues pruned to eliminate duplicates Z: 96 81.197 2.492 0.879 0.558 0.926 0.726 CB 1.815 96 residues pruned to eliminate duplicates Z: 23 35.433 2.386 0.943 0.507 0.955 0.591 CB 1.695 23 residues pruned to eliminate duplicates Z: 87 80.462 2.535 0.868 0.537 0.953 0.651 CB 1.853 87 residues pruned to eliminate duplicates Z: 68 55.814 2.399 0.789 0.520 0.940 0.672 CB 1.656 68 residues pruned to eliminate duplicates Z: 151 106.486 2.445 0.944 0.598 0.927 0.740 CB 1.798 151 residues pruned to eliminate duplicates Z: 74 63.466 2.447 0.791 0.545 0.945 0.699 CB 1.715 74 residues pruned to eliminate duplicates Z: 42 41.938 2.434 0.802 0.520 0.878 0.634 CB 1.666 42 residues pruned to eliminate duplicates Z: 48 51.659 2.390 0.758 0.631 0.936 0.638 CB 1.694 48 residues pruned to eliminate duplicates Z: 79 66.427 2.390 0.875 0.527 0.936 0.628 CB 1.747 79 residues pruned to eliminate duplicates Z: 64 49.428 2.269 0.870 0.554 0.857 0.556 CB 1.625 64 residues pruned to eliminate duplicates Z: 25 38.269 2.379 0.668 0.690 0.958 0.667 CB 1.726 25 residues pruned to eliminate duplicates Z: 58 51.497 2.342 0.775 0.548 0.912 0.667 CB 1.717 58 residues pruned to eliminate duplicates Z: 25 41.782 2.401 0.797 0.672 0.958 0.792 CB 1.761 25 residues pruned to eliminate duplicates Z: 37 47.573 2.393 0.833 0.588 0.944 0.639 CB 1.758 37 residues pruned to eliminate duplicates Z: 93 71.147 2.438 0.871 0.513 0.913 0.587 CB 1.758 93 residues pruned to eliminate duplicates Z: 34 51.172 2.469 0.950 0.613 0.909 0.667 CB 1.829 34 residues pruned to eliminate duplicates Z: 34 48.218 2.470 0.869 0.580 0.939 0.515 CB 1.793 34 residues pruned to eliminate duplicates Z: 39 39.699 2.227 0.776 0.648 0.947 0.605 CB 1.497 39 residues pruned to eliminate duplicates Z: 54 58.695 2.398 0.920 0.589 0.943 0.547 CB 1.704 54 residues pruned to eliminate duplicates Z: 38 45.703 2.382 0.841 0.588 0.946 0.595 CB 1.664 38 residues pruned to eliminate duplicates Z: 42 28.980 2.296 0.515 0.405 0.927 0.585 CB 1.552 42 residues pruned to eliminate duplicates Z: 67 67.319 2.408 0.973 0.531 0.970 0.652 CB 1.744 67 residues pruned to eliminate duplicates Z: 64 67.457 2.447 1.001 0.574 0.921 0.635 CB 1.756 64 residues pruned to eliminate duplicates Z: 31 50.961 2.455 0.885 0.624 1.000 0.633 CB 1.789 31 residues pruned to eliminate duplicates Z: 10 20.784 2.050 1.385 0.510 0.889 0.778 CB 1.579 10 residues pruned to eliminate duplicates Z: 74 77.028 2.412 0.946 0.634 0.959 0.699 CB 1.767 74 residues pruned to eliminate duplicates Z: 36 36.660 2.215 0.779 0.574 0.914 0.629 CB 1.601 36 residues pruned to eliminate duplicates Z: 26 38.240 2.287 1.011 0.635 0.880 0.760 CB 1.666 26 residues pruned to eliminate duplicates Z: 78 79.921 2.444 1.017 0.612 0.948 0.701 CB 1.753 78 residues pruned to eliminate duplicates Z: 60 60.216 2.389 0.970 0.583 0.915 0.610 CB 1.681 60 residues pruned to eliminate duplicates Z: 74 68.832 2.403 0.963 0.550 0.945 0.644 CB 1.720 74 residues pruned to eliminate duplicates Z: 44 57.512 2.354 1.039 0.634 0.953 0.581 CB 1.690 44 residues pruned to eliminate duplicates Z: 35 29.400 2.018 1.052 0.484 0.824 0.588 CB 1.502 35 residues pruned to eliminate duplicates Z: 86 71.689 2.410 0.931 0.570 0.906 0.671 CB 1.723 86 residues pruned to eliminate duplicates Z: 26 33.432 2.329 0.884 0.572 0.880 0.520 CB 1.616 26 residues pruned to eliminate duplicates Z: 26 41.600 2.361 1.114 0.606 0.880 0.720 CB 1.712 26 residues pruned to eliminate duplicates Z: 69 66.797 2.418 1.043 0.575 0.912 0.618 CB 1.673 69 residues pruned to eliminate duplicates Z: 29 38.862 2.340 0.977 0.538 0.929 0.679 CB 1.647 29 residues pruned to eliminate duplicates Z: 27 38.916 2.321 1.059 0.592 0.885 0.615 CB 1.653 27 residues pruned to eliminate duplicates Z: 73 63.893 2.366 0.995 0.558 0.917 0.597 CB 1.645 73 residues pruned to eliminate duplicates Z: 26 42.079 2.389 1.110 0.603 0.920 0.840 CB 1.645 26 residues pruned to eliminate duplicates Z: 60 58.420 2.393 0.934 0.563 0.932 0.593 CB 1.660 60 residues pruned to eliminate duplicates Z: 59 56.420 2.391 0.956 0.579 0.897 0.621 CB 1.638 59 residues pruned to eliminate duplicates Z: 120 87.107 2.455 0.909 0.549 0.916 0.605 CB 1.773 120 residues pruned to eliminate duplicates Z: 106 77.605 2.393 0.934 0.523 0.943 0.629 CB 1.697 106 residues pruned to eliminate duplicates Z: 28 38.845 2.272 1.119 0.570 0.889 0.593 CB 1.633 28 residues pruned to eliminate duplicates Z: 60 56.123 2.406 0.860 0.573 0.915 0.627 CB 1.663 60 residues pruned to eliminate duplicates Z: 42 44.546 2.389 0.885 0.526 0.927 0.634 CB 1.625 42 residues pruned to eliminate duplicates Z: 104 82.331 2.459 0.895 0.565 0.951 0.660 CB 1.719 104 residues pruned to eliminate duplicates Z: 108 75.737 2.392 0.890 0.540 0.944 0.636 CB 1.650 108 residues pruned to eliminate duplicates Z: 17 26.760 2.328 0.888 0.548 0.875 0.688 CB 1.660 17 residues pruned to eliminate duplicates Z: 17 24.018 2.266 0.714 0.522 0.938 0.500 CB 1.614 17 residues pruned to eliminate duplicates Z: 22 23.767 2.292 0.789 0.510 0.810 0.714 CB 1.548 22 residues pruned to eliminate duplicates Z: 16 28.846 2.456 0.941 0.524 0.867 0.667 CB 1.761 16 residues pruned to eliminate duplicates Z: 74 59.382 2.349 0.984 0.578 0.849 0.534 CB 1.629 74 residues pruned to eliminate duplicates Z: 22 22.765 2.390 0.819 0.521 0.762 0.571 CB 1.468 22 residues pruned to eliminate duplicates Z: 107 76.113 2.399 0.928 0.562 0.906 0.670 CB 1.661 107 residues pruned to eliminate duplicates Z: 15 21.415 2.381 0.767 0.582 0.786 0.714 CB 1.599 15 residues pruned to eliminate duplicates Z: 16 28.097 2.376 0.887 0.608 0.867 0.667 CB 1.685 16 residues pruned to eliminate duplicates Z: 107 79.870 2.417 0.949 0.561 0.925 0.689 CB 1.679 107 residues pruned to eliminate duplicates Z: 14 22.571 2.235 0.893 0.546 0.846 0.769 CB 1.673 14 residues pruned to eliminate duplicates Z: 16 34.094 2.399 0.966 0.668 0.933 0.733 CB 1.712 16 residues pruned to eliminate duplicates 622 residues left after pruning, divided into chains as follows: A: 17 B: 37 C: 71 D: 154 E: 13 F: 165 G: 165 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 36.28 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.506, Connect. = 0.749 for dens.mod. cycle 1 = 0.300, Contrast = 0.580, Connect. = 0.777 for dens.mod. cycle 2 = 0.300, Contrast = 0.695, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.710, Connect. = 0.812 for dens.mod. cycle 4 = 0.300, Contrast = 0.726, Connect. = 0.815 for dens.mod. cycle 5 = 0.300, Contrast = 0.736, Connect. = 0.817 for dens.mod. cycle 6 = 0.300, Contrast = 0.745, Connect. = 0.819 for dens.mod. cycle 7 = 0.300, Contrast = 0.752, Connect. = 0.820 for dens.mod. cycle 8 = 0.300, Contrast = 0.758, Connect. = 0.821 for dens.mod. cycle 9 = 0.300, Contrast = 0.762, Connect. = 0.821 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4229 peaks > 0.5 sigma used to seed fragment search Space for about 886 unique residues taking solvent into account 882 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 99 69.284 2.404 0.749 0.539 0.969 0.633 CB 1.654 B: 10 33.558 2.409 0.867 0.819 1.000 0.778 CB 1.886 C: 47 45.879 2.460 0.830 0.494 0.891 0.630 CB 1.696 48 residues pruned to eliminate duplicates D: 23 70.040 2.584 0.969 0.908 0.955 0.727 CA 2.183 E: 47 47.826 2.401 0.910 0.493 0.935 0.630 CB 1.656 47 residues pruned to eliminate duplicates F: 89 64.615 2.428 0.640 0.533 0.932 0.727 CB 1.796 89 residues pruned to eliminate duplicates G: 23 68.861 2.578 0.874 0.895 1.000 0.864 C 2.179 23 residues pruned to eliminate duplicates H: 22 84.049 2.711 1.147 0.931 1.000 0.857 CB 2.203 I: 23 66.567 2.555 0.977 0.893 0.955 0.682 CB 2.113 23 residues pruned to eliminate duplicates J: 23 79.209 2.589 1.173 0.924 1.000 0.818 CB 2.108 23 residues pruned to eliminate duplicates K: 10 15.156 2.272 0.108 0.791 0.889 0.778 CA 1.748 10 residues pruned to eliminate duplicates L: 22 72.325 2.653 0.864 0.928 1.000 0.857 CA 2.234 22 residues pruned to eliminate duplicates M: 23 76.320 2.583 1.134 0.907 1.000 0.682 CB 2.098 23 residues pruned to eliminate duplicates N: 10 36.913 2.276 1.298 0.876 1.000 0.889 CB 1.710 10 residues pruned to eliminate duplicates O: 10 28.862 2.385 1.028 0.801 0.889 0.667 CA 1.720 P: 22 90.922 2.704 1.320 0.931 1.000 0.905 CB 2.211 22 residues pruned to eliminate duplicates Q: 8 45.074 2.743 1.154 0.884 1.000 0.857 CB 2.083 R: 38 39.310 2.440 0.793 0.503 0.865 0.649 CB 1.703 38 residues pruned to eliminate duplicates S: 22 81.889 2.702 1.261 0.912 0.952 0.857 CB 2.175 22 residues pruned to eliminate duplicates T: 97 69.730 2.431 0.742 0.542 0.938 0.698 CB 1.720 97 residues pruned to eliminate duplicates U: 24 55.564 2.446 0.707 0.919 0.957 0.870 CB 2.045 24 residues pruned to eliminate duplicates V: 13 40.575 2.439 0.980 0.774 1.000 0.750 CA 1.903 10 residues pruned to eliminate duplicates W: 11 42.695 2.837 0.726 0.771 1.000 0.900 CB 2.169 11 residues pruned to eliminate duplicates X: 24 68.769 2.496 0.942 0.911 1.000 0.913 CB 2.096 24 residues pruned to eliminate duplicates Y: 38 39.461 2.286 0.775 0.583 0.892 0.676 CB 1.655 Z: 39 51.558 2.201 0.867 0.756 0.974 0.789 CB 1.665 Z: 23 66.330 2.586 0.823 0.923 1.000 0.909 CB 2.108 23 residues pruned to eliminate duplicates Z: 24 64.897 2.509 0.992 0.904 0.957 0.826 CA 2.015 24 residues pruned to eliminate duplicates Z: 9 42.290 2.601 1.269 0.847 1.000 0.750 CB 1.881 9 residues pruned to eliminate duplicates Z: 94 62.741 2.384 0.638 0.522 0.914 0.688 CB 1.785 23 residues pruned to eliminate duplicates Z: 23 81.981 2.602 1.257 0.918 1.000 0.818 CB 2.100 23 residues pruned to eliminate duplicates Z: 22 78.377 2.697 1.038 0.927 1.000 0.952 CB 2.180 22 residues pruned to eliminate duplicates Z: 25 64.888 2.391 1.166 0.875 0.958 0.875 C 1.940 25 residues pruned to eliminate duplicates Z: 9 18.015 2.426 0.383 0.803 0.750 0.625 N 1.943 9 residues pruned to eliminate duplicates Z: 10 28.138 2.380 0.861 0.895 1.000 0.778 CB 1.518 Z: 13 26.198 2.340 0.524 0.723 0.917 0.750 CA 1.891 13 residues pruned to eliminate duplicates Z: 12 41.883 2.668 0.870 0.783 1.000 0.818 CA 1.972 12 residues pruned to eliminate duplicates Z: 23 64.746 2.558 0.855 0.926 0.955 0.818 C 2.137 24 residues pruned to eliminate duplicates Z: 10 25.031 2.378 0.253 0.870 1.000 0.889 CA 2.044 10 residues pruned to eliminate duplicates Z: 22 58.630 2.594 0.575 0.925 1.000 0.905 CA 2.198 22 residues pruned to eliminate duplicates Z: 23 65.638 2.578 0.834 0.897 1.000 0.818 C 2.119 23 residues pruned to eliminate duplicates Z: 22 83.063 2.704 1.146 0.928 1.000 0.810 CB 2.188 22 residues pruned to eliminate duplicates Z: 24 69.776 2.489 0.994 0.931 1.000 0.913 CA 2.048 24 residues pruned to eliminate duplicates Z: 22 68.336 2.565 0.896 0.923 1.000 0.857 CA 2.156 22 residues pruned to eliminate duplicates Z: 106 79.845 2.488 0.785 0.554 0.905 0.657 CB 1.839 104 residues pruned to eliminate duplicates Z: 62 86.448 2.549 1.093 0.645 0.918 0.721 CB 1.975 54 residues pruned to eliminate duplicates Z: 23 74.604 2.575 1.014 0.908 1.000 0.727 C 2.178 23 residues pruned to eliminate duplicates Z: 19 33.401 2.357 0.462 0.857 1.000 0.833 CB 1.683 19 residues pruned to eliminate duplicates Z: 23 57.824 2.558 0.620 0.905 1.000 0.864 CA 2.116 23 residues pruned to eliminate duplicates Z: 9 33.984 2.408 1.305 0.859 0.875 0.625 CB 1.820 9 residues pruned to eliminate duplicates Z: 79 68.419 2.501 0.806 0.586 0.872 0.731 CB 1.811 78 residues pruned to eliminate duplicates Z: 32 54.471 2.266 0.916 0.790 0.968 0.710 CB 1.805 32 residues pruned to eliminate duplicates Z: 19 36.860 2.351 0.545 0.882 1.000 0.778 CB 1.731 23 residues pruned to eliminate duplicates Z: 23 49.882 2.305 0.847 0.912 0.955 0.864 CB 1.854 Z: 12 36.108 2.551 0.654 0.776 1.000 0.818 CB 2.022 12 residues pruned to eliminate duplicates Z: 9 16.655 1.977 0.643 0.797 1.000 0.875 CA 1.397 Z: 24 68.047 2.487 1.123 0.901 0.957 0.739 CA 2.005 24 residues pruned to eliminate duplicates Z: 22 83.978 2.681 1.189 0.916 1.000 0.714 CB 2.205 22 residues pruned to eliminate duplicates Z: 9 25.348 2.565 0.792 0.821 0.875 0.750 CB 1.687 9 residues pruned to eliminate duplicates Z: 11 45.712 2.791 0.813 0.766 1.000 0.800 CA 2.256 11 residues pruned to eliminate duplicates Z: 10 27.378 2.409 1.053 0.788 0.889 0.778 CA 1.611 9 residues pruned to eliminate duplicates Z: 21 41.412 2.149 0.946 0.924 0.900 0.800 CB 1.728 21 residues pruned to eliminate duplicates Z: 20 70.682 2.700 1.044 0.935 0.947 0.842 CB 2.162 20 residues pruned to eliminate duplicates Z: 63 90.603 2.538 1.109 0.669 0.952 0.694 CB 1.933 63 residues pruned to eliminate duplicates Z: 12 32.456 2.499 0.621 0.750 1.000 0.818 CB 1.933 Z: 16 34.495 2.575 0.791 0.565 1.000 0.800 CB 1.813 16 residues pruned to eliminate duplicates Z: 12 40.448 2.598 0.831 0.786 1.000 0.818 CA 1.993 12 residues pruned to eliminate duplicates Z: 23 41.157 2.168 0.817 0.872 0.955 0.818 CB 1.700 24 residues pruned to eliminate duplicates Z: 12 37.287 2.517 0.731 0.810 1.000 0.818 CB 1.970 12 residues pruned to eliminate duplicates Z: 14 23.134 2.231 0.909 0.667 0.846 0.692 CB 1.525 Z: 9 13.786 2.134 0.607 0.626 0.750 0.750 CA 1.683 9 residues pruned to eliminate duplicates Z: 35 27.379 2.177 0.707 0.549 0.853 0.647 CB 1.412 35 residues pruned to eliminate duplicates Z: 9 36.847 2.486 1.003 0.881 1.000 0.875 CB 1.894 9 residues pruned to eliminate duplicates Z: 9 20.470 2.225 0.474 0.816 1.000 0.750 CB 1.677 Z: 13 24.350 2.243 0.789 0.701 0.833 0.417 CB 1.751 13 residues pruned to eliminate duplicates Z: 23 57.016 2.315 0.991 0.920 1.000 0.727 CB 1.857 23 residues pruned to eliminate duplicates Z: 9 17.976 2.206 0.344 0.858 0.875 0.750 CA 1.805 9 residues pruned to eliminate duplicates Z: 25 64.863 2.395 1.208 0.870 0.958 0.750 C 1.907 25 residues pruned to eliminate duplicates Z: 9 15.337 1.903 0.535 0.893 0.875 0.625 CA 1.522 9 residues pruned to eliminate duplicates Z: 13 43.004 2.422 1.216 0.745 0.917 0.750 CA 2.027 13 residues pruned to eliminate duplicates Z: 9 23.382 2.520 0.288 0.878 1.000 0.875 CB 1.850 9 residues pruned to eliminate duplicates Z: 11 29.296 2.233 0.864 0.847 1.000 0.800 CB 1.653 11 residues pruned to eliminate duplicates Z: 33 43.943 2.485 0.763 0.541 0.938 0.656 CB 1.816 21 residues pruned to eliminate duplicates Z: 10 28.445 2.304 0.704 0.874 0.889 0.889 C 1.978 10 residues pruned to eliminate duplicates Z: 16 18.317 2.246 0.623 0.373 0.867 0.600 CB 1.714 Z: 12 37.531 2.370 0.842 0.923 1.000 0.909 CA 1.822 Z: 12 31.595 2.499 0.586 0.795 1.000 0.818 CB 1.856 12 residues pruned to eliminate duplicates Z: 23 55.573 2.529 0.616 0.930 0.955 0.909 CA 2.123 23 residues pruned to eliminate duplicates Z: 129 97.548 2.465 0.809 0.607 0.945 0.727 CB 1.849 128 residues pruned to eliminate duplicates Z: 22 48.830 2.496 0.541 0.868 0.952 0.857 CA 2.126 22 residues pruned to eliminate duplicates Z: 11 20.387 2.146 0.405 0.796 0.900 0.600 C 1.832 11 residues pruned to eliminate duplicates Z: 65 57.317 2.385 0.650 0.551 0.969 0.672 CB 1.788 65 residues pruned to eliminate duplicates Z: 24 62.481 2.472 0.863 0.931 1.000 0.957 CB 1.977 24 residues pruned to eliminate duplicates Z: 18 38.000 2.351 0.603 0.890 0.941 0.941 CB 1.869 18 residues pruned to eliminate duplicates Z: 9 12.392 2.151 0.460 0.704 0.750 0.625 CB 1.546 9 residues pruned to eliminate duplicates Z: 23 49.002 2.327 0.763 0.920 0.955 0.864 CB 1.879 23 residues pruned to eliminate duplicates Z: 22 48.214 2.399 0.679 0.923 0.952 0.810 CB 1.928 22 residues pruned to eliminate duplicates Z: 9 16.856 1.979 0.687 0.769 1.000 0.750 CA 1.407 9 residues pruned to eliminate duplicates Z: 8 7.397 1.963 0.344 0.759 0.571 0.571 CA 1.473 Z: 38 36.952 2.398 0.627 0.514 0.919 0.676 CB 1.672 38 residues pruned to eliminate duplicates Z: 10 26.230 2.234 1.171 0.832 0.889 0.889 C 1.522 10 residues pruned to eliminate duplicates Z: 10 22.186 2.217 0.542 0.851 0.889 0.667 CB 1.802 10 residues pruned to eliminate duplicates Z: 9 25.648 2.619 0.464 0.833 0.875 0.875 CA 2.027 9 residues pruned to eliminate duplicates Z: 7 16.361 2.136 0.361 0.842 1.000 1.000 C 1.713 7 residues pruned to eliminate duplicates Z: 9 26.130 2.255 0.901 0.910 1.000 1.000 CB 1.529 9 residues pruned to eliminate duplicates Z: 22 79.195 2.674 1.086 0.933 1.000 0.857 CB 2.162 22 residues pruned to eliminate duplicates Z: 19 38.399 2.321 0.628 0.890 0.944 0.944 CB 1.824 19 residues pruned to eliminate duplicates Z: 61 60.419 2.410 0.911 0.519 0.933 0.650 CB 1.780 61 residues pruned to eliminate duplicates Z: 12 29.554 2.325 0.626 0.861 1.000 0.818 CA 1.732 12 residues pruned to eliminate duplicates Z: 9 16.547 2.227 0.519 0.738 0.875 0.625 CB 1.596 9 residues pruned to eliminate duplicates Z: 81 67.143 2.411 1.003 0.571 0.887 0.688 CB 1.635 51 residues pruned to eliminate duplicates Z: 24 51.695 2.257 0.918 0.914 0.957 0.783 CB 1.842 23 residues pruned to eliminate duplicates Z: 24 44.731 2.137 0.899 0.896 1.000 0.870 CB 1.646 23 residues pruned to eliminate duplicates Z: 10 37.737 2.437 1.039 0.873 1.000 0.778 CB 1.844 10 residues pruned to eliminate duplicates Z: 11 33.360 2.489 0.715 0.869 0.900 0.700 CB 2.005 11 residues pruned to eliminate duplicates Z: 14 28.078 2.262 0.697 0.763 0.923 0.692 CA 1.740 14 residues pruned to eliminate duplicates Z: 8 27.782 2.407 0.593 0.894 1.000 1.000 CB 1.964 8 residues pruned to eliminate duplicates Z: 21 49.303 2.249 0.911 0.892 1.000 0.900 CA 1.843 22 residues pruned to eliminate duplicates Z: 24 56.429 2.450 0.798 0.905 0.957 0.870 CA 1.988 24 residues pruned to eliminate duplicates Z: 23 65.380 2.593 0.928 0.906 0.955 0.727 CB 2.077 23 residues pruned to eliminate duplicates Z: 13 32.079 2.460 0.973 0.703 0.917 0.833 CA 1.730 13 residues pruned to eliminate duplicates Z: 24 37.905 2.113 0.767 0.912 0.957 0.696 CB 1.567 24 residues pruned to eliminate duplicates Z: 23 37.874 2.529 1.022 0.465 0.864 0.591 CB 1.894 23 residues pruned to eliminate duplicates Z: 30 27.454 2.174 0.692 0.548 0.862 0.759 CB 1.533 30 residues pruned to eliminate duplicates Z: 35 37.149 2.237 0.771 0.552 0.912 0.647 CB 1.677 10 residues pruned to eliminate duplicates Z: 13 25.494 2.209 0.756 0.854 0.833 0.750 CA 1.682 13 residues pruned to eliminate duplicates Z: 18 34.577 2.373 0.445 0.878 1.000 0.824 CB 1.775 18 residues pruned to eliminate duplicates Z: 23 50.631 2.330 0.730 0.926 1.000 0.864 CA 1.877 23 residues pruned to eliminate duplicates Z: 10 21.875 2.164 0.862 0.574 1.000 0.667 CA 1.685 10 residues pruned to eliminate duplicates Z: 12 27.019 2.494 0.549 0.762 0.818 0.727 CA 2.042 12 residues pruned to eliminate duplicates Z: 11 24.710 2.145 0.979 0.815 0.800 0.700 CA 1.750 11 residues pruned to eliminate duplicates Z: 22 73.664 2.679 0.953 0.920 1.000 0.905 CB 2.163 22 residues pruned to eliminate duplicates Z: 69 53.357 2.348 0.548 0.529 0.971 0.691 CB 1.783 68 residues pruned to eliminate duplicates Z: 13 37.835 2.192 1.098 0.902 1.000 0.833 CA 1.695 13 residues pruned to eliminate duplicates Z: 42 41.519 2.336 0.987 0.571 0.805 0.512 CB 1.620 42 residues pruned to eliminate duplicates Z: 44 37.098 2.296 0.648 0.465 0.907 0.558 CB 1.707 35 residues pruned to eliminate duplicates Z: 24 47.240 2.211 0.802 0.906 1.000 0.826 CB 1.757 24 residues pruned to eliminate duplicates Z: 44 53.551 2.508 0.955 0.528 0.930 0.651 CB 1.742 44 residues pruned to eliminate duplicates Z: 22 68.656 2.530 1.039 0.891 1.000 0.857 CB 2.088 22 residues pruned to eliminate duplicates Z: 18 38.509 2.375 0.488 0.928 1.000 0.882 CB 1.850 18 residues pruned to eliminate duplicates Z: 7 17.157 2.138 0.672 0.841 0.833 0.833 C 1.753 7 residues pruned to eliminate duplicates Z: 23 56.809 2.315 0.978 0.915 1.000 0.818 CB 1.869 24 residues pruned to eliminate duplicates Z: 10 33.792 2.394 0.829 0.877 1.000 0.889 CA 1.868 10 residues pruned to eliminate duplicates Z: 31 30.473 2.171 0.786 0.650 0.900 0.667 CB 1.387 14 residues pruned to eliminate duplicates Z: 26 28.173 2.111 0.897 0.595 0.880 0.720 CB 1.461 18 residues pruned to eliminate duplicates Z: 25 65.705 2.431 1.083 0.878 0.958 0.750 C 2.005 24 residues pruned to eliminate duplicates Z: 66 45.547 2.257 0.579 0.540 0.923 0.646 CB 1.651 33 residues pruned to eliminate duplicates Z: 37 32.052 2.298 0.550 0.479 0.917 0.694 CB 1.672 37 residues pruned to eliminate duplicates Z: 8 23.320 2.271 0.641 0.809 1.000 1.000 C 1.807 8 residues pruned to eliminate duplicates Z: 39 32.305 2.182 0.790 0.555 0.842 0.737 CB 1.510 39 residues pruned to eliminate duplicates Z: 47 35.563 2.048 0.744 0.650 0.913 0.630 CB 1.398 48 residues pruned to eliminate duplicates Z: 9 15.275 1.984 0.420 0.868 0.875 0.625 C 1.601 9 residues pruned to eliminate duplicates Z: 11 35.320 2.157 1.325 0.786 1.000 0.700 CB 1.731 11 residues pruned to eliminate duplicates Z: 76 62.611 2.387 0.831 0.544 0.907 0.640 CB 1.748 69 residues pruned to eliminate duplicates Z: 19 14.268 2.018 0.605 0.471 0.833 0.667 CB 1.283 18 residues pruned to eliminate duplicates Z: 8 10.739 2.046 0.091 0.790 1.000 0.714 CB 1.409 8 residues pruned to eliminate duplicates Z: 43 42.916 2.388 0.772 0.508 0.857 0.619 CB 1.812 43 residues pruned to eliminate duplicates Z: 23 58.721 2.581 0.715 0.909 0.955 0.955 CB 2.103 23 residues pruned to eliminate duplicates Z: 22 87.302 2.712 1.218 0.929 1.000 0.810 CB 2.215 22 residues pruned to eliminate duplicates Z: 23 52.138 2.283 0.849 0.927 1.000 0.955 CB 1.845 23 residues pruned to eliminate duplicates Z: 10 28.009 2.398 0.837 0.820 0.889 0.889 CA 1.806 10 residues pruned to eliminate duplicates Z: 18 35.849 2.201 0.625 0.893 1.000 0.882 CB 1.745 22 residues pruned to eliminate duplicates Z: 8 26.295 2.288 0.850 0.878 1.000 0.857 CB 1.704 8 residues pruned to eliminate duplicates Z: 59 54.730 2.495 0.728 0.496 0.879 0.586 CB 1.904 59 residues pruned to eliminate duplicates Z: 18 28.711 2.135 0.414 0.899 0.941 0.882 CB 1.751 18 residues pruned to eliminate duplicates Z: 8 22.390 2.061 0.871 0.872 1.000 1.000 C 1.600 8 residues pruned to eliminate duplicates Z: 12 34.039 2.268 1.015 0.911 1.000 0.909 CA 1.591 12 residues pruned to eliminate duplicates Z: 9 29.994 2.439 0.896 0.867 0.875 0.875 CA 1.917 9 residues pruned to eliminate duplicates Z: 32 55.918 2.266 0.920 0.794 1.000 0.742 CB 1.784 32 residues pruned to eliminate duplicates Z: 10 30.184 2.206 1.135 0.895 1.000 0.889 CB 1.532 10 residues pruned to eliminate duplicates Z: 19 28.210 2.061 0.454 0.895 1.000 0.833 CB 1.590 19 residues pruned to eliminate duplicates Z: 11 18.342 2.117 0.561 0.753 0.800 0.600 C 1.751 11 residues pruned to eliminate duplicates Z: 24 46.921 2.139 0.979 0.912 1.000 0.696 CB 1.638 25 residues pruned to eliminate duplicates Z: 9 15.613 2.007 0.309 0.847 1.000 0.750 CA 1.559 9 residues pruned to eliminate duplicates Z: 19 20.433 2.325 0.949 0.471 0.722 0.667 CB 1.515 19 residues pruned to eliminate duplicates Z: 9 19.929 2.008 0.777 0.796 1.000 1.000 CB 1.524 9 residues pruned to eliminate duplicates Z: 22 48.219 2.288 0.835 0.897 1.000 0.857 CB 1.795 22 residues pruned to eliminate duplicates Z: 10 24.913 2.348 0.885 0.799 0.889 0.889 CA 1.625 10 residues pruned to eliminate duplicates Z: 24 49.375 2.448 0.720 0.891 0.913 0.826 CB 1.925 24 residues pruned to eliminate duplicates Z: 10 21.694 2.257 0.342 0.892 0.889 0.667 N 1.929 10 residues pruned to eliminate duplicates Z: 24 73.401 2.480 1.096 0.926 1.000 0.826 CA 2.065 23 residues pruned to eliminate duplicates Z: 8 22.747 2.047 0.923 0.897 1.000 0.857 C 1.563 9 residues pruned to eliminate duplicates Z: 19 38.891 2.379 0.722 0.888 0.944 0.722 CB 1.706 19 residues pruned to eliminate duplicates Z: 13 28.615 2.201 0.584 0.912 1.000 0.917 CA 1.678 13 residues pruned to eliminate duplicates Z: 8 34.893 2.438 0.950 0.903 1.000 1.000 CA 1.977 8 residues pruned to eliminate duplicates Z: 102 77.706 2.411 0.752 0.566 0.941 0.634 CB 1.824 102 residues pruned to eliminate duplicates Z: 9 15.542 1.946 0.557 0.880 1.000 0.875 CB 1.314 9 residues pruned to eliminate duplicates Z: 9 24.490 2.531 0.553 0.851 0.875 0.750 CA 1.862 9 residues pruned to eliminate duplicates Z: 6 11.685 2.350 0.158 0.790 0.800 0.600 CA 1.860 6 residues pruned to eliminate duplicates Z: 23 43.058 2.308 0.599 0.916 0.955 0.909 CB 1.840 23 residues pruned to eliminate duplicates Z: 21 70.723 2.540 1.232 0.870 1.000 0.800 C 2.036 23 residues pruned to eliminate duplicates Z: 45 40.638 2.294 0.519 0.558 0.977 0.773 CB 1.700 45 residues pruned to eliminate duplicates Z: 42 45.546 2.393 1.000 0.541 0.854 0.585 CB 1.672 42 residues pruned to eliminate duplicates Z: 31 22.421 2.100 0.361 0.602 0.900 0.633 CB 1.445 17 residues pruned to eliminate duplicates Z: 24 48.471 2.445 0.557 0.876 0.957 0.739 C 2.016 24 residues pruned to eliminate duplicates Z: 134 89.736 2.437 0.951 0.564 0.902 0.639 CB 1.705 134 residues pruned to eliminate duplicates Z: 7 10.467 2.013 0.247 0.705 1.000 0.667 CA 1.413 7 residues pruned to eliminate duplicates Z: 19 41.084 2.362 0.692 0.885 1.000 0.667 CB 1.750 19 residues pruned to eliminate duplicates Z: 81 63.705 2.317 0.856 0.583 0.913 0.675 CB 1.677 80 residues pruned to eliminate duplicates Z: 23 40.161 2.190 0.669 0.907 1.000 0.909 CB 1.664 23 residues pruned to eliminate duplicates Z: 39 34.805 2.368 0.585 0.506 0.921 0.684 CB 1.623 39 residues pruned to eliminate duplicates Z: 9 16.838 1.942 0.766 0.800 1.000 1.000 CA 1.335 9 residues pruned to eliminate duplicates Z: 22 47.884 2.381 0.618 0.895 1.000 0.857 CB 1.945 22 residues pruned to eliminate duplicates Z: 23 35.896 2.168 0.536 0.902 1.000 0.864 CB 1.639 23 residues pruned to eliminate duplicates Z: 97 76.360 2.391 0.955 0.552 0.948 0.656 CB 1.672 97 residues pruned to eliminate duplicates Z: 44 64.710 2.459 0.900 0.651 0.953 0.628 CB 1.925 31 residues pruned to eliminate duplicates Z: 37 56.202 2.292 0.809 0.801 1.000 0.750 CB 1.736 38 residues pruned to eliminate duplicates Z: 9 29.679 2.256 0.974 0.909 1.000 0.875 CA 1.672 9 residues pruned to eliminate duplicates Z: 9 23.153 2.252 0.801 0.855 0.875 0.625 CB 1.703 9 residues pruned to eliminate duplicates Z: 21 25.994 2.252 1.034 0.524 0.850 0.550 CB 1.458 20 residues pruned to eliminate duplicates Z: 6 6.159 1.931 0.106 0.647 0.800 0.600 CA 1.405 6 residues pruned to eliminate duplicates Z: 22 85.015 2.696 1.187 0.930 1.000 0.905 CB 2.201 22 residues pruned to eliminate duplicates Z: 117 76.730 2.380 0.952 0.542 0.897 0.690 CB 1.641 115 residues pruned to eliminate duplicates Z: 17 27.603 2.228 0.315 0.908 1.000 0.875 CB 1.672 17 residues pruned to eliminate duplicates Z: 27 42.505 2.342 1.172 0.601 0.885 0.731 CB 1.683 27 residues pruned to eliminate duplicates Z: 19 27.513 2.031 0.547 0.899 1.000 0.833 CB 1.475 19 residues pruned to eliminate duplicates Z: 19 22.485 2.029 0.191 0.918 1.000 0.944 CB 1.547 19 residues pruned to eliminate duplicates Z: 10 17.292 2.232 0.211 0.818 0.889 0.556 CA 1.820 10 residues pruned to eliminate duplicates Z: 18 33.187 2.156 0.511 0.912 1.000 0.941 CB 1.750 18 residues pruned to eliminate duplicates Z: 37 45.556 2.462 0.748 0.609 0.889 0.722 CB 1.791 37 residues pruned to eliminate duplicates Z: 23 50.029 2.297 0.742 0.919 1.000 0.864 CA 1.878 23 residues pruned to eliminate duplicates Z: 107 65.075 2.372 0.653 0.533 0.906 0.679 CB 1.723 107 residues pruned to eliminate duplicates Z: 37 56.121 2.292 0.901 0.775 0.972 0.778 CB 1.733 37 residues pruned to eliminate duplicates Z: 105 76.215 2.403 0.843 0.565 0.913 0.712 CB 1.736 105 residues pruned to eliminate duplicates Z: 18 32.709 2.399 0.396 0.871 1.000 0.765 CB 1.727 18 residues pruned to eliminate duplicates Z: 73 47.012 2.320 0.462 0.520 0.917 0.708 CB 1.746 73 residues pruned to eliminate duplicates Z: 135 75.163 2.254 0.771 0.586 0.933 0.679 CB 1.605 102 residues pruned to eliminate duplicates Z: 40 35.184 2.296 0.692 0.485 0.923 0.641 CB 1.595 40 residues pruned to eliminate duplicates Z: 45 49.133 2.239 0.684 0.721 0.955 0.773 CB 1.685 45 residues pruned to eliminate duplicates Z: 7 20.601 2.542 0.446 0.861 0.833 0.667 CA 2.018 7 residues pruned to eliminate duplicates Z: 7 13.774 1.907 1.170 0.525 0.833 0.833 CB 1.591 7 residues pruned to eliminate duplicates Z: 13 22.039 1.975 0.829 0.790 1.000 0.583 CB 1.366 13 residues pruned to eliminate duplicates Z: 22 91.154 2.720 1.291 0.932 1.000 0.905 CB 2.229 22 residues pruned to eliminate duplicates Z: 22 66.564 2.407 1.159 0.920 1.000 0.905 CA 1.969 22 residues pruned to eliminate duplicates Z: 21 45.759 2.311 0.744 0.915 0.950 0.750 CB 1.888 21 residues pruned to eliminate duplicates Z: 13 29.196 2.206 0.972 0.862 0.833 0.667 CA 1.707 13 residues pruned to eliminate duplicates Z: 24 43.936 2.232 0.660 0.932 0.957 0.826 CA 1.805 24 residues pruned to eliminate duplicates Z: 11 18.732 2.032 0.415 0.911 1.000 1.000 CB 1.460 11 residues pruned to eliminate duplicates Z: 21 46.834 2.253 0.784 0.918 1.000 0.850 CA 1.838 21 residues pruned to eliminate duplicates Z: 32 47.857 2.455 0.895 0.547 0.935 0.613 CB 1.887 32 residues pruned to eliminate duplicates Z: 13 22.281 2.342 0.628 0.658 0.917 0.750 CB 1.590 13 residues pruned to eliminate duplicates Z: 18 32.337 2.120 0.525 0.908 1.000 0.882 CB 1.723 18 residues pruned to eliminate duplicates Z: 18 18.425 2.170 0.445 0.405 0.941 0.529 CB 1.674 18 residues pruned to eliminate duplicates Z: 8 24.459 2.155 0.963 0.780 1.000 0.857 CB 1.707 8 residues pruned to eliminate duplicates Z: 25 41.315 2.075 0.831 0.910 1.000 0.708 CB 1.574 25 residues pruned to eliminate duplicates Z: 38 28.781 2.144 0.411 0.522 0.919 0.649 CB 1.665 38 residues pruned to eliminate duplicates Z: 22 49.039 2.384 0.651 0.918 1.000 0.905 CB 1.918 22 residues pruned to eliminate duplicates Z: 8 29.917 2.405 0.767 0.892 1.000 1.000 CA 1.911 8 residues pruned to eliminate duplicates Z: 7 8.973 1.801 0.522 0.688 0.833 0.833 CA 1.350 7 residues pruned to eliminate duplicates Z: 8 30.576 2.396 0.757 0.877 1.000 0.857 CA 1.994 8 residues pruned to eliminate duplicates Z: 99 65.510 2.376 0.744 0.523 0.918 0.704 CB 1.700 99 residues pruned to eliminate duplicates Z: 22 44.649 2.262 0.759 0.893 0.952 0.810 CB 1.846 22 residues pruned to eliminate duplicates Z: 22 57.254 2.380 0.945 0.904 1.000 0.857 CB 1.922 22 residues pruned to eliminate duplicates Z: 11 9.221 1.932 0.677 0.358 0.700 0.600 CB 1.499 11 residues pruned to eliminate duplicates Z: 42 59.824 2.434 0.987 0.687 0.927 0.634 CB 1.756 42 residues pruned to eliminate duplicates Z: 14 19.364 1.795 0.637 0.929 1.000 0.923 CA 1.279 14 residues pruned to eliminate duplicates Z: 11 14.294 1.811 0.618 0.821 0.900 0.700 CB 1.297 11 residues pruned to eliminate duplicates Z: 73 35.922 2.089 0.569 0.522 0.903 0.708 CB 1.400 73 residues pruned to eliminate duplicates Z: 44 60.939 2.404 1.004 0.675 0.953 0.744 CB 1.721 44 residues pruned to eliminate duplicates Z: 28 35.378 2.351 1.005 0.582 0.815 0.519 CB 1.638 28 residues pruned to eliminate duplicates Z: 26 27.528 2.116 0.774 0.607 0.920 0.720 CB 1.441 26 residues pruned to eliminate duplicates Z: 23 83.041 2.551 1.272 0.925 1.000 0.864 CA 2.144 23 residues pruned to eliminate duplicates Z: 58 49.427 2.245 0.637 0.580 0.930 0.667 CB 1.773 58 residues pruned to eliminate duplicates Z: 61 69.476 2.411 0.932 0.600 0.950 0.717 CB 1.843 61 residues pruned to eliminate duplicates Z: 23 78.283 2.621 1.186 0.910 0.955 0.818 CB 2.164 23 residues pruned to eliminate duplicates Z: 13 24.481 2.345 0.631 0.686 0.917 0.583 CB 1.700 13 residues pruned to eliminate duplicates Z: 9 15.656 1.890 0.719 0.787 0.875 0.625 C 1.513 9 residues pruned to eliminate duplicates Z: 47 54.887 2.470 0.789 0.544 0.913 0.674 CB 1.922 47 residues pruned to eliminate duplicates Z: 6 8.552 1.907 0.053 0.763 1.000 1.000 CA 1.508 6 residues pruned to eliminate duplicates Z: 14 18.538 2.336 0.572 0.395 1.000 0.692 CB 1.564 14 residues pruned to eliminate duplicates Z: 18 20.122 1.922 0.294 0.905 1.000 0.882 CB 1.397 18 residues pruned to eliminate duplicates Z: 106 97.277 2.525 0.863 0.609 0.943 0.695 CB 1.929 106 residues pruned to eliminate duplicates Z: 57 50.037 2.415 0.745 0.476 0.893 0.589 CB 1.821 57 residues pruned to eliminate duplicates Z: 31 20.877 1.982 0.342 0.622 0.900 0.767 CB 1.420 31 residues pruned to eliminate duplicates Z: 163 94.800 2.418 0.834 0.557 0.920 0.685 CB 1.728 268 residues pruned to eliminate duplicates Z: 6 7.347 1.791 0.256 0.858 1.000 0.800 CB 1.075 6 residues pruned to eliminate duplicates Z: 73 35.636 2.123 0.455 0.528 0.903 0.694 CB 1.465 Z: 16 21.933 2.091 0.366 0.888 1.000 0.933 CB 1.428 16 residues pruned to eliminate duplicates Z: 7 8.533 1.896 0.371 0.740 1.000 0.667 CA 1.080 7 residues pruned to eliminate duplicates Z: 10 15.627 2.301 0.026 0.818 0.889 0.667 CA 1.884 10 residues pruned to eliminate duplicates Z: 24 53.242 2.437 0.628 0.903 1.000 0.870 CA 1.994 24 residues pruned to eliminate duplicates Z: 32 32.171 2.251 0.467 0.629 0.935 0.710 CB 1.657 32 residues pruned to eliminate duplicates Z: 10 16.895 2.379 0.628 0.482 0.778 0.667 CA 1.903 10 residues pruned to eliminate duplicates Z: 58 44.972 2.222 0.651 0.574 0.947 0.684 CB 1.595 57 residues pruned to eliminate duplicates Z: 12 17.968 2.024 0.609 0.825 1.000 0.545 CB 1.256 Z: 23 74.677 2.569 1.172 0.898 0.955 0.773 C 2.138 23 residues pruned to eliminate duplicates Z: 14 18.170 2.248 0.731 0.565 0.846 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 37 54.043 2.287 0.820 0.769 1.000 0.750 CB 1.705 37 residues pruned to eliminate duplicates Z: 15 14.542 1.799 0.294 0.912 1.000 0.786 CB 1.182 15 residues pruned to eliminate duplicates Z: 33 25.360 1.964 0.490 0.625 0.938 0.719 CB 1.453 33 residues pruned to eliminate duplicates Z: 11 18.036 2.014 0.340 0.923 1.000 0.900 CB 1.485 11 residues pruned to eliminate duplicates Z: 22 29.382 2.161 1.004 0.514 0.952 0.619 CB 1.533 12 residues pruned to eliminate duplicates Z: 11 19.801 2.030 0.471 0.929 1.000 0.900 CB 1.467 11 residues pruned to eliminate duplicates Z: 41 66.038 2.493 0.964 0.681 0.925 0.675 CA 1.951 41 residues pruned to eliminate duplicates Z: 18 16.860 1.812 0.258 0.858 1.000 0.765 CB 1.321 18 residues pruned to eliminate duplicates Z: 28 24.676 2.095 0.787 0.567 0.852 0.778 CB 1.396 28 residues pruned to eliminate duplicates Z: 15 22.409 2.164 0.830 0.620 0.857 0.571 CB 1.576 15 residues pruned to eliminate duplicates Z: 11 20.961 2.016 0.630 0.865 1.000 0.700 CB 1.478 11 residues pruned to eliminate duplicates Z: 57 68.301 2.458 0.994 0.624 0.946 0.696 CB 1.751 57 residues pruned to eliminate duplicates Z: 18 15.659 1.848 0.260 0.877 1.000 0.824 CB 1.184 18 residues pruned to eliminate duplicates Z: 67 75.099 2.320 0.994 0.651 0.970 0.667 CB 1.790 67 residues pruned to eliminate duplicates Z: 65 71.038 2.425 0.831 0.643 0.969 0.688 CB 1.806 63 residues pruned to eliminate duplicates Z: 23 59.569 2.558 0.739 0.885 0.955 0.818 CB 2.160 23 residues pruned to eliminate duplicates Z: 46 51.457 2.347 0.804 0.680 0.889 0.711 CB 1.728 46 residues pruned to eliminate duplicates Z: 23 48.292 2.182 0.993 0.909 0.955 0.727 CA 1.760 23 residues pruned to eliminate duplicates Z: 14 18.504 1.754 0.525 0.933 1.000 1.000 CB 1.340 14 residues pruned to eliminate duplicates Z: 43 50.518 2.294 0.665 0.720 0.952 0.738 CA 1.757 43 residues pruned to eliminate duplicates Z: 25 26.552 2.122 0.740 0.612 0.875 0.750 CB 1.509 25 residues pruned to eliminate duplicates Z: 23 86.235 2.601 1.455 0.910 0.955 0.773 CB 2.140 23 residues pruned to eliminate duplicates Z: 19 26.972 2.038 0.422 0.923 1.000 0.944 CB 1.542 19 residues pruned to eliminate duplicates Z: 23 76.787 2.525 1.326 0.931 0.955 0.682 C 2.040 23 residues pruned to eliminate duplicates Z: 32 40.155 2.415 0.955 0.494 0.903 0.742 CB 1.702 32 residues pruned to eliminate duplicates Z: 6 13.791 2.329 0.328 0.769 1.000 0.600 CB 1.571 6 residues pruned to eliminate duplicates Z: 6 9.458 1.793 0.357 0.751 1.000 0.600 CA 1.389 6 residues pruned to eliminate duplicates Z: 30 37.681 2.469 0.586 0.588 0.966 0.724 CB 1.701 30 residues pruned to eliminate duplicates Z: 8 26.327 2.360 0.715 0.739 1.000 1.000 CB 1.986 8 residues pruned to eliminate duplicates Z: 27 38.575 2.368 0.925 0.627 0.885 0.692 CB 1.664 27 residues pruned to eliminate duplicates Z: 23 76.855 2.568 1.226 0.907 0.955 0.727 C 2.135 23 residues pruned to eliminate duplicates Z: 26 22.266 1.931 0.630 0.680 0.840 0.520 CB 1.426 26 residues pruned to eliminate duplicates Z: 19 27.825 2.022 0.507 0.910 1.000 0.889 CB 1.527 19 residues pruned to eliminate duplicates Z: 9 17.795 2.070 0.483 0.849 1.000 0.875 CB 1.518 9 residues pruned to eliminate duplicates Z: 13 23.637 2.163 0.531 0.827 0.917 0.750 CA 1.694 13 residues pruned to eliminate duplicates Z: 22 81.914 2.664 1.162 0.937 1.000 0.857 C 2.159 22 residues pruned to eliminate duplicates Z: 108 83.198 2.462 0.832 0.559 0.953 0.617 CB 1.765 114 residues pruned to eliminate duplicates Z: 43 39.914 2.334 0.915 0.556 0.857 0.667 CB 1.522 43 residues pruned to eliminate duplicates Z: 8 15.529 1.852 0.770 0.784 1.000 0.714 CB 1.395 Z: 32 19.936 1.958 0.436 0.609 0.871 0.710 CB 1.318 32 residues pruned to eliminate duplicates Z: 22 42.929 2.193 0.736 0.892 1.000 0.857 CB 1.768 22 residues pruned to eliminate duplicates Z: 67 75.714 2.473 0.903 0.640 0.939 0.803 CB 1.849 67 residues pruned to eliminate duplicates Z: 24 46.724 2.139 1.118 0.900 1.000 0.696 CB 1.537 23 residues pruned to eliminate duplicates Z: 98 62.590 2.392 0.645 0.538 0.928 0.732 CB 1.676 98 residues pruned to eliminate duplicates Z: 8 17.108 2.113 0.766 0.675 1.000 0.857 CB 1.475 8 residues pruned to eliminate duplicates Z: 58 39.492 2.207 0.578 0.539 0.930 0.684 CB 1.554 58 residues pruned to eliminate duplicates Z: 46 57.298 2.343 0.765 0.683 0.933 0.667 CB 1.870 46 residues pruned to eliminate duplicates Z: 13 25.525 1.915 0.865 0.915 1.000 0.917 CA 1.458 13 residues pruned to eliminate duplicates Z: 6 7.163 2.176 0.208 0.660 0.800 0.600 CA 1.313 6 residues pruned to eliminate duplicates Z: 23 63.683 2.337 1.255 0.926 0.955 0.727 CB 1.892 23 residues pruned to eliminate duplicates Z: 11 21.868 2.028 0.673 0.929 1.000 1.000 CB 1.426 11 residues pruned to eliminate duplicates Z: 18 39.405 2.139 0.839 0.931 1.000 0.941 CB 1.698 18 residues pruned to eliminate duplicates Z: 15 14.912 1.807 0.684 0.587 0.929 0.571 CB 1.298 Z: 9 28.138 2.592 0.421 0.872 1.000 0.875 CA 1.968 9 residues pruned to eliminate duplicates Z: 67 70.766 2.290 0.941 0.648 0.970 0.667 CB 1.761 92 residues pruned to eliminate duplicates Z: 10 15.755 1.985 0.303 0.919 1.000 0.889 CB 1.431 10 residues pruned to eliminate duplicates Z: 6 4.966 1.528 0.477 0.532 1.000 0.800 CA 0.954 6 residues pruned to eliminate duplicates Z: 9 13.387 2.061 0.738 0.434 0.875 0.750 CA 1.616 9 residues pruned to eliminate duplicates Z: 8 19.570 2.107 0.502 0.883 1.000 1.000 CA 1.690 8 residues pruned to eliminate duplicates Z: 89 61.521 2.406 0.602 0.544 0.932 0.705 CB 1.749 89 residues pruned to eliminate duplicates Z: 34 39.390 2.292 0.749 0.566 0.970 0.727 CB 1.655 34 residues pruned to eliminate duplicates Z: 18 17.506 2.199 0.522 0.464 0.824 0.588 CB 1.598 18 residues pruned to eliminate duplicates Z: 54 52.692 2.396 0.742 0.552 0.962 0.717 CB 1.712 54 residues pruned to eliminate duplicates Z: 16 29.307 2.391 1.011 0.610 0.867 0.733 CB 1.635 17 residues pruned to eliminate duplicates Z: 6 11.723 1.761 0.620 0.728 1.000 0.800 CA 1.497 6 residues pruned to eliminate duplicates Z: 67 55.661 2.314 0.888 0.524 0.924 0.667 CB 1.657 67 residues pruned to eliminate duplicates Z: 22 47.159 2.350 0.706 0.897 0.952 0.762 CB 1.929 22 residues pruned to eliminate duplicates Z: 19 16.075 1.779 0.443 0.845 0.944 0.833 CB 1.161 19 residues pruned to eliminate duplicates Z: 24 45.604 2.144 0.906 0.896 1.000 0.957 CA 1.667 25 residues pruned to eliminate duplicates Z: 7 15.725 2.263 0.280 0.881 1.000 0.667 CB 1.605 7 residues pruned to eliminate duplicates Z: 10 12.187 2.007 0.271 0.542 0.889 0.667 CA 1.719 10 residues pruned to eliminate duplicates Z: 87 86.718 2.520 0.940 0.598 0.919 0.686 CB 1.896 87 residues pruned to eliminate duplicates Z: 56 44.644 2.326 0.578 0.561 0.909 0.727 CB 1.699 56 residues pruned to eliminate duplicates Z: 119 74.220 2.376 0.815 0.521 0.907 0.576 CB 1.712 119 residues pruned to eliminate duplicates Z: 44 65.278 2.400 1.049 0.685 0.907 0.674 CB 1.884 44 residues pruned to eliminate duplicates Z: 10 20.261 2.296 1.215 0.851 0.778 0.667 CB 1.264 10 residues pruned to eliminate duplicates Z: 19 39.266 2.351 0.648 0.869 1.000 0.611 CB 1.745 19 residues pruned to eliminate duplicates Z: 65 44.788 2.255 0.534 0.563 0.906 0.703 CB 1.679 65 residues pruned to eliminate duplicates Z: 10 31.675 2.375 0.820 0.875 1.000 0.889 CB 1.776 10 residues pruned to eliminate duplicates Z: 44 40.240 2.283 0.747 0.511 0.930 0.721 CB 1.637 44 residues pruned to eliminate duplicates Z: 23 21.262 2.191 0.762 0.561 0.818 0.545 CB 1.352 23 residues pruned to eliminate duplicates Z: 9 19.461 2.013 0.912 0.782 1.000 0.750 CA 1.395 9 residues pruned to eliminate duplicates Z: 24 81.884 2.493 1.273 0.934 1.000 0.870 C 2.102 24 residues pruned to eliminate duplicates Z: 12 32.131 2.355 0.643 0.879 1.000 0.818 CA 1.815 12 residues pruned to eliminate duplicates Z: 8 12.204 1.897 0.655 0.715 1.000 0.429 CB 1.209 8 residues pruned to eliminate duplicates Z: 8 19.064 1.965 1.003 0.749 1.000 0.714 CB 1.465 8 residues pruned to eliminate duplicates Z: 62 83.095 2.494 1.026 0.627 0.951 0.672 CB 1.965 68 residues pruned to eliminate duplicates Z: 22 51.213 2.298 0.813 0.874 1.000 0.714 CB 1.952 22 residues pruned to eliminate duplicates Z: 14 16.424 1.795 0.462 0.886 1.000 1.000 CB 1.252 14 residues pruned to eliminate duplicates Z: 19 36.770 2.045 0.979 0.864 0.944 0.833 CB 1.662 19 residues pruned to eliminate duplicates Z: 8 19.287 2.002 0.627 0.866 1.000 0.714 CB 1.639 Z: 13 20.684 1.871 0.708 0.935 1.000 1.000 CA 1.302 13 residues pruned to eliminate duplicates Z: 25 76.864 2.449 1.353 0.906 0.958 0.833 C 2.021 25 residues pruned to eliminate duplicates Z: 13 22.879 1.897 0.694 0.919 1.000 1.000 CA 1.448 13 residues pruned to eliminate duplicates Z: 23 67.948 2.529 1.013 0.905 1.000 0.636 CB 2.025 23 residues pruned to eliminate duplicates Z: 7 8.319 2.118 0.358 0.507 0.833 0.833 CA 1.408 7 residues pruned to eliminate duplicates Z: 18 22.486 1.936 0.454 0.895 1.000 0.824 CB 1.389 18 residues pruned to eliminate duplicates Z: 107 91.883 2.513 0.825 0.606 0.943 0.698 CB 1.866 107 residues pruned to eliminate duplicates Z: 67 68.213 2.300 0.947 0.641 0.939 0.712 CB 1.749 67 residues pruned to eliminate duplicates Z: 8 20.678 1.979 0.868 0.892 1.000 0.714 C 1.519 8 residues pruned to eliminate duplicates Z: 6 3.557 1.844 0.303 0.291 0.800 0.600 CB 1.047 Z: 72 48.032 2.165 0.722 0.566 0.958 0.690 CB 1.498 74 residues pruned to eliminate duplicates Z: 24 46.723 2.233 0.792 0.916 0.957 0.783 CA 1.797 24 residues pruned to eliminate duplicates Z: 26 28.494 2.158 0.653 0.636 0.920 0.760 CB 1.529 26 residues pruned to eliminate duplicates Z: 19 17.566 1.856 0.320 0.867 1.000 0.667 CB 1.235 19 residues pruned to eliminate duplicates Z: 9 19.628 2.091 0.584 0.846 1.000 0.750 CB 1.557 Z: 98 65.434 2.419 0.591 0.560 0.897 0.670 CB 1.816 98 residues pruned to eliminate duplicates Z: 18 36.795 2.135 0.847 0.920 1.000 0.882 CB 1.593 18 residues pruned to eliminate duplicates Z: 18 38.007 2.143 0.743 0.942 1.000 0.941 CB 1.712 18 residues pruned to eliminate duplicates Z: 30 46.134 2.521 0.777 0.517 0.966 0.655 CB 1.948 30 residues pruned to eliminate duplicates Z: 26 28.515 2.143 0.713 0.612 0.920 0.800 CB 1.519 26 residues pruned to eliminate duplicates Z: 18 28.105 2.339 0.184 0.898 0.941 0.941 CB 1.871 18 residues pruned to eliminate duplicates Z: 91 72.550 2.327 0.844 0.631 0.911 0.744 CB 1.730 39 residues pruned to eliminate duplicates Z: 19 15.403 1.850 0.110 0.853 1.000 0.889 CB 1.306 19 residues pruned to eliminate duplicates Z: 11 14.598 1.896 0.386 0.874 1.000 0.900 CB 1.278 11 residues pruned to eliminate duplicates Z: 23 53.333 2.197 1.200 0.925 1.000 0.818 CB 1.651 23 residues pruned to eliminate duplicates Z: 71 76.694 2.413 1.010 0.644 0.943 0.671 CB 1.753 71 residues pruned to eliminate duplicates Z: 27 30.800 2.220 0.918 0.599 0.846 0.654 CB 1.525 27 residues pruned to eliminate duplicates Z: 18 17.373 1.883 0.352 0.886 1.000 0.765 CB 1.195 18 residues pruned to eliminate duplicates Z: 13 19.713 2.065 0.492 0.825 0.917 0.750 CA 1.521 13 residues pruned to eliminate duplicates Z: 9 32.325 2.273 1.226 0.888 1.000 0.875 CB 1.628 9 residues pruned to eliminate duplicates Z: 19 31.455 2.100 0.724 0.867 0.944 0.722 CB 1.587 19 residues pruned to eliminate duplicates Z: 65 74.599 2.434 0.930 0.653 0.938 0.656 CB 1.836 65 residues pruned to eliminate duplicates Z: 23 48.485 2.198 1.027 0.901 1.000 0.727 CB 1.656 23 residues pruned to eliminate duplicates Z: 22 30.059 2.204 0.897 0.584 0.952 0.619 CB 1.520 9 residues pruned to eliminate duplicates Z: 8 12.447 2.062 0.491 0.752 0.857 0.571 CB 1.426 8 residues pruned to eliminate duplicates Z: 27 35.223 2.295 0.948 0.585 0.923 0.731 CB 1.542 27 residues pruned to eliminate duplicates Z: 9 9.849 1.838 0.837 0.442 0.875 0.500 CB 1.251 9 residues pruned to eliminate duplicates Z: 28 31.971 2.109 0.784 0.637 0.889 0.815 CB 1.619 28 residues pruned to eliminate duplicates Z: 17 17.697 1.955 0.175 0.889 1.000 0.938 CB 1.386 17 residues pruned to eliminate duplicates Z: 34 22.211 1.983 0.432 0.575 0.909 0.697 CB 1.393 34 residues pruned to eliminate duplicates Z: 9 11.276 1.895 0.320 0.870 1.000 1.000 CB 1.163 9 residues pruned to eliminate duplicates Z: 19 36.812 2.078 0.778 0.918 1.000 0.889 CB 1.657 19 residues pruned to eliminate duplicates Z: 8 29.257 2.349 0.815 0.888 1.000 1.000 CA 1.869 8 residues pruned to eliminate duplicates Z: 67 55.438 2.360 0.877 0.543 0.894 0.697 CB 1.652 67 residues pruned to eliminate duplicates Z: 18 22.545 1.922 0.467 0.928 1.000 0.882 CB 1.358 18 residues pruned to eliminate duplicates Z: 42 45.042 2.364 0.869 0.515 0.878 0.707 CB 1.787 42 residues pruned to eliminate duplicates Z: 20 23.546 2.013 0.648 0.703 0.895 0.842 CA 1.513 20 residues pruned to eliminate duplicates Z: 36 20.370 1.952 0.388 0.580 0.971 0.714 CB 1.212 36 residues pruned to eliminate duplicates Z: 32 46.681 2.391 0.981 0.575 0.935 0.613 CB 1.760 32 residues pruned to eliminate duplicates Z: 101 80.710 2.414 0.761 0.584 0.940 0.650 CB 1.864 64 residues pruned to eliminate duplicates Z: 76 62.458 2.356 0.748 0.603 0.933 0.613 CB 1.701 76 residues pruned to eliminate duplicates Z: 24 62.073 2.370 1.033 0.912 1.000 0.739 CB 1.902 24 residues pruned to eliminate duplicates Z: 22 52.082 2.278 0.984 0.907 1.000 0.810 CB 1.788 22 residues pruned to eliminate duplicates Z: 16 13.123 1.852 0.107 0.892 1.000 0.933 CB 1.188 16 residues pruned to eliminate duplicates Z: 19 21.460 1.858 0.536 0.888 1.000 0.722 CB 1.277 19 residues pruned to eliminate duplicates Z: 10 23.833 2.254 1.174 0.735 0.889 0.889 CB 1.478 10 residues pruned to eliminate duplicates Z: 14 21.683 1.805 0.860 0.879 1.000 0.769 CB 1.299 14 residues pruned to eliminate duplicates Z: 6 10.337 1.965 0.618 0.605 1.000 1.000 CB 1.315 6 residues pruned to eliminate duplicates Z: 16 26.234 2.286 0.871 0.681 0.867 0.600 CB 1.548 16 residues pruned to eliminate duplicates Z: 23 26.023 2.091 0.679 0.615 0.955 0.727 CB 1.485 23 residues pruned to eliminate duplicates Z: 42 63.143 2.447 0.972 0.701 0.902 0.659 CB 1.886 42 residues pruned to eliminate duplicates Z: 11 7.118 1.574 0.421 0.672 0.900 0.700 CB 0.954 5 residues pruned to eliminate duplicates Z: 19 15.279 1.815 0.097 0.900 0.944 0.833 CB 1.369 19 residues pruned to eliminate duplicates Z: 23 50.293 2.169 1.165 0.909 0.955 0.682 CB 1.698 23 residues pruned to eliminate duplicates Z: 12 18.445 2.049 0.645 0.813 0.909 0.636 CB 1.383 12 residues pruned to eliminate duplicates Z: 25 44.586 2.062 0.972 0.887 1.000 0.750 CA 1.613 25 residues pruned to eliminate duplicates Z: 19 14.684 1.827 0.302 0.838 0.944 0.611 CB 1.152 19 residues pruned to eliminate duplicates Z: 27 22.601 1.999 0.519 0.518 0.885 0.615 CB 1.621 27 residues pruned to eliminate duplicates Z: 30 47.089 2.243 0.821 0.742 0.966 0.586 CB 1.786 30 residues pruned to eliminate duplicates Z: 129 93.094 2.454 0.724 0.615 0.945 0.781 CB 1.846 129 residues pruned to eliminate duplicates Z: 35 31.564 2.296 0.602 0.567 0.912 0.588 CB 1.513 35 residues pruned to eliminate duplicates Z: 16 12.802 1.864 0.119 0.893 1.000 0.867 CB 1.138 16 residues pruned to eliminate duplicates Z: 33 45.635 2.456 0.928 0.553 0.875 0.625 CB 1.850 33 residues pruned to eliminate duplicates Z: 22 71.022 2.676 0.925 0.928 1.000 0.952 CB 2.107 22 residues pruned to eliminate duplicates Z: 9 18.470 1.939 0.657 0.837 1.000 0.875 CA 1.519 9 residues pruned to eliminate duplicates Z: 17 16.709 1.896 0.197 0.938 1.000 1.000 CB 1.281 17 residues pruned to eliminate duplicates Z: 20 38.796 2.300 0.616 0.882 1.000 0.737 CB 1.733 20 residues pruned to eliminate duplicates Z: 31 45.525 2.466 0.856 0.535 0.967 0.667 CB 1.815 31 residues pruned to eliminate duplicates Z: 23 57.496 2.508 0.698 0.911 1.000 0.864 CA 2.040 23 residues pruned to eliminate duplicates Z: 33 49.461 2.465 0.933 0.570 0.906 0.594 CB 1.892 33 residues pruned to eliminate duplicates Z: 85 58.433 2.351 0.717 0.555 0.917 0.702 CB 1.634 85 residues pruned to eliminate duplicates Z: 65 67.877 2.318 0.956 0.627 0.938 0.641 CB 1.770 65 residues pruned to eliminate duplicates Z: 10 15.441 1.972 0.507 0.857 0.889 0.556 CB 1.436 10 residues pruned to eliminate duplicates Z: 17 16.452 1.984 0.884 0.591 0.938 0.812 CB 1.076 17 residues pruned to eliminate duplicates Z: 14 19.386 2.040 0.770 0.590 0.923 0.692 CB 1.479 14 residues pruned to eliminate duplicates Z: 17 17.502 1.918 0.252 0.909 1.000 0.750 CB 1.294 17 residues pruned to eliminate duplicates Z: 21 29.045 2.011 0.435 0.888 1.000 0.900 CB 1.622 21 residues pruned to eliminate duplicates Z: 48 55.245 2.299 0.912 0.662 0.915 0.723 CB 1.724 48 residues pruned to eliminate duplicates Z: 18 17.103 1.838 0.319 0.913 1.000 0.882 CB 1.211 18 residues pruned to eliminate duplicates Z: 39 40.318 2.415 0.712 0.477 0.895 0.553 CB 1.809 39 residues pruned to eliminate duplicates Z: 6 10.501 1.917 0.551 0.654 1.000 0.600 CA 1.368 6 residues pruned to eliminate duplicates Z: 27 29.079 2.136 0.818 0.587 0.923 0.577 CB 1.464 27 residues pruned to eliminate duplicates Z: 9 11.552 1.916 0.577 0.653 1.000 0.875 CB 1.172 9 residues pruned to eliminate duplicates Z: 12 35.483 2.518 0.760 0.781 1.000 0.818 CB 1.884 12 residues pruned to eliminate duplicates Z: 9 16.666 2.085 0.379 0.877 1.000 1.000 CB 1.488 9 residues pruned to eliminate duplicates Z: 10 33.702 2.429 0.962 0.881 1.000 0.889 CB 1.706 10 residues pruned to eliminate duplicates Z: 6 8.773 1.850 0.529 0.709 1.000 0.600 CA 1.148 6 residues pruned to eliminate duplicates Z: 15 18.899 1.885 0.416 0.944 1.000 0.857 CB 1.311 15 residues pruned to eliminate duplicates Z: 18 14.617 1.807 0.235 0.860 1.000 0.882 CB 1.168 18 residues pruned to eliminate duplicates Z: 10 18.988 2.017 0.531 0.913 1.000 0.889 CB 1.451 10 residues pruned to eliminate duplicates Z: 7 8.254 1.582 0.756 0.481 1.000 0.500 C 1.237 7 residues pruned to eliminate duplicates Z: 11 19.261 2.350 0.616 0.440 0.900 0.800 CB 1.896 11 residues pruned to eliminate duplicates Z: 9 12.857 1.993 0.243 0.780 1.000 0.750 CA 1.434 9 residues pruned to eliminate duplicates Z: 31 32.191 2.243 0.792 0.476 0.900 0.533 CB 1.665 31 residues pruned to eliminate duplicates Z: 9 10.450 1.561 0.392 0.829 1.000 0.750 CA 1.280 9 residues pruned to eliminate duplicates Z: 18 40.528 2.150 0.958 0.917 0.941 0.765 CB 1.751 18 residues pruned to eliminate duplicates Z: 12 36.707 2.482 0.917 0.801 0.909 0.909 CB 1.967 12 residues pruned to eliminate duplicates Z: 105 68.401 2.310 0.781 0.563 0.933 0.692 CB 1.645 104 residues pruned to eliminate duplicates Z: 26 16.755 1.891 0.637 0.416 0.840 0.640 CA 1.406 26 residues pruned to eliminate duplicates Z: 9 8.825 1.788 0.572 0.611 0.875 0.750 CB 1.142 9 residues pruned to eliminate duplicates Z: 24 44.581 2.116 0.876 0.901 1.000 0.870 CA 1.671 24 residues pruned to eliminate duplicates Z: 14 13.262 1.835 0.266 0.735 0.923 0.769 CB 1.389 14 residues pruned to eliminate duplicates Z: 16 27.425 2.268 0.761 0.653 1.000 0.800 CB 1.537 16 residues pruned to eliminate duplicates Z: 40 40.088 2.260 0.754 0.558 0.923 0.744 CB 1.658 40 residues pruned to eliminate duplicates Z: 19 48.446 2.331 1.137 0.879 0.944 0.611 CB 1.761 19 residues pruned to eliminate duplicates Z: 12 14.961 2.089 0.603 0.586 1.000 0.818 CB 1.241 12 residues pruned to eliminate duplicates Z: 20 11.671 1.945 0.390 0.361 0.842 0.421 CB 1.366 20 residues pruned to eliminate duplicates Z: 11 18.747 1.898 0.556 0.922 1.000 0.800 CB 1.413 11 residues pruned to eliminate duplicates Z: 19 39.240 2.450 0.986 0.616 0.944 0.556 CB 1.803 19 residues pruned to eliminate duplicates Z: 41 43.752 2.441 0.681 0.518 0.850 0.750 CB 1.948 41 residues pruned to eliminate duplicates Z: 68 65.832 2.490 0.829 0.538 0.940 0.627 CB 1.810 68 residues pruned to eliminate duplicates Z: 18 20.220 1.865 0.534 0.888 1.000 0.824 CB 1.235 18 residues pruned to eliminate duplicates Z: 18 20.644 1.839 0.642 0.908 1.000 0.706 CB 1.177 18 residues pruned to eliminate duplicates Z: 20 28.996 2.391 0.717 0.523 0.947 0.632 CB 1.672 20 residues pruned to eliminate duplicates Z: 11 2.739 1.399 0.451 0.253 0.700 0.400 CB 0.810 11 residues pruned to eliminate duplicates Z: 32 44.657 2.385 0.801 0.556 0.968 0.710 CB 1.827 32 residues pruned to eliminate duplicates Z: 97 93.055 2.505 0.944 0.613 0.927 0.677 CB 1.890 97 residues pruned to eliminate duplicates Z: 37 20.786 1.980 0.475 0.532 0.861 0.556 CB 1.335 37 residues pruned to eliminate duplicates Z: 80 69.391 2.379 0.880 0.589 0.937 0.633 CB 1.711 80 residues pruned to eliminate duplicates Z: 8 12.013 2.147 0.400 0.574 1.000 0.857 CA 1.407 8 residues pruned to eliminate duplicates Z: 99 66.994 2.391 0.743 0.533 0.939 0.663 CB 1.675 99 residues pruned to eliminate duplicates Z: 74 57.252 2.341 0.853 0.567 0.918 0.671 CB 1.576 74 residues pruned to eliminate duplicates Z: 9 32.429 2.542 0.673 0.911 1.000 1.000 CA 1.910 9 residues pruned to eliminate duplicates Z: 13 19.681 2.168 0.808 0.489 0.917 0.833 CB 1.598 13 residues pruned to eliminate duplicates Z: 11 14.616 2.325 0.458 0.321 0.900 0.700 CB 1.846 11 residues pruned to eliminate duplicates Z: 102 67.501 2.372 0.760 0.564 0.901 0.634 CB 1.678 102 residues pruned to eliminate duplicates Z: 9 14.141 1.974 0.197 0.870 1.000 0.750 CB 1.544 9 residues pruned to eliminate duplicates Z: 7 9.006 1.410 0.708 0.747 1.000 0.667 CA 1.224 7 residues pruned to eliminate duplicates Z: 11 12.470 1.825 0.509 0.607 0.900 0.700 CB 1.436 11 residues pruned to eliminate duplicates Z: 12 19.828 1.973 0.473 0.921 1.000 0.909 CA 1.447 12 residues pruned to eliminate duplicates Z: 97 76.785 2.338 0.872 0.599 0.927 0.646 CB 1.757 102 residues pruned to eliminate duplicates Z: 18 38.331 2.339 0.821 0.632 1.000 0.706 CA 1.928 18 residues pruned to eliminate duplicates Z: 23 31.668 2.089 0.871 0.758 0.909 0.682 CB 1.510 23 residues pruned to eliminate duplicates Z: 13 19.755 1.832 0.743 0.922 1.000 0.917 CA 1.256 13 residues pruned to eliminate duplicates Z: 37 66.768 2.446 0.980 0.723 0.972 0.806 CB 1.932 37 residues pruned to eliminate duplicates Z: 14 18.198 2.222 0.658 0.470 0.923 0.692 CB 1.530 14 residues pruned to eliminate duplicates Z: 17 15.186 1.860 0.703 0.568 0.875 0.688 CB 1.282 8 residues pruned to eliminate duplicates Z: 6 14.026 2.171 0.686 0.814 1.000 0.400 CA 1.305 6 residues pruned to eliminate duplicates Z: 64 47.132 2.278 0.612 0.554 0.921 0.635 CB 1.667 64 residues pruned to eliminate duplicates Z: 19 16.656 1.902 0.283 0.861 0.889 0.833 CB 1.330 19 residues pruned to eliminate duplicates Z: 19 19.577 2.150 0.816 0.524 0.833 0.556 CB 1.385 19 residues pruned to eliminate duplicates Z: 39 40.511 2.439 0.638 0.501 0.947 0.605 CB 1.734 39 residues pruned to eliminate duplicates Z: 101 74.394 2.322 0.877 0.577 0.930 0.720 CB 1.704 101 residues pruned to eliminate duplicates Z: 14 17.533 1.748 0.508 0.923 1.000 1.000 CA 1.297 14 residues pruned to eliminate duplicates Z: 9 5.225 1.712 -0.114 0.468 0.875 0.500 O 1.437 Z: 86 59.673 2.419 0.742 0.503 0.906 0.647 CB 1.690 86 residues pruned to eliminate duplicates Z: 65 63.229 2.405 0.806 0.637 0.891 0.594 CB 1.797 65 residues pruned to eliminate duplicates Z: 20 57.478 2.516 0.746 0.943 1.000 0.947 CB 2.081 20 residues pruned to eliminate duplicates Z: 19 35.628 2.278 0.474 0.939 1.000 0.833 CB 1.738 19 residues pruned to eliminate duplicates Z: 6 3.433 1.766 -0.135 0.747 0.600 0.400 CB 1.344 6 residues pruned to eliminate duplicates Z: 23 49.483 2.173 1.042 0.892 1.000 0.773 CB 1.708 23 residues pruned to eliminate duplicates Z: 18 22.447 1.918 0.455 0.877 1.000 0.882 CB 1.416 18 residues pruned to eliminate duplicates Z: 23 47.020 2.159 0.987 0.914 1.000 0.818 CB 1.652 23 residues pruned to eliminate duplicates Z: 35 60.578 2.318 1.109 0.690 0.941 0.647 CB 1.896 34 residues pruned to eliminate duplicates Z: 22 31.893 2.169 0.872 0.541 1.000 0.667 CB 1.647 22 residues pruned to eliminate duplicates Z: 25 59.504 2.542 1.063 0.679 0.958 0.750 CA 2.050 26 residues pruned to eliminate duplicates Z: 11 15.983 1.750 0.510 0.825 1.000 0.800 CB 1.443 11 residues pruned to eliminate duplicates Z: 29 18.510 1.920 0.525 0.504 0.857 0.643 CB 1.388 29 residues pruned to eliminate duplicates Z: 66 69.597 2.432 0.912 0.583 0.908 0.646 CB 1.888 66 residues pruned to eliminate duplicates Z: 18 37.673 2.169 0.867 0.878 1.000 0.588 CB 1.637 18 residues pruned to eliminate duplicates Z: 8 19.853 2.664 0.557 0.476 1.000 0.714 CA 1.854 8 residues pruned to eliminate duplicates Z: 7 3.525 1.312 0.385 0.423 0.833 0.500 CB 1.029 5 residues pruned to eliminate duplicates Z: 8 13.481 1.838 0.820 0.608 1.000 0.714 CB 1.375 8 residues pruned to eliminate duplicates Z: 59 58.761 2.508 0.695 0.575 0.862 0.638 CB 1.958 59 residues pruned to eliminate duplicates Z: 7 11.904 1.877 0.491 0.692 1.000 0.667 CA 1.457 7 residues pruned to eliminate duplicates Z: 6 3.736 1.524 0.051 0.642 1.000 0.800 CB 0.913 Z: 55 63.106 2.354 0.956 0.645 0.944 0.648 CB 1.726 55 residues pruned to eliminate duplicates Z: 27 30.346 2.325 0.542 0.484 0.923 0.654 CB 1.828 27 residues pruned to eliminate duplicates Z: 79 77.033 2.525 0.782 0.599 0.949 0.705 CB 1.859 79 residues pruned to eliminate duplicates Z: 57 46.408 2.184 0.841 0.604 0.911 0.643 CB 1.534 57 residues pruned to eliminate duplicates Z: 11 16.355 1.981 0.563 0.513 1.000 0.900 CA 1.650 11 residues pruned to eliminate duplicates Z: 36 33.262 2.226 0.729 0.575 0.886 0.714 CB 1.535 36 residues pruned to eliminate duplicates Z: 12 20.262 2.160 0.694 0.716 0.818 0.636 CB 1.678 12 residues pruned to eliminate duplicates Z: 8 2.816 1.461 0.091 0.490 0.714 0.571 CB 0.944 8 residues pruned to eliminate duplicates 6 1.754 1.641 -0.175 0.253 0.800 0.200 N 0.961 ? Z: 118 78.517 2.397 0.800 0.561 0.940 0.675 CB 1.687 118 residues pruned to eliminate duplicates Z: 20 27.681 2.334 0.971 0.514 0.842 0.684 CB 1.616 20 residues pruned to eliminate duplicates Z: 10 28.166 2.259 0.768 0.886 1.000 1.000 CA 1.695 10 residues pruned to eliminate duplicates Z: 15 20.052 2.229 0.636 0.501 0.857 0.714 CB 1.714 15 residues pruned to eliminate duplicates Z: 19 25.746 1.991 0.417 0.842 1.000 0.778 CB 1.603 19 residues pruned to eliminate duplicates Z: 25 25.132 2.308 0.482 0.452 0.875 0.667 CB 1.802 25 residues pruned to eliminate duplicates Z: 6 3.005 1.288 0.134 0.844 1.000 0.800 C 0.684 6 residues pruned to eliminate duplicates Z: 58 52.366 2.417 0.825 0.530 0.877 0.737 CB 1.740 58 residues pruned to eliminate duplicates Z: 10 36.855 2.279 1.178 0.924 1.000 1.000 C 1.738 10 residues pruned to eliminate duplicates Z: 40 35.474 2.267 0.729 0.540 0.897 0.744 CB 1.554 40 residues pruned to eliminate duplicates Z: 18 27.098 2.351 0.233 0.864 0.941 0.882 CB 1.767 18 residues pruned to eliminate duplicates Z: 17 10.922 1.858 0.505 0.471 0.875 0.562 CB 1.149 17 residues pruned to eliminate duplicates Z: 6 8.914 1.931 0.090 0.782 1.000 0.600 CA 1.477 6 residues pruned to eliminate duplicates Z: 9 10.658 2.047 0.934 0.373 0.875 0.750 CB 1.245 9 residues pruned to eliminate duplicates Z: 10 28.842 2.218 0.841 0.879 1.000 0.889 CB 1.707 10 residues pruned to eliminate duplicates Z: 22 56.148 2.271 1.159 0.917 1.000 0.810 CB 1.764 22 residues pruned to eliminate duplicates Z: 6 2.587 1.254 0.186 0.838 1.000 0.600 N 0.581 6 residues pruned to eliminate duplicates Z: 14 36.736 2.516 1.065 0.694 0.923 0.769 CB 1.779 16 residues pruned to eliminate duplicates Z: 20 22.544 2.261 0.549 0.512 0.947 0.632 CB 1.541 20 residues pruned to eliminate duplicates Z: 12 36.247 2.520 0.984 0.779 0.909 0.727 CB 1.880 12 residues pruned to eliminate duplicates Z: 25 33.155 2.425 0.647 0.495 0.958 0.667 CB 1.776 25 residues pruned to eliminate duplicates Z: 13 21.609 2.255 0.686 0.521 0.917 0.667 CB 1.753 13 residues pruned to eliminate duplicates Z: 38 31.794 2.191 0.492 0.562 0.919 0.730 CB 1.638 38 residues pruned to eliminate duplicates Z: 17 20.943 2.005 0.236 0.931 1.000 0.875 CB 1.477 17 residues pruned to eliminate duplicates Z: 39 31.825 2.209 0.645 0.595 0.895 0.763 CB 1.450 39 residues pruned to eliminate duplicates Z: 42 37.056 2.264 0.684 0.495 0.902 0.756 CB 1.690 42 residues pruned to eliminate duplicates Z: 23 50.783 2.190 1.164 0.913 1.000 0.818 CB 1.617 23 residues pruned to eliminate duplicates Z: 16 36.220 2.452 0.936 0.587 0.933 0.733 CA 1.942 16 residues pruned to eliminate duplicates Z: 8 5.072 1.637 0.065 0.604 0.857 0.571 CB 1.162 8 residues pruned to eliminate duplicates Z: 64 38.508 2.163 0.493 0.548 0.952 0.698 CB 1.506 64 residues pruned to eliminate duplicates Z: 37 49.626 2.237 0.732 0.775 1.000 0.778 CB 1.675 37 residues pruned to eliminate duplicates Z: 9 7.772 1.728 0.673 0.582 0.875 0.750 CB 1.004 9 residues pruned to eliminate duplicates Z: 37 53.475 2.287 0.903 0.779 0.917 0.722 CB 1.748 37 residues pruned to eliminate duplicates Z: 9 12.811 1.919 1.027 0.730 0.875 0.875 CB 1.082 9 residues pruned to eliminate duplicates Z: 15 11.205 1.900 0.344 0.567 1.000 0.786 CB 1.100 11 residues pruned to eliminate duplicates Z: 9 16.963 2.108 0.611 0.694 0.875 0.625 CB 1.691 9 residues pruned to eliminate duplicates Z: 26 39.667 2.130 0.837 0.834 0.880 0.760 CA 1.727 26 residues pruned to eliminate duplicates Z: 9 17.050 2.033 0.483 0.856 1.000 0.875 CB 1.474 9 residues pruned to eliminate duplicates Z: 8 9.786 1.766 0.706 0.584 0.857 0.857 CA 1.321 8 residues pruned to eliminate duplicates Z: 7 5.408 1.931 0.331 0.820 0.833 0.500 CB 0.781 7 residues pruned to eliminate duplicates Z: 23 47.521 2.129 0.945 0.880 1.000 0.591 CA 1.773 23 residues pruned to eliminate duplicates Z: 18 19.271 2.044 0.685 0.603 0.882 0.706 CB 1.395 18 residues pruned to eliminate duplicates Z: 77 58.246 2.306 0.640 0.579 0.947 0.737 CB 1.729 77 residues pruned to eliminate duplicates Z: 16 29.268 2.270 0.861 0.648 1.000 0.867 CB 1.558 16 residues pruned to eliminate duplicates Z: 7 10.915 2.107 0.365 0.842 0.833 0.833 CA 1.386 7 residues pruned to eliminate duplicates Z: 18 18.479 2.143 0.512 0.479 0.882 0.588 CB 1.602 19 residues pruned to eliminate duplicates Z: 71 51.456 2.190 0.783 0.597 0.886 0.686 CB 1.621 71 residues pruned to eliminate duplicates Z: 18 20.605 1.908 0.255 0.929 1.000 0.882 CB 1.460 18 residues pruned to eliminate duplicates Z: 16 38.852 2.511 0.772 0.702 0.933 0.733 CA 2.009 16 residues pruned to eliminate duplicates Z: 11 22.656 2.107 0.825 0.617 1.000 0.800 CB 1.669 Z: 64 58.684 2.358 0.925 0.590 0.905 0.619 CB 1.651 64 residues pruned to eliminate duplicates Z: 6 4.851 1.792 0.462 0.295 0.800 0.600 CB 1.302 6 residues pruned to eliminate duplicates Z: 30 39.563 2.518 0.760 0.544 0.862 0.655 CB 1.842 30 residues pruned to eliminate duplicates Z: 27 33.423 2.324 0.837 0.504 0.923 0.731 CB 1.656 27 residues pruned to eliminate duplicates Z: 10 30.157 2.284 0.835 0.874 1.000 0.778 CB 1.747 10 residues pruned to eliminate duplicates Z: 18 17.460 2.013 0.708 0.537 0.882 0.824 CB 1.347 18 residues pruned to eliminate duplicates Z: 16 17.690 1.975 0.838 0.418 0.933 0.667 CB 1.470 24 residues pruned to eliminate duplicates Z: 12 31.055 2.156 1.030 0.889 0.909 0.636 CB 1.694 12 residues pruned to eliminate duplicates Z: 9 15.711 1.946 0.600 0.733 1.000 0.875 CB 1.447 9 residues pruned to eliminate duplicates Z: 108 84.863 2.482 0.774 0.582 0.925 0.710 CB 1.861 108 residues pruned to eliminate duplicates Z: 20 23.177 2.259 0.579 0.541 0.895 0.737 CB 1.600 20 residues pruned to eliminate duplicates Z: 49 44.663 2.217 0.818 0.574 0.938 0.562 CB 1.589 49 residues pruned to eliminate duplicates Z: 24 47.002 2.536 1.025 0.595 0.913 0.565 CB 1.908 24 residues pruned to eliminate duplicates Z: 34 40.997 2.264 0.784 0.580 0.970 0.758 CB 1.688 34 residues pruned to eliminate duplicates Z: 52 44.025 2.270 0.531 0.561 0.941 0.686 CB 1.777 52 residues pruned to eliminate duplicates Z: 9 23.640 2.362 0.695 0.816 0.875 0.625 CB 1.813 9 residues pruned to eliminate duplicates Z: 44 31.739 2.186 0.642 0.442 0.814 0.651 CB 1.758 44 residues pruned to eliminate duplicates Z: 11 6.440 1.687 0.036 0.540 0.900 0.500 N 1.245 Z: 23 53.509 2.290 1.016 0.905 0.955 0.864 CB 1.843 23 residues pruned to eliminate duplicates Z: 67 81.516 2.420 1.041 0.679 0.955 0.742 CB 1.805 67 residues pruned to eliminate duplicates Z: 7 4.315 1.278 0.177 0.802 1.000 0.667 N 0.899 7 residues pruned to eliminate duplicates Z: 18 29.323 1.912 0.873 0.913 1.000 0.706 CB 1.405 18 residues pruned to eliminate duplicates Z: 13 37.044 2.228 0.982 0.911 1.000 0.917 CA 1.717 13 residues pruned to eliminate duplicates Z: 110 74.070 2.429 0.686 0.563 0.927 0.716 CB 1.759 110 residues pruned to eliminate duplicates Z: 19 22.456 1.773 0.863 0.873 1.000 0.500 CB 1.167 19 residues pruned to eliminate duplicates Z: 12 33.249 2.188 0.981 0.919 1.000 0.909 CA 1.630 12 residues pruned to eliminate duplicates Z: 9 19.979 2.072 0.802 0.632 1.000 0.625 CB 1.671 9 residues pruned to eliminate duplicates Z: 6 5.210 1.591 0.120 0.522 1.000 0.800 N 1.280 6 residues pruned to eliminate duplicates Z: 13 9.497 2.012 0.366 0.574 0.833 0.667 CB 1.115 13 residues pruned to eliminate duplicates Z: 9 25.737 2.287 1.109 0.854 1.000 0.750 CB 1.394 9 residues pruned to eliminate duplicates Z: 37 37.072 2.245 0.611 0.566 0.944 0.694 CB 1.697 37 residues pruned to eliminate duplicates Z: 20 45.714 2.466 0.983 0.675 1.000 0.789 CB 1.825 20 residues pruned to eliminate duplicates Z: 35 19.784 1.937 0.457 0.555 0.941 0.735 CB 1.211 35 residues pruned to eliminate duplicates Z: 18 17.589 1.809 0.250 0.931 1.000 0.941 CB 1.318 18 residues pruned to eliminate duplicates Z: 10 30.876 2.358 0.849 0.892 1.000 0.889 CB 1.696 10 residues pruned to eliminate duplicates Z: 15 17.916 1.770 0.649 0.820 0.929 0.786 CA 1.338 15 residues pruned to eliminate duplicates Z: 32 33.152 2.143 0.806 0.613 0.903 0.677 CB 1.530 32 residues pruned to eliminate duplicates Z: 10 5.610 1.685 0.627 0.494 0.889 0.778 CB 0.772 Z: 107 97.337 2.520 0.889 0.604 0.925 0.698 CB 1.945 107 residues pruned to eliminate duplicates Z: 18 21.054 1.897 0.634 0.901 0.882 0.647 CB 1.332 18 residues pruned to eliminate duplicates Z: 24 73.594 2.505 1.212 0.916 0.957 0.739 CB 2.046 24 residues pruned to eliminate duplicates Z: 17 15.956 1.914 0.692 0.507 0.938 0.625 CB 1.305 17 residues pruned to eliminate duplicates Z: 32 40.168 2.421 0.720 0.496 0.903 0.710 CB 1.925 32 residues pruned to eliminate duplicates Z: 21 21.075 2.115 0.354 0.645 0.950 0.700 CB 1.513 21 residues pruned to eliminate duplicates Z: 16 24.950 2.272 0.883 0.417 0.933 0.467 CB 1.760 16 residues pruned to eliminate duplicates Z: 38 44.239 2.186 0.768 0.735 0.919 0.811 CB 1.659 38 residues pruned to eliminate duplicates Z: 26 19.997 2.198 0.580 0.460 0.760 0.640 CB 1.579 26 residues pruned to eliminate duplicates Z: 29 26.829 2.327 0.416 0.466 0.893 0.607 CB 1.784 29 residues pruned to eliminate duplicates Z: 38 70.545 2.430 1.180 0.703 0.946 0.622 CB 1.924 38 residues pruned to eliminate duplicates Z: 35 42.204 2.419 0.706 0.524 0.941 0.706 CB 1.820 35 residues pruned to eliminate duplicates Z: 14 20.857 1.782 0.758 0.935 1.000 1.000 CA 1.287 14 residues pruned to eliminate duplicates Z: 44 60.556 2.402 0.765 0.687 0.953 0.721 CB 1.924 44 residues pruned to eliminate duplicates Z: 12 35.732 2.645 0.729 0.706 1.000 0.727 CA 1.953 12 residues pruned to eliminate duplicates Z: 20 29.809 2.268 0.709 0.504 1.000 0.789 CB 1.758 19 residues pruned to eliminate duplicates Z: 21 33.273 2.010 0.586 0.937 1.000 0.950 CB 1.624 21 residues pruned to eliminate duplicates Z: 66 66.362 2.510 0.835 0.551 0.923 0.646 CB 1.842 66 residues pruned to eliminate duplicates Z: 112 82.021 2.338 0.968 0.590 0.928 0.712 CB 1.672 149 residues pruned to eliminate duplicates Z: 24 58.309 2.372 1.178 0.735 1.000 0.565 CB 1.904 Z: 9 17.561 2.285 0.692 0.545 0.875 0.625 CA 1.756 9 residues pruned to eliminate duplicates Z: 51 66.789 2.432 0.844 0.655 0.960 0.760 CB 1.900 51 residues pruned to eliminate duplicates Z: 11 4.448 1.719 0.417 0.304 0.800 0.500 CB 0.898 11 residues pruned to eliminate duplicates Z: 10 33.900 2.359 0.804 0.872 1.000 0.889 CA 1.936 10 residues pruned to eliminate duplicates Z: 56 71.209 2.419 0.988 0.651 0.927 0.709 CB 1.872 56 residues pruned to eliminate duplicates Z: 8 20.979 2.358 0.907 0.587 0.857 0.571 CA 1.892 8 residues pruned to eliminate duplicates Z: 13 15.213 2.292 0.850 0.438 0.667 0.583 CB 1.656 10 residues pruned to eliminate duplicates Z: 37 37.171 2.298 0.688 0.537 0.944 0.722 CB 1.631 37 residues pruned to eliminate duplicates Z: 17 22.149 2.290 0.404 0.471 1.000 0.688 CB 1.774 17 residues pruned to eliminate duplicates Z: 9 20.316 2.007 0.868 0.859 1.000 0.875 CA 1.410 9 residues pruned to eliminate duplicates Z: 43 50.846 2.294 0.908 0.568 0.881 0.595 CB 1.906 43 residues pruned to eliminate duplicates Z: 41 49.502 2.421 0.784 0.541 0.925 0.700 CB 1.882 41 residues pruned to eliminate duplicates Z: 13 34.447 2.076 1.009 0.923 1.000 0.917 CA 1.675 13 residues pruned to eliminate duplicates 6 1.481 1.431 0.095 0.293 0.800 0.400 CB 0.666 ? Z: 9 19.157 2.172 0.682 0.853 0.875 0.875 CB 1.566 9 residues pruned to eliminate duplicates Z: 14 18.045 1.855 0.479 0.895 1.000 0.769 CA 1.308 14 residues pruned to eliminate duplicates Z: 13 23.782 2.086 0.571 0.893 1.000 1.000 CB 1.504 13 residues pruned to eliminate duplicates Z: 6 3.004 1.593 0.272 0.382 1.000 0.800 CB 0.751 Z: 10 13.077 1.854 0.537 0.433 1.000 0.778 C 1.639 10 residues pruned to eliminate duplicates Z: 36 39.430 2.444 0.796 0.521 0.800 0.629 CB 1.860 36 residues pruned to eliminate duplicates Z: 10 30.907 2.320 0.858 0.895 1.000 0.889 CB 1.713 10 residues pruned to eliminate duplicates Z: 9 5.380 1.638 0.198 0.324 1.000 0.375 N 1.177 9 residues pruned to eliminate duplicates Z: 18 17.874 1.843 0.234 0.918 1.000 0.882 CB 1.344 18 residues pruned to eliminate duplicates Z: 20 33.290 2.396 0.740 0.543 0.947 0.789 CB 1.853 20 residues pruned to eliminate duplicates Z: 6 4.650 2.120 0.391 0.300 0.800 0.600 CB 1.101 6 residues pruned to eliminate duplicates Z: 16 40.962 2.226 0.972 0.893 0.933 0.867 CA 1.854 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.339 1.521 0.445 0.288 0.833 0.500 CB 1.228 7 residues pruned to eliminate duplicates Z: 6 4.068 1.582 0.358 0.314 0.800 0.400 CA 1.301 6 residues pruned to eliminate duplicates Z: 6 4.704 1.495 0.638 0.249 1.000 0.000 CA 1.147 6 residues pruned to eliminate duplicates Z: 17 12.650 1.873 0.675 0.506 0.812 0.500 CB 1.234 17 residues pruned to eliminate duplicates Z: 16 15.852 1.962 0.741 0.551 0.867 0.600 CB 1.315 16 residues pruned to eliminate duplicates Z: 17 15.696 1.924 0.724 0.536 0.875 0.562 CB 1.304 17 residues pruned to eliminate duplicates Z: 14 15.661 1.902 0.742 0.643 0.923 0.615 CB 1.243 14 residues pruned to eliminate duplicates Z: 6 4.551 1.450 0.673 0.337 1.000 0.600 CA 1.003 6 residues pruned to eliminate duplicates Z: 11 13.562 1.793 1.099 0.547 0.800 0.600 CB 1.360 11 residues pruned to eliminate duplicates Z: 6 3.782 1.753 0.348 0.327 0.800 0.800 CA 1.081 Z: 6 4.233 1.710 0.936 0.283 0.600 0.400 CA 1.217 6 residues pruned to eliminate duplicates Z: 32 48.550 2.276 0.813 0.775 0.903 0.774 CB 1.836 24 residues pruned to eliminate duplicates Z: 6 5.908 1.907 0.616 0.255 1.000 0.800 CA 1.136 6 residues pruned to eliminate duplicates Z: 39 53.445 2.205 0.869 0.755 1.000 0.658 CB 1.677 45 residues pruned to eliminate duplicates Z: 25 48.902 2.282 0.953 0.797 0.958 0.667 CB 1.803 25 residues pruned to eliminate duplicates Z: 65 59.389 2.267 0.785 0.607 0.906 0.734 CB 1.828 97 residues pruned to eliminate duplicates Z: 38 54.031 2.236 0.863 0.777 1.000 0.703 CB 1.670 Z: 24 40.280 2.154 0.716 0.917 1.000 0.913 CB 1.604 24 residues pruned to eliminate duplicates Z: 37 51.868 2.287 0.711 0.783 1.000 0.861 CB 1.722 37 residues pruned to eliminate duplicates Z: 20 32.005 2.087 0.470 0.898 1.000 0.789 CA 1.713 20 residues pruned to eliminate duplicates Z: 32 56.252 2.296 0.879 0.792 0.968 0.806 CB 1.873 32 residues pruned to eliminate duplicates Z: 32 56.287 2.272 0.903 0.780 1.000 0.774 CB 1.826 32 residues pruned to eliminate duplicates Z: 38 53.277 2.260 0.764 0.769 1.000 0.865 CB 1.732 38 residues pruned to eliminate duplicates Z: 37 62.518 2.292 1.040 0.795 1.000 0.806 CB 1.721 37 residues pruned to eliminate duplicates Z: 23 47.821 2.191 1.070 0.891 0.955 0.636 CB 1.694 24 residues pruned to eliminate duplicates Z: 22 54.483 2.261 1.103 0.904 1.000 0.571 CB 1.781 22 residues pruned to eliminate duplicates Z: 38 56.805 2.238 0.943 0.768 1.000 0.757 CB 1.695 38 residues pruned to eliminate duplicates Z: 32 60.046 2.278 1.125 0.793 0.968 0.677 CB 1.780 32 residues pruned to eliminate duplicates Z: 31 61.136 2.319 0.986 0.825 1.000 0.700 CB 1.829 31 residues pruned to eliminate duplicates Z: 33 57.201 2.259 0.979 0.779 0.969 0.656 CB 1.825 33 residues pruned to eliminate duplicates Z: 35 52.687 2.184 1.039 0.741 0.971 0.794 CB 1.685 35 residues pruned to eliminate duplicates Z: 37 59.382 2.283 0.973 0.782 1.000 0.778 CB 1.714 37 residues pruned to eliminate duplicates Z: 38 56.159 2.161 1.077 0.721 0.973 0.703 CB 1.731 38 residues pruned to eliminate duplicates Z: 37 60.743 2.281 0.990 0.789 1.000 0.806 CB 1.731 37 residues pruned to eliminate duplicates Z: 24 47.766 2.110 1.111 0.906 1.000 0.652 CB 1.590 24 residues pruned to eliminate duplicates Z: 33 57.435 2.256 1.127 0.782 0.969 0.750 CB 1.703 33 residues pruned to eliminate duplicates Z: 73 38.152 2.124 0.501 0.532 0.958 0.694 CB 1.426 73 residues pruned to eliminate duplicates Z: 35 33.752 2.281 0.694 0.558 0.853 0.647 CB 1.660 35 residues pruned to eliminate duplicates Z: 72 39.185 2.154 0.518 0.518 0.972 0.606 CB 1.437 72 residues pruned to eliminate duplicates Z: 64 42.477 2.209 0.547 0.562 0.952 0.667 CB 1.549 65 residues pruned to eliminate duplicates Z: 7 6.692 1.765 0.379 0.458 0.833 0.667 N 1.406 7 residues pruned to eliminate duplicates Z: 67 34.366 2.145 0.407 0.546 0.909 0.682 CB 1.475 67 residues pruned to eliminate duplicates Z: 34 36.062 2.301 0.623 0.555 0.909 0.697 CB 1.752 34 residues pruned to eliminate duplicates Z: 34 36.403 2.311 0.675 0.553 0.939 0.727 CB 1.655 34 residues pruned to eliminate duplicates Z: 38 34.679 2.278 0.554 0.539 0.919 0.676 CB 1.687 38 residues pruned to eliminate duplicates Z: 32 31.583 2.266 0.731 0.515 0.903 0.677 CB 1.577 32 residues pruned to eliminate duplicates Z: 66 38.226 2.163 0.529 0.538 0.908 0.646 CB 1.522 66 residues pruned to eliminate duplicates Z: 73 41.950 2.146 0.602 0.541 0.931 0.653 CB 1.485 73 residues pruned to eliminate duplicates Z: 56 39.294 2.243 0.549 0.518 0.945 0.691 CB 1.583 56 residues pruned to eliminate duplicates Z: 34 39.262 2.319 0.695 0.571 0.970 0.758 CB 1.675 34 residues pruned to eliminate duplicates Z: 35 34.596 2.298 0.610 0.517 0.912 0.647 CB 1.730 35 residues pruned to eliminate duplicates Z: 71 38.538 2.115 0.528 0.551 0.914 0.571 CB 1.483 71 residues pruned to eliminate duplicates Z: 71 42.253 2.186 0.543 0.552 0.943 0.714 CB 1.510 71 residues pruned to eliminate duplicates Z: 37 36.136 2.233 0.635 0.538 0.972 0.639 CB 1.635 37 residues pruned to eliminate duplicates Z: 34 32.437 2.194 0.630 0.516 0.909 0.636 CB 1.709 34 residues pruned to eliminate duplicates Z: 38 35.599 2.264 0.658 0.521 0.919 0.676 CB 1.662 38 residues pruned to eliminate duplicates Z: 49 35.658 2.247 0.684 0.474 0.875 0.562 CB 1.596 49 residues pruned to eliminate duplicates Z: 38 31.851 2.236 0.611 0.513 0.892 0.622 CB 1.609 38 residues pruned to eliminate duplicates Z: 32 34.118 2.312 0.675 0.503 0.871 0.742 CB 1.811 32 residues pruned to eliminate duplicates Z: 66 37.000 2.162 0.486 0.550 0.954 0.738 CB 1.426 66 residues pruned to eliminate duplicates Z: 37 38.397 2.291 0.710 0.537 0.972 0.750 CB 1.621 37 residues pruned to eliminate duplicates Z: 23 21.324 2.272 0.596 0.436 0.864 0.545 CB 1.551 23 residues pruned to eliminate duplicates Z: 72 39.859 2.158 0.583 0.524 0.915 0.690 CB 1.477 72 residues pruned to eliminate duplicates Z: 74 39.307 2.127 0.558 0.540 0.932 0.712 CB 1.433 74 residues pruned to eliminate duplicates Z: 66 38.143 2.178 0.490 0.552 0.938 0.708 CB 1.477 66 residues pruned to eliminate duplicates Z: 55 41.930 2.269 0.576 0.538 0.963 0.722 CB 1.596 55 residues pruned to eliminate duplicates Z: 66 38.612 2.162 0.505 0.549 0.923 0.662 CB 1.521 66 residues pruned to eliminate duplicates Z: 47 38.922 2.246 0.735 0.492 0.913 0.717 CB 1.626 47 residues pruned to eliminate duplicates Z: 37 19.187 1.961 0.384 0.533 0.917 0.750 CB 1.244 37 residues pruned to eliminate duplicates Z: 41 22.162 1.954 0.441 0.548 0.925 0.700 CB 1.285 41 residues pruned to eliminate duplicates Z: 62 40.965 2.202 0.601 0.576 0.951 0.738 CB 1.454 62 residues pruned to eliminate duplicates Z: 73 42.407 2.152 0.618 0.567 0.944 0.750 CB 1.424 72 residues pruned to eliminate duplicates Z: 7 6.669 1.755 0.238 0.644 0.833 0.333 CA 1.315 7 residues pruned to eliminate duplicates Z: 75 40.617 2.110 0.606 0.539 0.919 0.703 CB 1.458 75 residues pruned to eliminate duplicates Z: 40 24.538 1.992 0.490 0.591 0.923 0.744 CB 1.315 40 residues pruned to eliminate duplicates Z: 29 25.683 2.010 0.528 0.711 0.964 0.714 CB 1.353 29 residues pruned to eliminate duplicates Z: 33 20.991 2.009 0.400 0.587 0.938 0.719 CB 1.294 33 residues pruned to eliminate duplicates Z: 61 45.737 2.219 0.650 0.602 0.933 0.717 CB 1.569 61 residues pruned to eliminate duplicates Z: 34 20.735 1.987 0.457 0.597 0.939 0.545 CB 1.210 34 residues pruned to eliminate duplicates Z: 68 37.820 2.110 0.524 0.533 0.925 0.597 CB 1.504 68 residues pruned to eliminate duplicates Z: 72 41.827 2.164 0.618 0.567 0.958 0.704 CB 1.388 72 residues pruned to eliminate duplicates Z: 80 54.360 2.229 0.776 0.578 0.937 0.696 CB 1.529 79 residues pruned to eliminate duplicates Z: 18 17.565 1.843 0.444 0.897 0.941 0.647 CB 1.217 18 residues pruned to eliminate duplicates Z: 34 23.683 1.964 0.580 0.595 0.909 0.515 CB 1.334 34 residues pruned to eliminate duplicates Z: 73 41.423 2.118 0.685 0.542 0.917 0.694 CB 1.432 73 residues pruned to eliminate duplicates Z: 72 42.325 2.136 0.655 0.556 0.944 0.606 CB 1.426 72 residues pruned to eliminate duplicates Z: 28 18.933 1.850 0.588 0.689 0.926 0.593 CB 1.126 28 residues pruned to eliminate duplicates Z: 67 41.436 2.119 0.725 0.595 0.924 0.636 CB 1.378 67 residues pruned to eliminate duplicates Z: 33 26.128 1.938 0.731 0.619 0.906 0.688 CB 1.357 33 residues pruned to eliminate duplicates Z: 29 19.165 1.853 0.508 0.697 0.929 0.750 CB 1.167 29 residues pruned to eliminate duplicates Z: 20 23.635 1.883 0.737 0.791 1.000 0.684 CB 1.285 20 residues pruned to eliminate duplicates Z: 28 23.521 1.936 0.676 0.693 1.000 0.741 CB 1.169 29 residues pruned to eliminate duplicates Z: 17 25.630 1.918 0.794 0.925 1.000 0.688 CB 1.307 17 residues pruned to eliminate duplicates Z: 40 25.171 1.911 0.727 0.608 0.923 0.513 CB 1.194 40 residues pruned to eliminate duplicates Z: 73 38.362 2.104 0.620 0.519 0.903 0.583 CB 1.442 73 residues pruned to eliminate duplicates Z: 39 32.167 2.007 0.861 0.591 0.974 0.737 CB 1.315 39 residues pruned to eliminate duplicates Z: 6 4.695 1.341 0.846 0.461 1.000 0.800 CA 0.883 5 residues pruned to eliminate duplicates Z: 16 39.853 2.420 0.972 0.776 0.933 0.733 CB 1.812 16 residues pruned to eliminate duplicates Z: 32 47.071 2.458 0.995 0.532 0.903 0.677 CB 1.849 32 residues pruned to eliminate duplicates Z: 64 49.198 2.268 0.661 0.552 0.937 0.683 CB 1.670 37 residues pruned to eliminate duplicates Z: 7 21.869 2.323 0.689 0.793 1.000 0.833 CA 1.760 7 residues pruned to eliminate duplicates Z: 36 46.550 2.458 0.857 0.501 0.943 0.714 CB 1.827 36 residues pruned to eliminate duplicates Z: 38 46.581 2.435 0.743 0.528 0.973 0.676 CB 1.804 38 residues pruned to eliminate duplicates Z: 17 19.474 2.223 0.650 0.441 0.875 0.375 CB 1.612 17 residues pruned to eliminate duplicates Z: 43 46.039 2.409 0.738 0.472 0.976 0.619 CB 1.788 43 residues pruned to eliminate duplicates Z: 35 35.366 2.334 0.654 0.501 0.912 0.559 CB 1.721 35 residues pruned to eliminate duplicates Z: 65 42.795 2.237 0.590 0.503 0.938 0.641 CB 1.599 65 residues pruned to eliminate duplicates Z: 6 4.429 1.527 0.287 0.423 1.000 0.600 CA 1.092 6 residues pruned to eliminate duplicates Z: 43 47.154 2.438 0.811 0.514 0.905 0.667 CB 1.796 43 residues pruned to eliminate duplicates Z: 34 22.744 2.013 0.470 0.564 0.909 0.697 CB 1.383 34 residues pruned to eliminate duplicates Z: 8 8.643 1.880 0.683 0.433 0.857 0.571 CA 1.291 8 residues pruned to eliminate duplicates Z: 37 17.057 1.911 0.290 0.530 0.861 0.667 CB 1.299 37 residues pruned to eliminate duplicates Z: 36 28.176 1.985 0.475 0.655 0.971 0.743 CB 1.450 31 residues pruned to eliminate duplicates Z: 8 8.414 1.587 0.501 0.732 1.000 0.429 CB 1.084 8 residues pruned to eliminate duplicates Z: 65 47.120 2.260 0.658 0.556 0.922 0.672 CB 1.614 65 residues pruned to eliminate duplicates Z: 32 25.834 1.988 0.546 0.616 0.935 0.806 CB 1.446 32 residues pruned to eliminate duplicates Z: 34 22.322 1.953 0.408 0.603 0.939 0.758 CB 1.364 34 residues pruned to eliminate duplicates Z: 36 24.947 1.989 0.528 0.581 0.886 0.629 CB 1.449 36 residues pruned to eliminate duplicates Z: 22 20.705 1.989 0.359 0.708 1.000 0.810 CB 1.383 22 residues pruned to eliminate duplicates Z: 34 21.889 1.925 0.418 0.611 0.909 0.636 CB 1.382 34 residues pruned to eliminate duplicates Z: 24 19.928 1.921 0.479 0.679 0.913 0.652 CB 1.358 24 residues pruned to eliminate duplicates Z: 65 48.636 2.257 0.690 0.553 0.938 0.641 CB 1.615 70 residues pruned to eliminate duplicates Z: 18 18.367 1.863 0.520 0.896 0.941 0.765 CB 1.198 22 residues pruned to eliminate duplicates Z: 19 22.221 1.818 0.588 0.899 1.000 0.833 CB 1.296 19 residues pruned to eliminate duplicates Z: 32 28.355 2.015 0.635 0.637 0.935 0.677 CB 1.454 28 residues pruned to eliminate duplicates Z: 17 21.267 1.918 0.450 0.887 1.000 0.688 CB 1.379 17 residues pruned to eliminate duplicates Z: 24 20.136 1.928 0.476 0.648 0.957 0.609 CB 1.344 24 residues pruned to eliminate duplicates Z: 23 24.547 1.955 0.580 0.689 1.000 0.727 CB 1.425 22 residues pruned to eliminate duplicates Z: 38 27.609 2.037 0.671 0.533 0.892 0.595 CB 1.447 38 residues pruned to eliminate duplicates Z: 62 41.225 2.148 0.694 0.531 0.885 0.623 CB 1.589 38 residues pruned to eliminate duplicates Z: 17 23.969 1.938 0.671 0.899 1.000 0.750 CB 1.323 17 residues pruned to eliminate duplicates Z: 23 22.703 1.911 0.759 0.696 0.909 0.636 CB 1.324 23 residues pruned to eliminate duplicates Z: 38 27.047 1.982 0.685 0.532 0.919 0.568 CB 1.404 38 residues pruned to eliminate duplicates Z: 64 49.816 2.268 0.714 0.573 0.921 0.556 CB 1.635 64 residues pruned to eliminate duplicates Z: 38 26.544 1.958 0.662 0.545 0.946 0.595 CB 1.356 38 residues pruned to eliminate duplicates Z: 130 72.761 2.232 0.784 0.605 0.899 0.651 CB 1.619 76 residues pruned to eliminate duplicates Z: 6 2.841 1.800 0.121 0.196 0.800 0.400 CB 1.130 6 residues pruned to eliminate duplicates Z: 26 32.281 2.132 0.844 0.567 0.920 0.760 CB 1.673 26 residues pruned to eliminate duplicates Z: 27 25.228 2.064 0.699 0.581 0.923 0.692 CB 1.414 27 residues pruned to eliminate duplicates Z: 25 29.396 2.149 0.756 0.628 0.917 0.542 CB 1.538 25 residues pruned to eliminate duplicates Z: 26 30.490 2.124 0.755 0.611 0.960 0.800 CB 1.533 26 residues pruned to eliminate duplicates Z: 26 27.688 2.198 0.709 0.572 0.880 0.760 CB 1.562 26 residues pruned to eliminate duplicates Z: 25 33.426 2.171 0.819 0.605 0.958 0.833 CB 1.632 25 residues pruned to eliminate duplicates Z: 26 23.974 1.997 0.604 0.596 0.920 0.640 CB 1.484 26 residues pruned to eliminate duplicates Z: 28 26.230 2.069 0.715 0.576 0.889 0.741 CB 1.487 28 residues pruned to eliminate duplicates Z: 21 26.434 2.058 0.768 0.620 0.900 0.650 CB 1.612 21 residues pruned to eliminate duplicates Z: 42 36.747 2.210 0.757 0.538 0.878 0.707 CB 1.623 42 residues pruned to eliminate duplicates Z: 26 34.521 2.148 0.790 0.625 0.960 0.880 CB 1.663 26 residues pruned to eliminate duplicates Z: 25 33.605 2.175 0.708 0.597 1.000 0.750 CB 1.683 25 residues pruned to eliminate duplicates Z: 25 27.305 2.148 0.614 0.595 0.917 0.625 CB 1.602 25 residues pruned to eliminate duplicates Z: 20 26.400 2.212 0.628 0.663 0.947 0.684 CB 1.526 20 residues pruned to eliminate duplicates Z: 85 61.825 2.262 0.707 0.582 0.976 0.643 CB 1.654 85 residues pruned to eliminate duplicates Z: 27 30.099 2.108 0.756 0.576 0.923 0.654 CB 1.606 27 residues pruned to eliminate duplicates Z: 28 30.184 2.079 0.687 0.585 0.963 0.852 CB 1.586 28 residues pruned to eliminate duplicates Z: 69 42.188 2.066 0.702 0.569 0.956 0.647 CB 1.424 56 residues pruned to eliminate duplicates Z: 14 17.755 2.017 0.597 0.706 0.923 0.923 CB 1.374 14 residues pruned to eliminate duplicates Z: 59 57.865 2.242 0.821 0.680 0.931 0.845 CB 1.694 39 residues pruned to eliminate duplicates Z: 6 6.699 1.652 1.024 0.449 0.800 0.600 CA 1.181 6 residues pruned to eliminate duplicates Z: 7 13.137 2.020 1.280 0.380 0.833 0.833 CA 1.588 7 residues pruned to eliminate duplicates Z: 133 82.833 2.357 0.796 0.576 0.917 0.674 CB 1.726 58 residues pruned to eliminate duplicates Z: 6 6.789 1.717 0.755 0.464 1.000 1.000 CA 1.045 6 residues pruned to eliminate duplicates Z: 46 48.323 2.312 0.664 0.658 0.911 0.644 CB 1.775 46 residues pruned to eliminate duplicates Z: 66 69.192 2.391 0.847 0.646 0.938 0.646 CB 1.806 66 residues pruned to eliminate duplicates Z: 99 86.761 2.433 0.913 0.607 0.929 0.724 CB 1.832 99 residues pruned to eliminate duplicates Z: 46 45.644 2.344 0.764 0.656 0.844 0.644 CB 1.686 46 residues pruned to eliminate duplicates Z: 85 66.556 2.347 0.787 0.583 0.952 0.702 CB 1.678 85 residues pruned to eliminate duplicates Z: 70 68.722 2.363 0.849 0.629 0.957 0.638 CB 1.754 70 residues pruned to eliminate duplicates Z: 100 77.205 2.432 0.828 0.595 0.909 0.667 CB 1.753 100 residues pruned to eliminate duplicates Z: 129 80.306 2.363 0.714 0.590 0.922 0.656 CB 1.744 129 residues pruned to eliminate duplicates Z: 38 51.078 2.307 0.850 0.676 0.973 0.676 CB 1.720 38 residues pruned to eliminate duplicates Z: 51 48.050 2.234 0.721 0.671 0.920 0.700 CB 1.641 51 residues pruned to eliminate duplicates Z: 33 58.646 2.299 0.978 0.782 1.000 0.750 CB 1.778 33 residues pruned to eliminate duplicates Z: 66 70.463 2.417 0.913 0.634 0.923 0.600 CB 1.805 66 residues pruned to eliminate duplicates Z: 65 71.828 2.430 0.840 0.650 0.953 0.688 CB 1.832 65 residues pruned to eliminate duplicates Z: 72 68.585 2.394 0.852 0.613 0.944 0.648 CB 1.748 72 residues pruned to eliminate duplicates Z: 100 80.882 2.454 0.884 0.595 0.889 0.646 CB 1.805 100 residues pruned to eliminate duplicates Z: 65 70.029 2.411 0.897 0.629 0.938 0.672 CB 1.809 65 residues pruned to eliminate duplicates Z: 83 70.414 2.373 0.855 0.615 0.939 0.646 CB 1.687 83 residues pruned to eliminate duplicates Z: 44 58.951 2.367 0.899 0.688 0.953 0.767 CB 1.765 44 residues pruned to eliminate duplicates Z: 65 72.887 2.440 0.916 0.647 0.922 0.703 CB 1.844 65 residues pruned to eliminate duplicates Z: 131 82.208 2.328 0.790 0.584 0.938 0.646 CB 1.701 107 residues pruned to eliminate duplicates Z: 22 64.966 2.408 1.196 0.927 0.952 0.810 CA 1.973 22 residues pruned to eliminate duplicates Z: 107 88.670 2.437 0.854 0.595 0.962 0.632 CB 1.810 131 residues pruned to eliminate duplicates Z: 23 61.638 2.323 1.207 0.913 0.955 0.682 CA 1.900 23 residues pruned to eliminate duplicates Z: 25 13.373 1.988 0.802 0.333 0.792 0.583 CB 1.155 25 residues pruned to eliminate duplicates Z: 46 57.055 2.332 0.907 0.669 0.956 0.711 CB 1.712 46 residues pruned to eliminate duplicates Z: 46 58.437 2.276 0.931 0.714 0.978 0.756 CB 1.670 46 residues pruned to eliminate duplicates Z: 44 61.015 2.381 0.957 0.696 0.953 0.767 CB 1.750 44 residues pruned to eliminate duplicates Z: 109 80.277 2.407 0.844 0.584 0.907 0.639 CB 1.769 109 residues pruned to eliminate duplicates Z: 66 71.938 2.415 0.913 0.644 0.938 0.677 CB 1.799 66 residues pruned to eliminate duplicates Z: 56 67.508 2.396 0.923 0.666 0.927 0.709 CB 1.827 56 residues pruned to eliminate duplicates Z: 69 62.823 2.507 0.843 0.522 0.882 0.588 CB 1.828 69 residues pruned to eliminate duplicates Z: 40 38.634 2.408 0.729 0.489 0.846 0.538 CB 1.775 40 residues pruned to eliminate duplicates Z: 98 86.546 2.465 0.924 0.618 0.918 0.680 CB 1.806 98 residues pruned to eliminate duplicates Z: 75 63.615 2.462 0.832 0.508 0.892 0.514 CB 1.822 75 residues pruned to eliminate duplicates Z: 33 44.707 2.499 0.891 0.550 0.844 0.594 CB 1.889 33 residues pruned to eliminate duplicates Z: 98 61.660 2.349 0.661 0.535 0.918 0.598 CB 1.689 76 residues pruned to eliminate duplicates Z: 9 18.096 1.990 0.790 0.747 1.000 0.750 CB 1.440 9 residues pruned to eliminate duplicates Z: 33 43.679 2.500 0.762 0.520 0.906 0.562 CB 1.896 33 residues pruned to eliminate duplicates Z: 67 65.051 2.488 0.834 0.530 0.924 0.636 CB 1.842 67 residues pruned to eliminate duplicates Z: 129 82.916 2.344 0.778 0.596 0.930 0.648 CB 1.726 129 residues pruned to eliminate duplicates Z: 70 63.238 2.377 0.822 0.585 0.942 0.623 CB 1.720 70 residues pruned to eliminate duplicates Z: 78 60.800 2.407 0.788 0.500 0.896 0.558 CB 1.798 78 residues pruned to eliminate duplicates Z: 98 64.387 2.331 0.718 0.539 0.928 0.608 CB 1.694 98 residues pruned to eliminate duplicates Z: 13 35.188 2.356 0.756 0.746 1.000 0.750 CA 1.971 13 residues pruned to eliminate duplicates Z: 95 85.691 2.452 0.912 0.592 0.947 0.628 CB 1.823 95 residues pruned to eliminate duplicates Z: 23 42.521 2.543 0.857 0.546 0.955 0.545 CB 1.924 23 residues pruned to eliminate duplicates Z: 34 44.463 2.451 0.788 0.543 0.909 0.545 CB 1.864 34 residues pruned to eliminate duplicates Z: 55 54.852 2.421 0.845 0.517 0.944 0.593 CB 1.739 55 residues pruned to eliminate duplicates Z: 70 72.729 2.364 0.971 0.652 0.942 0.681 CB 1.732 70 residues pruned to eliminate duplicates Z: 34 47.675 2.449 0.817 0.517 0.970 0.576 CB 1.893 34 residues pruned to eliminate duplicates Z: 158 80.584 2.288 0.740 0.568 0.930 0.637 CB 1.626 134 residues pruned to eliminate duplicates Z: 13 44.024 2.725 1.036 0.644 1.000 0.500 CB 2.003 13 residues pruned to eliminate duplicates Z: 57 62.361 2.503 0.873 0.520 0.946 0.500 CB 1.841 57 residues pruned to eliminate duplicates Z: 70 64.161 2.465 0.842 0.523 0.913 0.551 CB 1.821 70 residues pruned to eliminate duplicates Z: 64 79.056 2.439 0.964 0.680 0.952 0.746 CB 1.850 64 residues pruned to eliminate duplicates Z: 62 67.558 2.402 0.980 0.609 0.918 0.574 CB 1.787 62 residues pruned to eliminate duplicates Z: 33 51.788 2.523 0.954 0.538 0.938 0.562 CB 1.909 33 residues pruned to eliminate duplicates Z: 23 39.868 2.512 0.867 0.529 0.909 0.500 CB 1.938 23 residues pruned to eliminate duplicates Z: 62 62.055 2.485 0.869 0.515 0.918 0.623 CB 1.836 62 residues pruned to eliminate duplicates Z: 72 43.330 2.220 0.634 0.501 0.915 0.648 CB 1.546 72 residues pruned to eliminate duplicates Z: 99 63.261 2.312 0.782 0.520 0.908 0.622 CB 1.673 99 residues pruned to eliminate duplicates Z: 58 61.160 2.475 0.906 0.517 0.930 0.561 CB 1.816 58 residues pruned to eliminate duplicates Z: 90 54.352 2.304 0.619 0.486 0.933 0.584 CB 1.680 90 residues pruned to eliminate duplicates Z: 49 43.587 2.411 0.802 0.476 0.875 0.562 CB 1.696 49 residues pruned to eliminate duplicates Z: 34 50.270 2.484 1.002 0.558 0.909 0.697 CB 1.830 34 residues pruned to eliminate duplicates Z: 16 16.697 2.281 0.566 0.339 0.933 0.667 CB 1.541 16 residues pruned to eliminate duplicates Z: 16 18.180 2.256 0.706 0.394 0.800 0.600 CB 1.705 16 residues pruned to eliminate duplicates Z: 33 50.928 2.551 0.921 0.554 0.906 0.625 CB 1.923 33 residues pruned to eliminate duplicates Z: 34 45.800 2.477 0.837 0.560 0.909 0.697 CB 1.819 34 residues pruned to eliminate duplicates Z: 36 44.305 2.399 0.844 0.503 0.914 0.629 CB 1.845 36 residues pruned to eliminate duplicates Z: 134 75.655 2.295 0.720 0.580 0.932 0.669 CB 1.650 134 residues pruned to eliminate duplicates Z: 35 49.068 2.522 0.789 0.535 0.941 0.618 CB 1.915 35 residues pruned to eliminate duplicates Z: 70 40.714 2.165 0.598 0.502 0.899 0.594 CB 1.573 70 residues pruned to eliminate duplicates Z: 37 42.144 2.393 0.776 0.498 0.917 0.528 CB 1.807 37 residues pruned to eliminate duplicates Z: 33 40.199 2.356 0.784 0.511 0.875 0.688 CB 1.911 33 residues pruned to eliminate duplicates Z: 64 45.849 2.278 0.539 0.554 0.952 0.651 CB 1.641 64 residues pruned to eliminate duplicates Z: 31 51.746 2.524 1.007 0.586 0.933 0.567 CB 1.839 31 residues pruned to eliminate duplicates Z: 36 46.840 2.468 0.789 0.510 0.943 0.686 CB 1.883 36 residues pruned to eliminate duplicates Z: 30 52.830 2.550 1.007 0.634 0.931 0.724 CB 1.816 30 residues pruned to eliminate duplicates Z: 39 44.831 2.273 0.953 0.583 0.921 0.684 CB 1.643 39 residues pruned to eliminate duplicates Z: 13 27.503 2.459 0.949 0.555 0.833 0.583 CB 1.885 13 residues pruned to eliminate duplicates Z: 23 23.552 2.159 0.901 0.456 0.864 0.591 CB 1.482 23 residues pruned to eliminate duplicates Z: 14 28.828 2.429 0.971 0.588 0.923 0.538 CB 1.662 14 residues pruned to eliminate duplicates Z: 6 10.423 1.954 1.237 0.345 1.000 0.600 CA 1.262 6 residues pruned to eliminate duplicates Z: 19 25.837 2.364 0.988 0.482 0.833 0.667 CB 1.584 19 residues pruned to eliminate duplicates Z: 59 39.118 2.104 0.693 0.586 0.948 0.655 CB 1.399 59 residues pruned to eliminate duplicates Z: 15 23.809 2.240 0.907 0.576 0.857 0.571 CB 1.615 15 residues pruned to eliminate duplicates Z: 20 25.315 2.275 1.026 0.451 0.842 0.579 CB 1.574 20 residues pruned to eliminate duplicates Z: 42 29.362 2.097 0.807 0.508 0.878 0.512 CB 1.367 42 residues pruned to eliminate duplicates Z: 17 23.201 2.181 0.809 0.532 0.875 0.688 CB 1.629 17 residues pruned to eliminate duplicates Z: 68 73.607 2.490 0.934 0.593 0.910 0.582 CB 1.876 68 residues pruned to eliminate duplicates Z: 64 77.733 2.511 0.899 0.650 0.937 0.683 CB 1.907 64 residues pruned to eliminate duplicates Z: 60 77.458 2.596 0.876 0.657 0.898 0.797 CB 1.992 60 residues pruned to eliminate duplicates Z: 45 61.497 2.453 0.878 0.659 0.932 0.705 CB 1.863 45 residues pruned to eliminate duplicates Z: 78 78.031 2.550 0.861 0.586 0.909 0.740 CB 1.897 78 residues pruned to eliminate duplicates Z: 134 87.782 2.430 0.717 0.592 0.947 0.722 CB 1.764 134 residues pruned to eliminate duplicates Z: 65 80.898 2.521 0.907 0.633 0.953 0.672 CB 1.948 65 residues pruned to eliminate duplicates Z: 63 72.014 2.549 0.761 0.639 0.919 0.742 CB 1.946 63 residues pruned to eliminate duplicates Z: 41 70.277 2.536 1.036 0.715 0.925 0.700 CB 1.915 41 residues pruned to eliminate duplicates Z: 64 75.578 2.570 0.838 0.632 0.921 0.730 CB 1.935 64 residues pruned to eliminate duplicates Z: 100 86.816 2.550 0.759 0.592 0.919 0.717 CB 1.939 100 residues pruned to eliminate duplicates Z: 126 93.495 2.486 0.766 0.605 0.928 0.696 CB 1.859 126 residues pruned to eliminate duplicates Z: 128 91.616 2.470 0.765 0.595 0.921 0.701 CB 1.848 128 residues pruned to eliminate duplicates Z: 79 80.464 2.521 0.864 0.601 0.936 0.718 CB 1.881 79 residues pruned to eliminate duplicates Z: 127 99.795 2.487 0.887 0.598 0.929 0.675 CB 1.857 127 residues pruned to eliminate duplicates Z: 63 90.567 2.575 1.117 0.664 0.919 0.726 CB 1.972 63 residues pruned to eliminate duplicates Z: 78 81.094 2.555 0.931 0.586 0.896 0.662 CB 1.924 78 residues pruned to eliminate duplicates Z: 60 81.231 2.581 0.980 0.646 0.915 0.729 CB 1.973 60 residues pruned to eliminate duplicates Z: 60 88.367 2.604 1.027 0.668 0.932 0.746 CB 2.002 60 residues pruned to eliminate duplicates Z: 45 76.196 2.517 1.078 0.701 0.955 0.682 CB 1.916 45 residues pruned to eliminate duplicates Z: 61 79.482 2.560 0.928 0.654 0.917 0.733 CB 1.965 61 residues pruned to eliminate duplicates Z: 36 74.582 2.554 1.186 0.722 0.943 0.771 CB 1.959 36 residues pruned to eliminate duplicates Z: 46 64.191 2.505 0.974 0.660 0.867 0.600 CB 1.925 46 residues pruned to eliminate duplicates Z: 63 79.766 2.564 0.938 0.653 0.919 0.710 CB 1.923 63 residues pruned to eliminate duplicates Z: 61 84.224 2.578 1.003 0.657 0.933 0.733 CB 1.951 61 residues pruned to eliminate duplicates Z: 43 68.405 2.525 0.994 0.690 0.929 0.738 CB 1.897 43 residues pruned to eliminate duplicates Z: 43 67.195 2.521 0.992 0.686 0.905 0.714 CB 1.925 43 residues pruned to eliminate duplicates Z: 127 91.486 2.462 0.809 0.587 0.929 0.706 CB 1.813 127 residues pruned to eliminate duplicates Z: 78 72.332 2.523 0.797 0.572 0.909 0.727 CB 1.866 78 residues pruned to eliminate duplicates Z: 45 63.700 2.460 0.988 0.669 0.909 0.818 CB 1.848 45 residues pruned to eliminate duplicates Z: 62 83.884 2.565 1.025 0.637 0.918 0.738 CB 1.982 62 residues pruned to eliminate duplicates Z: 127 94.209 2.493 0.826 0.602 0.905 0.722 CB 1.850 127 residues pruned to eliminate duplicates Z: 62 84.891 2.569 1.027 0.675 0.934 0.787 CB 1.901 62 residues pruned to eliminate duplicates Z: 41 71.213 2.498 1.042 0.715 0.925 0.700 CA 1.963 41 residues pruned to eliminate duplicates Z: 41 68.788 2.505 0.979 0.715 0.925 0.725 CA 1.952 41 residues pruned to eliminate duplicates Z: 40 75.585 2.523 1.072 0.718 0.949 0.718 CB 2.004 40 residues pruned to eliminate duplicates Z: 69 71.506 2.474 0.851 0.612 0.897 0.632 CB 1.897 69 residues pruned to eliminate duplicates Z: 141 97.585 2.419 0.814 0.581 0.950 0.714 CB 1.830 141 residues pruned to eliminate duplicates Z: 61 91.115 2.573 1.065 0.679 0.950 0.750 CB 1.976 61 residues pruned to eliminate duplicates Z: 76 81.447 2.541 0.944 0.596 0.920 0.693 CB 1.888 76 residues pruned to eliminate duplicates Z: 80 76.286 2.511 0.830 0.590 0.924 0.633 CB 1.855 80 residues pruned to eliminate duplicates Z: 134 83.404 2.404 0.729 0.576 0.925 0.699 CB 1.748 134 residues pruned to eliminate duplicates Z: 24 40.714 2.508 0.930 0.490 0.957 0.652 CB 1.853 24 residues pruned to eliminate duplicates Z: 127 87.877 2.457 0.731 0.592 0.929 0.683 CB 1.816 127 residues pruned to eliminate duplicates Z: 61 84.937 2.566 1.024 0.648 0.933 0.700 CB 1.971 61 residues pruned to eliminate duplicates Z: 154 97.902 2.403 0.826 0.590 0.935 0.699 CB 1.770 154 residues pruned to eliminate duplicates Z: 63 85.077 2.534 1.035 0.640 0.935 0.597 CB 1.965 63 residues pruned to eliminate duplicates Z: 137 90.054 2.386 0.814 0.583 0.926 0.640 CB 1.778 137 residues pruned to eliminate duplicates Z: 62 84.179 2.541 1.024 0.650 0.951 0.672 CB 1.918 62 residues pruned to eliminate duplicates Z: 30 35.761 2.468 0.599 0.553 0.897 0.621 CB 1.782 30 residues pruned to eliminate duplicates Z: 61 82.366 2.565 0.990 0.643 0.917 0.683 CB 1.988 61 residues pruned to eliminate duplicates Z: 64 79.902 2.546 0.928 0.629 0.952 0.698 CB 1.908 64 residues pruned to eliminate duplicates Z: 61 83.452 2.574 0.919 0.645 0.950 0.750 CB 2.005 61 residues pruned to eliminate duplicates Z: 75 75.450 2.449 0.893 0.615 0.959 0.635 CB 1.768 75 residues pruned to eliminate duplicates Z: 129 90.892 2.466 0.716 0.591 0.945 0.672 CB 1.841 129 residues pruned to eliminate duplicates Z: 78 75.882 2.526 0.859 0.587 0.909 0.623 CB 1.864 78 residues pruned to eliminate duplicates Z: 22 21.161 2.367 0.562 0.378 0.810 0.524 CB 1.756 22 residues pruned to eliminate duplicates Z: 129 92.926 2.470 0.783 0.584 0.930 0.664 CB 1.852 129 residues pruned to eliminate duplicates Z: 7 16.120 2.280 0.965 0.444 0.833 0.667 C 1.868 7 residues pruned to eliminate duplicates Z: 127 97.787 2.488 0.824 0.604 0.929 0.690 CB 1.873 127 residues pruned to eliminate duplicates Z: 20 18.181 2.328 0.516 0.347 0.789 0.632 CB 1.767 20 residues pruned to eliminate duplicates Z: 50 50.317 2.497 0.770 0.461 0.878 0.612 CB 1.929 50 residues pruned to eliminate duplicates Z: 80 80.523 2.495 0.912 0.585 0.924 0.684 CB 1.894 80 residues pruned to eliminate duplicates Z: 87 61.941 2.357 0.703 0.563 0.884 0.640 CB 1.771 87 residues pruned to eliminate duplicates Z: 78 50.453 2.249 0.697 0.501 0.922 0.688 CB 1.632 78 residues pruned to eliminate duplicates Z: 72 53.484 2.357 0.612 0.508 0.901 0.662 CB 1.839 72 residues pruned to eliminate duplicates Z: 70 54.530 2.393 0.618 0.548 0.899 0.739 CB 1.801 70 residues pruned to eliminate duplicates Z: 47 43.849 2.472 0.561 0.457 0.935 0.543 CB 1.872 47 residues pruned to eliminate duplicates Z: 66 55.183 2.376 0.616 0.555 0.938 0.754 CB 1.801 66 residues pruned to eliminate duplicates Z: 76 78.616 2.541 0.871 0.598 0.907 0.667 CB 1.919 76 residues pruned to eliminate duplicates Z: 73 46.492 2.320 0.532 0.497 0.889 0.681 CB 1.740 73 residues pruned to eliminate duplicates Z: 81 57.468 2.372 0.617 0.516 0.938 0.663 CB 1.758 81 residues pruned to eliminate duplicates Z: 70 54.014 2.395 0.579 0.521 0.928 0.638 CB 1.817 70 residues pruned to eliminate duplicates Z: 51 43.639 2.456 0.572 0.445 0.900 0.560 CB 1.878 51 residues pruned to eliminate duplicates Z: 35 38.912 2.332 0.731 0.505 0.882 0.559 CB 1.865 35 residues pruned to eliminate duplicates Z: 46 40.184 2.419 0.573 0.480 0.889 0.556 CB 1.807 46 residues pruned to eliminate duplicates Z: 127 95.377 2.490 0.767 0.607 0.937 0.722 CB 1.863 127 residues pruned to eliminate duplicates Z: 72 49.906 2.328 0.552 0.529 0.915 0.648 CB 1.741 72 residues pruned to eliminate duplicates Z: 93 62.329 2.266 0.669 0.574 0.946 0.696 CB 1.692 93 residues pruned to eliminate duplicates Z: 71 53.754 2.341 0.631 0.550 0.929 0.643 CB 1.726 71 residues pruned to eliminate duplicates Z: 43 40.187 2.394 0.657 0.514 0.857 0.667 CB 1.799 43 residues pruned to eliminate duplicates Z: 73 55.354 2.390 0.584 0.557 0.931 0.750 CB 1.752 73 residues pruned to eliminate duplicates Z: 127 92.617 2.478 0.767 0.612 0.905 0.722 CB 1.873 127 residues pruned to eliminate duplicates Z: 76 61.522 2.509 0.667 0.522 0.880 0.680 CB 1.889 76 residues pruned to eliminate duplicates Z: 16 20.763 2.267 0.534 0.451 0.867 0.667 CA 1.871 16 residues pruned to eliminate duplicates Z: 106 60.984 2.231 0.649 0.557 0.924 0.695 CB 1.657 201 residues pruned to eliminate duplicates Z: 129 92.530 2.449 0.785 0.599 0.922 0.711 CB 1.846 129 residues pruned to eliminate duplicates Z: 67 46.886 2.342 0.462 0.549 0.924 0.712 CB 1.739 67 residues pruned to eliminate duplicates Z: 72 55.202 2.352 0.577 0.549 0.944 0.704 CB 1.785 72 residues pruned to eliminate duplicates Z: 129 95.762 2.462 0.841 0.591 0.922 0.727 CB 1.857 129 residues pruned to eliminate duplicates Z: 67 61.289 2.526 0.662 0.522 0.909 0.667 CB 1.935 67 residues pruned to eliminate duplicates Z: 129 94.071 2.465 0.776 0.598 0.930 0.727 CB 1.861 129 residues pruned to eliminate duplicates Z: 35 41.038 2.357 0.723 0.538 0.941 0.647 CB 1.775 35 residues pruned to eliminate duplicates Z: 73 53.880 2.337 0.646 0.534 0.903 0.708 CB 1.770 73 residues pruned to eliminate duplicates Z: 127 98.532 2.457 0.819 0.606 0.944 0.706 CB 1.880 127 residues pruned to eliminate duplicates Z: 65 53.322 2.373 0.593 0.556 0.953 0.703 CB 1.752 65 residues pruned to eliminate duplicates Z: 134 95.640 2.450 0.806 0.596 0.947 0.744 CB 1.805 134 residues pruned to eliminate duplicates Z: 127 98.819 2.477 0.874 0.601 0.921 0.706 CB 1.872 127 residues pruned to eliminate duplicates Z: 35 30.546 2.186 0.589 0.607 0.912 0.794 CB 1.495 35 residues pruned to eliminate duplicates Z: 34 30.648 2.223 0.402 0.590 0.970 0.697 CB 1.619 34 residues pruned to eliminate duplicates Z: 33 40.765 2.466 0.806 0.505 0.844 0.688 CB 1.908 33 residues pruned to eliminate duplicates Z: 33 34.113 2.247 0.518 0.599 0.969 0.781 CB 1.661 33 residues pruned to eliminate duplicates Z: 46 49.789 2.480 0.695 0.485 0.956 0.711 CB 1.875 46 residues pruned to eliminate duplicates Z: 65 55.912 2.404 0.631 0.563 0.922 0.734 CB 1.819 65 residues pruned to eliminate duplicates Z: 127 100.251 2.480 0.887 0.596 0.921 0.738 CB 1.891 127 residues pruned to eliminate duplicates Z: 33 33.725 2.206 0.605 0.601 0.938 0.688 CB 1.632 33 residues pruned to eliminate duplicates Z: 67 56.485 2.376 0.665 0.563 0.939 0.742 CB 1.759 67 residues pruned to eliminate duplicates Z: 24 27.682 2.157 0.567 0.662 1.000 0.739 CB 1.470 24 residues pruned to eliminate duplicates Z: 67 52.196 2.378 0.673 0.526 0.909 0.682 CB 1.732 67 residues pruned to eliminate duplicates Z: 23 29.534 2.170 0.575 0.686 0.955 0.727 CB 1.627 23 residues pruned to eliminate duplicates Z: 73 55.875 2.352 0.662 0.536 0.917 0.681 CB 1.774 73 residues pruned to eliminate duplicates Z: 70 59.990 2.399 0.687 0.555 0.928 0.681 CB 1.823 70 residues pruned to eliminate duplicates Z: 80 56.406 2.344 0.638 0.529 0.911 0.684 CB 1.762 80 residues pruned to eliminate duplicates Z: 70 60.844 2.399 0.768 0.554 0.913 0.681 CB 1.794 70 residues pruned to eliminate duplicates Z: 71 61.961 2.400 0.780 0.564 0.914 0.643 CB 1.783 71 residues pruned to eliminate duplicates Z: 128 108.184 2.478 0.930 0.607 0.969 0.693 CB 1.872 128 residues pruned to eliminate duplicates Z: 67 60.073 2.377 0.789 0.564 0.909 0.652 CB 1.797 67 residues pruned to eliminate duplicates Z: 32 39.192 2.242 0.893 0.612 0.903 0.548 CB 1.652 32 residues pruned to eliminate duplicates Z: 55 64.303 2.350 0.961 0.590 0.963 0.574 CB 1.809 55 residues pruned to eliminate duplicates Z: 128 96.194 2.472 0.852 0.592 0.913 0.685 CB 1.869 128 residues pruned to eliminate duplicates Z: 39 35.154 2.116 0.811 0.542 0.921 0.526 CB 1.551 39 residues pruned to eliminate duplicates Z: 72 59.951 2.359 0.757 0.527 0.958 0.648 CB 1.745 72 residues pruned to eliminate duplicates Z: 127 101.958 2.473 0.910 0.592 0.944 0.714 CB 1.864 127 residues pruned to eliminate duplicates Z: 32 38.881 2.217 0.978 0.612 0.903 0.645 CB 1.586 32 residues pruned to eliminate duplicates Z: 49 38.147 2.161 0.806 0.610 0.875 0.646 CB 1.452 49 residues pruned to eliminate duplicates Z: 76 68.156 2.304 0.879 0.599 0.947 0.653 CB 1.747 76 residues pruned to eliminate duplicates Z: 81 65.779 2.395 0.754 0.537 0.938 0.675 CB 1.800 81 residues pruned to eliminate duplicates Z: 57 54.212 2.243 0.875 0.634 0.946 0.732 CB 1.606 57 residues pruned to eliminate duplicates Z: 28 27.342 2.119 0.814 0.586 0.852 0.704 CB 1.479 28 residues pruned to eliminate duplicates Z: 21 29.383 2.055 0.866 0.693 0.900 0.800 CA 1.596 21 residues pruned to eliminate duplicates Z: 27 29.084 2.068 1.049 0.566 0.846 0.615 CB 1.492 27 residues pruned to eliminate duplicates Z: 22 32.407 2.092 0.735 0.687 1.000 0.810 CB 1.641 22 residues pruned to eliminate duplicates Z: 59 45.808 2.184 0.801 0.590 0.914 0.707 CB 1.535 59 residues pruned to eliminate duplicates Z: 165 105.940 2.418 0.875 0.599 0.921 0.665 CB 1.803 165 residues pruned to eliminate duplicates Z: 21 26.208 2.086 0.684 0.608 0.900 0.750 CA 1.673 21 residues pruned to eliminate duplicates Z: 28 27.088 2.143 0.810 0.558 0.889 0.667 CB 1.430 28 residues pruned to eliminate duplicates Z: 59 43.309 2.180 0.730 0.584 0.879 0.690 CB 1.582 59 residues pruned to eliminate duplicates Z: 23 28.928 2.077 0.653 0.638 1.000 0.773 CB 1.578 23 residues pruned to eliminate duplicates Z: 14 19.786 1.900 0.683 0.787 1.000 0.923 CA 1.334 14 residues pruned to eliminate duplicates Z: 27 27.988 2.195 0.712 0.580 0.923 0.692 CB 1.466 27 residues pruned to eliminate duplicates Z: 58 48.461 2.187 0.861 0.586 0.947 0.684 CB 1.532 58 residues pruned to eliminate duplicates Z: 43 42.685 2.159 0.811 0.669 0.905 0.690 CB 1.592 43 residues pruned to eliminate duplicates Z: 25 25.758 2.052 0.628 0.567 0.958 0.708 CA 1.539 25 residues pruned to eliminate duplicates Z: 25 23.444 2.033 0.674 0.546 0.917 0.625 CB 1.466 25 residues pruned to eliminate duplicates Z: 47 47.404 2.198 0.937 0.652 0.935 0.804 CB 1.525 47 residues pruned to eliminate duplicates Z: 26 28.160 2.120 0.773 0.534 0.920 0.720 CB 1.575 26 residues pruned to eliminate duplicates Z: 27 27.528 2.182 0.784 0.537 0.923 0.654 CB 1.449 27 residues pruned to eliminate duplicates Z: 28 26.730 2.150 0.815 0.533 0.889 0.667 CB 1.435 28 residues pruned to eliminate duplicates Z: 8 4.728 2.021 0.642 0.291 0.714 0.571 CB 0.952 8 residues pruned to eliminate duplicates Z: 8 5.001 1.979 0.826 0.255 0.714 0.429 CB 0.970 8 residues pruned to eliminate duplicates Z: 110 72.221 2.331 0.823 0.548 0.917 0.661 CB 1.694 111 residues pruned to eliminate duplicates Z: 6 3.240 1.733 0.507 0.112 0.600 0.000 CB 1.512 6 residues pruned to eliminate duplicates Z: 39 33.588 2.142 0.722 0.557 0.921 0.711 CB 1.518 39 residues pruned to eliminate duplicates Z: 40 33.020 2.201 0.693 0.547 0.923 0.718 CB 1.469 40 residues pruned to eliminate duplicates Z: 14 15.743 2.231 0.803 0.614 0.692 0.692 CB 1.407 14 residues pruned to eliminate duplicates Z: 7 7.626 1.765 0.419 0.401 1.000 0.500 CA 1.379 7 residues pruned to eliminate duplicates Z: 14 20.143 2.185 0.871 0.665 0.846 0.615 CB 1.387 14 residues pruned to eliminate duplicates Z: 14 19.273 2.222 0.801 0.635 0.846 0.692 CB 1.390 14 residues pruned to eliminate duplicates Z: 113 68.207 2.312 0.802 0.538 0.884 0.705 CB 1.687 113 residues pruned to eliminate duplicates Z: 11 18.318 2.157 0.973 0.652 0.800 0.800 CB 1.476 11 residues pruned to eliminate duplicates Z: 15 16.268 1.863 0.623 0.595 1.000 0.643 CB 1.313 10 residues pruned to eliminate duplicates Z: 6 4.827 1.547 0.514 0.284 1.000 1.000 CA 1.176 6 residues pruned to eliminate duplicates Z: 44 59.737 2.404 0.868 0.648 0.930 0.674 CB 1.899 44 residues pruned to eliminate duplicates Z: 136 71.212 2.219 0.729 0.582 0.933 0.644 CB 1.583 136 residues pruned to eliminate duplicates Z: 45 65.321 2.432 0.847 0.680 0.955 0.705 CB 1.946 45 residues pruned to eliminate duplicates Z: 44 62.050 2.432 0.854 0.656 0.930 0.767 CB 1.950 44 residues pruned to eliminate duplicates Z: 62 69.908 2.392 0.861 0.642 0.951 0.656 CB 1.852 62 residues pruned to eliminate duplicates Z: 48 63.198 2.372 0.890 0.673 0.957 0.723 CB 1.830 48 residues pruned to eliminate duplicates Z: 61 68.807 2.406 0.813 0.654 0.950 0.683 CB 1.858 61 residues pruned to eliminate duplicates Z: 59 72.753 2.405 0.970 0.648 0.948 0.707 CB 1.853 59 residues pruned to eliminate duplicates Z: 44 65.387 2.468 0.875 0.653 0.953 0.767 CB 1.961 44 residues pruned to eliminate duplicates Z: 63 76.493 2.400 0.957 0.642 0.952 0.694 CB 1.904 63 residues pruned to eliminate duplicates Z: 45 62.885 2.431 0.876 0.644 0.932 0.682 CB 1.950 45 residues pruned to eliminate duplicates Z: 99 76.410 2.338 0.848 0.587 0.929 0.643 CB 1.770 99 residues pruned to eliminate duplicates Z: 41 71.241 2.468 0.976 0.677 0.975 0.775 CB 2.012 41 residues pruned to eliminate duplicates Z: 39 63.393 2.430 0.933 0.665 0.947 0.711 CB 1.984 39 residues pruned to eliminate duplicates Z: 60 75.786 2.411 0.978 0.638 0.966 0.712 CB 1.882 60 residues pruned to eliminate duplicates Z: 58 78.281 2.442 1.103 0.642 0.947 0.684 CB 1.866 58 residues pruned to eliminate duplicates Z: 59 73.495 2.412 1.020 0.626 0.931 0.621 CB 1.889 59 residues pruned to eliminate duplicates Z: 66 72.901 2.340 0.998 0.640 0.954 0.677 CB 1.779 66 residues pruned to eliminate duplicates Z: 85 75.736 2.375 0.888 0.603 0.929 0.667 CB 1.800 91 residues pruned to eliminate duplicates Z: 24 75.620 2.481 1.285 0.886 0.957 0.826 C 2.097 24 residues pruned to eliminate duplicates Z: 43 71.068 2.385 1.048 0.697 0.976 0.667 CB 1.921 43 residues pruned to eliminate duplicates Z: 60 70.122 2.384 0.947 0.611 0.949 0.695 CB 1.865 60 residues pruned to eliminate duplicates Z: 34 71.014 2.503 1.006 0.723 1.000 0.758 CB 2.014 34 residues pruned to eliminate duplicates Z: 63 75.339 2.386 0.930 0.654 0.968 0.661 CB 1.862 63 residues pruned to eliminate duplicates Z: 59 77.960 2.411 1.105 0.642 0.931 0.724 CB 1.896 59 residues pruned to eliminate duplicates Z: 41 73.984 2.479 0.994 0.696 0.975 0.750 CB 2.029 41 residues pruned to eliminate duplicates Z: 42 63.749 2.422 0.925 0.688 0.976 0.683 CB 1.843 42 residues pruned to eliminate duplicates Z: 47 58.754 2.263 0.892 0.694 0.978 0.761 CB 1.732 41 residues pruned to eliminate duplicates Z: 8 22.894 2.225 0.876 0.748 1.000 0.714 CA 1.661 8 residues pruned to eliminate duplicates Z: 59 74.292 2.363 1.026 0.627 0.966 0.603 CB 1.873 59 residues pruned to eliminate duplicates Z: 62 79.178 2.482 1.135 0.615 0.902 0.656 CB 1.902 62 residues pruned to eliminate duplicates Z: 67 79.642 2.497 1.012 0.611 0.955 0.667 CB 1.839 72 residues pruned to eliminate duplicates Z: 13 15.323 1.894 0.451 0.655 0.917 0.583 CA 1.520 13 residues pruned to eliminate duplicates Z: 93 64.877 2.411 0.735 0.523 0.957 0.641 CB 1.651 93 residues pruned to eliminate duplicates Z: 34 44.747 2.429 1.060 0.532 0.848 0.636 CB 1.777 34 residues pruned to eliminate duplicates Z: 84 65.962 2.476 0.793 0.530 0.904 0.663 CB 1.753 84 residues pruned to eliminate duplicates Z: 36 44.042 2.588 0.897 0.493 0.914 0.686 CB 1.669 36 residues pruned to eliminate duplicates Z: 46 52.903 2.468 0.928 0.493 0.956 0.644 CB 1.746 46 residues pruned to eliminate duplicates Z: 47 42.075 2.448 0.877 0.481 0.848 0.674 CB 1.623 47 residues pruned to eliminate duplicates Z: 97 71.744 2.430 0.811 0.541 0.927 0.625 CB 1.723 97 residues pruned to eliminate duplicates Z: 92 62.317 2.408 0.765 0.517 0.923 0.604 CB 1.637 92 residues pruned to eliminate duplicates Z: 38 51.183 2.512 1.001 0.518 0.946 0.649 CB 1.738 38 residues pruned to eliminate duplicates Z: 105 80.329 2.376 0.934 0.554 0.942 0.644 CB 1.726 105 residues pruned to eliminate duplicates Z: 99 71.413 2.414 0.734 0.543 0.949 0.684 CB 1.741 99 residues pruned to eliminate duplicates Z: 76 57.862 2.390 0.869 0.496 0.893 0.680 CB 1.681 76 residues pruned to eliminate duplicates Z: 26 29.811 2.393 0.889 0.415 0.920 0.480 CB 1.566 26 residues pruned to eliminate duplicates Z: 97 72.056 2.427 0.802 0.534 0.969 0.656 CB 1.679 97 residues pruned to eliminate duplicates Z: 75 78.600 2.515 0.945 0.556 0.932 0.595 CB 1.897 75 residues pruned to eliminate duplicates Z: 36 41.867 2.386 0.913 0.471 0.886 0.514 CB 1.803 36 residues pruned to eliminate duplicates Z: 46 44.928 2.356 0.829 0.489 0.933 0.622 CB 1.683 46 residues pruned to eliminate duplicates Z: 9 10.247 2.141 1.091 0.432 0.875 0.625 CB 0.993 9 residues pruned to eliminate duplicates Z: 51 33.564 2.261 0.729 0.416 0.880 0.580 CB 1.506 51 residues pruned to eliminate duplicates Z: 40 36.640 2.435 0.728 0.402 0.949 0.564 CB 1.629 40 residues pruned to eliminate duplicates Z: 21 21.753 2.307 0.841 0.447 0.750 0.550 CB 1.612 21 residues pruned to eliminate duplicates Z: 79 55.367 2.368 0.732 0.505 0.923 0.667 CB 1.648 79 residues pruned to eliminate duplicates Z: 38 40.662 2.523 0.762 0.442 0.892 0.676 CB 1.789 38 residues pruned to eliminate duplicates Z: 68 53.340 2.393 0.715 0.527 0.925 0.716 CB 1.671 68 residues pruned to eliminate duplicates Z: 72 75.157 2.513 0.928 0.584 0.915 0.676 CB 1.856 72 residues pruned to eliminate duplicates Z: 34 30.842 2.255 0.841 0.465 0.879 0.697 CB 1.525 34 residues pruned to eliminate duplicates Z: 6 9.034 1.846 0.873 0.386 1.000 0.600 CA 1.319 6 residues pruned to eliminate duplicates Z: 47 43.316 2.423 0.864 0.446 0.848 0.652 CB 1.762 47 residues pruned to eliminate duplicates Z: 74 53.628 2.343 0.691 0.509 0.918 0.644 CB 1.710 74 residues pruned to eliminate duplicates Z: 98 68.187 2.402 0.683 0.538 0.948 0.773 CB 1.739 98 residues pruned to eliminate duplicates Z: 65 50.771 2.334 0.590 0.535 0.969 0.672 CB 1.705 65 residues pruned to eliminate duplicates Z: 47 41.461 2.296 0.701 0.506 0.957 0.587 CB 1.627 47 residues pruned to eliminate duplicates Z: 30 29.707 2.183 0.617 0.525 0.966 0.724 CB 1.580 30 residues pruned to eliminate duplicates Z: 96 70.804 2.428 0.789 0.552 0.926 0.684 CB 1.716 96 residues pruned to eliminate duplicates Z: 26 23.147 2.074 0.602 0.487 0.920 0.560 CB 1.535 26 residues pruned to eliminate duplicates Z: 67 47.293 2.361 0.538 0.497 0.939 0.667 CB 1.712 67 residues pruned to eliminate duplicates Z: 91 60.299 2.363 0.713 0.507 0.911 0.678 CB 1.711 91 residues pruned to eliminate duplicates Z: 88 69.287 2.469 0.728 0.543 0.943 0.655 CB 1.772 88 residues pruned to eliminate duplicates Z: 66 47.789 2.343 0.621 0.537 0.938 0.662 CB 1.603 66 residues pruned to eliminate duplicates Z: 68 51.208 2.369 0.601 0.535 0.940 0.731 CB 1.694 68 residues pruned to eliminate duplicates Z: 66 49.032 2.387 0.585 0.520 0.923 0.708 CB 1.706 66 residues pruned to eliminate duplicates Z: 65 55.153 2.387 0.801 0.525 0.906 0.703 CB 1.726 65 residues pruned to eliminate duplicates Z: 97 68.316 2.414 0.715 0.555 0.948 0.719 CB 1.685 97 residues pruned to eliminate duplicates Z: 97 66.746 2.380 0.787 0.544 0.917 0.698 CB 1.674 97 residues pruned to eliminate duplicates Z: 97 68.024 2.422 0.703 0.539 0.927 0.719 CB 1.746 97 residues pruned to eliminate duplicates Z: 31 33.906 2.380 0.589 0.520 0.933 0.667 CB 1.719 31 residues pruned to eliminate duplicates Z: 66 50.172 2.354 0.651 0.524 0.938 0.692 CB 1.667 66 residues pruned to eliminate duplicates Z: 61 48.842 2.342 0.555 0.561 0.983 0.667 CB 1.659 61 residues pruned to eliminate duplicates Z: 43 43.939 2.370 0.719 0.505 0.976 0.667 CB 1.696 43 residues pruned to eliminate duplicates Z: 27 32.424 2.460 0.654 0.480 0.923 0.731 CB 1.729 27 residues pruned to eliminate duplicates Z: 77 53.669 2.390 0.637 0.521 0.908 0.671 CB 1.698 77 residues pruned to eliminate duplicates Z: 97 74.143 2.414 0.823 0.538 0.948 0.688 CB 1.749 97 residues pruned to eliminate duplicates Z: 129 90.633 2.452 0.831 0.557 0.930 0.688 CB 1.815 137 residues pruned to eliminate duplicates Z: 88 72.380 2.453 0.912 0.528 0.920 0.690 CB 1.751 88 residues pruned to eliminate duplicates Z: 49 35.982 2.252 0.697 0.441 0.896 0.583 CB 1.611 49 residues pruned to eliminate duplicates Z: 130 91.516 2.381 0.859 0.604 0.930 0.682 CB 1.772 167 residues pruned to eliminate duplicates Z: 97 76.874 2.443 0.820 0.570 0.938 0.698 CB 1.759 97 residues pruned to eliminate duplicates Z: 33 40.018 2.301 0.825 0.588 0.938 0.750 CB 1.653 33 residues pruned to eliminate duplicates Z: 49 39.145 2.339 0.685 0.511 0.875 0.667 CB 1.621 49 residues pruned to eliminate duplicates Z: 32 41.860 2.481 0.649 0.617 0.935 0.774 CB 1.759 32 residues pruned to eliminate duplicates Z: 37 37.148 2.344 0.558 0.586 0.972 0.750 CB 1.606 37 residues pruned to eliminate duplicates Z: 35 36.793 2.421 0.581 0.564 0.912 0.765 CB 1.698 35 residues pruned to eliminate duplicates Z: 38 41.964 2.414 0.754 0.529 0.919 0.676 CB 1.722 38 residues pruned to eliminate duplicates Z: 104 75.274 2.396 0.910 0.542 0.913 0.680 CB 1.704 104 residues pruned to eliminate duplicates Z: 97 75.924 2.419 0.915 0.543 0.927 0.688 CB 1.729 97 residues pruned to eliminate duplicates Z: 80 56.711 2.353 0.741 0.548 0.911 0.722 CB 1.630 80 residues pruned to eliminate duplicates Z: 30 29.861 2.189 0.522 0.604 0.931 0.690 CB 1.620 30 residues pruned to eliminate duplicates Z: 45 47.679 2.352 0.772 0.550 0.955 0.705 CB 1.722 45 residues pruned to eliminate duplicates Z: 99 76.579 2.412 0.855 0.549 0.939 0.704 CB 1.757 99 residues pruned to eliminate duplicates Z: 38 40.662 2.344 0.655 0.581 0.919 0.649 CB 1.735 38 residues pruned to eliminate duplicates Z: 38 35.358 2.370 0.609 0.469 0.919 0.622 CB 1.712 38 residues pruned to eliminate duplicates Z: 96 75.793 2.442 0.886 0.544 0.926 0.684 CB 1.747 96 residues pruned to eliminate duplicates Z: 38 38.396 2.287 0.846 0.555 0.892 0.622 CB 1.589 38 residues pruned to eliminate duplicates Z: 96 77.567 2.444 0.908 0.555 0.937 0.695 CB 1.726 96 residues pruned to eliminate duplicates Z: 37 34.441 2.294 0.743 0.552 0.861 0.611 CB 1.585 37 residues pruned to eliminate duplicates Z: 33 49.764 2.460 0.889 0.596 0.969 0.656 CB 1.784 33 residues pruned to eliminate duplicates Z: 97 74.831 2.421 0.879 0.547 0.927 0.635 CB 1.729 97 residues pruned to eliminate duplicates Z: 38 48.680 2.420 0.923 0.557 0.919 0.568 CB 1.770 38 residues pruned to eliminate duplicates Z: 94 80.254 2.449 0.909 0.566 0.935 0.656 CB 1.785 94 residues pruned to eliminate duplicates Z: 96 78.795 2.438 0.906 0.557 0.937 0.632 CB 1.757 96 residues pruned to eliminate duplicates Z: 41 40.410 2.342 0.733 0.501 0.900 0.625 CB 1.748 41 residues pruned to eliminate duplicates Z: 54 48.240 2.308 0.745 0.530 0.943 0.585 CB 1.693 54 residues pruned to eliminate duplicates Z: 74 61.193 2.340 0.898 0.537 0.945 0.658 CB 1.645 74 residues pruned to eliminate duplicates Z: 98 75.531 2.431 0.857 0.546 0.938 0.680 CB 1.731 98 residues pruned to eliminate duplicates Z: 31 48.082 2.436 0.983 0.602 0.933 0.600 CB 1.767 31 residues pruned to eliminate duplicates Z: 116 85.916 2.469 0.901 0.562 0.913 0.730 CB 1.760 116 residues pruned to eliminate duplicates Z: 27 37.539 2.347 1.040 0.602 0.846 0.769 CB 1.648 27 residues pruned to eliminate duplicates Z: 64 65.339 2.382 1.051 0.592 0.921 0.651 CB 1.676 64 residues pruned to eliminate duplicates Z: 121 86.830 2.439 0.895 0.555 0.942 0.717 CB 1.726 121 residues pruned to eliminate duplicates Z: 42 47.224 2.337 1.069 0.555 0.878 0.610 CB 1.646 42 residues pruned to eliminate duplicates Z: 138 88.111 2.422 0.921 0.551 0.905 0.650 CB 1.701 138 residues pruned to eliminate duplicates Z: 22 39.129 2.351 1.081 0.606 0.905 0.667 CB 1.743 22 residues pruned to eliminate duplicates Z: 22 39.085 2.408 0.998 0.631 0.905 0.571 CB 1.733 22 residues pruned to eliminate duplicates Z: 42 44.147 2.372 0.879 0.551 0.902 0.610 CB 1.631 42 residues pruned to eliminate duplicates Z: 27 32.374 2.311 0.833 0.595 0.885 0.615 CB 1.547 27 residues pruned to eliminate duplicates Z: 23 35.153 2.290 0.988 0.596 0.909 0.727 CB 1.652 23 residues pruned to eliminate duplicates Z: 22 37.934 2.301 0.999 0.609 0.905 0.524 CA 1.794 22 residues pruned to eliminate duplicates Z: 93 71.130 2.392 0.872 0.547 0.935 0.620 CB 1.691 93 residues pruned to eliminate duplicates Z: 21 44.829 2.420 1.171 0.649 0.900 0.700 CB 1.846 21 residues pruned to eliminate duplicates Z: 75 69.810 2.435 0.941 0.598 0.892 0.689 CB 1.753 75 residues pruned to eliminate duplicates Z: 96 73.146 2.401 0.893 0.550 0.937 0.653 CB 1.678 96 residues pruned to eliminate duplicates Z: 80 62.373 2.389 0.869 0.580 0.886 0.646 CB 1.643 80 residues pruned to eliminate duplicates Z: 22 38.002 2.329 1.023 0.620 0.905 0.571 CB 1.737 22 residues pruned to eliminate duplicates Z: 37 46.089 2.393 1.107 0.545 0.861 0.583 CB 1.694 37 residues pruned to eliminate duplicates Z: 30 31.758 2.215 0.903 0.512 0.897 0.586 CB 1.543 30 residues pruned to eliminate duplicates Z: 105 79.218 2.429 0.946 0.552 0.933 0.673 CB 1.675 105 residues pruned to eliminate duplicates Z: 27 34.846 2.380 0.892 0.527 0.923 0.654 CB 1.600 27 residues pruned to eliminate duplicates Z: 27 34.126 2.333 1.016 0.552 0.846 0.615 CB 1.599 27 residues pruned to eliminate duplicates Z: 22 22.570 2.387 0.760 0.425 0.810 0.571 CB 1.566 22 residues pruned to eliminate duplicates Z: 21 30.647 2.413 0.954 0.504 0.900 0.600 CB 1.609 21 residues pruned to eliminate duplicates Z: 139 88.494 2.421 0.913 0.541 0.920 0.638 CB 1.698 139 residues pruned to eliminate duplicates Z: 7 4.148 1.890 0.242 0.314 0.833 0.167 CB 1.064 7 residues pruned to eliminate duplicates Z: 42 50.945 2.396 1.170 0.558 0.878 0.585 CB 1.647 42 residues pruned to eliminate duplicates Z: 137 92.945 2.430 0.974 0.559 0.919 0.610 CB 1.707 135 residues pruned to eliminate duplicates Z: 6 2.370 1.642 0.495 0.195 0.600 0.400 CA 1.036 6 residues pruned to eliminate duplicates Z: 74 59.864 2.391 0.844 0.583 0.890 0.616 CB 1.648 74 residues pruned to eliminate duplicates Z: 74 63.086 2.370 1.070 0.560 0.877 0.589 CB 1.619 74 residues pruned to eliminate duplicates Z: 6 7.931 1.782 0.543 0.418 1.000 0.800 CA 1.406 6 residues pruned to eliminate duplicates 513 residues left after pruning, divided into chains as follows: A: 17 B: 154 C: 9 D: 166 E: 167 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 31.30 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.535, Connect. = 0.738 for dens.mod. cycle 1 = 0.302, Contrast = 0.611, Connect. = 0.768 for dens.mod. cycle 2 = 0.302, Contrast = 0.725, Connect. = 0.806 for dens.mod. cycle 3 = 0.302, Contrast = 0.732, Connect. = 0.810 for dens.mod. cycle 4 = 0.302, Contrast = 0.746, Connect. = 0.814 for dens.mod. cycle 5 = 0.302, Contrast = 0.752, Connect. = 0.816 for dens.mod. cycle 6 = 0.302, Contrast = 0.761, Connect. = 0.818 for dens.mod. cycle 7 = 0.302, Contrast = 0.766, Connect. = 0.820 for dens.mod. cycle 8 = 0.302, Contrast = 0.771, Connect. = 0.821 for dens.mod. cycle 9 = 0.302, Contrast = 0.775, Connect. = 0.822 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.29 - 2.60 - 2.26 - 2.05 - 1.90 - 1.79 - 1.70 - 1.62 - 1.55 - 1.47 0.693 0.729 0.775 0.777 0.767 0.750 0.724 0.676 0.624 0.588 0.865 0.885 0.916 0.917 0.906 0.885 0.844 0.781 0.725 0.678 N 12809 12792 13087 12892 13008 12386 12687 13686 12589 11404 Estimated mean FOM = 0.712 Pseudo-free CC = 72.44 % Best trace (cycle 1 with CC 39.43%) was saved as ./2oh1-1.5-parrot-noncs/2oh1-1.5-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.1 - Setup, data input and phasing 18.4 - FFTs and peak-searches 31.3 - Sphere of influence 1.4 - Rest of density modification 0.0 - Alpha-helix search 2825.3 - Tripeptide search 20448.3 - Chain tracing 0.0 - NCS analysis 93.9 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 05:37:53 Total time: 23420.17 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 392.71 Used memory is bytes: 29928096