null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:50:11 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-hancs/2oh1-1.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2oh1-1.5-parrot-hancs/2oh1-1.5-parrot-hancs.ins Phases from ./2oh1-1.5-parrot-hancs/2oh1-1.5-parrot-hancs.phi Native data from ./2oh1-1.5-parrot-hancs/2oh1-1.5-parrot-hancs.hkl Listing output to ./2oh1-1.5-parrot-hancs/2oh1-1.5-parrot-hancs.lst Phases output to ./2oh1-1.5-parrot-hancs/2oh1-1.5-parrot-hancs.phs Poly-Ala trace output to ./2oh1-1.5-parrot-hancs/2oh1-1.5-parrot-hancs.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-hancs/2oh1-1.5-parrot-hancs.phi 127340 Reflections read from file ./2oh1-1.5-parrot-hancs/2oh1-1.5-parrot-hancs.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 = 0.394, Connect. = 0.719 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.759 for dens.mod. cycle 2 = 0.300, Contrast = 0.695, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.733, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.749, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 0.759, Connect. = 0.816 for dens.mod. cycle 6 = 0.300, Contrast = 0.766, Connect. = 0.818 for dens.mod. cycle 7 = 0.300, Contrast = 0.771, Connect. = 0.820 for dens.mod. cycle 8 = 0.300, Contrast = 0.774, Connect. = 0.821 for dens.mod. cycle 9 = 0.300, Contrast = 0.778, Connect. = 0.821 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3824 peaks > 0.5 sigma used to seed fragment search Space for about 886 unique residues taking solvent into account 826 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 32 52.191 2.496 1.185 0.566 0.903 0.581 CB 1.785 B: 65 47.044 2.257 0.925 0.469 0.891 0.594 CB 1.568 32 residues pruned to eliminate duplicates C: 24 56.832 2.326 1.029 0.876 0.957 0.652 CA 1.908 D: 23 75.638 2.504 1.275 0.928 1.000 0.909 CB 1.982 E: 13 25.750 2.262 1.254 0.541 0.917 0.583 CB 1.528 13 residues pruned to eliminate duplicates F: 24 69.477 2.385 1.227 0.897 1.000 0.826 CA 1.953 24 residues pruned to eliminate duplicates G: 21 63.711 2.400 1.217 0.958 1.000 1.000 CB 1.836 21 residues pruned to eliminate duplicates H: 26 24.086 2.177 0.836 0.431 0.880 0.520 CB 1.471 26 residues pruned to eliminate duplicates I: 69 56.257 2.303 0.908 0.520 0.956 0.647 CB 1.593 65 residues pruned to eliminate duplicates J: 10 29.323 2.262 1.295 0.866 0.889 0.778 CB 1.550 K: 8 44.446 2.735 1.093 0.874 1.000 0.857 CA 2.135 L: 24 54.563 2.396 0.842 0.908 0.957 0.826 CB 1.914 24 residues pruned to eliminate duplicates M: 23 61.593 2.500 0.924 0.912 1.000 0.682 CB 1.934 23 residues pruned to eliminate duplicates N: 13 43.758 2.441 1.159 0.796 1.000 0.833 CA 1.850 13 residues pruned to eliminate duplicates O: 9 30.940 2.333 1.239 0.781 0.875 0.750 CA 1.869 9 residues pruned to eliminate duplicates P: 24 69.430 2.405 1.359 0.903 0.957 0.870 CB 1.901 24 residues pruned to eliminate duplicates Q: 23 63.153 2.439 1.105 0.911 0.955 0.773 CB 1.946 23 residues pruned to eliminate duplicates R: 9 38.060 2.427 1.251 0.849 1.000 0.875 CB 1.826 9 residues pruned to eliminate duplicates S: 10 41.886 2.506 1.327 0.825 1.000 0.667 CB 1.808 9 residues pruned to eliminate duplicates T: 10 42.075 2.525 1.290 0.831 1.000 0.778 CB 1.823 10 residues pruned to eliminate duplicates U: 9 40.953 2.550 1.459 0.832 1.000 0.875 CB 1.734 9 residues pruned to eliminate duplicates V: 23 65.966 2.489 1.170 0.911 0.955 0.909 CB 1.933 23 residues pruned to eliminate duplicates W: 46 53.052 2.428 1.120 0.503 0.911 0.533 CB 1.682 46 residues pruned to eliminate duplicates X: 10 28.075 2.331 0.691 0.849 1.000 0.889 CA 1.761 10 residues pruned to eliminate duplicates Y: 9 19.709 2.066 0.779 0.737 1.000 0.625 CB 1.533 Z: 23 73.947 2.443 1.259 0.904 1.000 0.727 CB 2.035 24 residues pruned to eliminate duplicates Z: 10 35.476 2.311 1.287 0.827 0.889 0.889 CA 1.897 10 residues pruned to eliminate duplicates Z: 12 21.308 1.969 0.891 0.844 0.909 0.727 C 1.412 Z: 13 37.732 2.355 1.093 0.765 1.000 0.833 CB 1.748 13 residues pruned to eliminate duplicates Z: 7 5.978 1.985 0.639 0.619 0.500 0.333 C 1.340 7 residues pruned to eliminate duplicates Z: 10 30.378 2.324 1.377 0.829 0.889 0.667 CB 1.552 10 residues pruned to eliminate duplicates Z: 22 79.847 2.471 1.637 0.928 0.952 0.762 CB 1.965 24 residues pruned to eliminate duplicates Z: 37 55.238 2.228 1.095 0.769 0.972 0.806 CB 1.599 Z: 10 14.188 1.857 0.693 0.699 0.889 0.556 CA 1.411 10 residues pruned to eliminate duplicates Z: 11 23.271 2.357 0.738 0.729 0.900 0.500 CB 1.625 Z: 38 35.945 2.456 0.766 0.458 0.865 0.676 CB 1.644 12 residues pruned to eliminate duplicates Z: 23 67.393 2.503 1.210 0.897 0.955 0.636 CB 1.947 22 residues pruned to eliminate duplicates Z: 23 70.020 2.477 1.230 0.925 1.000 0.727 CB 1.897 23 residues pruned to eliminate duplicates Z: 137 92.411 2.344 0.949 0.596 0.949 0.699 CB 1.668 70 residues pruned to eliminate duplicates Z: 75 77.241 2.366 1.167 0.616 0.932 0.676 CB 1.683 75 residues pruned to eliminate duplicates Z: 22 76.893 2.537 1.307 0.931 1.000 0.762 CB 2.003 23 residues pruned to eliminate duplicates Z: 22 58.566 2.477 0.964 0.916 0.952 0.905 CB 1.948 22 residues pruned to eliminate duplicates Z: 10 29.113 2.421 0.806 0.784 1.000 0.556 CB 1.729 10 residues pruned to eliminate duplicates Z: 18 29.501 2.367 0.350 0.904 1.000 0.882 CB 1.596 Z: 15 20.759 2.077 0.966 0.567 0.857 0.643 CB 1.485 Z: 10 32.071 2.406 1.395 0.800 0.889 0.889 CB 1.605 10 residues pruned to eliminate duplicates Z: 23 73.634 2.497 1.245 0.919 1.000 0.773 CB 1.974 23 residues pruned to eliminate duplicates Z: 23 63.358 2.438 1.057 0.937 1.000 0.909 CB 1.874 23 residues pruned to eliminate duplicates Z: 6 12.529 2.346 0.301 0.758 0.800 0.800 CA 1.824 Z: 26 25.976 2.262 1.051 0.419 0.840 0.560 CB 1.450 26 residues pruned to eliminate duplicates Z: 25 50.396 2.347 0.748 0.887 1.000 0.833 CB 1.809 25 residues pruned to eliminate duplicates Z: 10 35.106 2.313 1.464 0.890 1.000 1.000 CB 1.477 Z: 22 56.507 2.471 0.872 0.893 0.952 0.905 CB 2.010 22 residues pruned to eliminate duplicates Z: 9 45.347 2.611 1.569 0.815 1.000 0.750 CB 1.818 9 residues pruned to eliminate duplicates Z: 23 62.190 2.448 0.957 0.939 1.000 0.909 CB 1.924 22 residues pruned to eliminate duplicates Z: 10 30.981 2.171 1.083 0.864 1.000 0.889 CB 1.674 10 residues pruned to eliminate duplicates Z: 10 24.628 2.120 0.636 0.902 1.000 0.889 CB 1.688 10 residues pruned to eliminate duplicates Z: 10 24.068 2.343 0.541 0.868 0.889 0.889 CA 1.827 10 residues pruned to eliminate duplicates Z: 21 53.447 2.359 0.995 0.938 1.000 0.950 CB 1.766 21 residues pruned to eliminate duplicates Z: 10 36.647 2.228 1.322 0.826 1.000 0.778 CB 1.782 11 residues pruned to eliminate duplicates Z: 13 28.810 2.250 0.612 0.812 1.000 0.833 CA 1.747 11 residues pruned to eliminate duplicates Z: 14 16.583 2.220 0.759 0.440 0.846 0.538 CB 1.481 14 residues pruned to eliminate duplicates Z: 8 18.637 2.040 0.552 0.881 1.000 0.857 CA 1.611 8 residues pruned to eliminate duplicates Z: 23 61.831 2.469 1.083 0.898 1.000 0.818 CB 1.833 23 residues pruned to eliminate duplicates Z: 11 24.901 2.048 0.835 0.849 0.900 0.700 CA 1.725 11 residues pruned to eliminate duplicates Z: 41 36.131 2.197 0.910 0.485 0.900 0.600 CB 1.536 41 residues pruned to eliminate duplicates Z: 9 17.378 2.108 0.507 0.796 1.000 0.625 CB 1.492 Z: 9 16.659 1.938 0.622 0.795 0.875 0.625 C 1.653 9 residues pruned to eliminate duplicates Z: 19 28.836 2.275 0.496 0.865 0.944 0.889 CB 1.549 18 residues pruned to eliminate duplicates Z: 11 30.622 2.255 1.398 0.829 0.900 0.700 CB 1.497 10 residues pruned to eliminate duplicates Z: 48 58.974 2.309 0.965 0.724 0.936 0.809 CB 1.655 48 residues pruned to eliminate duplicates Z: 21 70.205 2.517 1.141 0.933 1.000 0.900 CB 2.033 21 residues pruned to eliminate duplicates Z: 9 19.576 2.050 0.981 0.811 1.000 0.625 CB 1.300 9 residues pruned to eliminate duplicates Z: 8 23.627 2.095 0.936 0.831 1.000 1.000 CA 1.654 8 residues pruned to eliminate duplicates Z: 22 62.543 2.365 1.163 0.922 1.000 0.810 CB 1.876 Z: 12 37.521 2.400 0.953 0.826 1.000 0.727 CB 1.821 12 residues pruned to eliminate duplicates Z: 18 33.614 2.370 0.589 0.883 1.000 0.882 CB 1.566 19 residues pruned to eliminate duplicates Z: 65 44.244 2.198 0.641 0.559 0.953 0.656 CB 1.519 16 residues pruned to eliminate duplicates Z: 21 56.177 2.488 1.032 0.864 0.900 0.750 CB 2.025 21 residues pruned to eliminate duplicates Z: 7 24.064 2.331 0.798 0.813 1.000 0.833 CA 1.785 7 residues pruned to eliminate duplicates Z: 22 62.318 2.449 0.942 0.929 1.000 0.905 CB 2.001 22 residues pruned to eliminate duplicates Z: 20 54.453 2.509 0.721 0.930 1.000 1.000 CB 2.024 20 residues pruned to eliminate duplicates Z: 23 67.828 2.427 1.340 0.907 0.955 0.773 CB 1.896 23 residues pruned to eliminate duplicates Z: 65 48.728 2.239 0.905 0.479 0.906 0.562 CB 1.610 74 residues pruned to eliminate duplicates Z: 22 77.814 2.608 1.263 0.923 1.000 0.952 CB 2.022 22 residues pruned to eliminate duplicates Z: 10 18.793 1.916 0.686 0.849 0.889 0.556 C 1.618 10 residues pruned to eliminate duplicates Z: 22 60.173 2.382 1.060 0.928 1.000 0.952 CB 1.874 22 residues pruned to eliminate duplicates Z: 24 42.077 2.196 0.722 0.902 0.957 0.913 CB 1.730 24 residues pruned to eliminate duplicates Z: 100 86.090 2.328 1.124 0.616 0.929 0.646 CB 1.688 32 residues pruned to eliminate duplicates Z: 10 21.500 2.096 0.990 0.861 1.000 0.889 CB 1.263 10 residues pruned to eliminate duplicates Z: 39 26.981 2.042 0.840 0.537 0.842 0.579 CB 1.334 5 residues pruned to eliminate duplicates Z: 10 26.191 2.307 0.490 0.815 1.000 0.778 CA 1.932 10 residues pruned to eliminate duplicates Z: 65 77.829 2.349 1.152 0.672 0.969 0.672 CB 1.695 44 residues pruned to eliminate duplicates Z: 10 20.083 2.068 0.844 0.753 1.000 0.556 CB 1.401 10 residues pruned to eliminate duplicates Z: 71 69.062 2.315 1.033 0.611 0.929 0.643 CB 1.701 72 residues pruned to eliminate duplicates Z: 23 53.318 2.297 0.902 0.927 1.000 0.864 CA 1.823 23 residues pruned to eliminate duplicates Z: 36 32.584 2.145 0.837 0.494 0.914 0.657 CB 1.537 38 residues pruned to eliminate duplicates Z: 20 41.586 2.168 0.964 0.887 0.947 0.789 CB 1.705 20 residues pruned to eliminate duplicates Z: 22 52.584 2.256 1.059 0.902 1.000 0.905 CB 1.761 22 residues pruned to eliminate duplicates Z: 18 33.020 2.281 0.613 0.892 0.941 0.941 CB 1.661 18 residues pruned to eliminate duplicates Z: 10 19.391 2.170 0.499 0.831 0.889 0.778 CB 1.680 10 residues pruned to eliminate duplicates Z: 12 28.803 2.323 0.578 0.749 1.000 0.727 CB 1.896 12 residues pruned to eliminate duplicates Z: 22 59.940 2.420 1.039 0.908 0.952 0.762 CB 1.976 22 residues pruned to eliminate duplicates Z: 9 19.309 2.024 0.797 0.792 1.000 0.875 CB 1.453 9 residues pruned to eliminate duplicates Z: 9 18.721 2.008 0.681 0.816 1.000 0.875 CB 1.489 9 residues pruned to eliminate duplicates Z: 32 42.957 2.358 0.894 0.543 0.903 0.806 CB 1.834 32 residues pruned to eliminate duplicates Z: 22 51.200 2.228 1.063 0.898 1.000 0.810 CB 1.739 22 residues pruned to eliminate duplicates Z: 10 21.479 1.935 0.954 0.782 1.000 0.667 CA 1.477 10 residues pruned to eliminate duplicates Z: 11 14.531 1.982 0.693 0.692 0.900 0.700 CB 1.276 11 residues pruned to eliminate duplicates Z: 12 24.974 2.121 0.561 0.835 1.000 0.909 C 1.703 12 residues pruned to eliminate duplicates Z: 12 39.255 2.524 1.161 0.757 0.909 0.727 CB 1.899 12 residues pruned to eliminate duplicates Z: 9 30.585 2.315 0.971 0.858 1.000 1.000 CB 1.745 9 residues pruned to eliminate duplicates Z: 81 51.610 2.269 0.842 0.503 0.913 0.675 CB 1.508 68 residues pruned to eliminate duplicates Z: 12 48.929 2.613 1.186 0.790 1.000 0.909 CA 2.002 12 residues pruned to eliminate duplicates Z: 26 15.155 1.972 0.641 0.397 0.840 0.520 CB 1.244 15 residues pruned to eliminate duplicates Z: 33 44.289 2.413 1.041 0.520 0.938 0.656 CB 1.663 32 residues pruned to eliminate duplicates Z: 10 30.881 2.343 1.414 0.868 0.889 0.778 CB 1.497 10 residues pruned to eliminate duplicates Z: 21 29.662 2.335 0.950 0.500 0.850 0.650 CB 1.715 21 residues pruned to eliminate duplicates Z: 23 75.248 2.394 1.441 0.922 1.000 0.818 CB 1.930 23 residues pruned to eliminate duplicates Z: 23 58.705 2.286 1.117 0.916 1.000 0.818 CB 1.826 23 residues pruned to eliminate duplicates Z: 10 24.370 2.143 0.868 0.811 0.889 0.778 CB 1.741 10 residues pruned to eliminate duplicates Z: 12 36.107 2.389 0.981 0.789 1.000 0.727 CB 1.785 12 residues pruned to eliminate duplicates Z: 10 21.713 2.088 0.945 0.849 1.000 0.778 CB 1.321 10 residues pruned to eliminate duplicates Z: 25 58.887 2.338 0.943 0.865 1.000 0.875 CB 1.939 25 residues pruned to eliminate duplicates Z: 11 11.687 1.916 0.687 0.554 0.800 0.600 CB 1.356 11 residues pruned to eliminate duplicates Z: 44 40.401 2.303 0.690 0.531 0.953 0.674 CB 1.609 46 residues pruned to eliminate duplicates Z: 70 61.311 2.392 0.903 0.500 0.942 0.580 CB 1.721 71 residues pruned to eliminate duplicates Z: 28 45.146 2.466 0.898 0.547 0.926 0.667 CB 1.915 28 residues pruned to eliminate duplicates Z: 10 20.622 2.221 0.616 0.825 0.778 0.667 CA 1.858 10 residues pruned to eliminate duplicates Z: 70 72.380 2.314 1.117 0.658 0.928 0.725 CB 1.655 70 residues pruned to eliminate duplicates Z: 7 7.486 1.785 0.345 0.604 0.833 0.667 CB 1.384 Z: 12 20.519 1.896 0.536 0.847 1.000 0.909 CA 1.577 12 residues pruned to eliminate duplicates Z: 21 85.314 2.598 1.517 0.924 1.000 0.850 CB 2.048 21 residues pruned to eliminate duplicates Z: 103 86.075 2.293 1.075 0.624 0.971 0.716 CB 1.642 107 residues pruned to eliminate duplicates Z: 23 75.306 2.497 1.353 0.913 1.000 0.818 CB 1.935 23 residues pruned to eliminate duplicates Z: 22 73.419 2.599 1.133 0.923 1.000 0.762 CB 2.031 22 residues pruned to eliminate duplicates Z: 10 20.561 2.038 1.048 0.473 1.000 0.778 CB 1.687 10 residues pruned to eliminate duplicates Z: 13 27.481 2.177 0.842 0.769 0.917 0.750 CB 1.700 13 residues pruned to eliminate duplicates Z: 16 20.047 2.194 0.853 0.551 0.800 0.600 CB 1.514 Z: 15 32.487 2.258 0.809 0.748 0.929 0.643 C 1.834 15 residues pruned to eliminate duplicates Z: 18 25.089 2.261 1.034 0.495 0.824 0.647 CB 1.615 25 residues pruned to eliminate duplicates Z: 18 31.883 2.381 0.537 0.888 0.941 0.882 CB 1.617 18 residues pruned to eliminate duplicates Z: 9 42.306 2.439 1.428 0.869 1.000 0.625 CB 1.846 9 residues pruned to eliminate duplicates Z: 14 24.857 2.120 0.996 0.698 1.000 0.692 CB 1.360 14 residues pruned to eliminate duplicates Z: 6 6.971 2.125 -0.133 0.836 0.800 0.600 CA 1.583 6 residues pruned to eliminate duplicates Z: 23 77.629 2.456 1.346 0.923 1.000 0.773 CA 2.018 23 residues pruned to eliminate duplicates Z: 12 32.491 2.118 1.000 0.915 1.000 1.000 CB 1.635 Z: 65 38.830 2.086 0.698 0.559 0.953 0.672 CB 1.358 34 residues pruned to eliminate duplicates Z: 12 23.121 2.035 0.697 0.875 0.909 0.818 CA 1.616 11 residues pruned to eliminate duplicates Z: 45 38.652 2.301 0.860 0.467 0.795 0.591 CB 1.769 45 residues pruned to eliminate duplicates Z: 22 49.159 2.178 1.028 0.885 1.000 0.952 CB 1.754 21 residues pruned to eliminate duplicates Z: 18 39.808 2.243 0.952 0.879 0.941 0.765 CB 1.699 18 residues pruned to eliminate duplicates Z: 39 29.788 2.087 0.808 0.502 0.921 0.605 CB 1.387 26 residues pruned to eliminate duplicates Z: 34 33.964 2.183 0.836 0.537 0.909 0.727 CB 1.565 34 residues pruned to eliminate duplicates Z: 14 28.930 2.223 0.829 0.847 0.923 0.692 CB 1.588 14 residues pruned to eliminate duplicates Z: 12 27.481 2.145 0.668 0.907 1.000 1.000 CA 1.646 12 residues pruned to eliminate duplicates Z: 13 29.395 2.049 0.826 0.906 1.000 1.000 CA 1.614 13 residues pruned to eliminate duplicates Z: 8 24.949 2.226 0.928 0.871 1.000 0.714 C 1.603 8 residues pruned to eliminate duplicates Z: 23 46.723 2.154 0.954 0.922 1.000 0.909 CB 1.665 23 residues pruned to eliminate duplicates Z: 60 54.029 2.386 0.832 0.527 0.915 0.678 CB 1.712 60 residues pruned to eliminate duplicates Z: 9 43.615 2.429 1.442 0.897 1.000 0.875 CB 1.861 9 residues pruned to eliminate duplicates Z: 9 31.316 2.497 0.818 0.814 1.000 0.625 CB 1.857 9 residues pruned to eliminate duplicates Z: 22 43.704 2.181 0.876 0.924 0.952 0.905 CB 1.719 23 residues pruned to eliminate duplicates Z: 40 27.416 1.999 0.921 0.531 0.821 0.641 CB 1.352 40 residues pruned to eliminate duplicates Z: 6 14.901 2.101 0.745 0.714 1.000 0.600 CA 1.497 6 residues pruned to eliminate duplicates Z: 7 27.549 2.481 0.805 0.845 1.000 0.667 CA 1.868 7 residues pruned to eliminate duplicates Z: 14 28.358 2.151 0.640 0.840 1.000 0.692 CA 1.663 14 residues pruned to eliminate duplicates Z: 9 22.693 2.331 0.489 0.906 1.000 1.000 CB 1.645 9 residues pruned to eliminate duplicates Z: 9 11.291 1.888 0.325 0.792 0.875 0.625 C 1.412 9 residues pruned to eliminate duplicates Z: 42 52.684 2.318 1.090 0.593 0.951 0.634 CB 1.634 33 residues pruned to eliminate duplicates Z: 38 38.965 2.299 0.803 0.540 0.946 0.757 CB 1.570 38 residues pruned to eliminate duplicates Z: 18 33.579 2.260 0.602 0.909 0.941 0.941 CB 1.696 18 residues pruned to eliminate duplicates Z: 23 46.397 2.255 0.765 0.919 1.000 0.864 CB 1.751 23 residues pruned to eliminate duplicates Z: 23 71.584 2.499 1.318 0.914 0.955 0.864 CB 1.952 23 residues pruned to eliminate duplicates Z: 20 50.014 2.484 0.704 0.941 1.000 0.947 CB 1.881 20 residues pruned to eliminate duplicates Z: 17 23.256 2.182 0.945 0.579 0.875 0.625 CB 1.452 16 residues pruned to eliminate duplicates Z: 9 17.155 1.950 0.622 0.856 0.875 0.875 CB 1.616 9 residues pruned to eliminate duplicates Z: 34 40.358 2.356 0.924 0.601 0.879 0.667 CB 1.601 34 residues pruned to eliminate duplicates Z: 130 73.958 2.269 0.781 0.571 0.938 0.674 CB 1.603 130 residues pruned to eliminate duplicates Z: 40 28.797 2.108 0.657 0.534 0.923 0.513 CB 1.384 38 residues pruned to eliminate duplicates Z: 23 54.384 2.269 1.075 0.929 0.955 0.682 CB 1.806 23 residues pruned to eliminate duplicates Z: 24 41.988 2.197 0.700 0.911 0.957 0.870 CB 1.736 24 residues pruned to eliminate duplicates Z: 103 89.140 2.420 1.033 0.610 0.912 0.755 CB 1.773 103 residues pruned to eliminate duplicates Z: 22 51.922 2.232 1.093 0.899 1.000 0.762 CB 1.734 22 residues pruned to eliminate duplicates Z: 11 34.087 2.341 0.956 0.797 1.000 0.500 CB 1.815 11 residues pruned to eliminate duplicates Z: 49 55.798 2.335 1.116 0.617 0.938 0.604 CB 1.556 46 residues pruned to eliminate duplicates Z: 19 29.013 1.946 0.737 0.900 1.000 0.833 CB 1.445 19 residues pruned to eliminate duplicates Z: 13 28.846 2.034 0.840 0.914 1.000 0.917 CA 1.573 13 residues pruned to eliminate duplicates Z: 23 54.626 2.249 1.018 0.923 1.000 0.909 CA 1.803 23 residues pruned to eliminate duplicates Z: 8 21.501 2.147 0.788 0.910 1.000 0.714 CB 1.502 8 residues pruned to eliminate duplicates Z: 9 17.412 2.043 0.687 0.828 1.000 0.750 CB 1.344 9 residues pruned to eliminate duplicates Z: 21 46.763 2.302 0.828 0.933 0.950 0.900 CB 1.825 21 residues pruned to eliminate duplicates Z: 12 30.331 2.143 0.808 0.913 1.000 1.000 CA 1.671 12 residues pruned to eliminate duplicates Z: 21 50.001 2.341 0.828 0.925 1.000 0.950 CB 1.834 21 residues pruned to eliminate duplicates Z: 11 26.707 2.178 1.162 0.888 0.900 0.800 CB 1.435 11 residues pruned to eliminate duplicates Z: 18 28.181 1.998 0.566 0.908 1.000 0.824 CB 1.551 18 residues pruned to eliminate duplicates Z: 22 48.675 2.227 0.953 0.905 1.000 0.762 CB 1.737 22 residues pruned to eliminate duplicates Z: 9 25.347 2.254 0.944 0.881 1.000 0.750 CB 1.481 9 residues pruned to eliminate duplicates Z: 13 32.977 2.273 0.761 0.801 1.000 0.750 CA 1.828 13 residues pruned to eliminate duplicates Z: 12 27.303 2.415 0.912 0.737 0.818 0.727 CB 1.761 12 residues pruned to eliminate duplicates Z: 41 44.683 2.335 0.969 0.504 0.900 0.650 CB 1.701 41 residues pruned to eliminate duplicates Z: 156 94.416 2.293 0.967 0.609 0.916 0.697 CB 1.655 156 residues pruned to eliminate duplicates Z: 9 14.216 2.035 0.645 0.512 0.875 0.750 CB 1.695 9 residues pruned to eliminate duplicates Z: 21 43.150 2.213 0.896 0.879 0.950 0.850 CB 1.755 21 residues pruned to eliminate duplicates Z: 13 36.643 2.016 1.284 0.906 1.000 0.750 CA 1.634 17 residues pruned to eliminate duplicates Z: 11 45.818 2.645 1.029 0.794 1.000 0.800 CB 2.086 11 residues pruned to eliminate duplicates Z: 18 26.686 2.011 0.558 0.907 1.000 0.824 CB 1.468 18 residues pruned to eliminate duplicates Z: 19 27.235 2.027 0.558 0.874 1.000 0.889 CB 1.479 19 residues pruned to eliminate duplicates Z: 33 57.200 2.215 1.169 0.766 0.938 0.844 CB 1.774 33 residues pruned to eliminate duplicates Z: 22 62.120 2.349 1.208 0.911 1.000 0.810 CB 1.852 22 residues pruned to eliminate duplicates Z: 61 50.085 2.255 0.875 0.606 0.917 0.650 CB 1.509 61 residues pruned to eliminate duplicates Z: 17 17.772 2.081 0.843 0.567 0.750 0.688 CB 1.447 17 residues pruned to eliminate duplicates Z: 18 24.817 1.984 0.528 0.936 1.000 1.000 CB 1.383 18 residues pruned to eliminate duplicates Z: 23 59.342 2.466 0.894 0.918 1.000 0.909 CB 1.911 23 residues pruned to eliminate duplicates Z: 24 41.035 2.174 0.732 0.900 0.957 0.913 CB 1.697 24 residues pruned to eliminate duplicates Z: 8 23.711 2.226 0.757 0.845 1.000 0.857 CB 1.704 8 residues pruned to eliminate duplicates Z: 25 27.390 2.074 0.842 0.637 0.875 0.792 CB 1.471 25 residues pruned to eliminate duplicates Z: 10 25.567 2.214 0.832 0.834 0.889 0.889 CB 1.771 10 residues pruned to eliminate duplicates Z: 11 10.775 1.893 0.672 0.407 0.800 0.500 CB 1.484 11 residues pruned to eliminate duplicates Z: 21 52.149 2.398 0.921 0.906 0.950 0.750 CB 1.896 21 residues pruned to eliminate duplicates Z: 22 62.100 2.351 1.170 0.908 1.000 0.857 CB 1.887 22 residues pruned to eliminate duplicates Z: 9 16.296 2.151 0.635 0.871 0.875 0.750 CB 1.366 9 residues pruned to eliminate duplicates Z: 16 18.876 1.888 0.322 0.906 1.000 0.800 CB 1.389 16 residues pruned to eliminate duplicates Z: 18 25.696 2.009 0.474 0.917 1.000 0.941 CB 1.485 18 residues pruned to eliminate duplicates Z: 22 88.081 2.627 1.491 0.927 1.000 0.810 CB 2.058 22 residues pruned to eliminate duplicates Z: 32 46.123 2.179 0.896 0.764 0.903 0.677 CB 1.756 32 residues pruned to eliminate duplicates Z: 8 24.738 2.204 0.861 0.783 1.000 0.714 C 1.776 8 residues pruned to eliminate duplicates Z: 6 9.517 2.129 0.644 0.645 0.800 0.600 CB 1.328 6 residues pruned to eliminate duplicates Z: 23 61.012 2.300 1.176 0.924 1.000 0.864 CA 1.825 23 residues pruned to eliminate duplicates Z: 20 38.826 2.238 0.606 0.923 1.000 0.947 CA 1.742 20 residues pruned to eliminate duplicates Z: 39 19.064 1.864 0.431 0.563 0.921 0.658 CB 1.184 39 residues pruned to eliminate duplicates Z: 24 44.099 2.183 0.838 0.911 0.957 0.913 CB 1.698 24 residues pruned to eliminate duplicates Z: 6 10.180 1.920 0.588 0.719 1.000 0.600 CA 1.225 6 residues pruned to eliminate duplicates Z: 43 53.243 2.425 1.138 0.533 0.929 0.619 CB 1.651 43 residues pruned to eliminate duplicates Z: 9 28.036 2.336 1.166 0.818 0.875 0.875 CB 1.699 9 residues pruned to eliminate duplicates Z: 22 65.170 2.349 1.253 0.927 1.000 0.857 CB 1.883 22 residues pruned to eliminate duplicates Z: 38 56.034 2.201 0.998 0.770 1.000 0.784 CB 1.650 38 residues pruned to eliminate duplicates Z: 16 20.983 2.194 0.894 0.562 0.800 0.667 CB 1.535 16 residues pruned to eliminate duplicates Z: 31 32.389 2.271 0.808 0.487 0.933 0.600 CB 1.563 31 residues pruned to eliminate duplicates Z: 24 54.586 2.196 1.260 0.898 0.957 0.826 CB 1.716 24 residues pruned to eliminate duplicates Z: 21 48.276 2.396 0.640 0.925 1.000 0.950 CB 1.928 21 residues pruned to eliminate duplicates Z: 21 55.638 2.243 1.246 0.914 1.000 0.950 CB 1.747 21 residues pruned to eliminate duplicates Z: 41 35.152 2.166 0.824 0.525 0.925 0.750 CB 1.483 41 residues pruned to eliminate duplicates Z: 8 13.981 1.715 0.908 0.645 1.000 0.571 CA 1.411 8 residues pruned to eliminate duplicates Z: 106 85.473 2.374 0.987 0.611 0.933 0.752 CB 1.706 106 residues pruned to eliminate duplicates Z: 20 61.310 2.316 1.496 0.930 0.947 0.789 CB 1.796 20 residues pruned to eliminate duplicates Z: 18 28.727 2.018 0.528 0.937 1.000 1.000 CB 1.572 18 residues pruned to eliminate duplicates Z: 12 24.058 2.141 1.061 0.528 1.000 0.818 CA 1.600 12 residues pruned to eliminate duplicates Z: 8 23.052 2.167 0.746 0.875 1.000 0.714 CB 1.675 8 residues pruned to eliminate duplicates Z: 18 33.002 2.029 0.789 0.923 1.000 0.882 CB 1.549 18 residues pruned to eliminate duplicates Z: 18 17.024 1.868 0.321 0.901 1.000 0.882 CB 1.194 18 residues pruned to eliminate duplicates Z: 26 30.818 2.212 1.027 0.595 0.840 0.600 CB 1.493 26 residues pruned to eliminate duplicates Z: 19 46.344 2.211 1.144 0.928 1.000 0.667 CB 1.613 19 residues pruned to eliminate duplicates Z: 9 22.011 2.251 0.247 0.883 1.000 0.875 CB 2.005 9 residues pruned to eliminate duplicates Z: 13 16.732 1.903 0.643 0.436 1.000 0.750 CB 1.651 13 residues pruned to eliminate duplicates Z: 22 27.731 2.207 0.895 0.485 0.905 0.524 CB 1.623 22 residues pruned to eliminate duplicates Z: 9 23.859 2.284 0.922 0.900 1.000 0.750 CB 1.373 9 residues pruned to eliminate duplicates Z: 20 22.238 2.185 0.971 0.513 0.842 0.632 CB 1.389 21 residues pruned to eliminate duplicates Z: 18 20.837 2.001 0.905 0.508 0.941 0.647 CB 1.396 18 residues pruned to eliminate duplicates Z: 18 19.220 1.914 0.256 0.927 1.000 0.941 CB 1.359 18 residues pruned to eliminate duplicates Z: 36 21.353 1.817 0.712 0.580 0.857 0.543 CB 1.254 39 residues pruned to eliminate duplicates Z: 9 28.300 2.142 1.157 0.856 1.000 0.750 CB 1.596 9 residues pruned to eliminate duplicates Z: 19 39.208 2.216 0.896 0.936 1.000 0.833 CB 1.532 19 residues pruned to eliminate duplicates Z: 18 27.646 2.005 0.588 0.906 0.941 0.824 CB 1.592 18 residues pruned to eliminate duplicates Z: 37 40.133 2.353 0.909 0.470 0.917 0.583 CB 1.674 37 residues pruned to eliminate duplicates Z: 98 67.199 2.350 0.899 0.545 0.907 0.691 CB 1.612 98 residues pruned to eliminate duplicates Z: 10 17.700 2.280 0.150 0.837 1.000 0.667 CA 1.684 10 residues pruned to eliminate duplicates Z: 11 21.789 2.010 1.077 0.679 1.000 0.800 CB 1.399 11 residues pruned to eliminate duplicates Z: 14 16.224 1.737 0.470 0.932 1.000 0.769 CB 1.230 14 residues pruned to eliminate duplicates Z: 64 50.157 2.208 0.735 0.596 0.968 0.746 CB 1.555 64 residues pruned to eliminate duplicates Z: 69 67.647 2.329 1.003 0.650 0.941 0.662 CB 1.624 69 residues pruned to eliminate duplicates Z: 44 47.019 2.322 0.832 0.541 0.977 0.651 CB 1.658 44 residues pruned to eliminate duplicates Z: 21 53.255 2.243 1.145 0.904 1.000 0.800 CB 1.763 21 residues pruned to eliminate duplicates Z: 87 63.523 2.361 0.708 0.561 0.919 0.651 CB 1.742 87 residues pruned to eliminate duplicates Z: 62 86.506 2.424 1.258 0.656 0.951 0.639 CB 1.842 62 residues pruned to eliminate duplicates Z: 9 21.879 2.039 0.896 0.850 1.000 1.000 CA 1.482 9 residues pruned to eliminate duplicates Z: 32 42.123 2.353 0.875 0.525 0.903 0.742 CB 1.852 32 residues pruned to eliminate duplicates Z: 9 26.600 2.178 1.149 0.838 1.000 0.625 CB 1.502 9 residues pruned to eliminate duplicates Z: 22 80.689 2.465 1.654 0.919 0.952 0.810 CB 1.991 22 residues pruned to eliminate duplicates Z: 28 27.625 2.026 0.815 0.618 0.926 0.815 CB 1.397 28 residues pruned to eliminate duplicates Z: 15 10.049 2.227 0.619 0.191 0.786 0.714 CB 1.371 15 residues pruned to eliminate duplicates Z: 17 20.650 1.940 0.439 0.937 1.000 1.000 CB 1.287 17 residues pruned to eliminate duplicates Z: 12 24.044 2.120 0.447 0.918 1.000 1.000 CA 1.666 12 residues pruned to eliminate duplicates Z: 17 17.775 1.855 0.416 0.896 1.000 0.938 CB 1.212 17 residues pruned to eliminate duplicates Z: 14 15.626 2.091 0.581 0.539 0.923 0.692 CB 1.367 14 residues pruned to eliminate duplicates Z: 47 45.464 2.315 0.914 0.496 0.957 0.609 CB 1.588 47 residues pruned to eliminate duplicates Z: 10 19.378 2.081 0.883 0.889 1.000 0.889 CB 1.187 10 residues pruned to eliminate duplicates Z: 60 47.379 2.278 0.875 0.526 0.898 0.627 CB 1.566 60 residues pruned to eliminate duplicates Z: 9 21.127 1.994 0.749 0.826 1.000 0.625 C 1.616 9 residues pruned to eliminate duplicates Z: 85 56.761 2.290 0.762 0.584 0.905 0.679 CB 1.566 85 residues pruned to eliminate duplicates Z: 17 11.454 1.781 0.552 0.498 0.875 0.562 CB 1.186 Z: 18 26.335 2.018 0.435 0.919 1.000 0.882 CB 1.555 18 residues pruned to eliminate duplicates Z: 20 21.017 1.980 0.690 0.627 0.895 0.632 CB 1.430 20 residues pruned to eliminate duplicates Z: 22 61.006 2.335 1.130 0.909 1.000 0.810 CA 1.899 22 residues pruned to eliminate duplicates Z: 20 63.586 2.595 1.062 0.934 0.947 0.947 CB 2.006 20 residues pruned to eliminate duplicates Z: 43 43.494 2.327 0.925 0.510 0.905 0.643 CB 1.640 43 residues pruned to eliminate duplicates Z: 8 17.349 2.139 0.804 0.770 1.000 0.571 CB 1.337 8 residues pruned to eliminate duplicates Z: 11 17.833 1.944 0.437 0.931 1.000 1.000 CB 1.410 11 residues pruned to eliminate duplicates Z: 14 17.800 1.719 0.502 0.909 1.000 0.846 CA 1.357 14 residues pruned to eliminate duplicates Z: 7 30.259 2.120 1.619 0.881 1.000 0.833 CB 1.611 7 residues pruned to eliminate duplicates Z: 46 45.812 2.406 0.986 0.479 0.889 0.622 CB 1.642 46 residues pruned to eliminate duplicates Z: 37 27.718 2.042 0.763 0.524 0.917 0.611 CB 1.367 37 residues pruned to eliminate duplicates Z: 7 24.212 2.131 1.118 0.836 1.000 1.000 CB 1.639 7 residues pruned to eliminate duplicates Z: 19 19.066 2.232 0.684 0.497 0.833 0.611 CB 1.440 19 residues pruned to eliminate duplicates Z: 10 6.310 1.736 0.560 0.460 0.667 0.556 CB 1.214 Z: 25 59.653 2.314 1.421 0.887 0.875 0.792 CB 1.790 25 residues pruned to eliminate duplicates Z: 13 23.807 2.032 0.714 0.854 1.000 0.833 CA 1.457 13 residues pruned to eliminate duplicates Z: 22 77.426 2.566 1.289 0.930 1.000 0.857 CB 2.012 22 residues pruned to eliminate duplicates Z: 11 15.983 1.939 0.291 0.928 1.000 0.900 CB 1.414 11 residues pruned to eliminate duplicates Z: 23 49.732 2.158 1.077 0.904 1.000 0.818 CB 1.685 23 residues pruned to eliminate duplicates Z: 105 85.313 2.406 1.007 0.594 0.904 0.663 CB 1.751 105 residues pruned to eliminate duplicates Z: 8 7.545 1.907 1.111 0.338 0.714 0.714 CB 1.183 8 residues pruned to eliminate duplicates Z: 61 49.678 2.224 1.036 0.529 0.917 0.600 CB 1.501 61 residues pruned to eliminate duplicates Z: 23 53.530 2.278 0.963 0.922 1.000 1.000 CA 1.795 23 residues pruned to eliminate duplicates Z: 11 20.958 2.048 1.016 0.888 0.900 0.700 CB 1.285 11 residues pruned to eliminate duplicates Z: 18 30.413 2.034 0.738 0.900 0.941 0.824 CB 1.583 18 residues pruned to eliminate duplicates Z: 33 22.745 1.930 0.582 0.605 0.938 0.719 CB 1.271 33 residues pruned to eliminate duplicates Z: 134 85.666 2.348 0.849 0.603 0.932 0.677 CB 1.663 134 residues pruned to eliminate duplicates Z: 8 12.231 1.909 0.409 0.839 1.000 0.571 CB 1.284 8 residues pruned to eliminate duplicates Z: 29 31.196 2.180 0.929 0.484 0.893 0.643 CB 1.595 29 residues pruned to eliminate duplicates Z: 9 19.856 2.255 0.555 0.831 0.875 0.750 CA 1.720 9 residues pruned to eliminate duplicates Z: 9 30.661 2.168 1.211 0.918 1.000 1.000 CB 1.594 9 residues pruned to eliminate duplicates Z: 18 15.364 1.819 0.262 0.906 1.000 0.941 CB 1.154 18 residues pruned to eliminate duplicates Z: 101 83.300 2.346 0.982 0.598 0.950 0.660 CB 1.717 101 residues pruned to eliminate duplicates Z: 40 39.573 2.205 0.933 0.531 0.923 0.718 CB 1.562 40 residues pruned to eliminate duplicates Z: 106 79.739 2.384 0.893 0.603 0.924 0.686 CB 1.692 106 residues pruned to eliminate duplicates Z: 11 18.262 1.890 0.554 0.904 1.000 0.800 CB 1.400 11 residues pruned to eliminate duplicates Z: 19 14.947 1.771 0.327 0.897 1.000 0.889 CB 1.074 19 residues pruned to eliminate duplicates Z: 13 21.834 1.817 0.719 0.921 1.000 0.917 CA 1.420 13 residues pruned to eliminate duplicates Z: 59 51.497 2.259 0.932 0.593 0.931 0.707 CB 1.522 59 residues pruned to eliminate duplicates Z: 18 19.830 1.957 0.187 0.916 1.000 0.941 CB 1.463 18 residues pruned to eliminate duplicates Z: 17 21.125 1.817 0.691 0.923 1.000 0.812 CB 1.208 17 residues pruned to eliminate duplicates Z: 38 41.545 2.380 0.976 0.440 0.892 0.676 CB 1.733 38 residues pruned to eliminate duplicates Z: 17 19.735 2.138 0.951 0.613 0.750 0.688 CB 1.417 17 residues pruned to eliminate duplicates Z: 23 55.196 2.455 0.863 0.920 0.955 0.864 CB 1.898 23 residues pruned to eliminate duplicates Z: 17 14.413 2.074 0.653 0.469 0.750 0.625 CB 1.446 17 residues pruned to eliminate duplicates Z: 17 16.726 1.855 0.318 0.933 1.000 1.000 CB 1.193 17 residues pruned to eliminate duplicates Z: 10 9.941 1.761 0.724 0.665 0.889 0.556 CB 1.055 10 residues pruned to eliminate duplicates Z: 81 79.377 2.397 1.058 0.631 0.938 0.700 CB 1.696 81 residues pruned to eliminate duplicates Z: 129 84.266 2.256 0.951 0.604 0.961 0.727 CB 1.595 128 residues pruned to eliminate duplicates Z: 7 7.961 1.682 0.873 0.594 0.833 0.667 C 1.132 7 residues pruned to eliminate duplicates Z: 38 41.568 2.331 0.800 0.533 0.892 0.703 CB 1.767 38 residues pruned to eliminate duplicates Z: 23 88.431 2.513 1.635 0.922 1.000 0.636 CB 2.003 23 residues pruned to eliminate duplicates Z: 17 14.966 1.878 0.156 0.896 1.000 0.938 CB 1.235 17 residues pruned to eliminate duplicates Z: 36 42.626 2.353 0.798 0.522 0.914 0.743 CB 1.822 36 residues pruned to eliminate duplicates Z: 24 48.189 2.418 1.275 0.590 0.913 0.696 CB 1.835 24 residues pruned to eliminate duplicates Z: 6 10.116 2.062 0.860 0.476 1.000 0.800 CB 1.209 6 residues pruned to eliminate duplicates Z: 10 27.024 2.294 0.647 0.902 1.000 0.889 CB 1.701 10 residues pruned to eliminate duplicates Z: 10 21.054 2.218 0.321 0.865 1.000 0.889 CA 1.755 10 residues pruned to eliminate duplicates Z: 17 22.856 1.950 0.551 0.917 1.000 0.875 CB 1.334 17 residues pruned to eliminate duplicates Z: 65 40.102 2.103 0.677 0.562 0.953 0.703 CB 1.404 65 residues pruned to eliminate duplicates Z: 11 16.010 1.898 0.445 0.915 1.000 0.900 CB 1.305 11 residues pruned to eliminate duplicates Z: 71 60.925 2.319 0.933 0.607 0.914 0.614 CB 1.605 71 residues pruned to eliminate duplicates Z: 11 15.323 1.863 0.636 0.912 1.000 0.800 CB 1.126 11 residues pruned to eliminate duplicates Z: 9 18.509 2.388 0.508 0.756 0.875 0.625 CB 1.653 9 residues pruned to eliminate duplicates Z: 7 3.622 1.699 0.868 0.239 0.833 0.667 CB 0.756 7 residues pruned to eliminate duplicates Z: 57 52.775 2.296 0.912 0.543 0.929 0.661 CB 1.659 57 residues pruned to eliminate duplicates Z: 9 10.573 1.805 0.652 0.526 1.000 0.750 CB 1.222 9 residues pruned to eliminate duplicates Z: 32 25.398 1.890 0.993 0.552 0.903 0.677 CB 1.274 32 residues pruned to eliminate duplicates Z: 9 19.523 2.123 0.581 0.837 1.000 0.750 CB 1.539 9 residues pruned to eliminate duplicates Z: 11 17.572 1.953 0.423 0.932 1.000 0.900 CB 1.396 11 residues pruned to eliminate duplicates Z: 74 66.381 2.267 1.042 0.625 0.945 0.630 CB 1.578 74 residues pruned to eliminate duplicates Z: 13 23.047 2.222 0.632 0.807 0.917 0.833 CB 1.532 13 residues pruned to eliminate duplicates Z: 100 79.329 2.320 0.969 0.588 0.949 0.667 CB 1.689 100 residues pruned to eliminate duplicates Z: 19 28.955 2.239 1.131 0.546 0.889 0.667 CB 1.539 19 residues pruned to eliminate duplicates Z: 13 25.444 2.003 0.717 0.911 1.000 0.917 CA 1.514 13 residues pruned to eliminate duplicates Z: 18 16.972 1.825 0.448 0.911 1.000 0.882 CB 1.104 18 residues pruned to eliminate duplicates Z: 10 14.931 2.057 0.698 0.554 0.889 0.667 CB 1.520 10 residues pruned to eliminate duplicates Z: 11 23.630 2.507 0.838 0.781 0.700 0.700 CB 1.808 11 residues pruned to eliminate duplicates Z: 18 32.039 2.029 0.764 0.901 1.000 0.882 CB 1.550 18 residues pruned to eliminate duplicates Z: 13 17.160 1.782 0.404 0.931 1.000 0.833 CA 1.383 13 residues pruned to eliminate duplicates Z: 101 79.764 2.331 1.011 0.606 0.900 0.620 CB 1.711 100 residues pruned to eliminate duplicates Z: 24 26.093 2.111 0.715 0.612 0.957 0.739 CB 1.413 24 residues pruned to eliminate duplicates Z: 13 25.720 2.256 1.278 0.495 0.917 0.750 CB 1.584 13 residues pruned to eliminate duplicates Z: 34 39.841 2.171 0.934 0.567 0.970 0.818 CB 1.596 34 residues pruned to eliminate duplicates Z: 21 20.630 1.856 0.578 0.696 0.900 0.800 CA 1.464 21 residues pruned to eliminate duplicates Z: 9 15.255 2.107 0.688 0.521 1.000 0.500 CA 1.486 9 residues pruned to eliminate duplicates Z: 10 25.229 2.190 0.581 0.914 1.000 0.889 CB 1.718 10 residues pruned to eliminate duplicates Z: 12 11.489 1.919 0.705 0.481 0.818 0.545 CB 1.320 12 residues pruned to eliminate duplicates Z: 17 14.549 1.755 0.763 0.499 0.938 0.562 CB 1.255 17 residues pruned to eliminate duplicates Z: 18 24.669 2.128 0.751 0.567 1.000 0.882 CB 1.504 18 residues pruned to eliminate duplicates Z: 34 46.993 2.442 0.900 0.548 0.970 0.667 CB 1.734 34 residues pruned to eliminate duplicates Z: 13 24.007 1.999 0.568 0.920 1.000 0.917 CA 1.557 13 residues pruned to eliminate duplicates Z: 6 6.353 1.626 0.760 0.452 0.800 0.400 C 1.303 Z: 7 17.961 2.203 0.887 0.859 0.833 0.667 CA 1.557 7 residues pruned to eliminate duplicates Z: 23 60.278 2.386 0.957 0.885 1.000 0.682 CB 1.987 23 residues pruned to eliminate duplicates Z: 22 36.569 1.989 0.741 0.917 1.000 0.905 CB 1.627 22 residues pruned to eliminate duplicates Z: 42 35.287 2.177 0.940 0.580 0.829 0.537 CB 1.456 39 residues pruned to eliminate duplicates Z: 18 40.372 2.019 1.178 0.933 1.000 0.882 CB 1.554 18 residues pruned to eliminate duplicates Z: 135 75.783 2.258 0.852 0.594 0.910 0.619 CB 1.572 135 residues pruned to eliminate duplicates Z: 22 58.070 2.242 1.296 0.921 1.000 0.762 CB 1.732 22 residues pruned to eliminate duplicates Z: 14 10.768 1.737 0.650 0.582 0.923 0.692 CB 1.043 12 residues pruned to eliminate duplicates Z: 24 22.975 2.135 0.662 0.481 1.000 0.522 CB 1.377 24 residues pruned to eliminate duplicates Z: 119 66.279 2.231 0.772 0.547 0.924 0.669 CB 1.597 119 residues pruned to eliminate duplicates Z: 13 18.376 1.804 0.505 0.902 1.000 0.917 CA 1.395 13 residues pruned to eliminate duplicates Z: 18 16.248 1.826 0.438 0.855 1.000 0.882 CB 1.107 18 residues pruned to eliminate duplicates Z: 12 12.805 1.815 0.826 0.436 0.909 0.636 CB 1.369 12 residues pruned to eliminate duplicates Z: 6 4.834 1.665 0.733 0.332 0.800 0.400 CA 1.125 6 residues pruned to eliminate duplicates Z: 10 14.923 1.973 0.559 0.485 1.000 0.667 CB 1.641 10 residues pruned to eliminate duplicates Z: 65 43.393 2.190 0.693 0.529 0.938 0.609 CB 1.517 65 residues pruned to eliminate duplicates Z: 15 17.724 1.665 0.614 0.925 1.000 0.857 CA 1.237 15 residues pruned to eliminate duplicates Z: 15 14.058 1.910 0.766 0.544 0.857 0.500 CB 1.245 15 residues pruned to eliminate duplicates Z: 25 30.630 2.086 0.927 0.561 0.917 0.750 CB 1.600 25 residues pruned to eliminate duplicates Z: 11 16.925 2.153 0.613 0.787 0.900 0.800 CB 1.331 11 residues pruned to eliminate duplicates Z: 8 13.327 1.944 0.537 0.728 1.000 0.857 CB 1.373 9 residues pruned to eliminate duplicates Z: 23 64.969 2.399 1.203 0.914 0.955 0.864 CB 1.943 23 residues pruned to eliminate duplicates Z: 22 54.640 2.247 1.135 0.915 1.000 0.905 CB 1.756 22 residues pruned to eliminate duplicates Z: 15 14.183 1.860 0.103 0.939 1.000 0.929 CB 1.284 15 residues pruned to eliminate duplicates Z: 24 49.701 2.095 1.348 0.895 0.957 0.609 CB 1.579 23 residues pruned to eliminate duplicates Z: 10 23.724 2.144 0.665 0.825 1.000 0.889 CB 1.672 10 residues pruned to eliminate duplicates Z: 22 57.352 2.236 1.263 0.922 1.000 0.810 CB 1.739 22 residues pruned to eliminate duplicates Z: 98 56.082 2.259 0.782 0.525 0.897 0.608 CB 1.539 98 residues pruned to eliminate duplicates Z: 125 86.343 2.329 1.003 0.585 0.919 0.669 CB 1.666 225 residues pruned to eliminate duplicates Z: 17 19.329 1.879 0.517 0.685 1.000 0.688 CB 1.431 17 residues pruned to eliminate duplicates Z: 7 15.784 2.075 0.484 0.870 1.000 0.667 CB 1.527 7 residues pruned to eliminate duplicates Z: 13 18.860 1.804 0.531 0.908 1.000 1.000 CA 1.400 13 residues pruned to eliminate duplicates Z: 33 23.113 2.177 0.596 0.367 0.812 0.375 CB 1.669 33 residues pruned to eliminate duplicates Z: 35 34.379 2.144 0.859 0.545 0.912 0.765 CB 1.553 Z: 20 18.246 2.028 1.040 0.574 0.842 0.579 CB 1.119 19 residues pruned to eliminate duplicates Z: 23 59.950 2.273 1.202 0.906 1.000 0.773 CB 1.817 23 residues pruned to eliminate duplicates Z: 7 11.222 2.014 0.352 0.840 1.000 0.833 CA 1.256 7 residues pruned to eliminate duplicates Z: 18 34.147 2.026 0.882 0.932 1.000 0.824 CB 1.516 18 residues pruned to eliminate duplicates Z: 44 62.983 2.359 1.010 0.694 0.930 0.767 CB 1.824 44 residues pruned to eliminate duplicates Z: 31 17.209 1.791 0.408 0.508 0.900 0.633 CB 1.374 31 residues pruned to eliminate duplicates Z: 10 23.806 2.165 0.614 0.887 1.000 1.000 CB 1.637 Z: 13 17.301 1.748 0.509 0.893 1.000 0.917 CA 1.359 13 residues pruned to eliminate duplicates Z: 42 35.638 2.260 0.938 0.433 0.829 0.561 CB 1.642 42 residues pruned to eliminate duplicates Z: 62 78.758 2.431 1.079 0.630 0.951 0.656 CB 1.857 62 residues pruned to eliminate duplicates Z: 14 25.148 2.143 0.975 0.530 0.923 0.692 CB 1.734 14 residues pruned to eliminate duplicates Z: 119 69.354 2.261 0.897 0.541 0.924 0.678 CB 1.548 119 residues pruned to eliminate duplicates Z: 18 18.154 1.776 0.375 0.930 1.000 0.941 CB 1.261 Z: 11 18.507 1.922 0.661 0.923 1.000 0.800 CB 1.288 11 residues pruned to eliminate duplicates Z: 37 32.142 2.195 0.729 0.515 0.917 0.667 CB 1.518 31 residues pruned to eliminate duplicates Z: 23 64.464 2.286 1.349 0.928 1.000 0.864 CB 1.792 23 residues pruned to eliminate duplicates Z: 12 21.112 1.866 0.721 0.931 1.000 0.909 CB 1.386 12 residues pruned to eliminate duplicates Z: 6 3.727 1.339 0.365 0.823 1.000 0.800 N 0.689 6 residues pruned to eliminate duplicates Z: 6 4.677 1.464 0.492 0.299 1.000 0.600 CB 1.198 4 residues pruned to eliminate duplicates Z: 68 38.760 2.153 0.660 0.488 0.925 0.612 CB 1.448 68 residues pruned to eliminate duplicates Z: 11 15.087 2.114 0.514 0.392 1.000 0.500 CB 1.670 11 residues pruned to eliminate duplicates Z: 35 32.253 2.221 0.852 0.478 0.912 0.676 CB 1.507 25 residues pruned to eliminate duplicates Z: 6 8.627 2.108 0.215 0.716 0.800 0.600 CA 1.548 6 residues pruned to eliminate duplicates Z: 11 20.370 1.950 0.625 0.933 1.000 1.000 CB 1.419 11 residues pruned to eliminate duplicates Z: 95 74.994 2.332 0.988 0.582 0.915 0.681 CB 1.685 95 residues pruned to eliminate duplicates Z: 17 21.968 2.137 1.161 0.567 0.875 0.625 CB 1.274 16 residues pruned to eliminate duplicates Z: 41 43.789 2.330 0.735 0.510 0.950 0.600 CB 1.785 41 residues pruned to eliminate duplicates Z: 15 12.897 1.749 0.128 0.852 1.000 0.857 CB 1.292 15 residues pruned to eliminate duplicates Z: 6 3.491 1.268 0.663 0.577 0.800 0.400 N 0.859 Z: 71 49.848 2.282 0.693 0.540 0.900 0.671 CB 1.648 71 residues pruned to eliminate duplicates Z: 11 13.454 2.014 0.713 0.658 0.900 0.600 CB 1.183 14 residues pruned to eliminate duplicates Z: 89 61.872 2.332 0.827 0.521 0.955 0.636 CB 1.589 89 residues pruned to eliminate duplicates Z: 37 46.539 2.377 0.946 0.502 0.972 0.611 CB 1.722 37 residues pruned to eliminate duplicates Z: 102 76.405 2.345 0.939 0.606 0.921 0.644 CB 1.642 102 residues pruned to eliminate duplicates Z: 16 15.434 1.854 0.347 0.881 1.000 0.867 CB 1.155 16 residues pruned to eliminate duplicates Z: 12 30.414 2.365 0.698 0.743 1.000 0.818 CB 1.838 15 residues pruned to eliminate duplicates Z: 22 71.040 2.535 1.186 0.905 1.000 0.857 CB 1.990 22 residues pruned to eliminate duplicates Z: 22 44.982 2.340 0.624 0.946 1.000 0.952 CB 1.786 22 residues pruned to eliminate duplicates Z: 40 33.715 2.143 0.625 0.556 0.949 0.692 CB 1.548 40 residues pruned to eliminate duplicates Z: 60 56.372 2.401 0.847 0.525 0.915 0.712 CB 1.764 60 residues pruned to eliminate duplicates Z: 10 20.664 2.407 0.996 0.485 0.889 0.667 CB 1.638 10 residues pruned to eliminate duplicates Z: 13 19.495 1.799 0.616 0.904 1.000 0.917 CB 1.379 13 residues pruned to eliminate duplicates Z: 9 10.295 1.750 0.635 0.511 1.000 0.750 CB 1.258 8 residues pruned to eliminate duplicates Z: 44 59.720 2.355 1.025 0.678 0.907 0.721 CB 1.786 44 residues pruned to eliminate duplicates Z: 43 44.547 2.330 0.822 0.508 0.952 0.595 CB 1.686 43 residues pruned to eliminate duplicates Z: 18 35.487 2.015 1.081 0.930 0.941 0.765 CB 1.526 18 residues pruned to eliminate duplicates Z: 130 76.733 2.263 0.865 0.600 0.922 0.659 CB 1.577 130 residues pruned to eliminate duplicates Z: 29 23.141 1.875 0.770 0.692 1.000 0.679 CB 1.105 28 residues pruned to eliminate duplicates Z: 100 78.503 2.319 0.979 0.585 0.929 0.677 CB 1.705 158 residues pruned to eliminate duplicates Z: 13 18.229 1.800 0.443 0.931 1.000 1.000 CB 1.416 13 residues pruned to eliminate duplicates Z: 20 33.743 2.333 0.843 0.551 1.000 0.684 CB 1.713 20 residues pruned to eliminate duplicates Z: 17 18.038 1.947 0.369 0.908 0.938 0.812 CB 1.282 17 residues pruned to eliminate duplicates Z: 15 31.612 2.300 1.117 0.645 1.000 0.714 CB 1.516 17 residues pruned to eliminate duplicates Z: 22 57.610 2.225 1.344 0.912 1.000 0.762 CB 1.707 23 residues pruned to eliminate duplicates Z: 39 46.279 2.400 0.870 0.555 0.974 0.763 CB 1.628 39 residues pruned to eliminate duplicates Z: 45 49.956 2.427 1.058 0.510 0.909 0.591 CB 1.643 45 residues pruned to eliminate duplicates Z: 11 18.083 1.950 0.469 0.934 1.000 1.000 CB 1.392 11 residues pruned to eliminate duplicates Z: 20 29.577 2.136 0.759 0.625 1.000 0.579 CB 1.605 20 residues pruned to eliminate duplicates Z: 15 13.557 1.891 0.750 0.614 0.857 0.786 CB 1.147 15 residues pruned to eliminate duplicates Z: 10 14.893 1.904 0.344 0.934 1.000 1.000 CB 1.353 10 residues pruned to eliminate duplicates Z: 19 29.704 2.164 0.534 0.913 1.000 0.889 CB 1.493 19 residues pruned to eliminate duplicates Z: 11 11.664 1.914 0.585 0.554 0.800 0.800 CA 1.442 11 residues pruned to eliminate duplicates Z: 19 26.144 2.205 0.865 0.473 0.944 0.556 CB 1.631 19 residues pruned to eliminate duplicates Z: 6 14.613 1.815 1.310 0.757 1.000 0.800 CB 1.240 6 residues pruned to eliminate duplicates Z: 14 12.269 1.936 0.643 0.441 0.846 0.769 CB 1.344 14 residues pruned to eliminate duplicates Z: 11 39.938 2.611 0.958 0.760 1.000 0.700 CB 1.960 11 residues pruned to eliminate duplicates Z: 32 36.724 2.103 0.916 0.642 0.935 0.677 CB 1.533 32 residues pruned to eliminate duplicates Z: 23 49.590 2.161 1.072 0.904 1.000 0.864 CB 1.682 23 residues pruned to eliminate duplicates Z: 19 41.592 2.202 1.263 0.901 0.889 0.667 CB 1.580 19 residues pruned to eliminate duplicates Z: 25 26.978 2.054 0.788 0.639 0.917 0.750 CB 1.436 25 residues pruned to eliminate duplicates Z: 94 88.287 2.379 1.122 0.612 0.935 0.677 CB 1.743 94 residues pruned to eliminate duplicates Z: 11 14.975 2.077 0.559 0.599 0.900 0.900 CB 1.478 11 residues pruned to eliminate duplicates Z: 25 47.392 2.286 0.928 0.872 0.917 0.792 CB 1.745 25 residues pruned to eliminate duplicates Z: 6 9.488 1.919 0.655 0.478 1.000 0.800 CB 1.367 6 residues pruned to eliminate duplicates Z: 35 43.156 2.294 0.916 0.567 0.941 0.706 CB 1.676 35 residues pruned to eliminate duplicates Z: 6 10.993 2.140 0.446 0.840 0.800 0.600 CA 1.481 Z: 78 54.231 2.254 0.906 0.521 0.909 0.688 CB 1.550 78 residues pruned to eliminate duplicates Z: 9 39.968 2.470 1.254 0.912 1.000 1.000 CB 1.797 Z: 22 19.716 2.236 0.774 0.372 0.857 0.524 CB 1.450 22 residues pruned to eliminate duplicates Z: 130 76.690 2.284 0.899 0.575 0.899 0.636 CB 1.611 130 residues pruned to eliminate duplicates Z: 27 29.687 2.071 0.999 0.588 0.885 0.500 CB 1.462 27 residues pruned to eliminate duplicates Z: 13 11.959 1.747 0.586 0.404 0.917 0.583 CA 1.504 13 residues pruned to eliminate duplicates Z: 7 4.543 1.795 0.205 0.500 0.833 0.500 CB 1.029 7 residues pruned to eliminate duplicates Z: 22 52.437 2.236 1.173 0.911 1.000 0.714 CB 1.668 22 residues pruned to eliminate duplicates Z: 17 17.654 1.939 0.310 0.922 1.000 0.938 CB 1.221 17 residues pruned to eliminate duplicates Z: 54 51.643 2.306 0.906 0.608 0.925 0.755 CB 1.577 54 residues pruned to eliminate duplicates Z: 87 56.357 2.272 0.760 0.557 0.930 0.628 CB 1.546 87 residues pruned to eliminate duplicates Z: 35 18.895 1.853 0.668 0.510 0.824 0.676 CB 1.260 35 residues pruned to eliminate duplicates Z: 38 32.263 2.107 0.667 0.537 0.919 0.676 CB 1.584 38 residues pruned to eliminate duplicates Z: 22 29.295 2.393 0.928 0.452 0.857 0.571 CB 1.699 Z: 44 40.889 2.317 0.793 0.500 0.907 0.651 CB 1.655 44 residues pruned to eliminate duplicates Z: 29 25.027 1.987 0.879 0.554 0.929 0.607 CB 1.295 29 residues pruned to eliminate duplicates Z: 18 37.923 2.073 1.037 0.902 1.000 0.941 CB 1.553 18 residues pruned to eliminate duplicates Z: 20 16.909 1.743 0.459 0.872 0.947 0.632 CB 1.174 20 residues pruned to eliminate duplicates Z: 9 8.616 1.799 0.611 0.528 0.875 0.750 CB 1.169 Z: 7 9.246 2.039 0.230 0.868 0.833 0.667 CB 1.320 7 residues pruned to eliminate duplicates Z: 32 18.494 1.958 0.667 0.383 0.871 0.548 CB 1.324 32 residues pruned to eliminate duplicates Z: 32 53.149 2.231 1.121 0.755 0.903 0.710 CB 1.780 32 residues pruned to eliminate duplicates Z: 9 12.260 1.845 0.590 0.733 0.875 0.625 CB 1.371 Z: 104 89.770 2.429 1.085 0.596 0.932 0.689 CB 1.709 104 residues pruned to eliminate duplicates Z: 11 8.430 1.870 0.423 0.255 1.000 0.600 CB 1.327 11 residues pruned to eliminate duplicates Z: 22 21.056 2.007 0.556 0.589 1.000 0.714 CB 1.352 15 residues pruned to eliminate duplicates Z: 33 41.725 2.295 0.789 0.542 0.906 0.562 CB 1.903 33 residues pruned to eliminate duplicates Z: 16 12.618 1.812 0.538 0.550 0.933 0.733 CB 1.193 16 residues pruned to eliminate duplicates Z: 9 4.744 1.449 0.631 0.417 0.750 0.500 CB 1.032 Z: 38 33.098 2.152 0.821 0.491 0.919 0.649 CB 1.525 34 residues pruned to eliminate duplicates Z: 27 23.123 1.966 0.796 0.519 0.923 0.615 CB 1.364 27 residues pruned to eliminate duplicates Z: 75 73.606 2.295 1.134 0.622 0.959 0.676 CB 1.623 75 residues pruned to eliminate duplicates Z: 18 16.833 1.867 0.373 0.903 1.000 0.882 CB 1.135 18 residues pruned to eliminate duplicates Z: 44 65.026 2.447 1.095 0.686 0.884 0.721 CB 1.846 44 residues pruned to eliminate duplicates Z: 110 87.773 2.343 1.065 0.597 0.954 0.688 CB 1.660 110 residues pruned to eliminate duplicates Z: 8 4.806 1.477 0.531 0.365 0.857 0.429 CB 1.084 8 residues pruned to eliminate duplicates Z: 6 5.125 1.378 0.266 0.825 1.000 0.400 N 0.991 Z: 11 15.925 1.875 0.339 0.913 1.000 0.900 CB 1.419 11 residues pruned to eliminate duplicates Z: 7 4.983 1.560 0.791 0.229 0.833 0.333 CA 1.199 Z: 31 44.214 2.159 0.999 0.778 0.933 0.700 CB 1.568 31 residues pruned to eliminate duplicates Z: 18 25.804 2.031 0.428 0.917 1.000 0.941 CB 1.522 18 residues pruned to eliminate duplicates Z: 20 25.300 2.340 0.873 0.529 0.842 0.684 CB 1.529 20 residues pruned to eliminate duplicates Z: 69 53.911 2.227 0.927 0.560 0.956 0.662 CB 1.503 69 residues pruned to eliminate duplicates Z: 12 13.781 2.343 0.729 0.221 0.818 0.455 CA 1.740 12 residues pruned to eliminate duplicates Z: 6 4.221 1.485 0.320 0.619 1.000 0.400 CB 0.861 Z: 20 64.382 2.499 1.090 0.939 1.000 0.895 CB 1.966 20 residues pruned to eliminate duplicates Z: 8 7.798 1.784 0.194 0.545 0.857 0.429 CB 1.543 8 residues pruned to eliminate duplicates Z: 6 4.139 1.559 1.417 0.439 0.600 0.400 CB 0.873 6 residues pruned to eliminate duplicates Z: 23 33.487 2.323 0.777 0.534 0.909 0.727 CB 1.840 23 residues pruned to eliminate duplicates Z: 18 23.786 2.155 0.621 0.566 0.941 0.588 CA 1.646 18 residues pruned to eliminate duplicates Z: 19 40.034 2.197 1.141 0.869 1.000 0.556 CB 1.465 19 residues pruned to eliminate duplicates Z: 29 51.330 2.426 1.158 0.567 0.964 0.679 CB 1.801 29 residues pruned to eliminate duplicates Z: 39 59.652 2.311 1.102 0.736 0.974 0.737 CB 1.654 39 residues pruned to eliminate duplicates Z: 10 36.065 2.309 1.404 0.907 1.000 1.000 CB 1.539 10 residues pruned to eliminate duplicates Z: 74 69.047 2.293 1.072 0.644 0.918 0.699 CB 1.620 74 residues pruned to eliminate duplicates Z: 20 20.452 2.153 0.722 0.386 0.895 0.579 CB 1.597 20 residues pruned to eliminate duplicates Z: 8 6.318 1.723 0.223 0.540 1.000 0.571 CB 1.090 24 residues pruned to eliminate duplicates Z: 107 67.193 2.241 0.887 0.567 0.906 0.632 CB 1.596 107 residues pruned to eliminate duplicates Z: 102 80.179 2.367 0.998 0.597 0.911 0.673 CB 1.688 102 residues pruned to eliminate duplicates Z: 7 29.113 2.462 0.983 0.773 1.000 0.667 CA 1.912 7 residues pruned to eliminate duplicates Z: 34 32.657 2.029 1.029 0.616 0.879 0.606 CB 1.407 34 residues pruned to eliminate duplicates Z: 11 13.758 2.149 0.512 0.421 0.900 0.600 CB 1.615 11 residues pruned to eliminate duplicates Z: 30 55.300 2.337 1.247 0.717 1.000 0.724 CB 1.608 30 residues pruned to eliminate duplicates Z: 8 3.673 1.696 -0.017 0.333 0.714 0.714 N 1.400 Z: 14 14.032 1.818 0.628 0.644 1.000 0.692 CB 1.149 9 residues pruned to eliminate duplicates Z: 12 13.541 1.827 0.536 0.607 1.000 0.545 CA 1.314 Z: 22 23.478 2.133 0.726 0.526 0.905 0.714 CB 1.500 22 residues pruned to eliminate duplicates Z: 12 43.234 2.411 1.336 0.803 1.000 0.818 CB 1.776 12 residues pruned to eliminate duplicates Z: 52 59.785 2.209 1.062 0.679 0.980 0.686 CB 1.590 52 residues pruned to eliminate duplicates Z: 38 37.203 2.211 0.904 0.590 0.919 0.730 CB 1.452 38 residues pruned to eliminate duplicates Z: 16 9.167 1.939 0.280 0.407 0.867 0.600 CB 1.214 16 residues pruned to eliminate duplicates Z: 22 88.149 2.534 1.603 0.932 1.000 0.857 CB 2.037 22 residues pruned to eliminate duplicates Z: 9 3.537 1.713 0.356 0.183 0.625 0.500 CB 1.261 9 residues pruned to eliminate duplicates Z: 35 25.781 2.015 0.762 0.529 0.853 0.559 CB 1.419 35 residues pruned to eliminate duplicates Z: 98 82.958 2.318 1.032 0.634 0.938 0.722 CB 1.681 155 residues pruned to eliminate duplicates Z: 18 36.439 1.993 1.158 0.932 1.000 0.588 CB 1.434 18 residues pruned to eliminate duplicates Z: 22 29.351 2.415 0.788 0.433 0.905 0.619 CB 1.757 22 residues pruned to eliminate duplicates Z: 23 48.984 2.505 1.185 0.631 0.864 0.500 CB 1.953 23 residues pruned to eliminate duplicates Z: 25 29.245 2.076 0.899 0.635 0.917 0.833 CB 1.456 25 residues pruned to eliminate duplicates Z: 23 56.390 2.348 0.865 0.910 1.000 0.773 C 1.947 23 residues pruned to eliminate duplicates Z: 26 43.609 2.274 1.156 0.666 1.000 0.760 CB 1.526 26 residues pruned to eliminate duplicates Z: 6 5.032 1.981 0.167 0.338 1.000 0.600 CB 1.161 6 residues pruned to eliminate duplicates Z: 20 33.253 2.212 0.718 0.858 1.000 0.789 CB 1.478 20 residues pruned to eliminate duplicates Z: 28 42.201 2.213 1.055 0.680 0.963 0.630 CB 1.572 28 residues pruned to eliminate duplicates Z: 31 61.610 2.274 1.079 0.821 1.000 0.800 CB 1.801 31 residues pruned to eliminate duplicates Z: 44 63.070 2.259 1.217 0.645 0.953 0.744 CB 1.759 44 residues pruned to eliminate duplicates Z: 11 40.198 2.658 0.850 0.808 1.000 0.900 CB 1.976 11 residues pruned to eliminate duplicates Z: 17 14.838 1.949 0.763 0.559 0.875 0.625 CB 1.165 17 residues pruned to eliminate duplicates Z: 12 28.003 2.150 0.690 0.866 1.000 0.818 CA 1.702 12 residues pruned to eliminate duplicates Z: 16 13.181 1.760 0.307 0.913 1.000 0.867 CB 1.047 16 residues pruned to eliminate duplicates Z: 18 17.229 1.792 0.475 0.908 1.000 0.882 CB 1.123 18 residues pruned to eliminate duplicates Z: 18 22.634 1.853 0.788 0.913 1.000 0.765 CB 1.173 18 residues pruned to eliminate duplicates Z: 8 18.844 2.250 0.522 0.803 1.000 0.857 CB 1.595 8 residues pruned to eliminate duplicates Z: 18 20.094 2.103 0.481 0.493 1.000 0.765 CB 1.575 Z: 14 13.728 1.836 0.711 0.627 0.846 0.692 CB 1.271 9 residues pruned to eliminate duplicates Z: 6 7.241 2.199 0.759 0.150 0.800 0.600 CA 1.610 6 residues pruned to eliminate duplicates Z: 16 19.723 2.206 0.696 0.511 0.867 0.733 CB 1.554 16 residues pruned to eliminate duplicates Z: 25 26.138 2.147 0.542 0.689 0.958 0.792 CB 1.414 25 residues pruned to eliminate duplicates Z: 90 86.324 2.340 1.134 0.624 0.955 0.663 CB 1.707 94 residues pruned to eliminate duplicates Z: 17 14.237 2.064 0.563 0.395 0.938 0.688 CB 1.314 17 residues pruned to eliminate duplicates Z: 68 57.245 2.267 1.064 0.570 0.881 0.687 CB 1.586 68 residues pruned to eliminate duplicates Z: 86 56.599 2.249 0.813 0.536 0.953 0.600 CB 1.526 86 residues pruned to eliminate duplicates Z: 6 5.671 1.585 0.403 0.801 0.800 0.800 CB 1.096 6 residues pruned to eliminate duplicates Z: 50 74.944 2.458 1.043 0.678 0.980 0.796 CB 1.848 50 residues pruned to eliminate duplicates Z: 7 5.755 1.417 0.267 0.588 1.000 0.667 C 1.202 7 residues pruned to eliminate duplicates Z: 18 20.716 1.800 0.789 0.919 1.000 0.824 CB 1.100 18 residues pruned to eliminate duplicates Z: 7 3.760 1.656 -0.070 0.419 1.000 0.667 C 1.085 7 residues pruned to eliminate duplicates Z: 128 79.552 2.246 0.857 0.588 0.969 0.709 CB 1.607 130 residues pruned to eliminate duplicates Z: 11 19.233 1.921 0.626 0.924 1.000 1.000 CB 1.368 11 residues pruned to eliminate duplicates Z: 12 17.892 1.867 0.485 0.928 1.000 1.000 CB 1.362 12 residues pruned to eliminate duplicates Z: 26 25.492 2.037 0.843 0.604 0.880 0.720 CB 1.399 26 residues pruned to eliminate duplicates 6 0.546 1.587 0.178 0.361 0.600 0.200 CB 0.253 ? Z: 19 13.477 1.847 0.888 0.435 0.722 0.556 CB 1.349 19 residues pruned to eliminate duplicates Z: 14 10.988 1.723 0.684 0.356 0.846 0.462 CA 1.451 14 residues pruned to eliminate duplicates Z: 22 42.353 2.297 0.644 0.890 1.000 0.857 CB 1.760 22 residues pruned to eliminate duplicates Z: 20 23.948 2.177 0.788 0.490 0.947 0.737 CB 1.504 19 residues pruned to eliminate duplicates Z: 8 35.357 2.476 0.870 0.924 1.000 1.000 CA 2.026 Z: 56 47.565 2.257 0.949 0.534 0.927 0.673 CB 1.521 27 residues pruned to eliminate duplicates Z: 20 20.748 1.723 0.920 0.863 0.947 0.474 CB 1.114 20 residues pruned to eliminate duplicates Z: 9 24.863 2.009 1.054 0.826 1.000 0.625 CB 1.607 9 residues pruned to eliminate duplicates Z: 28 30.244 2.195 0.990 0.461 0.889 0.741 CB 1.560 28 residues pruned to eliminate duplicates Z: 6 8.909 1.903 0.528 0.590 1.000 0.600 CA 1.257 6 residues pruned to eliminate duplicates Z: 14 19.916 1.753 0.689 0.935 1.000 0.923 CB 1.300 14 residues pruned to eliminate duplicates Z: 47 41.588 2.307 0.691 0.532 0.957 0.739 CB 1.594 47 residues pruned to eliminate duplicates Z: 68 80.522 2.358 1.186 0.653 0.955 0.731 CB 1.733 68 residues pruned to eliminate duplicates Z: 22 23.010 2.236 0.646 0.437 0.905 0.619 CB 1.609 22 residues pruned to eliminate duplicates Z: 18 18.594 2.125 0.891 0.490 0.882 0.706 CB 1.285 18 residues pruned to eliminate duplicates Z: 82 69.680 2.258 1.092 0.557 0.938 0.654 CB 1.653 82 residues pruned to eliminate duplicates Z: 12 15.554 1.929 0.099 0.943 1.000 1.000 CA 1.534 12 residues pruned to eliminate duplicates Z: 33 25.863 1.915 0.899 0.623 0.938 0.688 CB 1.195 22 residues pruned to eliminate duplicates Z: 16 14.457 1.912 0.680 0.396 0.933 0.600 CA 1.390 16 residues pruned to eliminate duplicates Z: 8 12.252 2.176 0.317 0.819 0.857 0.857 CB 1.430 8 residues pruned to eliminate duplicates Z: 6 3.974 1.378 0.569 0.462 0.800 0.600 CB 1.068 6 residues pruned to eliminate duplicates Z: 8 38.724 2.492 1.075 0.918 1.000 1.000 CB 1.996 8 residues pruned to eliminate duplicates Z: 54 46.261 2.255 0.699 0.559 0.925 0.717 CB 1.693 54 residues pruned to eliminate duplicates Z: 6 2.080 1.278 0.347 0.433 0.800 0.600 CB 0.724 Z: 52 47.322 2.259 0.998 0.579 0.882 0.647 CB 1.542 52 residues pruned to eliminate duplicates Z: 8 14.582 2.153 0.503 0.554 1.000 0.714 CA 1.616 8 residues pruned to eliminate duplicates Z: 10 12.672 1.888 0.158 0.916 1.000 1.000 CB 1.365 10 residues pruned to eliminate duplicates Z: 15 12.754 2.031 0.732 0.323 0.929 0.571 CB 1.267 15 residues pruned to eliminate duplicates Z: 68 75.887 2.402 1.096 0.650 0.940 0.612 CB 1.702 68 residues pruned to eliminate duplicates Z: 54 65.190 2.284 1.095 0.657 0.981 0.736 CB 1.650 54 residues pruned to eliminate duplicates Z: 42 40.079 2.354 0.969 0.465 0.878 0.537 CB 1.594 42 residues pruned to eliminate duplicates Z: 23 74.156 2.407 1.467 0.913 0.955 0.682 CB 1.973 23 residues pruned to eliminate duplicates Z: 8 11.359 1.827 0.491 0.781 1.000 0.857 CB 1.230 7 residues pruned to eliminate duplicates Z: 19 30.133 2.216 0.624 0.854 1.000 0.889 CB 1.458 19 residues pruned to eliminate duplicates Z: 17 13.263 2.131 0.617 0.437 0.688 0.688 CB 1.493 17 residues pruned to eliminate duplicates Z: 9 19.508 2.065 0.693 0.812 1.000 1.000 CA 1.503 9 residues pruned to eliminate duplicates Z: 12 17.096 1.875 0.385 0.914 1.000 0.909 CB 1.403 12 residues pruned to eliminate duplicates Z: 40 20.328 1.854 0.529 0.542 1.000 0.692 CB 1.103 42 residues pruned to eliminate duplicates Z: 66 82.311 2.415 1.141 0.665 0.985 0.785 CB 1.721 66 residues pruned to eliminate duplicates Z: 10 19.526 1.885 0.876 0.819 1.000 0.889 CA 1.396 10 residues pruned to eliminate duplicates Z: 12 36.954 2.436 0.786 0.820 1.000 0.818 CB 1.939 12 residues pruned to eliminate duplicates Z: 21 45.392 2.292 0.800 0.910 0.950 0.850 CB 1.837 21 residues pruned to eliminate duplicates Z: 70 42.396 2.170 0.669 0.516 0.913 0.638 CB 1.519 70 residues pruned to eliminate duplicates Z: 14 14.153 1.900 0.527 0.447 0.923 0.692 CA 1.547 14 residues pruned to eliminate duplicates Z: 26 52.144 2.302 1.098 0.731 1.000 0.720 CB 1.754 26 residues pruned to eliminate duplicates Z: 46 68.317 2.377 1.090 0.678 0.978 0.800 CB 1.779 46 residues pruned to eliminate duplicates Z: 12 22.569 2.368 0.727 0.686 0.909 0.727 CA 1.544 12 residues pruned to eliminate duplicates Z: 10 30.751 2.058 1.337 0.757 1.000 0.889 CB 1.695 10 residues pruned to eliminate duplicates Z: 22 88.404 2.625 1.507 0.936 1.000 0.810 CB 2.041 22 residues pruned to eliminate duplicates Z: 19 18.974 1.916 0.766 0.650 0.889 0.611 CB 1.293 19 residues pruned to eliminate duplicates 659 residues left after pruning, divided into chains as follows: A: 37 B: 10 C: 172 D: 8 E: 165 F: 95 G: 172 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 37.98 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.505, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.584, Connect. = 0.782 for dens.mod. cycle 2 = 0.300, Contrast = 0.705, Connect. = 0.811 for dens.mod. cycle 3 = 0.300, Contrast = 0.722, Connect. = 0.815 for dens.mod. cycle 4 = 0.300, Contrast = 0.738, Connect. = 0.817 for dens.mod. cycle 5 = 0.300, Contrast = 0.747, Connect. = 0.819 for dens.mod. cycle 6 = 0.300, Contrast = 0.756, Connect. = 0.820 for dens.mod. cycle 7 = 0.300, Contrast = 0.762, Connect. = 0.821 for dens.mod. cycle 8 = 0.300, Contrast = 0.767, Connect. = 0.822 for dens.mod. cycle 9 = 0.300, Contrast = 0.770, Connect. = 0.822 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4037 peaks > 0.5 sigma used to seed fragment search Space for about 886 unique residues taking solvent into account 851 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 74 65.211 2.432 0.837 0.518 0.945 0.589 CB 1.774 B: 23 69.462 2.591 1.112 0.896 0.955 0.818 CB 2.031 C: 106 69.281 2.387 0.843 0.533 0.914 0.676 CB 1.627 55 residues pruned to eliminate duplicates D: 23 72.941 2.517 1.101 0.907 1.000 0.909 CB 2.091 E: 10 30.466 2.188 1.160 0.870 1.000 0.889 CB 1.568 F: 21 85.148 2.718 1.265 0.927 1.000 0.900 CB 2.167 23 residues pruned to eliminate duplicates G: 24 58.404 2.429 0.834 0.913 0.957 0.783 CA 2.022 24 residues pruned to eliminate duplicates H: 74 55.654 2.441 0.694 0.496 0.918 0.630 CB 1.723 74 residues pruned to eliminate duplicates I: 23 80.616 2.596 1.202 0.925 1.000 0.818 CB 2.110 22 residues pruned to eliminate duplicates J: 23 78.819 2.601 1.158 0.916 1.000 0.773 CB 2.114 23 residues pruned to eliminate duplicates K: 22 66.540 2.682 0.803 0.925 1.000 0.810 CB 2.108 22 residues pruned to eliminate duplicates L: 10 32.736 2.475 0.982 0.797 1.000 0.889 CA 1.715 M: 7 26.003 2.850 0.347 0.870 1.000 1.000 CB 2.017 7 residues pruned to eliminate duplicates N: 23 72.215 2.515 1.028 0.929 1.000 0.864 CA 2.113 23 residues pruned to eliminate duplicates O: 76 46.449 2.297 0.669 0.483 0.880 0.720 CB 1.618 76 residues pruned to eliminate duplicates P: 23 83.310 2.607 1.254 0.928 1.000 0.955 CB 2.116 23 residues pruned to eliminate duplicates Q: 23 70.952 2.598 0.937 0.924 1.000 0.727 CB 2.111 23 residues pruned to eliminate duplicates R: 10 37.211 2.398 1.169 0.831 1.000 0.778 CB 1.793 10 residues pruned to eliminate duplicates S: 23 78.057 2.503 1.240 0.916 1.000 0.818 CA 2.096 24 residues pruned to eliminate duplicates T: 11 27.335 2.208 1.007 0.885 1.000 0.800 CB 1.409 11 residues pruned to eliminate duplicates U: 9 16.407 2.038 0.656 0.780 0.875 0.500 CB 1.535 9 residues pruned to eliminate duplicates V: 11 35.594 2.727 0.708 0.674 1.000 0.900 CA 2.059 W: 10 34.241 2.522 1.087 0.780 0.889 0.778 CA 1.906 10 residues pruned to eliminate duplicates X: 59 80.916 2.553 1.019 0.621 0.948 0.690 CB 1.939 33 residues pruned to eliminate duplicates Y: 89 66.863 2.406 0.701 0.537 0.932 0.670 CB 1.803 32 residues pruned to eliminate duplicates Z: 23 48.666 2.524 0.551 0.891 0.955 0.818 CB 1.997 23 residues pruned to eliminate duplicates Z: 134 95.728 2.440 0.841 0.604 0.932 0.692 CB 1.794 125 residues pruned to eliminate duplicates Z: 37 58.584 2.318 0.871 0.792 1.000 0.806 CB 1.742 Z: 13 37.421 2.478 0.800 0.787 1.000 0.917 CA 1.882 13 residues pruned to eliminate duplicates Z: 40 42.176 2.223 0.949 0.576 0.897 0.564 CB 1.613 Z: 12 33.095 2.487 0.486 0.808 1.000 0.818 CB 2.064 Z: 9 27.348 2.518 0.917 0.787 0.875 0.750 CB 1.779 9 residues pruned to eliminate duplicates Z: 10 27.588 2.355 0.798 0.773 0.889 0.667 CB 1.920 10 residues pruned to eliminate duplicates Z: 22 70.765 2.685 0.883 0.924 1.000 0.810 CB 2.145 22 residues pruned to eliminate duplicates Z: 24 62.338 2.443 0.847 0.919 1.000 0.826 CB 2.030 24 residues pruned to eliminate duplicates Z: 23 77.590 2.606 1.103 0.927 1.000 0.864 CB 2.116 23 residues pruned to eliminate duplicates Z: 10 28.436 2.397 0.853 0.883 0.889 0.889 CB 1.736 Z: 22 65.328 2.696 0.753 0.923 1.000 0.952 CB 2.121 22 residues pruned to eliminate duplicates Z: 11 41.946 2.742 0.750 0.778 1.000 0.800 CB 2.163 11 residues pruned to eliminate duplicates Z: 20 60.585 2.663 0.867 0.934 0.947 0.842 CB 2.057 20 residues pruned to eliminate duplicates Z: 76 76.456 2.434 1.064 0.603 0.920 0.640 CB 1.732 76 residues pruned to eliminate duplicates Z: 22 55.190 2.509 0.652 0.926 1.000 0.952 CB 2.038 22 residues pruned to eliminate duplicates Z: 78 80.019 2.543 0.866 0.593 0.935 0.688 CB 1.879 78 residues pruned to eliminate duplicates Z: 10 14.174 2.157 0.724 0.386 0.889 0.444 CB 1.614 Z: 10 28.555 2.371 1.038 0.890 0.889 0.889 CB 1.595 10 residues pruned to eliminate duplicates Z: 10 29.219 2.389 0.936 0.913 0.889 0.889 CB 1.677 10 residues pruned to eliminate duplicates Z: 10 17.006 1.966 0.451 0.835 1.000 0.667 CA 1.488 Z: 23 78.397 2.530 1.227 0.923 1.000 0.773 CB 2.084 23 residues pruned to eliminate duplicates Z: 13 42.365 2.470 1.014 0.796 1.000 0.750 CB 1.897 13 residues pruned to eliminate duplicates Z: 15 23.015 2.021 0.982 0.659 0.857 0.714 CB 1.545 Z: 22 81.432 2.702 1.249 0.922 0.952 0.810 CB 2.160 22 residues pruned to eliminate duplicates Z: 24 63.300 2.472 1.036 0.896 0.957 0.783 CB 1.963 24 residues pruned to eliminate duplicates Z: 12 40.066 2.571 0.878 0.774 1.000 0.727 CA 1.964 12 residues pruned to eliminate duplicates Z: 9 18.256 2.257 0.357 0.776 0.875 0.750 N 1.886 9 residues pruned to eliminate duplicates Z: 31 63.291 2.340 1.042 0.826 0.967 0.833 CB 1.887 31 residues pruned to eliminate duplicates Z: 22 77.875 2.697 1.067 0.920 1.000 0.905 CB 2.147 22 residues pruned to eliminate duplicates Z: 23 78.798 2.524 1.286 0.915 1.000 0.773 CB 2.058 23 residues pruned to eliminate duplicates Z: 9 16.732 1.869 0.610 0.827 1.000 0.750 CA 1.482 9 residues pruned to eliminate duplicates Z: 11 40.328 2.815 0.685 0.769 1.000 0.800 CB 2.118 11 residues pruned to eliminate duplicates Z: 102 77.907 2.352 0.867 0.594 0.931 0.634 CB 1.734 47 residues pruned to eliminate duplicates Z: 24 59.456 2.430 0.773 0.939 1.000 0.913 CA 1.999 24 residues pruned to eliminate duplicates Z: 27 27.999 2.376 0.837 0.383 0.885 0.538 CB 1.611 27 residues pruned to eliminate duplicates Z: 14 36.883 2.305 1.129 0.777 0.923 0.692 CA 1.768 14 residues pruned to eliminate duplicates Z: 19 36.017 2.269 0.567 0.890 1.000 0.778 CB 1.718 19 residues pruned to eliminate duplicates Z: 22 71.519 2.519 1.055 0.921 1.000 0.905 CB 2.122 22 residues pruned to eliminate duplicates Z: 12 44.385 2.503 1.185 0.774 1.000 0.727 CB 1.922 12 residues pruned to eliminate duplicates Z: 19 35.398 2.273 0.598 0.885 1.000 0.889 CB 1.659 19 residues pruned to eliminate duplicates Z: 11 34.684 2.504 0.779 0.748 1.000 0.900 CB 1.973 11 residues pruned to eliminate duplicates Z: 44 52.509 2.532 0.914 0.529 0.907 0.628 CB 1.771 43 residues pruned to eliminate duplicates Z: 9 14.158 1.981 0.560 0.844 0.750 0.500 CB 1.607 9 residues pruned to eliminate duplicates Z: 22 48.362 2.301 0.839 0.907 1.000 0.857 CB 1.773 22 residues pruned to eliminate duplicates Z: 10 38.449 2.545 1.310 0.828 1.000 0.778 CB 1.642 10 residues pruned to eliminate duplicates Z: 24 49.962 2.447 0.607 0.913 0.957 0.783 CB 1.959 24 residues pruned to eliminate duplicates Z: 9 18.719 2.149 0.545 0.845 1.000 0.750 CB 1.483 9 residues pruned to eliminate duplicates Z: 10 39.714 2.425 1.335 0.896 1.000 0.889 CB 1.674 10 residues pruned to eliminate duplicates Z: 12 32.327 2.529 0.730 0.728 0.909 0.727 CB 1.995 12 residues pruned to eliminate duplicates Z: 9 23.512 2.337 0.456 0.879 1.000 1.000 CB 1.771 9 residues pruned to eliminate duplicates Z: 37 35.458 2.205 0.830 0.553 0.917 0.694 CB 1.518 37 residues pruned to eliminate duplicates Z: 23 17.800 1.952 0.872 0.501 0.864 0.545 CB 1.202 Z: 18 31.921 2.457 0.445 0.872 0.941 0.882 CB 1.689 18 residues pruned to eliminate duplicates Z: 12 36.503 2.383 0.771 0.803 1.000 0.727 CA 2.002 12 residues pruned to eliminate duplicates Z: 24 40.298 2.235 0.581 0.900 0.957 0.870 CA 1.776 Z: 9 28.325 2.385 0.736 0.857 1.000 0.875 CB 1.782 9 residues pruned to eliminate duplicates Z: 8 22.655 2.417 0.496 0.841 1.000 0.857 CB 1.766 9 residues pruned to eliminate duplicates Z: 13 30.558 2.152 0.895 0.903 1.000 0.917 CA 1.541 13 residues pruned to eliminate duplicates Z: 20 24.135 2.252 0.767 0.432 0.895 0.579 CB 1.670 20 residues pruned to eliminate duplicates Z: 112 94.219 2.480 0.891 0.603 0.937 0.667 CB 1.845 112 residues pruned to eliminate duplicates Z: 23 81.871 2.546 1.282 0.925 1.000 0.864 C 2.108 23 residues pruned to eliminate duplicates Z: 23 54.088 2.328 0.988 0.897 0.955 0.864 CA 1.869 24 residues pruned to eliminate duplicates Z: 21 38.225 2.144 0.721 0.931 0.950 0.850 CB 1.704 21 residues pruned to eliminate duplicates Z: 8 18.446 2.161 0.471 0.823 1.000 0.714 CA 1.657 8 residues pruned to eliminate duplicates Z: 48 44.713 2.453 0.767 0.491 0.915 0.574 CB 1.659 21 residues pruned to eliminate duplicates Z: 11 32.017 2.152 1.112 0.826 0.900 0.800 CB 1.866 11 residues pruned to eliminate duplicates Z: 12 39.537 2.686 0.935 0.807 0.909 0.818 CA 1.930 12 residues pruned to eliminate duplicates Z: 15 34.449 2.457 0.850 0.762 0.857 0.714 CB 1.872 15 residues pruned to eliminate duplicates Z: 23 48.476 2.310 0.664 0.922 1.000 0.955 CA 1.891 23 residues pruned to eliminate duplicates Z: 32 43.260 2.471 0.763 0.542 0.935 0.710 CB 1.829 31 residues pruned to eliminate duplicates Z: 10 18.465 1.874 0.649 0.874 1.000 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 53 42.830 2.321 0.794 0.440 0.923 0.577 CB 1.644 53 residues pruned to eliminate duplicates Z: 10 16.366 1.924 0.647 0.785 0.889 0.556 CA 1.507 10 residues pruned to eliminate duplicates Z: 96 71.707 2.431 0.861 0.534 0.905 0.716 CB 1.737 96 residues pruned to eliminate duplicates Z: 7 11.129 2.069 0.215 0.793 0.833 0.500 CA 1.677 Z: 22 56.502 2.379 0.903 0.923 1.000 0.762 CA 1.914 23 residues pruned to eliminate duplicates Z: 24 37.479 2.422 0.691 0.529 1.000 0.652 CB 1.854 24 residues pruned to eliminate duplicates Z: 8 22.998 2.220 0.786 0.830 1.000 0.857 CB 1.649 8 residues pruned to eliminate duplicates Z: 18 35.530 2.377 0.564 0.891 0.941 0.882 CB 1.771 18 residues pruned to eliminate duplicates Z: 9 26.641 2.632 0.521 0.819 0.875 0.875 CA 2.038 9 residues pruned to eliminate duplicates Z: 13 22.832 2.237 0.487 0.696 0.917 0.750 CA 1.807 13 residues pruned to eliminate duplicates Z: 10 18.658 2.216 0.140 0.886 0.889 0.889 CB 1.997 10 residues pruned to eliminate duplicates Z: 63 81.743 2.448 1.085 0.655 0.952 0.742 CB 1.850 68 residues pruned to eliminate duplicates Z: 20 19.050 2.083 0.894 0.535 0.842 0.632 CB 1.271 20 residues pruned to eliminate duplicates Z: 47 29.149 2.188 0.542 0.420 0.870 0.543 CB 1.592 38 residues pruned to eliminate duplicates Z: 74 52.318 2.290 0.711 0.542 0.863 0.685 CB 1.738 74 residues pruned to eliminate duplicates Z: 13 31.712 2.163 0.810 0.909 1.000 0.917 CA 1.660 13 residues pruned to eliminate duplicates Z: 11 32.270 2.292 1.353 0.797 0.900 0.700 CB 1.620 11 residues pruned to eliminate duplicates Z: 19 37.842 2.315 0.743 0.905 1.000 0.722 CB 1.573 19 residues pruned to eliminate duplicates Z: 22 50.241 2.409 0.735 0.932 0.952 0.905 CB 1.924 22 residues pruned to eliminate duplicates Z: 10 19.297 2.200 0.747 0.758 0.778 0.556 CB 1.711 10 residues pruned to eliminate duplicates Z: 22 30.456 2.005 0.966 0.666 0.905 0.810 CB 1.598 Z: 13 32.215 2.160 0.867 0.914 1.000 1.000 CA 1.631 13 residues pruned to eliminate duplicates Z: 10 17.897 2.107 0.446 0.852 0.889 0.667 CB 1.630 10 residues pruned to eliminate duplicates Z: 9 39.225 2.535 1.310 0.798 1.000 0.875 CB 1.824 9 residues pruned to eliminate duplicates Z: 24 42.132 2.212 0.679 0.902 0.957 0.870 CB 1.763 24 residues pruned to eliminate duplicates Z: 24 44.323 2.227 0.628 0.907 1.000 0.870 CB 1.812 24 residues pruned to eliminate duplicates Z: 24 74.513 2.452 1.469 0.903 0.913 0.783 CB 2.003 24 residues pruned to eliminate duplicates Z: 23 47.053 2.221 0.976 0.898 0.955 0.682 CB 1.713 23 residues pruned to eliminate duplicates Z: 22 91.016 2.707 1.348 0.937 1.000 0.810 CB 2.175 22 residues pruned to eliminate duplicates Z: 34 26.411 2.140 0.343 0.570 0.939 0.697 CB 1.592 34 residues pruned to eliminate duplicates Z: 6 16.033 2.393 0.200 0.819 1.000 1.000 CB 1.892 8 residues pruned to eliminate duplicates Z: 32 30.521 2.197 0.605 0.613 0.903 0.774 CB 1.546 32 residues pruned to eliminate duplicates Z: 104 76.898 2.364 0.884 0.565 0.922 0.612 CB 1.733 96 residues pruned to eliminate duplicates Z: 11 19.736 2.107 0.710 0.728 0.800 0.700 CB 1.763 11 residues pruned to eliminate duplicates Z: 21 51.002 2.479 0.642 0.952 1.000 0.950 CB 1.930 21 residues pruned to eliminate duplicates Z: 23 68.033 2.559 1.124 0.921 0.909 0.727 CB 2.066 23 residues pruned to eliminate duplicates Z: 22 19.744 2.312 0.654 0.350 0.810 0.571 CB 1.638 22 residues pruned to eliminate duplicates Z: 11 26.693 2.377 0.634 0.806 1.000 0.700 CB 1.665 11 residues pruned to eliminate duplicates Z: 17 17.533 2.172 0.609 0.448 0.875 0.438 CB 1.512 17 residues pruned to eliminate duplicates Z: 62 77.112 2.382 1.132 0.634 0.967 0.639 CB 1.773 62 residues pruned to eliminate duplicates Z: 8 12.773 2.047 0.689 0.823 0.857 0.714 CB 1.231 8 residues pruned to eliminate duplicates Z: 12 27.584 2.191 0.839 0.907 0.909 0.909 CA 1.615 12 residues pruned to eliminate duplicates Z: 19 32.229 2.387 0.410 0.882 1.000 0.889 CB 1.632 19 residues pruned to eliminate duplicates Z: 8 25.220 2.348 0.588 0.871 1.000 0.857 CA 1.864 8 residues pruned to eliminate duplicates Z: 13 44.470 2.472 1.173 0.781 1.000 0.750 CA 1.866 13 residues pruned to eliminate duplicates Z: 22 58.503 2.510 0.884 0.925 0.905 0.762 CB 2.094 22 residues pruned to eliminate duplicates Z: 8 25.970 2.275 0.793 0.903 1.000 0.857 CB 1.715 8 residues pruned to eliminate duplicates Z: 9 16.411 1.879 0.879 0.859 0.875 0.625 CB 1.383 9 residues pruned to eliminate duplicates Z: 19 36.638 2.362 0.613 0.886 1.000 0.833 CB 1.636 19 residues pruned to eliminate duplicates Z: 23 60.168 2.330 1.145 0.926 0.955 0.773 CB 1.886 23 residues pruned to eliminate duplicates Z: 42 34.808 2.040 0.661 0.686 0.927 0.634 CB 1.460 22 residues pruned to eliminate duplicates Z: 23 43.305 2.306 0.503 0.937 1.000 0.955 CB 1.854 23 residues pruned to eliminate duplicates Z: 20 38.821 2.241 0.755 0.907 0.895 0.842 CB 1.800 20 residues pruned to eliminate duplicates Z: 23 53.678 2.297 1.016 0.906 0.955 0.773 CB 1.842 23 residues pruned to eliminate duplicates Z: 64 81.987 2.523 0.978 0.646 0.968 0.698 CB 1.865 64 residues pruned to eliminate duplicates Z: 48 44.002 2.214 0.846 0.582 0.936 0.660 CB 1.550 49 residues pruned to eliminate duplicates Z: 13 34.904 2.230 0.843 0.888 1.000 0.667 CA 1.767 13 residues pruned to eliminate duplicates Z: 28 33.338 2.239 0.973 0.602 0.815 0.704 CB 1.618 28 residues pruned to eliminate duplicates Z: 19 26.813 2.029 0.424 0.885 1.000 0.833 CA 1.580 19 residues pruned to eliminate duplicates Z: 23 45.280 2.297 0.752 0.906 0.955 0.909 CB 1.788 23 residues pruned to eliminate duplicates Z: 22 48.843 2.287 0.835 0.887 1.000 0.810 CB 1.832 22 residues pruned to eliminate duplicates Z: 19 36.256 2.209 0.520 0.945 1.000 0.944 CB 1.762 19 residues pruned to eliminate duplicates Z: 19 41.586 2.347 0.833 0.881 1.000 0.778 CB 1.650 19 residues pruned to eliminate duplicates Z: 23 75.985 2.533 1.145 0.899 1.000 0.818 C 2.132 23 residues pruned to eliminate duplicates Z: 21 69.129 2.689 0.942 0.922 1.000 0.950 CB 2.081 21 residues pruned to eliminate duplicates Z: 23 53.365 2.308 1.001 0.925 0.955 0.864 CB 1.811 23 residues pruned to eliminate duplicates Z: 16 26.575 2.314 0.996 0.599 0.800 0.733 CB 1.689 4 residues pruned to eliminate duplicates Z: 35 39.001 2.452 0.660 0.520 0.912 0.676 CB 1.767 35 residues pruned to eliminate duplicates Z: 23 80.240 2.523 1.305 0.913 1.000 0.727 C 2.082 23 residues pruned to eliminate duplicates Z: 14 26.653 2.056 0.721 0.923 1.000 1.000 CA 1.469 14 residues pruned to eliminate duplicates Z: 8 19.688 2.183 0.769 0.842 1.000 0.714 CB 1.437 8 residues pruned to eliminate duplicates Z: 23 40.971 2.197 0.697 0.911 1.000 0.955 CB 1.661 23 residues pruned to eliminate duplicates Z: 11 21.265 2.251 0.364 0.775 1.000 0.700 CB 1.718 11 residues pruned to eliminate duplicates Z: 10 7.139 1.731 0.398 0.298 1.000 0.556 CB 1.232 10 residues pruned to eliminate duplicates Z: 22 73.478 2.675 1.116 0.918 0.952 0.857 CB 2.097 22 residues pruned to eliminate duplicates Z: 22 44.852 2.254 0.730 0.923 0.952 0.857 CA 1.852 22 residues pruned to eliminate duplicates Z: 65 71.413 2.419 0.848 0.646 0.938 0.703 CB 1.860 65 residues pruned to eliminate duplicates Z: 45 33.699 2.064 0.834 0.477 0.932 0.568 CB 1.474 45 residues pruned to eliminate duplicates Z: 24 51.389 2.259 0.948 0.904 0.957 0.870 CA 1.813 24 residues pruned to eliminate duplicates Z: 13 27.059 2.363 0.667 0.765 0.917 0.667 CB 1.709 13 residues pruned to eliminate duplicates Z: 10 26.596 2.341 1.040 0.825 0.889 0.778 CB 1.576 10 residues pruned to eliminate duplicates Z: 28 30.346 2.282 0.863 0.546 0.889 0.667 CB 1.477 28 residues pruned to eliminate duplicates Z: 19 30.496 2.043 0.717 0.848 0.944 0.833 CB 1.609 19 residues pruned to eliminate duplicates Z: 23 61.502 2.563 0.864 0.920 0.955 0.773 CB 2.026 23 residues pruned to eliminate duplicates Z: 33 41.637 2.435 0.733 0.586 0.938 0.719 CB 1.713 33 residues pruned to eliminate duplicates Z: 9 26.188 2.416 0.507 0.877 1.000 1.000 CB 1.846 9 residues pruned to eliminate duplicates Z: 18 37.295 2.143 0.730 0.919 1.000 0.941 CB 1.719 18 residues pruned to eliminate duplicates Z: 13 28.289 2.250 0.824 0.823 0.917 0.750 C 1.640 13 residues pruned to eliminate duplicates Z: 12 34.289 2.473 0.735 0.790 1.000 0.909 CB 1.867 12 residues pruned to eliminate duplicates Z: 69 58.541 2.397 0.810 0.589 0.926 0.735 CB 1.621 69 residues pruned to eliminate duplicates Z: 21 54.948 2.572 0.641 0.932 0.950 0.900 CB 2.139 21 residues pruned to eliminate duplicates Z: 25 69.452 2.356 1.233 0.884 1.000 0.708 CB 1.948 25 residues pruned to eliminate duplicates Z: 18 33.283 2.350 0.514 0.889 1.000 0.824 CB 1.633 18 residues pruned to eliminate duplicates Z: 14 24.883 2.279 0.946 0.609 0.846 0.615 CB 1.658 14 residues pruned to eliminate duplicates Z: 6 9.672 2.195 0.272 0.793 0.800 0.400 CB 1.497 6 residues pruned to eliminate duplicates Z: 7 15.917 2.197 0.368 0.829 1.000 0.833 CB 1.628 7 residues pruned to eliminate duplicates Z: 18 30.404 2.117 0.745 0.875 0.941 0.882 CB 1.542 18 residues pruned to eliminate duplicates Z: 12 36.341 2.329 0.813 0.903 1.000 0.818 CA 1.850 12 residues pruned to eliminate duplicates Z: 23 69.685 2.547 1.106 0.918 0.955 0.909 CB 2.046 23 residues pruned to eliminate duplicates Z: 18 32.688 2.431 0.359 0.904 1.000 0.941 CB 1.709 18 residues pruned to eliminate duplicates Z: 98 66.597 2.338 0.897 0.534 0.897 0.608 CB 1.644 98 residues pruned to eliminate duplicates Z: 7 9.153 1.836 0.267 0.704 1.000 0.500 CB 1.334 7 residues pruned to eliminate duplicates Z: 10 22.015 2.213 0.556 0.823 0.889 0.667 CB 1.812 10 residues pruned to eliminate duplicates Z: 11 28.272 2.107 0.732 0.903 1.000 0.900 C 1.746 11 residues pruned to eliminate duplicates Z: 23 47.276 2.208 0.824 0.933 1.000 0.955 CB 1.746 23 residues pruned to eliminate duplicates Z: 18 27.968 2.130 0.327 0.920 1.000 1.000 CB 1.690 18 residues pruned to eliminate duplicates Z: 9 15.877 2.084 0.518 0.862 0.875 0.750 CB 1.489 9 residues pruned to eliminate duplicates Z: 21 23.124 2.172 1.015 0.452 0.850 0.600 CB 1.460 21 residues pruned to eliminate duplicates Z: 8 29.034 2.340 0.857 0.905 1.000 1.000 CB 1.798 8 residues pruned to eliminate duplicates Z: 18 30.704 2.114 0.449 0.914 1.000 0.882 CB 1.718 18 residues pruned to eliminate duplicates Z: 72 50.080 2.354 0.624 0.507 0.915 0.648 CB 1.687 72 residues pruned to eliminate duplicates Z: 13 20.192 2.201 0.842 0.575 0.833 0.750 CB 1.605 13 residues pruned to eliminate duplicates Z: 13 35.107 2.180 0.931 0.894 1.000 0.833 CA 1.726 13 residues pruned to eliminate duplicates Z: 9 17.933 2.035 0.567 0.856 0.875 0.750 CB 1.677 11 residues pruned to eliminate duplicates Z: 110 78.011 2.380 0.882 0.594 0.908 0.679 CB 1.680 108 residues pruned to eliminate duplicates Z: 16 26.802 2.327 0.954 0.607 0.800 0.733 CB 1.719 16 residues pruned to eliminate duplicates Z: 17 31.802 2.442 0.331 0.909 1.000 0.938 CB 1.736 17 residues pruned to eliminate duplicates Z: 107 76.284 2.375 0.818 0.567 0.906 0.689 CB 1.775 107 residues pruned to eliminate duplicates Z: 23 46.484 2.292 0.726 0.915 0.955 0.864 CA 1.855 23 residues pruned to eliminate duplicates Z: 24 48.896 2.247 0.835 0.924 0.957 0.913 CA 1.816 24 residues pruned to eliminate duplicates Z: 24 52.540 2.248 0.987 0.926 0.957 0.870 CB 1.798 24 residues pruned to eliminate duplicates Z: 7 6.844 2.030 0.250 0.747 0.667 0.667 CA 1.325 7 residues pruned to eliminate duplicates Z: 9 16.566 1.999 0.484 0.715 1.000 0.375 C 1.625 9 residues pruned to eliminate duplicates Z: 36 21.038 1.955 0.453 0.567 0.943 0.686 CB 1.244 11 residues pruned to eliminate duplicates Z: 99 66.635 2.395 0.657 0.537 0.898 0.684 CB 1.821 99 residues pruned to eliminate duplicates Z: 10 35.949 2.526 1.035 0.820 1.000 0.889 CB 1.765 10 residues pruned to eliminate duplicates Z: 23 65.405 2.578 1.010 0.916 0.955 0.909 CB 1.991 23 residues pruned to eliminate duplicates Z: 23 40.979 2.209 0.775 0.871 0.955 0.818 CB 1.704 23 residues pruned to eliminate duplicates Z: 68 44.131 2.324 0.585 0.523 0.955 0.687 CB 1.498 68 residues pruned to eliminate duplicates Z: 114 71.986 2.395 0.832 0.518 0.903 0.646 CB 1.679 114 residues pruned to eliminate duplicates Z: 9 23.266 2.370 0.673 0.779 0.875 0.875 CB 1.854 9 residues pruned to eliminate duplicates Z: 32 40.050 2.417 0.894 0.541 0.839 0.581 CB 1.800 31 residues pruned to eliminate duplicates Z: 24 48.657 2.248 0.858 0.913 0.957 0.826 CB 1.798 24 residues pruned to eliminate duplicates Z: 38 47.577 2.237 0.767 0.768 0.946 0.757 CB 1.650 38 residues pruned to eliminate duplicates Z: 58 52.575 2.324 0.975 0.561 0.860 0.667 CB 1.664 58 residues pruned to eliminate duplicates Z: 23 44.714 2.205 0.872 0.893 0.955 0.864 CB 1.737 23 residues pruned to eliminate duplicates Z: 50 55.239 2.323 0.800 0.663 0.898 0.694 CB 1.806 50 residues pruned to eliminate duplicates Z: 18 43.024 2.469 0.760 0.882 1.000 0.765 CB 1.737 18 residues pruned to eliminate duplicates Z: 9 23.780 2.171 1.028 0.824 0.875 0.875 CB 1.649 9 residues pruned to eliminate duplicates Z: 11 18.986 1.957 0.513 0.898 1.000 0.900 CB 1.451 11 residues pruned to eliminate duplicates Z: 12 33.720 2.271 0.749 0.917 1.000 1.000 CA 1.806 12 residues pruned to eliminate duplicates Z: 38 45.815 2.490 0.931 0.521 0.865 0.649 CB 1.773 38 residues pruned to eliminate duplicates Z: 10 28.876 2.376 0.861 0.843 1.000 0.778 CB 1.621 10 residues pruned to eliminate duplicates Z: 23 57.391 2.316 1.102 0.913 0.955 0.864 CB 1.864 23 residues pruned to eliminate duplicates Z: 14 9.421 1.904 0.443 0.373 0.923 0.462 CB 1.180 14 residues pruned to eliminate duplicates Z: 9 13.733 1.994 0.452 0.745 1.000 0.750 CA 1.347 9 residues pruned to eliminate duplicates Z: 19 47.933 2.245 1.026 0.921 1.000 0.611 CB 1.748 19 residues pruned to eliminate duplicates Z: 9 13.613 1.850 0.306 0.816 1.000 0.625 CB 1.514 9 residues pruned to eliminate duplicates Z: 24 62.621 2.463 1.024 0.919 0.957 0.826 CB 1.930 24 residues pruned to eliminate duplicates Z: 68 60.808 2.376 0.950 0.587 0.910 0.672 CB 1.620 68 residues pruned to eliminate duplicates Z: 28 35.757 2.352 0.689 0.497 0.926 0.704 CB 1.875 28 residues pruned to eliminate duplicates Z: 6 5.742 2.014 0.067 0.696 0.800 0.800 CA 1.248 6 residues pruned to eliminate duplicates Z: 17 12.469 2.083 0.326 0.385 0.938 0.625 CB 1.360 17 residues pruned to eliminate duplicates Z: 7 5.623 1.958 0.418 0.243 0.833 0.667 CB 1.335 7 residues pruned to eliminate duplicates Z: 9 9.498 1.991 0.538 0.433 0.875 0.375 CB 1.344 Z: 58 52.461 2.372 0.735 0.599 0.947 0.719 CB 1.621 58 residues pruned to eliminate duplicates Z: 99 71.774 2.413 0.860 0.529 0.929 0.673 CB 1.690 99 residues pruned to eliminate duplicates Z: 105 88.171 2.467 0.900 0.598 0.894 0.731 CB 1.879 105 residues pruned to eliminate duplicates Z: 24 56.777 2.242 1.163 0.915 0.957 0.870 CA 1.804 24 residues pruned to eliminate duplicates Z: 21 24.644 2.092 0.895 0.489 0.950 0.550 CB 1.480 21 residues pruned to eliminate duplicates Z: 10 21.431 2.051 0.928 0.857 1.000 0.889 CB 1.331 10 residues pruned to eliminate duplicates Z: 22 56.161 2.396 0.850 0.916 1.000 0.952 CA 1.952 22 residues pruned to eliminate duplicates Z: 17 25.597 2.185 0.979 0.540 0.875 0.688 CB 1.626 17 residues pruned to eliminate duplicates Z: 24 76.890 2.493 1.396 0.895 0.957 0.913 CA 2.012 24 residues pruned to eliminate duplicates Z: 21 42.695 2.264 0.699 0.910 1.000 0.950 CB 1.761 21 residues pruned to eliminate duplicates Z: 10 35.194 2.393 1.235 0.872 1.000 0.778 CB 1.599 10 residues pruned to eliminate duplicates Z: 23 43.692 2.248 0.861 0.888 0.864 0.727 CA 1.857 23 residues pruned to eliminate duplicates Z: 11 5.805 2.088 0.777 0.164 0.600 0.400 CB 1.241 11 residues pruned to eliminate duplicates Z: 15 19.143 2.000 0.241 0.930 1.000 0.929 CB 1.442 17 residues pruned to eliminate duplicates Z: 23 50.523 2.298 0.867 0.926 0.955 0.864 CB 1.845 23 residues pruned to eliminate duplicates Z: 51 49.967 2.325 0.811 0.567 0.940 0.620 CB 1.673 51 residues pruned to eliminate duplicates Z: 63 48.838 2.321 0.683 0.527 0.903 0.677 CB 1.712 63 residues pruned to eliminate duplicates Z: 22 54.629 2.364 0.853 0.915 1.000 0.810 CA 1.923 22 residues pruned to eliminate duplicates Z: 10 18.802 2.050 0.797 0.857 0.889 0.778 CB 1.411 10 residues pruned to eliminate duplicates Z: 12 35.504 2.443 0.906 0.745 0.909 0.545 CA 2.031 12 residues pruned to eliminate duplicates Z: 9 27.096 2.229 0.977 0.880 1.000 0.750 CB 1.575 9 residues pruned to eliminate duplicates Z: 10 21.251 2.291 0.519 0.872 0.889 0.889 CB 1.669 10 residues pruned to eliminate duplicates Z: 22 53.821 2.307 1.019 0.909 1.000 0.905 CB 1.790 22 residues pruned to eliminate duplicates Z: 24 73.184 2.479 1.196 0.917 0.957 0.913 CA 2.069 24 residues pruned to eliminate duplicates Z: 10 11.780 2.007 0.630 0.568 0.778 0.667 CA 1.445 9 residues pruned to eliminate duplicates Z: 57 59.593 2.411 0.889 0.627 0.946 0.625 CB 1.638 57 residues pruned to eliminate duplicates Z: 97 65.480 2.290 0.834 0.557 0.906 0.635 CB 1.660 100 residues pruned to eliminate duplicates Z: 22 51.801 2.291 0.953 0.890 1.000 0.905 CB 1.817 22 residues pruned to eliminate duplicates Z: 10 33.776 2.288 1.319 0.833 1.000 0.778 CB 1.592 10 residues pruned to eliminate duplicates Z: 40 33.311 2.160 0.669 0.501 0.897 0.615 CB 1.647 40 residues pruned to eliminate duplicates Z: 9 18.908 1.913 0.789 0.866 1.000 0.750 C 1.430 9 residues pruned to eliminate duplicates Z: 22 47.434 2.284 0.719 0.907 1.000 0.714 CB 1.874 22 residues pruned to eliminate duplicates Z: 8 23.869 2.177 0.783 0.843 1.000 0.714 C 1.730 8 residues pruned to eliminate duplicates Z: 14 20.441 2.146 0.856 0.609 0.923 0.692 CB 1.390 18 residues pruned to eliminate duplicates Z: 46 50.614 2.302 0.815 0.670 0.867 0.733 CB 1.781 48 residues pruned to eliminate duplicates Z: 9 23.988 2.230 0.957 0.868 0.875 0.875 CB 1.624 9 residues pruned to eliminate duplicates Z: 7 6.322 1.959 0.790 0.362 0.667 0.500 CA 1.281 7 residues pruned to eliminate duplicates Z: 24 74.259 2.429 1.333 0.914 0.957 0.696 CA 2.020 24 residues pruned to eliminate duplicates Z: 46 34.939 2.034 0.695 0.642 0.911 0.689 CB 1.452 46 residues pruned to eliminate duplicates Z: 12 21.409 1.936 0.615 0.935 1.000 1.000 CB 1.439 12 residues pruned to eliminate duplicates Z: 17 14.844 1.828 0.126 0.924 1.000 0.875 CB 1.267 17 residues pruned to eliminate duplicates Z: 25 26.065 2.107 0.718 0.608 0.875 0.667 CB 1.517 25 residues pruned to eliminate duplicates Z: 13 20.316 1.835 0.548 0.930 1.000 0.917 CA 1.444 13 residues pruned to eliminate duplicates Z: 11 19.156 1.952 0.527 0.914 1.000 0.900 CB 1.437 11 residues pruned to eliminate duplicates Z: 8 19.935 2.045 0.679 0.880 1.000 1.000 CB 1.590 8 residues pruned to eliminate duplicates Z: 23 41.803 2.278 0.622 0.913 0.955 0.864 CB 1.788 23 residues pruned to eliminate duplicates Z: 23 77.989 2.524 1.263 0.915 1.000 0.818 C 2.057 23 residues pruned to eliminate duplicates Z: 11 18.586 1.930 0.562 0.911 1.000 0.800 CB 1.382 11 residues pruned to eliminate duplicates Z: 71 47.617 2.276 0.499 0.526 0.957 0.629 CB 1.698 71 residues pruned to eliminate duplicates Z: 26 25.263 2.149 0.563 0.559 0.920 0.640 CB 1.544 26 residues pruned to eliminate duplicates Z: 16 13.606 1.840 0.143 0.915 1.000 0.867 CB 1.181 16 residues pruned to eliminate duplicates Z: 16 13.968 1.794 0.199 0.920 1.000 0.933 CB 1.181 16 residues pruned to eliminate duplicates Z: 11 22.348 2.023 0.793 0.919 1.000 1.000 CB 1.373 11 residues pruned to eliminate duplicates Z: 24 76.662 2.440 1.307 0.894 1.000 0.739 C 2.038 24 residues pruned to eliminate duplicates Z: 13 21.442 2.173 0.297 0.897 1.000 0.833 CA 1.572 13 residues pruned to eliminate duplicates Z: 9 25.141 2.260 0.513 0.874 1.000 0.750 C 1.892 9 residues pruned to eliminate duplicates Z: 22 88.144 2.661 1.338 0.921 1.000 0.762 CB 2.175 22 residues pruned to eliminate duplicates Z: 12 19.964 2.180 0.648 0.625 0.909 0.818 CB 1.638 12 residues pruned to eliminate duplicates Z: 18 33.262 2.178 0.564 0.895 1.000 0.824 CB 1.697 18 residues pruned to eliminate duplicates Z: 22 46.009 2.268 0.889 0.916 0.905 0.714 CB 1.828 22 residues pruned to eliminate duplicates Z: 10 32.694 2.361 0.787 0.905 1.000 0.889 CA 1.839 10 residues pruned to eliminate duplicates Z: 22 45.193 2.329 0.588 0.898 1.000 0.905 CB 1.908 22 residues pruned to eliminate duplicates Z: 6 10.874 2.193 0.154 0.789 1.000 0.600 CA 1.490 6 residues pruned to eliminate duplicates Z: 43 47.858 2.316 0.984 0.581 0.905 0.714 CB 1.643 43 residues pruned to eliminate duplicates Z: 20 15.139 1.961 0.565 0.587 0.842 0.684 CB 1.237 20 residues pruned to eliminate duplicates Z: 62 39.460 2.165 0.598 0.552 0.918 0.705 CB 1.512 69 residues pruned to eliminate duplicates Z: 23 89.543 2.577 1.426 0.929 1.000 0.773 CA 2.137 23 residues pruned to eliminate duplicates Z: 102 82.770 2.329 0.903 0.619 0.960 0.703 CB 1.729 102 residues pruned to eliminate duplicates Z: 9 16.124 1.993 0.575 0.805 0.875 0.750 CA 1.589 9 residues pruned to eliminate duplicates Z: 7 11.520 2.156 0.276 0.828 0.833 0.667 CA 1.545 7 residues pruned to eliminate duplicates Z: 10 24.066 2.064 1.030 0.907 1.000 1.000 CB 1.361 10 residues pruned to eliminate duplicates Z: 65 70.979 2.417 0.838 0.662 0.938 0.719 CB 1.834 66 residues pruned to eliminate duplicates Z: 35 41.937 2.430 0.828 0.522 0.912 0.559 CB 1.738 35 residues pruned to eliminate duplicates Z: 31 24.756 1.913 0.849 0.616 0.900 0.533 CB 1.273 29 residues pruned to eliminate duplicates Z: 109 75.743 2.346 0.869 0.554 0.917 0.602 CB 1.719 109 residues pruned to eliminate duplicates Z: 10 24.146 2.195 0.910 0.677 1.000 0.889 CB 1.632 10 residues pruned to eliminate duplicates Z: 36 37.396 2.238 0.790 0.524 0.943 0.543 CB 1.635 36 residues pruned to eliminate duplicates Z: 23 73.943 2.497 1.222 0.899 1.000 0.682 C 2.031 23 residues pruned to eliminate duplicates Z: 21 23.510 2.160 0.861 0.490 0.900 0.550 CB 1.468 21 residues pruned to eliminate duplicates Z: 133 88.634 2.322 0.966 0.565 0.924 0.652 CB 1.716 133 residues pruned to eliminate duplicates Z: 32 26.831 2.084 0.831 0.602 0.903 0.710 CB 1.268 32 residues pruned to eliminate duplicates Z: 18 27.900 2.092 0.373 0.913 1.000 0.882 CB 1.667 18 residues pruned to eliminate duplicates Z: 23 44.048 2.281 0.723 0.922 0.909 0.773 CB 1.848 23 residues pruned to eliminate duplicates Z: 77 48.688 2.328 0.663 0.510 0.908 0.671 CB 1.573 77 residues pruned to eliminate duplicates Z: 18 16.231 1.845 0.266 0.908 1.000 0.882 CB 1.196 18 residues pruned to eliminate duplicates Z: 22 63.491 2.399 1.225 0.915 0.952 0.810 CA 1.926 22 residues pruned to eliminate duplicates Z: 71 54.054 2.320 0.661 0.527 0.929 0.671 CB 1.758 71 residues pruned to eliminate duplicates Z: 19 17.024 1.799 0.339 0.912 1.000 0.944 CB 1.180 19 residues pruned to eliminate duplicates Z: 64 62.155 2.322 0.942 0.610 0.889 0.794 CB 1.760 64 residues pruned to eliminate duplicates Z: 45 42.678 2.396 0.797 0.534 0.864 0.636 CB 1.674 45 residues pruned to eliminate duplicates Z: 41 61.886 2.400 1.017 0.695 0.875 0.625 CB 1.933 41 residues pruned to eliminate duplicates Z: 34 30.624 2.239 0.636 0.512 0.879 0.485 CB 1.638 34 residues pruned to eliminate duplicates Z: 18 24.901 2.169 0.277 0.875 0.941 0.882 CB 1.684 18 residues pruned to eliminate duplicates Z: 10 27.315 2.383 0.394 0.881 1.000 0.889 CA 1.985 10 residues pruned to eliminate duplicates Z: 35 29.947 2.204 0.805 0.524 0.882 0.588 CB 1.428 35 residues pruned to eliminate duplicates Z: 58 45.868 2.144 0.910 0.610 0.912 0.702 CB 1.465 58 residues pruned to eliminate duplicates Z: 23 86.688 2.584 1.421 0.936 1.000 0.955 CB 2.057 23 residues pruned to eliminate duplicates Z: 43 48.391 2.443 0.822 0.492 0.929 0.619 CB 1.822 48 residues pruned to eliminate duplicates Z: 18 14.318 1.776 0.136 0.924 1.000 0.941 CB 1.208 18 residues pruned to eliminate duplicates Z: 69 52.484 2.352 0.724 0.551 0.897 0.662 CB 1.665 69 residues pruned to eliminate duplicates Z: 12 27.123 2.388 0.633 0.771 0.909 0.818 CB 1.815 12 residues pruned to eliminate duplicates Z: 13 30.123 2.149 0.788 0.913 1.000 0.833 CA 1.601 13 residues pruned to eliminate duplicates Z: 14 19.935 1.915 0.575 0.937 0.923 0.846 CB 1.382 14 residues pruned to eliminate duplicates Z: 50 49.268 2.275 0.780 0.676 0.898 0.735 CB 1.646 50 residues pruned to eliminate duplicates Z: 38 31.085 2.204 0.689 0.521 0.865 0.676 CB 1.555 38 residues pruned to eliminate duplicates Z: 18 27.249 2.248 0.912 0.550 0.941 0.765 CB 1.556 18 residues pruned to eliminate duplicates Z: 21 54.658 2.456 0.856 0.947 1.000 0.850 CB 1.853 21 residues pruned to eliminate duplicates Z: 41 32.409 2.206 0.583 0.527 0.925 0.650 CB 1.544 41 residues pruned to eliminate duplicates Z: 44 38.335 2.266 0.489 0.575 0.953 0.721 CB 1.690 44 residues pruned to eliminate duplicates Z: 6 10.728 1.842 0.809 0.684 0.800 0.800 CA 1.519 6 residues pruned to eliminate duplicates Z: 23 55.385 2.286 1.079 0.918 0.955 0.682 CB 1.836 23 residues pruned to eliminate duplicates Z: 32 32.980 2.200 0.730 0.529 0.935 0.742 CB 1.617 32 residues pruned to eliminate duplicates Z: 22 50.276 2.341 0.804 0.936 1.000 0.905 CB 1.809 22 residues pruned to eliminate duplicates Z: 64 79.557 2.401 1.034 0.662 0.952 0.619 CB 1.854 64 residues pruned to eliminate duplicates Z: 94 61.519 2.345 0.789 0.558 0.903 0.677 CB 1.591 94 residues pruned to eliminate duplicates Z: 16 14.878 1.892 0.228 0.897 1.000 0.933 CB 1.184 16 residues pruned to eliminate duplicates Z: 22 47.169 2.260 0.835 0.910 1.000 0.952 CB 1.760 22 residues pruned to eliminate duplicates Z: 34 41.953 2.429 0.771 0.547 0.879 0.667 CB 1.846 34 residues pruned to eliminate duplicates Z: 18 36.463 2.182 0.733 0.890 1.000 0.824 CB 1.683 18 residues pruned to eliminate duplicates Z: 21 52.690 2.402 0.698 0.945 1.000 0.900 CB 1.999 21 residues pruned to eliminate duplicates Z: 73 41.589 2.085 0.723 0.550 0.917 0.667 CB 1.418 62 residues pruned to eliminate duplicates Z: 24 20.179 1.958 0.711 0.515 0.870 0.609 CB 1.423 24 residues pruned to eliminate duplicates Z: 13 32.334 2.142 0.960 0.906 1.000 0.750 CA 1.582 13 residues pruned to eliminate duplicates Z: 85 76.334 2.472 0.921 0.579 0.940 0.667 CB 1.729 85 residues pruned to eliminate duplicates Z: 15 28.674 2.259 0.835 0.736 0.857 0.714 C 1.745 15 residues pruned to eliminate duplicates Z: 37 19.095 1.980 0.304 0.512 0.861 0.667 CB 1.414 37 residues pruned to eliminate duplicates Z: 17 22.852 1.999 0.382 0.931 1.000 0.938 CB 1.445 17 residues pruned to eliminate duplicates Z: 22 54.804 2.295 1.025 0.910 1.000 0.810 CB 1.825 22 residues pruned to eliminate duplicates Z: 19 33.809 2.023 1.118 0.867 0.944 0.833 CB 1.441 19 residues pruned to eliminate duplicates Z: 6 7.140 1.883 0.095 0.666 1.000 0.400 CA 1.328 6 residues pruned to eliminate duplicates Z: 18 15.773 2.161 0.759 0.424 0.765 0.588 CB 1.424 18 residues pruned to eliminate duplicates Z: 23 50.301 2.208 1.091 0.906 1.000 0.682 CB 1.651 23 residues pruned to eliminate duplicates Z: 7 22.319 2.324 0.799 0.777 1.000 0.833 CB 1.708 7 residues pruned to eliminate duplicates Z: 8 14.126 2.054 0.223 0.894 1.000 0.714 CB 1.523 8 residues pruned to eliminate duplicates Z: 7 5.432 1.745 0.274 0.635 0.833 0.500 CA 1.054 7 residues pruned to eliminate duplicates Z: 22 71.793 2.517 1.225 0.908 0.952 0.810 CB 2.086 22 residues pruned to eliminate duplicates Z: 21 84.549 2.602 1.412 0.926 1.000 0.600 C 2.113 21 residues pruned to eliminate duplicates Z: 109 83.066 2.392 0.887 0.610 0.954 0.694 CB 1.673 104 residues pruned to eliminate duplicates Z: 9 32.438 2.321 0.974 0.876 1.000 0.875 C 1.819 9 residues pruned to eliminate duplicates Z: 18 17.301 1.891 0.377 0.884 1.000 0.765 CB 1.163 18 residues pruned to eliminate duplicates Z: 7 6.156 1.734 0.990 0.379 0.667 0.333 CB 1.243 7 residues pruned to eliminate duplicates Z: 12 21.563 1.911 0.687 0.942 1.000 0.909 CB 1.399 12 residues pruned to eliminate duplicates Z: 43 40.565 2.347 0.774 0.507 0.929 0.548 CB 1.608 43 residues pruned to eliminate duplicates Z: 13 19.558 1.838 0.569 0.895 1.000 0.917 CA 1.404 13 residues pruned to eliminate duplicates Z: 60 76.530 2.361 1.035 0.676 0.983 0.780 CB 1.793 60 residues pruned to eliminate duplicates Z: 38 45.409 2.209 0.725 0.719 0.973 0.757 CB 1.651 38 residues pruned to eliminate duplicates Z: 21 51.561 2.410 0.668 0.928 1.000 0.950 CB 2.009 21 residues pruned to eliminate duplicates Z: 57 47.850 2.341 0.792 0.542 0.857 0.625 CB 1.707 57 residues pruned to eliminate duplicates Z: 63 75.834 2.509 0.926 0.648 0.935 0.742 CB 1.856 63 residues pruned to eliminate duplicates Z: 18 20.071 1.873 0.538 0.893 0.941 0.706 CB 1.288 18 residues pruned to eliminate duplicates Z: 7 10.051 1.580 0.554 0.839 1.000 0.667 CA 1.248 7 residues pruned to eliminate duplicates Z: 21 23.514 2.080 0.655 0.709 0.900 0.850 CB 1.403 21 residues pruned to eliminate duplicates Z: 7 23.875 2.345 0.748 0.861 1.000 0.667 CB 1.748 7 residues pruned to eliminate duplicates Z: 153 98.623 2.402 0.811 0.604 0.941 0.737 CB 1.770 153 residues pruned to eliminate duplicates Z: 7 11.124 1.844 0.454 0.776 1.000 0.833 CA 1.327 7 residues pruned to eliminate duplicates Z: 11 17.947 1.907 0.483 0.925 1.000 1.000 CB 1.409 11 residues pruned to eliminate duplicates Z: 65 59.007 2.398 0.867 0.533 0.922 0.656 CB 1.730 65 residues pruned to eliminate duplicates Z: 32 59.840 2.302 0.987 0.803 1.000 0.677 CB 1.804 32 residues pruned to eliminate duplicates Z: 16 16.251 1.921 0.103 0.935 1.000 1.000 CB 1.380 16 residues pruned to eliminate duplicates Z: 13 25.212 2.095 0.452 0.877 1.000 0.833 CA 1.738 13 residues pruned to eliminate duplicates Z: 18 14.248 1.834 0.114 0.937 1.000 1.000 CB 1.177 18 residues pruned to eliminate duplicates Z: 12 19.356 1.891 0.509 0.920 1.000 0.818 CB 1.440 12 residues pruned to eliminate duplicates Z: 128 82.910 2.394 0.718 0.572 0.921 0.693 CB 1.811 128 residues pruned to eliminate duplicates Z: 23 51.259 2.229 1.048 0.927 1.000 0.818 CB 1.677 23 residues pruned to eliminate duplicates Z: 31 40.474 2.324 0.823 0.534 0.900 0.567 CB 1.875 31 residues pruned to eliminate duplicates Z: 23 53.078 2.232 1.205 0.904 0.955 0.727 CB 1.715 23 residues pruned to eliminate duplicates Z: 23 58.508 2.487 0.747 0.918 1.000 0.818 CB 2.024 23 residues pruned to eliminate duplicates Z: 19 31.163 2.174 0.557 0.883 1.000 0.833 CB 1.570 19 residues pruned to eliminate duplicates Z: 52 64.233 2.343 1.125 0.657 0.922 0.784 CB 1.694 52 residues pruned to eliminate duplicates Z: 21 40.456 2.146 0.694 0.945 1.000 0.950 CB 1.722 21 residues pruned to eliminate duplicates Z: 25 20.911 1.903 0.592 0.584 0.958 0.708 CB 1.357 25 residues pruned to eliminate duplicates Z: 14 18.812 2.248 0.562 0.540 0.846 0.769 CB 1.688 14 residues pruned to eliminate duplicates Z: 22 69.476 2.400 1.280 0.920 1.000 0.762 CA 1.952 22 residues pruned to eliminate duplicates Z: 7 9.019 1.659 0.707 0.848 1.000 0.833 CB 0.964 Z: 18 34.710 2.100 0.718 0.929 1.000 0.824 CB 1.633 18 residues pruned to eliminate duplicates Z: 21 52.634 2.381 0.780 0.935 1.000 0.900 CB 1.935 21 residues pruned to eliminate duplicates Z: 16 10.601 1.737 0.621 0.529 0.800 0.733 CB 1.181 23 residues pruned to eliminate duplicates Z: 14 16.928 2.219 0.676 0.569 0.769 0.615 CB 1.537 14 residues pruned to eliminate duplicates Z: 46 35.204 2.338 0.667 0.488 0.889 0.600 CB 1.533 46 residues pruned to eliminate duplicates Z: 9 23.733 1.995 0.867 0.855 1.000 0.625 C 1.662 9 residues pruned to eliminate duplicates Z: 38 34.322 2.132 0.891 0.582 0.892 0.568 CB 1.450 38 residues pruned to eliminate duplicates Z: 13 30.169 2.292 1.009 0.673 1.000 0.750 CB 1.612 13 residues pruned to eliminate duplicates Z: 66 65.196 2.306 0.974 0.649 0.923 0.738 CB 1.675 66 residues pruned to eliminate duplicates Z: 13 23.000 1.838 0.778 0.921 1.000 0.833 CA 1.430 13 residues pruned to eliminate duplicates Z: 17 14.283 1.940 0.555 0.526 1.000 0.625 CB 1.154 17 residues pruned to eliminate duplicates Z: 23 63.291 2.337 1.142 0.924 1.000 0.864 CB 1.893 23 residues pruned to eliminate duplicates Z: 80 63.511 2.386 0.792 0.579 0.899 0.608 CB 1.723 80 residues pruned to eliminate duplicates Z: 22 60.189 2.288 1.193 0.921 1.000 0.857 CB 1.842 22 residues pruned to eliminate duplicates Z: 19 13.373 1.794 0.122 0.895 1.000 0.889 CB 1.123 19 residues pruned to eliminate duplicates Z: 27 32.901 2.294 0.994 0.564 0.885 0.654 CB 1.498 27 residues pruned to eliminate duplicates Z: 50 52.436 2.334 0.938 0.604 0.939 0.592 CB 1.598 50 residues pruned to eliminate duplicates Z: 6 9.674 2.193 -0.001 0.851 1.000 0.800 CB 1.461 6 residues pruned to eliminate duplicates Z: 6 3.495 1.582 1.110 0.504 1.000 0.400 CB 0.467 Z: 29 34.226 2.296 0.747 0.526 0.964 0.643 CB 1.630 29 residues pruned to eliminate duplicates Z: 27 29.060 2.061 0.931 0.637 0.885 0.769 CB 1.423 27 residues pruned to eliminate duplicates Z: 12 34.980 2.491 0.709 0.761 1.000 0.818 CB 1.966 12 residues pruned to eliminate duplicates Z: 32 35.325 2.374 0.748 0.517 0.871 0.613 CB 1.726 32 residues pruned to eliminate duplicates Z: 12 16.449 2.061 0.748 0.607 0.818 0.636 CB 1.519 12 residues pruned to eliminate duplicates Z: 56 36.374 2.078 0.815 0.526 0.873 0.582 CB 1.453 56 residues pruned to eliminate duplicates Z: 25 26.427 2.109 0.719 0.652 0.875 0.750 CB 1.476 25 residues pruned to eliminate duplicates Z: 12 22.886 1.948 0.717 0.945 1.000 1.000 CB 1.428 12 residues pruned to eliminate duplicates Z: 6 9.252 1.953 0.500 0.759 1.000 1.000 C 1.122 6 residues pruned to eliminate duplicates Z: 24 24.405 2.045 0.793 0.571 0.913 0.696 CB 1.419 24 residues pruned to eliminate duplicates Z: 16 16.703 1.910 0.340 0.894 1.000 0.867 CB 1.209 16 residues pruned to eliminate duplicates Z: 40 36.371 2.360 0.769 0.463 0.846 0.538 CB 1.712 40 residues pruned to eliminate duplicates Z: 35 29.559 2.292 0.654 0.461 0.912 0.588 CB 1.527 35 residues pruned to eliminate duplicates Z: 8 9.593 1.966 0.372 0.660 1.000 0.857 CB 1.159 9 residues pruned to eliminate duplicates Z: 7 4.164 1.539 0.698 0.528 0.500 0.500 C 1.265 Z: 9 12.890 1.909 0.363 0.807 1.000 0.500 CB 1.339 9 residues pruned to eliminate duplicates Z: 70 73.910 2.375 0.989 0.642 0.942 0.667 CB 1.751 70 residues pruned to eliminate duplicates Z: 23 64.762 2.329 1.174 0.934 1.000 0.955 CA 1.901 23 residues pruned to eliminate duplicates Z: 10 34.729 2.395 1.040 0.879 1.000 0.889 CB 1.718 10 residues pruned to eliminate duplicates Z: 25 45.791 2.251 0.676 0.912 0.958 0.833 CB 1.830 25 residues pruned to eliminate duplicates Z: 72 70.860 2.416 0.840 0.632 0.944 0.634 CB 1.771 72 residues pruned to eliminate duplicates Z: 16 16.085 1.880 0.167 0.914 1.000 0.867 CB 1.339 16 residues pruned to eliminate duplicates Z: 33 43.519 2.399 0.788 0.611 0.969 0.688 CB 1.666 33 residues pruned to eliminate duplicates Z: 13 30.393 2.390 0.699 0.790 0.917 0.667 CB 1.827 13 residues pruned to eliminate duplicates Z: 38 37.807 2.146 0.770 0.587 0.946 0.649 CB 1.591 38 residues pruned to eliminate duplicates Z: 7 9.147 1.927 0.661 0.677 0.833 0.833 CA 1.190 7 residues pruned to eliminate duplicates Z: 11 19.829 2.039 0.501 0.928 1.000 1.000 CB 1.435 11 residues pruned to eliminate duplicates Z: 9 10.280 1.712 0.625 0.756 0.875 0.375 CB 1.189 9 residues pruned to eliminate duplicates Z: 22 45.841 2.170 1.083 0.889 0.952 0.667 CB 1.673 22 residues pruned to eliminate duplicates Z: 23 41.504 2.210 0.855 0.901 0.909 0.727 CB 1.694 23 residues pruned to eliminate duplicates Z: 13 30.522 2.338 0.774 0.746 0.917 0.750 C 1.860 13 residues pruned to eliminate duplicates Z: 26 31.829 2.366 0.819 0.602 0.840 0.560 CB 1.598 26 residues pruned to eliminate duplicates Z: 18 36.052 2.349 0.565 0.925 1.000 0.882 CB 1.670 18 residues pruned to eliminate duplicates Z: 40 17.259 1.757 0.626 0.569 0.897 0.436 CB 1.008 40 residues pruned to eliminate duplicates Z: 73 43.896 2.244 0.644 0.466 0.917 0.569 CB 1.583 73 residues pruned to eliminate duplicates Z: 21 60.281 2.479 0.953 0.947 1.000 0.950 CA 1.925 21 residues pruned to eliminate duplicates Z: 44 37.865 2.177 0.709 0.536 0.930 0.605 CB 1.610 44 residues pruned to eliminate duplicates Z: 101 65.480 2.272 0.794 0.586 0.910 0.640 CB 1.626 48 residues pruned to eliminate duplicates Z: 17 30.445 2.305 0.832 0.583 0.938 0.688 CB 1.775 17 residues pruned to eliminate duplicates Z: 6 6.974 1.699 0.640 0.546 1.000 0.800 N 1.070 Z: 71 60.667 2.375 0.772 0.606 0.900 0.657 CB 1.731 71 residues pruned to eliminate duplicates Z: 12 18.983 1.874 0.371 0.928 1.000 0.909 CB 1.560 12 residues pruned to eliminate duplicates Z: 68 57.697 2.370 0.810 0.525 0.925 0.657 CB 1.732 68 residues pruned to eliminate duplicates Z: 68 40.356 2.165 0.566 0.533 0.925 0.642 CB 1.521 68 residues pruned to eliminate duplicates Z: 37 52.754 2.282 0.766 0.773 0.972 0.806 CB 1.762 37 residues pruned to eliminate duplicates Z: 34 48.050 2.444 1.003 0.559 0.939 0.758 CB 1.716 34 residues pruned to eliminate duplicates Z: 85 60.790 2.381 0.837 0.507 0.869 0.655 CB 1.733 85 residues pruned to eliminate duplicates Z: 127 84.724 2.392 0.859 0.567 0.929 0.651 CB 1.713 127 residues pruned to eliminate duplicates Z: 31 29.939 2.275 0.835 0.540 0.800 0.567 CB 1.574 31 residues pruned to eliminate duplicates Z: 19 39.384 2.264 1.035 0.900 0.944 0.444 CB 1.524 19 residues pruned to eliminate duplicates Z: 13 19.709 1.824 0.609 0.925 1.000 0.917 CA 1.361 13 residues pruned to eliminate duplicates Z: 6 2.312 1.281 -0.232 0.815 1.000 0.800 C 0.799 6 residues pruned to eliminate duplicates Z: 7 19.184 1.916 0.989 0.839 1.000 0.833 CA 1.535 7 residues pruned to eliminate duplicates Z: 16 8.662 1.895 0.607 0.329 0.667 0.333 CB 1.329 16 residues pruned to eliminate duplicates Z: 22 53.884 2.261 1.048 0.896 1.000 0.619 CB 1.819 22 residues pruned to eliminate duplicates Z: 40 28.632 2.216 0.763 0.403 0.795 0.615 CB 1.634 40 residues pruned to eliminate duplicates Z: 19 29.918 1.983 0.741 0.919 0.944 0.722 CB 1.524 19 residues pruned to eliminate duplicates Z: 17 34.517 2.201 0.651 0.952 1.000 0.812 CB 1.636 17 residues pruned to eliminate duplicates Z: 28 22.065 2.042 0.735 0.575 0.815 0.741 CB 1.369 28 residues pruned to eliminate duplicates Z: 10 22.312 2.324 0.456 0.808 1.000 0.778 CB 1.680 10 residues pruned to eliminate duplicates Z: 11 12.009 2.002 1.032 0.313 0.900 0.500 CB 1.276 11 residues pruned to eliminate duplicates Z: 29 29.867 2.144 0.824 0.570 0.929 0.786 CB 1.452 29 residues pruned to eliminate duplicates Z: 6 2.030 1.530 -0.166 0.473 0.800 0.600 CA 0.914 6 residues pruned to eliminate duplicates Z: 8 23.112 2.215 0.634 0.894 1.000 0.857 CA 1.731 8 residues pruned to eliminate duplicates Z: 22 39.018 2.541 0.925 0.484 0.952 0.619 CB 1.858 22 residues pruned to eliminate duplicates Z: 13 20.899 1.839 0.672 0.905 1.000 0.917 CA 1.397 13 residues pruned to eliminate duplicates Z: 9 25.931 2.394 0.569 0.874 1.000 1.000 CB 1.777 9 residues pruned to eliminate duplicates Z: 9 14.402 1.841 1.128 0.800 1.000 0.750 CA 0.999 9 residues pruned to eliminate duplicates Z: 37 22.984 1.890 0.720 0.543 0.889 0.639 CB 1.272 37 residues pruned to eliminate duplicates Z: 57 77.395 2.449 1.036 0.660 0.929 0.768 CB 1.926 57 residues pruned to eliminate duplicates Z: 134 99.261 2.394 0.942 0.632 0.955 0.722 CB 1.712 134 residues pruned to eliminate duplicates Z: 20 33.483 1.961 0.973 0.919 1.000 0.632 CB 1.399 20 residues pruned to eliminate duplicates Z: 19 32.599 2.277 0.461 0.918 0.944 0.889 CB 1.724 19 residues pruned to eliminate duplicates Z: 41 31.258 2.297 0.474 0.455 0.950 0.575 CB 1.610 41 residues pruned to eliminate duplicates Z: 61 68.983 2.535 0.845 0.623 0.917 0.600 CB 1.849 61 residues pruned to eliminate duplicates Z: 11 16.591 2.308 0.565 0.608 0.900 0.700 CB 1.458 11 residues pruned to eliminate duplicates Z: 51 63.226 2.441 0.941 0.616 0.920 0.640 CB 1.839 51 residues pruned to eliminate duplicates Z: 8 4.186 1.810 0.198 0.211 0.857 0.714 CA 1.197 Z: 11 16.892 2.127 0.847 0.494 0.800 0.700 CB 1.710 11 residues pruned to eliminate duplicates Z: 30 43.626 2.407 0.842 0.547 0.931 0.552 CB 1.874 30 residues pruned to eliminate duplicates Z: 11 22.586 2.017 0.679 0.929 1.000 1.000 CB 1.476 11 residues pruned to eliminate duplicates Z: 43 41.850 2.386 0.817 0.479 0.881 0.571 CB 1.727 43 residues pruned to eliminate duplicates Z: 67 85.739 2.501 1.106 0.662 0.939 0.758 CB 1.835 67 residues pruned to eliminate duplicates Z: 102 73.626 2.395 0.868 0.568 0.921 0.703 CB 1.665 102 residues pruned to eliminate duplicates Z: 10 32.063 2.390 1.132 0.855 0.889 0.778 CB 1.742 10 residues pruned to eliminate duplicates Z: 17 21.064 1.912 0.562 0.937 1.000 0.625 CB 1.227 17 residues pruned to eliminate duplicates Z: 39 53.236 2.213 0.862 0.736 0.974 0.737 CB 1.742 39 residues pruned to eliminate duplicates Z: 12 24.461 2.433 0.631 0.710 0.818 0.727 CB 1.877 12 residues pruned to eliminate duplicates Z: 19 34.873 2.029 0.872 0.899 1.000 0.722 CB 1.547 19 residues pruned to eliminate duplicates Z: 15 8.010 1.965 0.361 0.317 0.714 0.429 CB 1.371 15 residues pruned to eliminate duplicates Z: 108 81.164 2.419 0.896 0.577 0.897 0.607 CB 1.771 65 residues pruned to eliminate duplicates Z: 11 22.974 2.162 0.600 0.845 0.900 0.800 CA 1.735 11 residues pruned to eliminate duplicates Z: 9 13.878 1.913 0.556 0.620 0.875 0.750 C 1.682 9 residues pruned to eliminate duplicates Z: 25 43.047 2.344 1.014 0.636 1.000 0.750 CB 1.639 25 residues pruned to eliminate duplicates Z: 16 10.079 1.714 0.640 0.539 0.800 0.533 CB 1.113 7 residues pruned to eliminate duplicates Z: 16 9.117 1.766 0.388 0.506 0.933 0.600 CB 1.023 16 residues pruned to eliminate duplicates Z: 12 20.231 1.911 0.563 0.935 1.000 1.000 CB 1.423 12 residues pruned to eliminate duplicates Z: 150 99.680 2.383 0.868 0.599 0.946 0.691 CB 1.765 150 residues pruned to eliminate duplicates Z: 62 75.651 2.412 1.021 0.676 0.951 0.705 CB 1.777 62 residues pruned to eliminate duplicates Z: 27 45.465 2.385 0.865 0.692 1.000 0.808 CB 1.682 27 residues pruned to eliminate duplicates Z: 9 7.862 1.822 0.804 0.456 0.750 0.500 CB 1.180 9 residues pruned to eliminate duplicates Z: 16 13.986 1.844 0.219 0.910 1.000 0.733 CB 1.139 16 residues pruned to eliminate duplicates Z: 11 19.535 2.008 0.497 0.924 1.000 1.000 CB 1.443 11 residues pruned to eliminate duplicates Z: 18 39.716 2.395 0.885 0.636 1.000 0.765 CA 1.878 18 residues pruned to eliminate duplicates Z: 63 79.800 2.439 1.031 0.636 0.952 0.645 CB 1.893 63 residues pruned to eliminate duplicates Z: 10 7.083 1.915 0.305 0.436 0.889 0.778 CB 1.136 10 residues pruned to eliminate duplicates Z: 6 11.021 2.170 0.002 0.870 1.000 0.400 CA 1.654 6 residues pruned to eliminate duplicates Z: 18 16.663 1.861 0.095 0.914 1.000 0.824 CB 1.402 18 residues pruned to eliminate duplicates Z: 19 19.557 1.792 0.751 0.865 0.944 0.833 CB 1.139 19 residues pruned to eliminate duplicates Z: 19 28.758 2.431 0.500 0.453 1.000 0.778 CA 1.949 19 residues pruned to eliminate duplicates Z: 13 19.626 2.234 0.400 0.726 0.917 0.833 CB 1.612 13 residues pruned to eliminate duplicates Z: 18 23.782 1.837 0.636 0.920 1.000 0.765 CB 1.352 18 residues pruned to eliminate duplicates Z: 94 76.736 2.350 0.918 0.630 0.925 0.688 CB 1.689 94 residues pruned to eliminate duplicates Z: 23 51.919 2.218 1.055 0.905 1.000 0.773 CB 1.729 23 residues pruned to eliminate duplicates Z: 24 37.636 2.096 0.816 0.885 0.913 0.565 CB 1.631 24 residues pruned to eliminate duplicates Z: 25 43.280 2.544 0.836 0.572 0.958 0.667 CB 1.841 25 residues pruned to eliminate duplicates Z: 10 19.504 2.024 0.925 0.462 1.000 0.444 C 1.733 Z: 7 8.099 1.573 0.960 0.706 0.833 0.667 CB 1.067 7 residues pruned to eliminate duplicates Z: 6 6.712 1.738 0.165 0.722 1.000 1.000 CA 1.214 6 residues pruned to eliminate duplicates Z: 38 33.469 2.151 0.742 0.573 0.919 0.703 CB 1.489 38 residues pruned to eliminate duplicates Z: 22 54.395 2.249 1.122 0.892 1.000 0.857 CB 1.787 22 residues pruned to eliminate duplicates Z: 18 15.982 2.078 0.538 0.451 0.882 0.647 CB 1.446 18 residues pruned to eliminate duplicates Z: 19 25.703 2.204 0.735 0.515 0.944 0.667 CA 1.652 19 residues pruned to eliminate duplicates Z: 8 5.581 1.561 0.395 0.433 0.857 0.429 N 1.211 8 residues pruned to eliminate duplicates Z: 34 35.145 2.289 0.670 0.493 0.879 0.636 CB 1.834 34 residues pruned to eliminate duplicates Z: 12 21.847 1.924 0.738 0.931 1.000 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 19 27.729 2.358 0.763 0.468 0.889 0.611 CA 1.827 19 residues pruned to eliminate duplicates Z: 17 25.214 1.971 0.562 0.922 1.000 0.812 CB 1.440 17 residues pruned to eliminate duplicates Z: 7 12.507 2.033 0.346 0.810 1.000 1.000 CA 1.424 7 residues pruned to eliminate duplicates Z: 15 38.199 2.500 1.078 0.613 0.929 0.714 CB 1.902 15 residues pruned to eliminate duplicates Z: 69 39.582 2.108 0.592 0.570 0.926 0.676 CB 1.443 69 residues pruned to eliminate duplicates Z: 12 15.222 1.824 0.780 0.634 0.909 0.727 CB 1.372 12 residues pruned to eliminate duplicates Z: 29 41.319 2.485 0.708 0.561 0.964 0.714 CB 1.799 29 residues pruned to eliminate duplicates Z: 23 35.534 2.275 0.893 0.622 1.000 0.864 CB 1.569 23 residues pruned to eliminate duplicates Z: 9 9.354 2.054 0.076 0.631 0.875 0.750 CA 1.511 9 residues pruned to eliminate duplicates Z: 8 7.689 1.789 0.370 0.643 0.857 0.857 CB 1.210 8 residues pruned to eliminate duplicates Z: 10 12.253 2.177 0.369 0.620 0.889 0.778 CA 1.377 10 residues pruned to eliminate duplicates Z: 59 76.916 2.518 0.996 0.651 0.914 0.690 CB 1.911 59 residues pruned to eliminate duplicates Z: 10 17.300 2.141 1.275 0.597 0.778 0.778 CB 1.388 10 residues pruned to eliminate duplicates Z: 20 31.307 2.528 0.697 0.529 0.947 0.632 CB 1.718 20 residues pruned to eliminate duplicates Z: 8 3.896 1.575 0.469 0.277 0.714 0.571 CB 1.147 8 residues pruned to eliminate duplicates Z: 13 12.559 2.021 0.475 0.578 0.917 0.833 CB 1.232 13 residues pruned to eliminate duplicates Z: 19 16.966 2.121 0.836 0.547 0.778 0.500 CB 1.261 19 residues pruned to eliminate duplicates Z: 46 72.087 2.425 1.154 0.634 0.956 0.600 CB 1.899 46 residues pruned to eliminate duplicates Z: 12 26.106 2.240 0.455 0.891 1.000 0.818 CA 1.737 12 residues pruned to eliminate duplicates Z: 18 27.767 2.066 0.337 0.927 1.000 0.882 CB 1.709 18 residues pruned to eliminate duplicates Z: 135 93.627 2.438 0.792 0.597 0.940 0.672 CB 1.794 135 residues pruned to eliminate duplicates Z: 8 9.089 1.848 0.774 0.705 0.857 0.857 CB 1.015 8 residues pruned to eliminate duplicates Z: 51 70.762 2.452 0.908 0.679 0.960 0.720 CB 1.890 51 residues pruned to eliminate duplicates Z: 8 6.302 1.852 0.106 0.420 0.857 0.571 C 1.475 8 residues pruned to eliminate duplicates Z: 50 44.685 2.365 0.687 0.509 0.898 0.694 CB 1.766 50 residues pruned to eliminate duplicates Z: 16 13.738 1.935 0.053 0.928 0.933 0.867 CB 1.306 16 residues pruned to eliminate duplicates Z: 25 28.738 2.234 0.733 0.579 0.917 0.667 CB 1.532 25 residues pruned to eliminate duplicates Z: 23 52.890 2.540 0.750 0.891 0.955 0.818 CB 1.910 23 residues pruned to eliminate duplicates Z: 18 17.671 2.018 0.584 0.650 0.882 0.824 CB 1.322 18 residues pruned to eliminate duplicates Z: 8 8.981 2.031 0.851 0.535 0.714 0.571 CB 1.222 8 residues pruned to eliminate duplicates Z: 22 23.105 1.909 0.650 0.758 0.952 0.667 CB 1.336 22 residues pruned to eliminate duplicates Z: 36 51.581 2.506 0.884 0.537 0.943 0.686 CB 1.888 36 residues pruned to eliminate duplicates Z: 10 14.872 1.927 0.788 0.615 0.889 0.778 CB 1.451 10 residues pruned to eliminate duplicates Z: 10 38.596 2.348 1.184 0.894 1.000 0.889 CA 1.799 10 residues pruned to eliminate duplicates Z: 18 16.291 1.833 0.192 0.921 1.000 0.882 CB 1.273 18 residues pruned to eliminate duplicates Z: 39 26.586 2.133 0.399 0.511 0.947 0.737 CB 1.508 39 residues pruned to eliminate duplicates Z: 20 24.489 2.091 0.705 0.504 1.000 0.684 CA 1.569 20 residues pruned to eliminate duplicates Z: 19 38.072 2.262 0.894 0.909 1.000 0.833 CB 1.486 19 residues pruned to eliminate duplicates Z: 14 21.085 2.144 0.549 0.556 1.000 0.538 CB 1.668 14 residues pruned to eliminate duplicates Z: 24 18.053 1.914 0.804 0.570 0.826 0.739 CB 1.233 24 residues pruned to eliminate duplicates Z: 23 72.816 2.592 1.092 0.909 1.000 0.864 CB 2.033 23 residues pruned to eliminate duplicates Z: 39 67.740 2.436 1.117 0.709 0.974 0.632 CB 1.811 39 residues pruned to eliminate duplicates Z: 63 69.783 2.343 0.954 0.622 0.968 0.661 CB 1.783 68 residues pruned to eliminate duplicates Z: 9 21.943 2.315 0.591 0.833 0.875 0.750 CA 1.807 9 residues pruned to eliminate duplicates Z: 7 15.967 2.151 0.670 0.760 1.000 1.000 CB 1.440 7 residues pruned to eliminate duplicates Z: 60 54.619 2.371 0.651 0.587 0.932 0.729 CB 1.793 60 residues pruned to eliminate duplicates Z: 30 55.749 2.490 1.003 0.613 0.966 0.724 CB 1.931 30 residues pruned to eliminate duplicates Z: 9 14.929 2.080 0.473 0.747 0.875 0.750 CA 1.580 9 residues pruned to eliminate duplicates Z: 10 17.356 2.083 0.506 0.623 1.000 0.667 CA 1.643 10 residues pruned to eliminate duplicates Z: 22 55.384 2.268 1.165 0.922 1.000 0.667 CB 1.731 22 residues pruned to eliminate duplicates Z: 62 54.965 2.465 0.700 0.507 0.934 0.607 CB 1.785 62 residues pruned to eliminate duplicates Z: 40 30.858 2.079 0.622 0.630 0.897 0.692 CB 1.445 40 residues pruned to eliminate duplicates Z: 15 11.579 1.950 0.424 0.371 0.929 0.714 CB 1.377 15 residues pruned to eliminate duplicates Z: 27 45.561 2.459 0.991 0.556 0.923 0.654 CB 1.873 27 residues pruned to eliminate duplicates Z: 10 37.001 2.249 1.336 0.903 1.000 1.000 CB 1.674 10 residues pruned to eliminate duplicates Z: 37 58.213 2.257 1.087 0.732 0.972 0.778 CB 1.719 37 residues pruned to eliminate duplicates Z: 61 41.593 2.230 0.500 0.542 0.950 0.667 CB 1.621 61 residues pruned to eliminate duplicates Z: 25 68.571 2.496 1.177 0.762 1.000 0.750 CA 2.041 24 residues pruned to eliminate duplicates Z: 39 22.034 1.967 0.401 0.608 0.947 0.763 CB 1.236 39 residues pruned to eliminate duplicates Z: 11 18.076 1.988 0.540 0.913 1.000 1.000 CB 1.322 11 residues pruned to eliminate duplicates Z: 19 24.156 1.804 0.913 0.876 1.000 0.722 CB 1.199 19 residues pruned to eliminate duplicates Z: 18 28.110 2.052 0.971 0.679 0.941 0.824 CB 1.519 18 residues pruned to eliminate duplicates Z: 18 21.435 2.225 0.493 0.444 0.941 0.588 CB 1.761 18 residues pruned to eliminate duplicates Z: 35 29.381 2.231 0.552 0.544 0.882 0.676 CB 1.580 35 residues pruned to eliminate duplicates Z: 13 20.497 1.813 0.726 0.902 1.000 0.833 CA 1.349 13 residues pruned to eliminate duplicates Z: 11 16.897 2.186 0.766 0.406 0.900 0.600 CA 1.699 11 residues pruned to eliminate duplicates Z: 7 6.324 1.610 0.404 0.503 1.000 0.667 CA 1.139 7 residues pruned to eliminate duplicates Z: 15 16.640 2.035 0.621 0.505 0.857 0.714 CB 1.566 15 residues pruned to eliminate duplicates Z: 6 4.433 1.938 0.187 0.407 1.000 0.800 CB 0.950 6 residues pruned to eliminate duplicates Z: 9 33.087 2.363 0.840 0.923 1.000 0.875 CB 1.890 9 residues pruned to eliminate duplicates Z: 26 38.317 2.493 0.693 0.534 0.960 0.840 CB 1.829 26 residues pruned to eliminate duplicates Z: 37 27.633 2.104 0.421 0.556 0.917 0.722 CB 1.592 37 residues pruned to eliminate duplicates Z: 23 44.186 2.127 0.914 0.890 1.000 0.773 CB 1.665 23 residues pruned to eliminate duplicates Z: 30 52.798 2.334 0.994 0.702 1.000 0.724 CB 1.753 30 residues pruned to eliminate duplicates Z: 28 43.332 2.454 0.896 0.519 0.926 0.519 CB 1.899 28 residues pruned to eliminate duplicates Z: 21 30.002 2.260 0.743 0.589 0.900 0.550 CA 1.738 21 residues pruned to eliminate duplicates Z: 16 11.666 1.936 0.512 0.307 0.867 0.533 CA 1.472 16 residues pruned to eliminate duplicates Z: 10 5.609 1.764 0.201 0.331 0.778 0.556 CB 1.366 10 residues pruned to eliminate duplicates Z: 6 10.713 2.113 0.250 0.829 1.000 0.800 CA 1.365 6 residues pruned to eliminate duplicates Z: 12 18.734 1.938 0.410 0.927 1.000 1.000 CB 1.449 12 residues pruned to eliminate duplicates Z: 6 5.674 1.548 0.600 0.489 0.800 0.600 C 1.295 6 residues pruned to eliminate duplicates Z: 11 4.550 1.722 0.414 0.373 0.700 0.600 CB 0.967 11 residues pruned to eliminate duplicates Z: 31 61.048 2.338 0.891 0.825 1.000 0.833 CB 1.903 31 residues pruned to eliminate duplicates Z: 10 15.952 1.860 0.841 0.463 1.000 0.667 CA 1.613 10 residues pruned to eliminate duplicates Z: 24 32.635 2.134 0.904 0.664 0.913 0.783 CB 1.576 24 residues pruned to eliminate duplicates 6 1.264 1.188 0.241 0.300 0.800 0.400 C 0.599 ? Z: 35 38.871 2.414 0.799 0.500 0.882 0.618 CB 1.740 35 residues pruned to eliminate duplicates Z: 29 59.426 2.546 1.146 0.609 0.964 0.679 CB 1.921 29 residues pruned to eliminate duplicates Z: 48 59.942 2.283 0.942 0.663 0.979 0.766 CB 1.733 48 residues pruned to eliminate duplicates Z: 21 84.251 2.594 1.411 0.920 1.000 0.700 C 2.120 21 residues pruned to eliminate duplicates Z: 6 2.960 1.781 -0.027 0.339 0.800 0.800 CA 1.139 6 residues pruned to eliminate duplicates Z: 23 81.890 2.584 1.403 0.912 0.955 0.682 CB 2.087 23 residues pruned to eliminate duplicates Z: 7 2.953 1.288 0.584 0.550 0.667 0.667 N 0.844 Z: 13 11.922 2.236 0.317 0.415 0.833 0.667 CB 1.532 13 residues pruned to eliminate duplicates Z: 105 78.488 2.346 0.838 0.599 0.933 0.702 CB 1.741 105 residues pruned to eliminate duplicates Z: 9 15.122 2.156 0.455 0.773 0.875 0.625 CB 1.531 9 residues pruned to eliminate duplicates Z: 37 31.444 2.121 0.691 0.565 0.861 0.722 CB 1.593 37 residues pruned to eliminate duplicates Z: 12 13.561 2.221 0.670 0.338 0.909 0.727 CB 1.447 12 residues pruned to eliminate duplicates Z: 47 63.845 2.319 1.096 0.698 0.913 0.717 CB 1.771 47 residues pruned to eliminate duplicates Z: 21 24.733 2.190 0.608 0.507 0.900 0.600 CB 1.734 21 residues pruned to eliminate duplicates Z: 45 42.635 2.345 0.722 0.475 0.886 0.682 CB 1.841 45 residues pruned to eliminate duplicates Z: 19 29.126 2.314 0.663 0.522 1.000 0.667 CB 1.745 19 residues pruned to eliminate duplicates Z: 18 24.068 1.854 0.690 0.911 1.000 0.882 CB 1.320 18 residues pruned to eliminate duplicates Z: 30 50.470 2.488 0.926 0.587 0.966 0.793 CB 1.864 30 residues pruned to eliminate duplicates Z: 6 3.289 1.356 0.522 0.355 1.000 0.800 N 0.833 Using tripeptides from previous cycle as seeds Z: 6 4.043 1.697 0.745 0.295 0.800 0.600 CA 0.960 6 residues pruned to eliminate duplicates Z: 37 59.521 2.296 0.969 0.784 0.972 0.722 CB 1.758 37 residues pruned to eliminate duplicates Z: 39 52.447 2.233 0.801 0.748 0.974 0.763 CB 1.741 39 residues pruned to eliminate duplicates Z: 39 52.509 2.223 0.826 0.738 1.000 0.711 CB 1.695 39 residues pruned to eliminate duplicates Z: 38 54.817 2.259 0.840 0.752 1.000 0.784 CB 1.731 38 residues pruned to eliminate duplicates Z: 31 59.639 2.363 0.914 0.802 0.967 0.800 CB 1.913 31 residues pruned to eliminate duplicates Z: 32 57.226 2.327 0.904 0.798 0.935 0.903 CB 1.911 32 residues pruned to eliminate duplicates Z: 37 60.598 2.321 0.887 0.787 1.000 0.806 CB 1.791 37 residues pruned to eliminate duplicates Z: 32 55.554 2.306 0.976 0.778 0.903 0.742 CB 1.898 32 residues pruned to eliminate duplicates Z: 37 50.997 2.233 0.790 0.722 0.972 0.722 CA 1.790 37 residues pruned to eliminate duplicates Z: 31 63.142 2.354 0.925 0.826 1.000 0.767 CB 1.918 31 residues pruned to eliminate duplicates Z: 38 54.668 2.269 0.853 0.773 0.973 0.784 CB 1.726 38 residues pruned to eliminate duplicates Z: 31 61.170 2.356 0.938 0.821 0.967 0.767 CB 1.916 31 residues pruned to eliminate duplicates Z: 39 52.197 2.223 0.911 0.759 0.921 0.763 CB 1.719 39 residues pruned to eliminate duplicates Z: 37 60.543 2.307 0.972 0.788 1.000 0.778 CB 1.721 37 residues pruned to eliminate duplicates Z: 45 60.109 2.252 0.871 0.706 1.000 0.682 CB 1.783 220 residues pruned to eliminate duplicates Z: 22 53.186 2.300 0.947 0.910 1.000 0.810 CB 1.837 Z: 24 42.805 2.169 0.995 0.853 0.957 0.783 CB 1.594 24 residues pruned to eliminate duplicates Z: 22 51.139 2.298 0.957 0.917 1.000 0.857 CB 1.751 22 residues pruned to eliminate duplicates Z: 38 51.973 2.264 0.841 0.759 0.973 0.811 CB 1.674 23 residues pruned to eliminate duplicates Z: 23 44.305 2.220 0.866 0.906 0.955 0.682 CB 1.700 23 residues pruned to eliminate duplicates Z: 34 54.191 2.235 0.960 0.755 0.970 0.758 CB 1.770 34 residues pruned to eliminate duplicates Z: 37 61.292 2.319 0.980 0.789 1.000 0.806 CB 1.726 37 residues pruned to eliminate duplicates Z: 21 56.697 2.295 1.149 0.914 1.000 0.950 CB 1.818 21 residues pruned to eliminate duplicates Z: 21 55.938 2.284 1.164 0.912 1.000 0.700 CB 1.793 21 residues pruned to eliminate duplicates Z: 33 56.547 2.250 0.936 0.785 1.000 0.781 CB 1.786 33 residues pruned to eliminate duplicates Z: 31 64.947 2.343 1.065 0.819 1.000 0.800 CB 1.857 31 residues pruned to eliminate duplicates Z: 37 61.774 2.306 0.998 0.792 1.000 0.806 CB 1.730 37 residues pruned to eliminate duplicates Z: 22 59.047 2.305 1.142 0.928 1.000 0.905 CB 1.827 22 residues pruned to eliminate duplicates Z: 22 58.776 2.319 1.109 0.926 1.000 0.810 CB 1.840 22 residues pruned to eliminate duplicates Z: 22 58.431 2.291 1.223 0.919 1.000 0.857 CB 1.764 22 residues pruned to eliminate duplicates Z: 22 59.304 2.291 1.196 0.919 1.000 0.714 CB 1.813 22 residues pruned to eliminate duplicates Z: 23 50.271 2.196 1.135 0.907 0.955 0.727 CB 1.702 23 residues pruned to eliminate duplicates Z: 38 59.218 2.251 0.967 0.769 1.000 0.838 CB 1.733 38 residues pruned to eliminate duplicates Z: 6 3.974 1.568 0.474 0.360 0.800 0.400 CB 1.118 6 residues pruned to eliminate duplicates Z: 16 9.562 1.682 0.495 0.503 0.933 0.667 CB 1.049 16 residues pruned to eliminate duplicates Z: 6 5.156 1.598 0.697 0.373 1.000 0.600 CA 0.974 6 residues pruned to eliminate duplicates Z: 51 50.519 2.277 0.891 0.664 0.880 0.700 CB 1.620 51 residues pruned to eliminate duplicates Z: 65 73.718 2.418 0.874 0.644 0.969 0.641 CB 1.834 65 residues pruned to eliminate duplicates Z: 65 70.917 2.416 0.887 0.637 0.922 0.672 CB 1.855 65 residues pruned to eliminate duplicates Z: 44 44.729 2.271 0.854 0.584 0.907 0.581 CB 1.648 44 residues pruned to eliminate duplicates Z: 51 52.208 2.271 0.805 0.661 0.960 0.700 CB 1.615 51 residues pruned to eliminate duplicates Z: 71 68.655 2.359 0.885 0.664 0.914 0.700 CB 1.735 71 residues pruned to eliminate duplicates Z: 45 53.685 2.311 0.775 0.682 0.955 0.750 CB 1.749 45 residues pruned to eliminate duplicates Z: 64 78.077 2.438 0.918 0.671 0.952 0.714 CB 1.887 64 residues pruned to eliminate duplicates Z: 46 49.438 2.330 0.675 0.663 0.933 0.733 CB 1.739 46 residues pruned to eliminate duplicates Z: 44 55.539 2.333 0.864 0.699 0.930 0.721 CB 1.747 44 residues pruned to eliminate duplicates Z: 65 74.356 2.419 0.912 0.661 0.938 0.750 CB 1.846 65 residues pruned to eliminate duplicates Z: 50 53.497 2.297 0.843 0.684 0.918 0.714 CB 1.660 50 residues pruned to eliminate duplicates Z: 46 54.316 2.318 0.884 0.655 0.911 0.733 CB 1.762 46 residues pruned to eliminate duplicates Z: 50 54.992 2.293 0.888 0.697 0.918 0.816 CB 1.651 45 residues pruned to eliminate duplicates Z: 24 59.628 2.220 1.182 0.920 1.000 0.826 CB 1.807 24 residues pruned to eliminate duplicates Z: 65 78.272 2.417 0.970 0.652 0.969 0.672 CB 1.841 65 residues pruned to eliminate duplicates Z: 113 87.101 2.394 0.904 0.592 0.955 0.625 CB 1.731 113 residues pruned to eliminate duplicates Z: 24 57.787 2.216 1.254 0.898 0.957 0.696 CA 1.804 24 residues pruned to eliminate duplicates Z: 42 62.820 2.319 0.973 0.707 0.976 0.780 CB 1.821 42 residues pruned to eliminate duplicates Z: 80 69.975 2.411 0.847 0.594 0.937 0.709 CB 1.725 85 residues pruned to eliminate duplicates Z: 22 69.308 2.410 1.253 0.922 1.000 0.714 CB 1.958 22 residues pruned to eliminate duplicates Z: 70 72.389 2.391 0.950 0.659 0.913 0.667 CB 1.767 70 residues pruned to eliminate duplicates Z: 51 55.611 2.277 0.927 0.665 0.940 0.680 CB 1.636 51 residues pruned to eliminate duplicates Z: 101 80.390 2.408 0.890 0.592 0.920 0.650 CB 1.759 101 residues pruned to eliminate duplicates Z: 113 83.541 2.388 0.895 0.581 0.938 0.688 CB 1.721 113 residues pruned to eliminate duplicates Z: 52 53.973 2.244 0.944 0.652 0.941 0.725 CB 1.598 52 residues pruned to eliminate duplicates Z: 72 67.620 2.341 0.910 0.650 0.930 0.718 CB 1.680 72 residues pruned to eliminate duplicates Z: 107 83.677 2.415 0.906 0.593 0.906 0.632 CB 1.783 107 residues pruned to eliminate duplicates Z: 43 64.240 2.342 1.090 0.721 0.952 0.738 CB 1.741 43 residues pruned to eliminate duplicates Z: 106 89.112 2.430 0.897 0.611 0.952 0.676 CB 1.782 101 residues pruned to eliminate duplicates Z: 11 14.613 1.994 0.412 0.632 0.900 0.600 C 1.611 11 residues pruned to eliminate duplicates Z: 33 49.725 2.510 0.953 0.521 0.938 0.531 CB 1.874 33 residues pruned to eliminate duplicates Z: 42 65.338 2.337 1.005 0.716 0.976 0.780 CB 1.836 42 residues pruned to eliminate duplicates Z: 15 14.004 2.147 0.538 0.410 0.857 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 92 78.249 2.396 0.929 0.607 0.934 0.681 CB 1.716 92 residues pruned to eliminate duplicates Z: 106 83.552 2.432 0.842 0.597 0.943 0.638 CB 1.759 106 residues pruned to eliminate duplicates Z: 71 69.396 2.344 0.933 0.625 0.929 0.657 CB 1.753 71 residues pruned to eliminate duplicates Z: 45 57.566 2.298 0.909 0.687 0.955 0.705 CB 1.745 45 residues pruned to eliminate duplicates Z: 75 61.109 2.479 0.793 0.489 0.905 0.595 CB 1.785 75 residues pruned to eliminate duplicates Z: 34 46.744 2.424 0.838 0.563 0.939 0.606 CB 1.829 34 residues pruned to eliminate duplicates Z: 34 41.420 2.430 0.791 0.536 0.879 0.545 CB 1.820 34 residues pruned to eliminate duplicates Z: 66 59.142 2.450 0.721 0.501 0.954 0.600 CB 1.824 66 residues pruned to eliminate duplicates Z: 31 44.847 2.547 0.893 0.563 0.900 0.567 CB 1.776 31 residues pruned to eliminate duplicates Z: 108 85.741 2.422 0.909 0.562 0.944 0.607 CB 1.788 108 residues pruned to eliminate duplicates Z: 33 41.616 2.454 0.739 0.543 0.906 0.531 CB 1.823 33 residues pruned to eliminate duplicates Z: 66 52.914 2.440 0.804 0.461 0.877 0.538 CB 1.769 66 residues pruned to eliminate duplicates Z: 63 71.891 2.412 0.911 0.617 0.968 0.661 CB 1.833 63 residues pruned to eliminate duplicates Z: 34 46.091 2.444 0.834 0.530 0.939 0.606 CB 1.851 34 residues pruned to eliminate duplicates Z: 66 78.515 2.390 0.981 0.648 0.985 0.631 CB 1.819 66 residues pruned to eliminate duplicates Z: 71 62.458 2.446 0.897 0.503 0.914 0.500 CB 1.755 71 residues pruned to eliminate duplicates Z: 22 44.591 2.525 0.902 0.571 1.000 0.524 CB 1.891 22 residues pruned to eliminate duplicates Z: 65 76.105 2.432 0.944 0.651 0.953 0.609 CB 1.833 65 residues pruned to eliminate duplicates Z: 34 53.830 2.468 0.943 0.557 0.970 0.545 CB 1.906 34 residues pruned to eliminate duplicates Z: 35 49.288 2.435 0.894 0.543 0.971 0.647 CB 1.810 35 residues pruned to eliminate duplicates Z: 50 49.667 2.482 0.867 0.483 0.878 0.510 CB 1.775 50 residues pruned to eliminate duplicates Z: 34 48.004 2.452 0.861 0.530 0.939 0.576 CB 1.893 34 residues pruned to eliminate duplicates Z: 36 42.073 2.387 0.716 0.535 0.943 0.543 CB 1.778 36 residues pruned to eliminate duplicates Z: 102 81.484 2.406 0.915 0.579 0.921 0.644 CB 1.772 102 residues pruned to eliminate duplicates Z: 34 45.150 2.444 0.832 0.551 0.909 0.606 CB 1.837 34 residues pruned to eliminate duplicates Z: 103 86.030 2.435 0.876 0.610 0.951 0.657 CB 1.766 103 residues pruned to eliminate duplicates Z: 104 83.618 2.418 0.884 0.610 0.942 0.670 CB 1.730 104 residues pruned to eliminate duplicates Z: 29 42.859 2.495 0.934 0.507 0.929 0.679 CB 1.795 29 residues pruned to eliminate duplicates Z: 32 33.737 2.424 0.760 0.429 0.903 0.677 CB 1.693 32 residues pruned to eliminate duplicates Z: 51 46.733 2.428 0.820 0.435 0.920 0.540 CB 1.739 51 residues pruned to eliminate duplicates Z: 38 46.241 2.482 0.821 0.493 0.919 0.703 CB 1.842 38 residues pruned to eliminate duplicates Z: 32 43.057 2.466 0.765 0.537 0.935 0.677 CB 1.831 32 residues pruned to eliminate duplicates Z: 42 45.474 2.471 0.795 0.462 0.927 0.561 CB 1.795 42 residues pruned to eliminate duplicates Z: 34 45.193 2.451 0.819 0.551 0.939 0.606 CB 1.787 34 residues pruned to eliminate duplicates Z: 65 61.988 2.472 0.868 0.522 0.906 0.594 CB 1.813 65 residues pruned to eliminate duplicates Z: 37 37.305 2.266 0.781 0.481 0.917 0.556 CB 1.714 37 residues pruned to eliminate duplicates Z: 44 45.551 2.430 0.745 0.486 0.930 0.605 CB 1.785 44 residues pruned to eliminate duplicates Z: 36 48.970 2.473 0.934 0.535 0.914 0.629 CB 1.829 36 residues pruned to eliminate duplicates Z: 35 40.731 2.438 0.776 0.524 0.912 0.618 CB 1.727 35 residues pruned to eliminate duplicates Z: 67 42.039 2.215 0.546 0.520 0.939 0.591 CB 1.578 67 residues pruned to eliminate duplicates Z: 64 44.464 2.274 0.585 0.555 0.921 0.651 CB 1.600 64 residues pruned to eliminate duplicates Z: 34 40.261 2.427 0.794 0.534 0.879 0.576 CB 1.771 34 residues pruned to eliminate duplicates Z: 29 29.724 2.300 0.938 0.467 0.821 0.464 CB 1.587 29 residues pruned to eliminate duplicates Z: 39 39.928 2.484 0.698 0.482 0.842 0.632 CB 1.857 39 residues pruned to eliminate duplicates Z: 55 42.116 2.366 0.563 0.512 0.926 0.611 CB 1.654 55 residues pruned to eliminate duplicates Z: 44 42.903 2.433 0.598 0.484 0.953 0.535 CB 1.793 44 residues pruned to eliminate duplicates Z: 44 40.885 2.388 0.698 0.480 0.953 0.698 CB 1.645 44 residues pruned to eliminate duplicates Z: 38 45.466 2.500 0.774 0.506 0.919 0.676 CB 1.824 38 residues pruned to eliminate duplicates Z: 92 80.771 2.460 0.859 0.597 0.945 0.659 CB 1.786 92 residues pruned to eliminate duplicates Z: 108 81.830 2.408 0.844 0.567 0.953 0.636 CB 1.751 108 residues pruned to eliminate duplicates Z: 105 79.561 2.405 0.889 0.547 0.933 0.615 CB 1.758 105 residues pruned to eliminate duplicates Z: 36 44.151 2.505 0.770 0.512 0.886 0.686 CB 1.878 36 residues pruned to eliminate duplicates Z: 42 44.212 2.445 0.737 0.482 0.927 0.561 CB 1.787 42 residues pruned to eliminate duplicates Z: 37 40.049 2.352 0.736 0.516 0.917 0.639 CB 1.755 37 residues pruned to eliminate duplicates Z: 67 43.300 2.228 0.618 0.510 0.909 0.682 CB 1.610 67 residues pruned to eliminate duplicates Z: 40 43.619 2.443 0.721 0.507 0.949 0.667 CB 1.739 40 residues pruned to eliminate duplicates Z: 31 42.555 2.476 0.830 0.537 0.933 0.600 CB 1.771 31 residues pruned to eliminate duplicates Z: 37 39.728 2.449 0.697 0.491 0.944 0.667 CB 1.703 37 residues pruned to eliminate duplicates Z: 65 43.730 2.221 0.566 0.568 0.922 0.688 CB 1.596 65 residues pruned to eliminate duplicates Z: 36 45.750 2.520 0.753 0.497 0.943 0.600 CB 1.862 36 residues pruned to eliminate duplicates Z: 44 45.056 2.394 0.722 0.485 0.977 0.651 CB 1.732 44 residues pruned to eliminate duplicates Z: 44 46.436 2.400 0.772 0.483 0.953 0.651 CB 1.777 44 residues pruned to eliminate duplicates Z: 72 42.248 2.200 0.596 0.515 0.901 0.620 CB 1.561 72 residues pruned to eliminate duplicates Z: 67 58.537 2.470 0.806 0.504 0.939 0.621 CB 1.712 67 residues pruned to eliminate duplicates Z: 76 58.090 2.397 0.748 0.521 0.907 0.613 CB 1.728 76 residues pruned to eliminate duplicates Z: 12 12.852 1.981 0.677 0.525 0.818 0.455 CB 1.391 12 residues pruned to eliminate duplicates Z: 44 44.494 2.380 0.849 0.498 0.907 0.628 CB 1.702 44 residues pruned to eliminate duplicates Z: 11 16.700 2.038 0.816 0.538 0.900 0.500 CA 1.527 11 residues pruned to eliminate duplicates Z: 37 24.185 1.916 0.470 0.587 0.944 0.556 CB 1.394 37 residues pruned to eliminate duplicates Z: 34 20.678 1.966 0.352 0.587 0.909 0.606 CB 1.371 34 residues pruned to eliminate duplicates Z: 21 15.129 1.929 0.165 0.715 0.900 0.700 CB 1.377 21 residues pruned to eliminate duplicates Z: 23 16.002 1.901 0.255 0.668 0.909 0.864 CB 1.348 23 residues pruned to eliminate duplicates Z: 25 13.264 1.836 0.190 0.638 0.917 0.625 CB 1.187 25 residues pruned to eliminate duplicates Z: 34 17.790 1.954 0.340 0.581 0.879 0.667 CB 1.245 34 residues pruned to eliminate duplicates Z: 98 54.227 2.244 0.687 0.513 0.907 0.619 CB 1.583 98 residues pruned to eliminate duplicates Z: 26 18.243 1.848 0.377 0.613 0.960 0.560 CB 1.342 26 residues pruned to eliminate duplicates Z: 38 26.359 2.007 0.606 0.559 0.919 0.595 CB 1.382 38 residues pruned to eliminate duplicates Z: 48 32.520 2.006 0.616 0.642 0.936 0.723 CB 1.369 48 residues pruned to eliminate duplicates Z: 29 21.832 1.816 0.551 0.624 0.964 0.500 CB 1.352 29 residues pruned to eliminate duplicates Z: 22 22.358 1.919 0.684 0.696 0.952 0.524 CB 1.325 22 residues pruned to eliminate duplicates Z: 39 29.059 1.961 0.731 0.571 0.947 0.605 CB 1.370 39 residues pruned to eliminate duplicates Z: 37 22.281 1.872 0.568 0.524 0.861 0.472 CB 1.434 37 residues pruned to eliminate duplicates Z: 69 54.142 2.251 0.815 0.568 0.941 0.647 CB 1.599 69 residues pruned to eliminate duplicates Z: 22 25.862 1.937 0.770 0.702 1.000 0.667 CB 1.369 22 residues pruned to eliminate duplicates Z: 35 28.634 1.983 0.788 0.617 0.882 0.588 CB 1.406 35 residues pruned to eliminate duplicates Z: 65 47.473 2.255 0.710 0.561 0.938 0.719 CB 1.548 65 residues pruned to eliminate duplicates Z: 25 22.759 1.913 0.722 0.640 0.917 0.500 CB 1.350 25 residues pruned to eliminate duplicates Z: 23 20.549 1.961 0.715 0.689 0.955 0.500 CB 1.148 23 residues pruned to eliminate duplicates Z: 25 20.389 1.939 0.733 0.633 0.917 0.583 CB 1.193 25 residues pruned to eliminate duplicates Z: 37 24.507 2.006 0.613 0.560 0.889 0.556 CB 1.340 37 residues pruned to eliminate duplicates Z: 6 5.526 1.909 0.048 0.545 0.800 0.600 CA 1.477 6 residues pruned to eliminate duplicates Z: 23 27.705 2.087 0.671 0.633 0.955 0.864 CB 1.567 23 residues pruned to eliminate duplicates Z: 92 74.652 2.293 0.891 0.621 0.923 0.714 CB 1.745 92 residues pruned to eliminate duplicates Z: 25 31.928 2.174 0.872 0.624 0.958 0.750 CB 1.486 25 residues pruned to eliminate duplicates Z: 20 29.995 2.127 0.683 0.729 1.000 0.684 CB 1.564 20 residues pruned to eliminate duplicates Z: 39 39.843 2.254 0.849 0.563 0.921 0.658 CB 1.585 49 residues pruned to eliminate duplicates Z: 26 26.838 2.107 0.720 0.576 0.920 0.760 CB 1.497 26 residues pruned to eliminate duplicates Z: 19 29.294 2.165 0.705 0.663 1.000 0.722 CB 1.609 19 residues pruned to eliminate duplicates Z: 21 28.827 2.122 0.858 0.629 0.900 0.700 CB 1.609 21 residues pruned to eliminate duplicates Z: 51 33.924 2.002 0.729 0.606 0.900 0.680 CB 1.392 51 residues pruned to eliminate duplicates Z: 37 36.992 2.211 0.769 0.544 0.889 0.639 CB 1.699 37 residues pruned to eliminate duplicates Z: 22 23.592 2.104 0.627 0.628 0.905 0.619 CB 1.474 22 residues pruned to eliminate duplicates Z: 38 43.188 2.250 0.997 0.559 0.919 0.703 CB 1.625 38 residues pruned to eliminate duplicates Z: 27 27.362 2.099 0.755 0.558 0.885 0.769 CB 1.556 27 residues pruned to eliminate duplicates Z: 28 30.841 2.134 0.805 0.607 0.889 0.815 CB 1.565 28 residues pruned to eliminate duplicates Z: 38 35.961 2.206 0.831 0.565 0.892 0.676 CB 1.540 38 residues pruned to eliminate duplicates Z: 56 39.052 2.010 0.768 0.639 0.927 0.618 CB 1.402 56 residues pruned to eliminate duplicates Z: 25 28.441 2.131 0.850 0.603 0.917 0.792 CB 1.455 25 residues pruned to eliminate duplicates Z: 27 26.697 2.102 0.786 0.584 0.885 0.808 CB 1.455 27 residues pruned to eliminate duplicates Z: 26 26.165 2.065 0.706 0.554 0.880 0.760 CB 1.602 26 residues pruned to eliminate duplicates Z: 25 27.705 2.178 0.715 0.581 0.917 0.792 CB 1.528 25 residues pruned to eliminate duplicates Z: 25 24.178 2.104 0.636 0.589 0.875 0.708 CB 1.504 25 residues pruned to eliminate duplicates Z: 7 8.610 2.030 0.764 0.266 0.833 0.500 CB 1.537 7 residues pruned to eliminate duplicates Z: 38 41.602 2.269 0.847 0.584 0.919 0.730 CB 1.639 38 residues pruned to eliminate duplicates Z: 28 24.177 2.116 0.701 0.468 0.889 0.519 CB 1.501 28 residues pruned to eliminate duplicates Z: 12 7.617 2.117 0.630 0.222 0.727 0.273 CB 1.268 12 residues pruned to eliminate duplicates Z: 40 35.609 2.207 0.821 0.561 0.872 0.667 CB 1.534 40 residues pruned to eliminate duplicates Z: 20 27.125 2.216 1.060 0.466 0.895 0.632 CB 1.577 20 residues pruned to eliminate duplicates Z: 25 23.858 2.066 0.816 0.397 0.958 0.583 CB 1.510 25 residues pruned to eliminate duplicates Z: 14 26.205 2.266 0.808 0.531 1.000 0.615 CB 1.721 Z: 7 8.906 1.774 1.043 0.517 1.000 1.000 CB 0.987 7 residues pruned to eliminate duplicates Z: 21 23.505 2.170 0.996 0.405 0.850 0.600 CB 1.578 21 residues pruned to eliminate duplicates Z: 21 22.687 2.267 0.738 0.411 0.900 0.550 CB 1.572 22 residues pruned to eliminate duplicates Z: 6 7.532 1.767 0.708 0.448 1.000 0.800 CA 1.177 6 residues pruned to eliminate duplicates Z: 25 16.530 2.065 0.578 0.334 0.875 0.500 CB 1.419 38 residues pruned to eliminate duplicates Z: 38 38.263 2.217 0.874 0.603 0.892 0.649 CB 1.538 38 residues pruned to eliminate duplicates Z: 34 45.885 2.521 1.028 0.559 0.818 0.576 CB 1.803 Z: 9 19.029 2.247 0.759 0.598 0.875 0.625 CA 1.771 9 residues pruned to eliminate duplicates Z: 67 59.873 2.418 0.895 0.524 0.909 0.576 CB 1.727 34 residues pruned to eliminate duplicates Z: 8 26.957 2.278 0.921 0.856 1.000 0.857 C 1.717 8 residues pruned to eliminate duplicates Z: 11 14.248 2.068 0.696 0.603 0.800 0.500 CA 1.457 11 residues pruned to eliminate duplicates Z: 9 18.675 2.011 0.602 0.825 1.000 0.625 C 1.547 11 residues pruned to eliminate duplicates Z: 6 6.649 1.563 0.673 0.458 1.000 0.600 CA 1.187 6 residues pruned to eliminate duplicates Z: 136 73.146 2.270 0.692 0.588 0.919 0.659 CB 1.640 136 residues pruned to eliminate duplicates Z: 97 86.548 2.401 0.933 0.625 0.938 0.688 CB 1.804 97 residues pruned to eliminate duplicates Z: 62 80.277 2.488 0.954 0.659 0.934 0.705 CB 1.952 62 residues pruned to eliminate duplicates Z: 13 17.221 2.050 0.664 0.564 1.000 0.667 CB 1.369 13 residues pruned to eliminate duplicates Z: 45 66.139 2.340 1.006 0.694 0.955 0.682 CB 1.865 45 residues pruned to eliminate duplicates Z: 102 74.646 2.334 0.788 0.589 0.950 0.663 CB 1.720 102 residues pruned to eliminate duplicates Z: 130 75.796 2.269 0.751 0.585 0.938 0.682 CB 1.651 130 residues pruned to eliminate duplicates Z: 128 78.214 2.310 0.759 0.588 0.937 0.630 CB 1.675 128 residues pruned to eliminate duplicates Z: 38 55.854 2.374 0.798 0.706 0.973 0.730 CB 1.833 38 residues pruned to eliminate duplicates Z: 69 71.028 2.360 0.916 0.655 0.941 0.721 CB 1.752 69 residues pruned to eliminate duplicates Z: 96 85.368 2.393 0.883 0.623 0.958 0.642 CB 1.807 96 residues pruned to eliminate duplicates Z: 67 76.067 2.408 0.893 0.645 0.970 0.697 CB 1.850 67 residues pruned to eliminate duplicates Z: 47 66.719 2.360 1.055 0.691 0.957 0.717 CB 1.780 47 residues pruned to eliminate duplicates Z: 42 54.888 2.254 0.960 0.663 0.976 0.659 CB 1.711 42 residues pruned to eliminate duplicates Z: 62 87.936 2.485 1.068 0.675 0.967 0.623 CB 1.928 62 residues pruned to eliminate duplicates Z: 66 81.399 2.398 0.988 0.661 0.985 0.738 CB 1.852 66 residues pruned to eliminate duplicates Z: 50 61.273 2.247 0.991 0.663 0.939 0.714 CB 1.792 50 residues pruned to eliminate duplicates Z: 133 75.398 2.263 0.755 0.590 0.939 0.652 CB 1.614 133 residues pruned to eliminate duplicates Z: 55 86.720 2.508 1.146 0.662 0.963 0.704 CB 1.959 55 residues pruned to eliminate duplicates Z: 55 86.744 2.539 1.098 0.664 0.963 0.722 CB 1.978 55 residues pruned to eliminate duplicates Z: 103 82.560 2.347 0.919 0.609 0.941 0.637 CB 1.739 103 residues pruned to eliminate duplicates Z: 66 75.429 2.362 1.065 0.638 0.938 0.631 CB 1.795 66 residues pruned to eliminate duplicates Z: 141 77.550 2.231 0.811 0.591 0.943 0.707 CB 1.578 141 residues pruned to eliminate duplicates Z: 94 83.515 2.417 0.960 0.598 0.935 0.656 CB 1.780 94 residues pruned to eliminate duplicates Z: 62 86.903 2.475 1.096 0.659 0.934 0.705 CB 1.980 62 residues pruned to eliminate duplicates Z: 127 80.515 2.310 0.815 0.595 0.937 0.706 CB 1.669 127 residues pruned to eliminate duplicates Z: 42 70.638 2.392 1.078 0.707 0.976 0.659 CB 1.884 42 residues pruned to eliminate duplicates Z: 66 76.447 2.379 0.988 0.648 0.969 0.723 CB 1.802 66 residues pruned to eliminate duplicates Z: 97 82.344 2.395 0.896 0.614 0.927 0.656 CB 1.793 97 residues pruned to eliminate duplicates Z: 97 80.353 2.381 1.011 0.595 0.896 0.625 CB 1.745 97 residues pruned to eliminate duplicates Z: 41 56.808 2.275 1.039 0.677 0.950 0.700 CB 1.731 41 residues pruned to eliminate duplicates Z: 30 60.982 2.415 1.180 0.708 0.931 0.724 CB 1.913 30 residues pruned to eliminate duplicates Z: 69 75.473 2.489 1.019 0.557 0.941 0.676 CB 1.831 69 residues pruned to eliminate duplicates Z: 89 61.201 2.421 0.757 0.526 0.909 0.625 CB 1.644 59 residues pruned to eliminate duplicates Z: 14 14.893 2.016 0.674 0.647 0.769 0.385 CB 1.387 14 residues pruned to eliminate duplicates Z: 97 70.073 2.443 0.811 0.537 0.927 0.625 CB 1.681 97 residues pruned to eliminate duplicates Z: 13 34.630 2.466 0.755 0.804 0.917 0.833 CA 1.933 13 residues pruned to eliminate duplicates Z: 84 69.543 2.337 0.982 0.599 0.916 0.614 CB 1.638 82 residues pruned to eliminate duplicates Z: 14 31.384 2.268 0.672 0.808 1.000 0.846 CB 1.755 14 residues pruned to eliminate duplicates Z: 68 58.999 2.396 0.841 0.516 0.955 0.672 CB 1.684 68 residues pruned to eliminate duplicates Z: 103 62.769 2.362 0.716 0.513 0.912 0.637 CB 1.660 101 residues pruned to eliminate duplicates Z: 9 23.276 2.492 0.769 0.825 0.875 0.750 CB 1.610 9 residues pruned to eliminate duplicates Z: 47 44.503 2.476 0.795 0.459 0.913 0.543 CB 1.686 47 residues pruned to eliminate duplicates Z: 67 49.853 2.441 0.677 0.486 0.924 0.606 CB 1.645 67 residues pruned to eliminate duplicates Z: 34 49.243 2.529 1.010 0.539 0.879 0.697 CB 1.846 34 residues pruned to eliminate duplicates Z: 66 70.232 2.353 1.038 0.643 0.908 0.708 CB 1.751 66 residues pruned to eliminate duplicates Z: 76 60.696 2.461 0.831 0.493 0.947 0.600 CB 1.654 76 residues pruned to eliminate duplicates Z: 31 50.474 2.615 0.897 0.554 0.967 0.667 CB 1.822 31 residues pruned to eliminate duplicates Z: 97 62.357 2.420 0.717 0.525 0.896 0.604 CB 1.668 97 residues pruned to eliminate duplicates Z: 45 47.422 2.475 0.789 0.478 0.909 0.614 CB 1.817 45 residues pruned to eliminate duplicates Z: 60 48.519 2.428 0.751 0.498 0.898 0.627 CB 1.657 60 residues pruned to eliminate duplicates Z: 87 59.450 2.381 0.726 0.491 0.930 0.640 CB 1.692 88 residues pruned to eliminate duplicates Z: 6 5.817 1.746 0.186 0.403 1.000 0.000 N 1.391 6 residues pruned to eliminate duplicates Z: 68 62.071 2.422 0.837 0.540 0.940 0.627 CB 1.743 68 residues pruned to eliminate duplicates Z: 98 71.273 2.448 0.800 0.540 0.918 0.691 CB 1.721 97 residues pruned to eliminate duplicates Z: 6 3.361 1.798 0.209 0.326 1.000 0.600 CB 0.837 6 residues pruned to eliminate duplicates Z: 130 85.111 2.375 0.844 0.587 0.915 0.667 CB 1.721 130 residues pruned to eliminate duplicates Z: 99 71.154 2.432 0.761 0.543 0.929 0.643 CB 1.732 99 residues pruned to eliminate duplicates Z: 6 5.602 2.026 0.470 0.556 0.800 0.600 CB 0.996 6 residues pruned to eliminate duplicates Z: 74 51.935 2.348 0.726 0.501 0.932 0.644 CB 1.608 74 residues pruned to eliminate duplicates Z: 6 7.235 1.899 0.585 0.459 0.800 0.800 CA 1.401 6 residues pruned to eliminate duplicates Z: 88 64.987 2.423 0.752 0.509 0.943 0.667 CB 1.725 88 residues pruned to eliminate duplicates Z: 98 66.698 2.431 0.714 0.516 0.928 0.619 CB 1.725 98 residues pruned to eliminate duplicates Z: 42 38.241 2.256 0.776 0.491 0.927 0.610 CB 1.624 42 residues pruned to eliminate duplicates Z: 66 48.151 2.377 0.571 0.541 0.938 0.692 CB 1.637 66 residues pruned to eliminate duplicates Z: 67 49.833 2.339 0.710 0.525 0.924 0.697 CB 1.619 67 residues pruned to eliminate duplicates Z: 113 80.011 2.378 0.905 0.547 0.938 0.679 CB 1.701 98 residues pruned to eliminate duplicates Z: 10 22.548 2.068 0.972 0.679 1.000 0.667 CA 1.564 10 residues pruned to eliminate duplicates Z: 98 69.514 2.387 0.852 0.540 0.887 0.598 CB 1.731 98 residues pruned to eliminate duplicates Z: 134 86.707 2.386 0.786 0.596 0.947 0.662 CB 1.698 134 residues pruned to eliminate duplicates Z: 99 68.305 2.387 0.766 0.532 0.929 0.663 CB 1.708 99 residues pruned to eliminate duplicates Z: 54 62.959 2.528 0.865 0.558 0.943 0.717 CB 1.838 54 residues pruned to eliminate duplicates Z: 66 63.462 2.433 0.984 0.564 0.862 0.708 CB 1.779 66 residues pruned to eliminate duplicates Z: 96 70.166 2.439 0.814 0.533 0.916 0.663 CB 1.721 96 residues pruned to eliminate duplicates Z: 123 77.673 2.417 0.792 0.539 0.934 0.615 CB 1.673 114 residues pruned to eliminate duplicates Z: 14 20.568 2.092 0.681 0.753 0.846 0.692 CB 1.530 14 residues pruned to eliminate duplicates Z: 55 46.467 2.344 0.703 0.550 0.926 0.667 CB 1.629 55 residues pruned to eliminate duplicates Z: 100 69.679 2.416 0.813 0.536 0.919 0.606 CB 1.679 100 residues pruned to eliminate duplicates Z: 98 72.095 2.433 0.788 0.549 0.918 0.722 CB 1.747 98 residues pruned to eliminate duplicates Z: 99 65.233 2.406 0.693 0.544 0.929 0.714 CB 1.668 99 residues pruned to eliminate duplicates Z: 90 64.526 2.418 0.794 0.515 0.910 0.607 CB 1.707 90 residues pruned to eliminate duplicates Z: 97 62.973 2.381 0.737 0.548 0.917 0.719 CB 1.618 97 residues pruned to eliminate duplicates Z: 6 4.807 1.809 0.714 0.457 1.000 0.600 CB 0.724 6 residues pruned to eliminate duplicates Z: 45 43.884 2.340 0.786 0.547 0.932 0.682 CB 1.623 45 residues pruned to eliminate duplicates Z: 37 36.152 2.279 0.842 0.483 0.889 0.750 CB 1.643 37 residues pruned to eliminate duplicates Z: 58 46.635 2.295 0.700 0.528 1.000 0.684 CB 1.539 58 residues pruned to eliminate duplicates Z: 44 44.770 2.378 0.797 0.532 0.907 0.628 CB 1.707 44 residues pruned to eliminate duplicates Z: 43 45.315 2.398 0.767 0.567 0.929 0.738 CB 1.664 43 residues pruned to eliminate duplicates Z: 56 42.923 2.334 0.808 0.422 0.909 0.618 CB 1.636 56 residues pruned to eliminate duplicates Z: 98 69.264 2.387 0.814 0.513 0.938 0.660 CB 1.709 98 residues pruned to eliminate duplicates Z: 33 36.345 2.417 0.613 0.593 0.906 0.719 CB 1.663 33 residues pruned to eliminate duplicates Z: 33 37.865 2.425 0.593 0.610 0.938 0.719 CB 1.665 33 residues pruned to eliminate duplicates Z: 92 61.506 2.327 0.789 0.572 0.934 0.681 CB 1.547 92 residues pruned to eliminate duplicates Z: 84 71.430 2.484 0.853 0.544 0.928 0.687 CB 1.759 84 residues pruned to eliminate duplicates Z: 38 38.735 2.395 0.710 0.517 0.946 0.622 CB 1.615 38 residues pruned to eliminate duplicates Z: 44 44.928 2.352 0.760 0.551 0.953 0.837 CB 1.652 44 residues pruned to eliminate duplicates Z: 96 63.518 2.385 0.820 0.532 0.884 0.674 CB 1.645 97 residues pruned to eliminate duplicates Z: 20 30.890 2.360 0.395 0.818 1.000 0.947 CB 1.633 20 residues pruned to eliminate duplicates Z: 24 33.821 2.346 0.599 0.694 0.957 0.739 CB 1.647 24 residues pruned to eliminate duplicates Z: 40 41.182 2.367 0.819 0.525 0.923 0.692 CB 1.619 40 residues pruned to eliminate duplicates Z: 97 78.193 2.437 0.901 0.558 0.927 0.635 CB 1.757 97 residues pruned to eliminate duplicates Z: 39 41.064 2.383 0.754 0.536 0.921 0.632 CB 1.669 39 residues pruned to eliminate duplicates Z: 72 59.969 2.381 0.865 0.568 0.915 0.676 CB 1.639 57 residues pruned to eliminate duplicates Z: 19 38.941 2.371 0.689 0.848 1.000 0.778 CB 1.701 19 residues pruned to eliminate duplicates Z: 97 76.446 2.450 0.922 0.554 0.917 0.708 CB 1.714 97 residues pruned to eliminate duplicates Z: 44 48.172 2.356 0.933 0.573 0.930 0.651 CB 1.617 44 residues pruned to eliminate duplicates Z: 65 53.975 2.326 0.844 0.557 0.953 0.562 CB 1.561 65 residues pruned to eliminate duplicates Z: 38 44.228 2.292 0.937 0.596 0.973 0.568 CB 1.535 38 residues pruned to eliminate duplicates Z: 71 62.377 2.383 0.941 0.544 0.914 0.657 CB 1.689 71 residues pruned to eliminate duplicates Z: 89 76.355 2.452 0.966 0.547 0.932 0.659 CB 1.732 89 residues pruned to eliminate duplicates Z: 97 76.075 2.434 0.911 0.568 0.917 0.635 CB 1.706 97 residues pruned to eliminate duplicates Z: 97 81.156 2.441 1.006 0.555 0.927 0.740 CB 1.730 97 residues pruned to eliminate duplicates Z: 77 60.279 2.390 0.844 0.517 0.908 0.618 CB 1.700 77 residues pruned to eliminate duplicates Z: 79 60.369 2.338 0.942 0.519 0.910 0.641 CB 1.623 79 residues pruned to eliminate duplicates Z: 42 40.713 2.313 0.729 0.570 0.951 0.732 CB 1.561 42 residues pruned to eliminate duplicates Z: 99 73.058 2.405 0.910 0.548 0.908 0.633 CB 1.688 99 residues pruned to eliminate duplicates Z: 54 58.062 2.359 1.045 0.569 0.962 0.585 CB 1.608 54 residues pruned to eliminate duplicates Z: 70 62.766 2.399 0.985 0.585 0.913 0.725 CB 1.602 70 residues pruned to eliminate duplicates Z: 138 89.132 2.422 0.932 0.551 0.912 0.664 CB 1.697 138 residues pruned to eliminate duplicates Z: 27 32.098 2.289 0.888 0.573 0.885 0.808 CB 1.535 27 residues pruned to eliminate duplicates Z: 117 86.688 2.447 0.919 0.564 0.940 0.621 CB 1.714 117 residues pruned to eliminate duplicates Z: 32 41.336 2.366 0.899 0.649 0.903 0.613 CB 1.592 32 residues pruned to eliminate duplicates Z: 126 85.413 2.432 0.830 0.556 0.952 0.664 CB 1.708 126 residues pruned to eliminate duplicates Z: 29 34.895 2.293 1.052 0.599 0.857 0.643 CB 1.488 29 residues pruned to eliminate duplicates Z: 27 32.536 2.278 0.733 0.556 0.923 0.538 CB 1.659 27 residues pruned to eliminate duplicates Z: 27 33.653 2.321 0.892 0.591 0.885 0.808 CB 1.558 27 residues pruned to eliminate duplicates Z: 44 40.234 2.278 0.920 0.509 0.884 0.628 CB 1.574 44 residues pruned to eliminate duplicates Z: 75 63.726 2.382 0.858 0.604 0.919 0.662 CB 1.650 75 residues pruned to eliminate duplicates Z: 32 29.279 2.259 0.856 0.463 0.839 0.516 CB 1.553 32 residues pruned to eliminate duplicates Z: 121 84.752 2.414 0.955 0.568 0.917 0.608 CB 1.675 121 residues pruned to eliminate duplicates Z: 124 87.549 2.422 0.938 0.551 0.951 0.634 CB 1.682 124 residues pruned to eliminate duplicates Z: 85 72.218 2.392 0.975 0.571 0.929 0.655 CB 1.676 85 residues pruned to eliminate duplicates Z: 29 37.622 2.356 0.976 0.565 0.893 0.571 CB 1.606 29 residues pruned to eliminate duplicates Z: 29 31.526 2.308 0.888 0.507 0.893 0.607 CB 1.521 29 residues pruned to eliminate duplicates Z: 49 49.636 2.358 0.816 0.623 0.938 0.604 CB 1.589 49 residues pruned to eliminate duplicates Z: 28 34.971 2.322 1.012 0.546 0.889 0.593 CB 1.549 28 residues pruned to eliminate duplicates Z: 30 33.603 2.391 0.837 0.528 0.862 0.517 CB 1.603 30 residues pruned to eliminate duplicates Z: 20 24.299 2.248 0.792 0.579 0.842 0.737 CB 1.523 20 residues pruned to eliminate duplicates Z: 28 29.977 2.286 0.898 0.547 0.852 0.630 CB 1.490 28 residues pruned to eliminate duplicates Z: 121 82.269 2.434 0.922 0.545 0.917 0.667 CB 1.676 121 residues pruned to eliminate duplicates Z: 30 34.451 2.373 0.828 0.512 0.897 0.621 CB 1.626 30 residues pruned to eliminate duplicates Z: 22 23.684 2.328 0.806 0.481 0.810 0.667 CB 1.549 22 residues pruned to eliminate duplicates Z: 100 64.862 2.380 0.853 0.525 0.879 0.667 CB 1.640 100 residues pruned to eliminate duplicates Z: 83 69.922 2.388 1.004 0.573 0.927 0.671 CB 1.623 82 residues pruned to eliminate duplicates Z: 6 8.477 1.735 1.082 0.367 1.000 0.800 CA 1.211 6 residues pruned to eliminate duplicates Z: 16 24.940 2.333 0.927 0.588 0.867 0.733 CB 1.518 17 residues pruned to eliminate duplicates Z: 6 8.277 1.733 0.726 0.405 1.000 1.000 CB 1.367 5 residues pruned to eliminate duplicates Z: 20 29.402 2.293 0.855 0.625 0.789 0.474 CB 1.786 20 residues pruned to eliminate duplicates Z: 59 48.332 2.340 0.770 0.519 0.879 0.655 CB 1.710 59 residues pruned to eliminate duplicates Z: 59 61.949 2.343 0.946 0.569 0.914 0.517 CB 1.827 59 residues pruned to eliminate duplicates Z: 71 74.423 2.361 1.018 0.609 0.943 0.671 CB 1.785 71 residues pruned to eliminate duplicates Z: 22 45.833 2.525 1.009 0.579 0.952 0.619 CB 1.918 22 residues pruned to eliminate duplicates Z: 23 40.682 2.389 0.916 0.520 0.955 0.682 CB 1.945 23 residues pruned to eliminate duplicates Z: 100 85.516 2.386 0.934 0.597 0.939 0.717 CB 1.807 100 residues pruned to eliminate duplicates Z: 59 49.089 2.313 0.802 0.522 0.897 0.638 CB 1.688 59 residues pruned to eliminate duplicates Z: 59 80.731 2.466 1.045 0.634 0.966 0.655 CB 1.920 59 residues pruned to eliminate duplicates Z: 21 44.249 2.539 0.997 0.558 0.950 0.700 CB 1.941 21 residues pruned to eliminate duplicates Z: 94 82.864 2.379 0.888 0.615 0.957 0.645 CB 1.792 94 residues pruned to eliminate duplicates Z: 97 80.836 2.377 0.954 0.579 0.938 0.635 CB 1.755 97 residues pruned to eliminate duplicates Z: 102 81.905 2.340 0.897 0.621 0.950 0.663 CB 1.723 102 residues pruned to eliminate duplicates Z: 23 35.809 2.401 0.936 0.537 0.909 0.636 CB 1.742 23 residues pruned to eliminate duplicates Z: 67 80.609 2.384 1.055 0.646 0.985 0.697 CB 1.795 67 residues pruned to eliminate duplicates Z: 24 36.793 2.460 0.819 0.481 0.913 0.522 CB 1.914 24 residues pruned to eliminate duplicates Z: 56 88.917 2.515 1.129 0.675 0.982 0.691 CB 1.941 56 residues pruned to eliminate duplicates Z: 75 75.389 2.325 1.066 0.623 0.932 0.662 CB 1.742 75 residues pruned to eliminate duplicates Z: 10 15.046 2.142 1.018 0.455 0.889 0.556 CB 1.368 10 residues pruned to eliminate duplicates Z: 9 8.343 1.891 0.329 0.440 0.875 0.375 C 1.428 9 residues pruned to eliminate duplicates Z: 75 71.951 2.353 0.959 0.602 0.932 0.622 CB 1.766 75 residues pruned to eliminate duplicates Z: 106 80.300 2.374 0.869 0.587 0.924 0.638 CB 1.759 106 residues pruned to eliminate duplicates Z: 125 80.977 2.291 0.814 0.601 0.960 0.645 CB 1.656 125 residues pruned to eliminate duplicates Z: 73 38.490 2.106 0.529 0.538 0.944 0.639 CB 1.438 73 residues pruned to eliminate duplicates Z: 65 36.663 2.118 0.521 0.539 0.922 0.656 CB 1.484 65 residues pruned to eliminate duplicates Z: 37 36.948 2.266 0.711 0.503 0.944 0.611 CB 1.677 37 residues pruned to eliminate duplicates Z: 93 76.199 2.365 0.854 0.598 0.946 0.652 CB 1.745 93 residues pruned to eliminate duplicates Z: 67 39.484 2.127 0.556 0.520 0.970 0.682 CB 1.485 67 residues pruned to eliminate duplicates Z: 37 34.640 2.270 0.658 0.501 0.917 0.722 CB 1.671 37 residues pruned to eliminate duplicates Z: 15 11.574 2.189 0.388 0.324 0.857 0.500 CB 1.442 15 residues pruned to eliminate duplicates Z: 37 33.687 2.234 0.697 0.512 0.889 0.583 CB 1.646 37 residues pruned to eliminate duplicates Z: 34 37.760 2.274 0.707 0.551 0.939 0.606 CB 1.714 34 residues pruned to eliminate duplicates Z: 103 85.989 2.333 0.986 0.618 0.941 0.735 CB 1.747 98 residues pruned to eliminate duplicates Z: 6 5.151 1.711 0.336 0.306 1.000 1.000 CA 1.250 6 residues pruned to eliminate duplicates Z: 36 37.474 2.274 0.665 0.527 0.971 0.686 CB 1.677 36 residues pruned to eliminate duplicates Z: 34 38.329 2.280 0.695 0.566 0.939 0.727 CB 1.723 34 residues pruned to eliminate duplicates Z: 99 81.214 2.341 0.928 0.615 0.918 0.622 CB 1.776 104 residues pruned to eliminate duplicates Z: 11 27.380 2.158 1.130 0.862 0.900 0.700 CB 1.536 11 residues pruned to eliminate duplicates Z: 103 85.554 2.365 0.958 0.594 0.941 0.696 CB 1.775 103 residues pruned to eliminate duplicates Z: 37 30.875 2.249 0.627 0.515 0.861 0.639 CB 1.609 37 residues pruned to eliminate duplicates Z: 36 34.193 2.170 0.699 0.523 0.914 0.571 CB 1.677 36 residues pruned to eliminate duplicates Z: 95 51.116 2.216 0.609 0.533 0.936 0.660 CB 1.529 95 residues pruned to eliminate duplicates Z: 34 37.044 2.238 0.838 0.557 0.970 0.667 CB 1.530 34 residues pruned to eliminate duplicates Z: 93 50.946 2.196 0.667 0.526 0.946 0.609 CB 1.496 93 residues pruned to eliminate duplicates Z: 37 34.525 2.185 0.746 0.540 0.917 0.639 CB 1.581 37 residues pruned to eliminate duplicates Z: 36 36.908 2.263 0.674 0.537 0.971 0.714 CB 1.636 36 residues pruned to eliminate duplicates Z: 46 32.535 2.101 0.780 0.517 0.867 0.644 CB 1.471 46 residues pruned to eliminate duplicates Z: 34 36.316 2.259 0.775 0.574 0.879 0.636 CB 1.671 34 residues pruned to eliminate duplicates Z: 41 38.302 2.264 0.757 0.537 0.900 0.725 CB 1.632 41 residues pruned to eliminate duplicates Z: 34 35.043 2.257 0.788 0.545 0.909 0.697 CB 1.590 34 residues pruned to eliminate duplicates Z: 14 12.269 2.088 0.557 0.458 0.846 0.615 CB 1.291 14 residues pruned to eliminate duplicates Z: 99 77.641 2.338 0.912 0.610 0.918 0.643 CB 1.721 99 residues pruned to eliminate duplicates Z: 35 30.246 2.219 0.553 0.533 0.912 0.647 CB 1.597 35 residues pruned to eliminate duplicates Z: 72 39.971 2.079 0.611 0.553 0.944 0.746 CB 1.425 72 residues pruned to eliminate duplicates Z: 112 78.664 2.296 0.926 0.584 0.928 0.667 CB 1.678 112 residues pruned to eliminate duplicates Z: 36 20.407 1.868 0.446 0.576 0.971 0.686 CB 1.222 36 residues pruned to eliminate duplicates Z: 32 17.364 1.950 0.253 0.592 0.935 0.806 CB 1.250 32 residues pruned to eliminate duplicates Z: 64 44.778 2.175 0.654 0.572 0.968 0.698 CB 1.510 64 residues pruned to eliminate duplicates Z: 16 15.814 2.202 0.515 0.447 0.933 0.600 CB 1.386 16 residues pruned to eliminate duplicates Z: 10 22.061 2.161 0.967 0.558 1.000 0.778 CB 1.636 10 residues pruned to eliminate duplicates Z: 32 21.931 1.994 0.497 0.615 0.968 0.742 CB 1.223 32 residues pruned to eliminate duplicates Z: 32 22.865 2.000 0.500 0.603 0.935 0.806 CB 1.327 32 residues pruned to eliminate duplicates Z: 57 42.020 2.216 0.677 0.553 0.929 0.786 CB 1.546 57 residues pruned to eliminate duplicates Z: 66 42.157 2.140 0.619 0.570 0.938 0.738 CB 1.502 66 residues pruned to eliminate duplicates Z: 22 21.253 2.174 0.706 0.436 0.905 0.571 CB 1.476 22 residues pruned to eliminate duplicates Z: 31 24.337 2.001 0.573 0.643 0.967 0.633 CB 1.278 31 residues pruned to eliminate duplicates Z: 34 21.433 1.978 0.472 0.571 0.939 0.758 CB 1.274 34 residues pruned to eliminate duplicates Z: 40 20.416 1.941 0.417 0.576 0.897 0.692 CB 1.231 40 residues pruned to eliminate duplicates Z: 25 22.247 2.071 0.445 0.666 0.958 0.750 CB 1.359 25 residues pruned to eliminate duplicates Z: 35 22.784 1.975 0.519 0.620 0.941 0.706 CB 1.235 35 residues pruned to eliminate duplicates Z: 22 15.662 1.816 0.438 0.716 0.905 0.762 CB 1.190 22 residues pruned to eliminate duplicates Z: 30 16.883 1.821 0.429 0.646 0.931 0.724 CB 1.128 30 residues pruned to eliminate duplicates Z: 43 27.568 2.008 0.557 0.634 0.929 0.595 CB 1.291 43 residues pruned to eliminate duplicates Z: 35 22.761 1.957 0.558 0.629 0.912 0.647 CB 1.244 35 residues pruned to eliminate duplicates Z: 39 23.714 1.971 0.615 0.599 0.895 0.684 CB 1.229 39 residues pruned to eliminate duplicates Z: 40 25.787 1.943 0.719 0.591 0.923 0.564 CB 1.228 40 residues pruned to eliminate duplicates Z: 31 26.905 2.028 0.645 0.626 0.967 0.667 CB 1.353 31 residues pruned to eliminate duplicates Z: 33 24.848 1.980 0.649 0.613 0.906 0.719 CB 1.334 33 residues pruned to eliminate duplicates Z: 23 18.163 1.845 0.635 0.694 0.955 0.636 CB 1.126 23 residues pruned to eliminate duplicates Z: 32 23.242 1.954 0.725 0.615 0.871 0.742 CB 1.276 32 residues pruned to eliminate duplicates Z: 65 43.040 2.166 0.718 0.566 0.922 0.703 CB 1.472 65 residues pruned to eliminate duplicates Z: 40 25.341 1.962 0.664 0.612 0.923 0.641 CB 1.211 40 residues pruned to eliminate duplicates Z: 32 28.095 1.965 0.772 0.612 0.968 0.548 CB 1.347 32 residues pruned to eliminate duplicates Z: 34 25.277 1.913 0.759 0.588 0.939 0.606 CB 1.279 34 residues pruned to eliminate duplicates Z: 35 24.394 1.957 0.656 0.612 0.941 0.647 CB 1.233 35 residues pruned to eliminate duplicates Z: 35 25.190 1.928 0.697 0.600 1.000 0.706 CB 1.201 35 residues pruned to eliminate duplicates Z: 32 20.704 1.845 0.815 0.625 0.968 0.613 CB 1.020 32 residues pruned to eliminate duplicates Z: 9 8.077 1.752 0.483 0.607 0.875 0.750 CB 1.135 8 residues pruned to eliminate duplicates Z: 6 2.748 1.277 0.495 0.399 1.000 1.000 N 0.716 6 residues pruned to eliminate duplicates Z: 85 78.145 2.493 0.906 0.595 0.929 0.690 CB 1.765 85 residues pruned to eliminate duplicates Z: 66 79.665 2.514 0.953 0.672 0.938 0.738 CB 1.829 66 residues pruned to eliminate duplicates Z: 44 70.673 2.465 1.057 0.697 0.953 0.744 CB 1.862 44 residues pruned to eliminate duplicates Z: 129 94.973 2.466 0.829 0.593 0.930 0.711 CB 1.831 129 residues pruned to eliminate duplicates Z: 85 80.168 2.501 0.892 0.597 0.952 0.690 CB 1.770 85 residues pruned to eliminate duplicates Z: 26 77.002 2.543 1.171 0.837 1.000 0.800 CA 2.086 26 residues pruned to eliminate duplicates Z: 66 78.880 2.512 0.932 0.665 0.954 0.738 CB 1.814 66 residues pruned to eliminate duplicates Z: 56 78.758 2.572 0.920 0.637 0.964 0.655 CB 1.962 56 residues pruned to eliminate duplicates Z: 69 72.061 2.474 0.880 0.645 0.926 0.735 CB 1.772 69 residues pruned to eliminate duplicates Z: 48 64.153 2.397 0.935 0.708 0.957 0.745 CB 1.744 48 residues pruned to eliminate duplicates Z: 46 64.283 2.446 0.910 0.681 0.956 0.778 CB 1.818 46 residues pruned to eliminate duplicates Z: 81 78.352 2.520 0.852 0.591 0.950 0.688 CB 1.810 81 residues pruned to eliminate duplicates Z: 71 76.671 2.474 0.949 0.634 0.943 0.700 CB 1.779 71 residues pruned to eliminate duplicates Z: 19 52.672 2.538 0.931 0.823 0.944 0.556 C 2.028 19 residues pruned to eliminate duplicates Z: 48 67.193 2.365 0.999 0.687 1.000 0.723 CB 1.747 48 residues pruned to eliminate duplicates Z: 75 79.155 2.464 1.018 0.625 0.946 0.703 CB 1.739 75 residues pruned to eliminate duplicates Z: 84 82.051 2.503 0.925 0.606 0.928 0.711 CB 1.822 84 residues pruned to eliminate duplicates Z: 23 87.162 2.603 1.508 0.913 0.955 0.727 CB 2.111 23 residues pruned to eliminate duplicates Z: 83 79.056 2.492 0.948 0.598 0.939 0.732 CB 1.744 83 residues pruned to eliminate duplicates Z: 48 69.678 2.410 1.039 0.716 0.957 0.809 CB 1.776 48 residues pruned to eliminate duplicates Z: 131 96.969 2.451 0.849 0.585 0.946 0.738 CB 1.827 136 residues pruned to eliminate duplicates Z: 22 85.708 2.592 1.477 0.914 1.000 0.714 CB 2.060 22 residues pruned to eliminate duplicates Z: 67 83.564 2.511 1.061 0.663 0.924 0.773 CB 1.849 67 residues pruned to eliminate duplicates Z: 67 81.270 2.497 1.070 0.663 0.924 0.818 CB 1.800 67 residues pruned to eliminate duplicates Z: 130 96.338 2.444 0.872 0.593 0.930 0.659 CB 1.823 130 residues pruned to eliminate duplicates Z: 66 79.099 2.512 1.018 0.630 0.908 0.708 CB 1.888 66 residues pruned to eliminate duplicates Z: 50 71.576 2.464 1.103 0.674 0.959 0.694 CB 1.753 46 residues pruned to eliminate duplicates Z: 26 67.847 2.492 1.291 0.778 0.960 0.760 CB 1.937 26 residues pruned to eliminate duplicates Z: 85 80.092 2.490 0.906 0.596 0.940 0.702 CB 1.787 84 residues pruned to eliminate duplicates Z: 11 15.042 2.090 0.286 0.664 0.900 0.600 CB 1.689 11 residues pruned to eliminate duplicates Z: 37 69.121 2.517 1.091 0.725 0.917 0.778 CB 1.949 37 residues pruned to eliminate duplicates Z: 62 86.688 2.568 1.045 0.667 0.951 0.754 CB 1.905 62 residues pruned to eliminate duplicates Z: 69 80.013 2.467 1.063 0.653 0.941 0.721 CB 1.756 69 residues pruned to eliminate duplicates Z: 51 66.784 2.378 1.061 0.668 0.960 0.720 CB 1.719 51 residues pruned to eliminate duplicates Z: 8 21.390 2.261 0.695 0.855 0.857 0.571 CA 1.816 8 residues pruned to eliminate duplicates Z: 107 87.755 2.481 0.862 0.585 0.934 0.679 CB 1.820 107 residues pruned to eliminate duplicates Z: 9 23.956 2.452 0.954 0.661 0.875 0.625 CA 1.739 9 residues pruned to eliminate duplicates Z: 65 90.720 2.540 1.112 0.647 0.969 0.719 CB 1.902 70 residues pruned to eliminate duplicates Z: 15 23.372 2.202 0.600 0.593 0.929 0.500 CA 1.747 15 residues pruned to eliminate duplicates Z: 69 82.043 2.451 1.093 0.643 0.971 0.721 CB 1.748 69 residues pruned to eliminate duplicates Z: 31 34.222 2.453 0.651 0.411 0.933 0.567 CB 1.814 31 residues pruned to eliminate duplicates Z: 69 79.124 2.446 1.085 0.626 0.941 0.721 CB 1.776 64 residues pruned to eliminate duplicates Z: 12 37.284 2.500 0.903 0.759 1.000 0.909 CB 1.877 12 residues pruned to eliminate duplicates Z: 97 68.745 2.418 0.742 0.525 0.906 0.646 CB 1.793 97 residues pruned to eliminate duplicates Z: 80 75.932 2.483 0.886 0.576 0.937 0.684 CB 1.810 80 residues pruned to eliminate duplicates Z: 71 81.089 2.480 1.054 0.639 0.929 0.714 CB 1.800 71 residues pruned to eliminate duplicates Z: 79 83.415 2.551 0.941 0.596 0.923 0.731 CB 1.886 85 residues pruned to eliminate duplicates Z: 9 34.760 2.407 1.422 0.893 0.875 0.875 CB 1.729 9 residues pruned to eliminate duplicates Z: 132 95.843 2.435 0.861 0.567 0.954 0.656 CB 1.816 132 residues pruned to eliminate duplicates Z: 68 80.823 2.480 1.088 0.638 0.925 0.716 CB 1.811 68 residues pruned to eliminate duplicates Z: 134 97.709 2.435 0.896 0.604 0.940 0.692 CB 1.769 134 residues pruned to eliminate duplicates Z: 66 84.641 2.506 1.050 0.665 0.969 0.723 CB 1.810 66 residues pruned to eliminate duplicates Z: 84 81.600 2.478 0.975 0.599 0.916 0.711 CB 1.818 84 residues pruned to eliminate duplicates Z: 85 79.730 2.481 0.914 0.589 0.952 0.738 CB 1.766 85 residues pruned to eliminate duplicates Z: 69 79.812 2.452 0.975 0.654 0.971 0.765 CB 1.783 69 residues pruned to eliminate duplicates Z: 105 91.829 2.481 0.952 0.604 0.913 0.644 CB 1.843 105 residues pruned to eliminate duplicates Z: 8 16.324 2.351 0.800 0.476 0.857 0.429 CB 1.743 8 residues pruned to eliminate duplicates Z: 22 20.847 2.308 0.552 0.402 0.952 0.667 CB 1.477 22 residues pruned to eliminate duplicates Z: 84 76.392 2.449 0.942 0.581 0.916 0.723 CB 1.780 84 residues pruned to eliminate duplicates Z: 22 17.771 2.272 0.591 0.331 0.857 0.571 CB 1.507 22 residues pruned to eliminate duplicates Z: 98 61.383 2.351 0.701 0.500 0.897 0.629 CB 1.737 98 residues pruned to eliminate duplicates Z: 75 54.238 2.339 0.708 0.514 0.905 0.676 CB 1.719 75 residues pruned to eliminate duplicates Z: 72 54.844 2.349 0.620 0.536 0.944 0.676 CB 1.750 72 residues pruned to eliminate duplicates Z: 85 86.417 2.487 1.013 0.601 0.964 0.738 CB 1.773 85 residues pruned to eliminate duplicates Z: 71 48.230 2.301 0.645 0.519 0.886 0.614 CB 1.687 71 residues pruned to eliminate duplicates Z: 88 81.007 2.463 1.035 0.579 0.897 0.690 CB 1.792 88 residues pruned to eliminate duplicates Z: 85 78.940 2.448 0.920 0.601 0.952 0.726 CB 1.748 85 residues pruned to eliminate duplicates Z: 101 77.704 2.359 0.903 0.583 0.910 0.610 CB 1.757 101 residues pruned to eliminate duplicates Z: 65 50.136 2.350 0.588 0.540 0.922 0.703 CB 1.752 65 residues pruned to eliminate duplicates Z: 85 80.863 2.460 1.001 0.594 0.940 0.726 CB 1.743 79 residues pruned to eliminate duplicates Z: 7 8.660 1.912 0.667 0.432 0.833 0.500 CA 1.429 7 residues pruned to eliminate duplicates Z: 30 35.705 2.315 0.888 0.474 0.793 0.621 C 1.964 30 residues pruned to eliminate duplicates Z: 74 51.950 2.311 0.638 0.516 0.918 0.658 CB 1.723 74 residues pruned to eliminate duplicates Z: 72 52.603 2.343 0.620 0.531 0.915 0.648 CB 1.742 72 residues pruned to eliminate duplicates Z: 64 47.154 2.284 0.658 0.501 0.937 0.619 CB 1.673 64 residues pruned to eliminate duplicates Z: 134 91.551 2.426 0.812 0.590 0.925 0.647 CB 1.793 134 residues pruned to eliminate duplicates Z: 41 33.809 2.234 0.776 0.475 0.850 0.575 CB 1.627 41 residues pruned to eliminate duplicates Z: 135 93.259 2.438 0.834 0.596 0.918 0.731 CB 1.791 135 residues pruned to eliminate duplicates Z: 11 33.587 2.217 1.334 0.883 1.000 0.800 CB 1.484 11 residues pruned to eliminate duplicates Z: 55 55.027 2.350 0.746 0.577 0.944 0.741 CB 1.794 55 residues pruned to eliminate duplicates Z: 92 61.446 2.296 0.692 0.553 0.912 0.692 CB 1.726 92 residues pruned to eliminate duplicates Z: 72 53.916 2.331 0.616 0.537 0.930 0.676 CB 1.763 72 residues pruned to eliminate duplicates Z: 96 52.953 2.240 0.616 0.534 0.895 0.674 CB 1.622 96 residues pruned to eliminate duplicates Z: 33 41.407 2.435 0.876 0.491 0.844 0.656 CB 1.916 33 residues pruned to eliminate duplicates Z: 104 91.331 2.489 0.922 0.603 0.913 0.680 CB 1.869 109 residues pruned to eliminate duplicates Z: 8 18.728 2.243 0.867 0.632 0.857 0.571 CA 1.742 8 residues pruned to eliminate duplicates Z: 85 54.859 2.296 0.640 0.552 0.917 0.655 CB 1.648 85 residues pruned to eliminate duplicates Z: 52 47.209 2.427 0.670 0.453 0.941 0.686 CB 1.819 52 residues pruned to eliminate duplicates Z: 99 68.960 2.410 0.645 0.531 0.949 0.684 CB 1.796 99 residues pruned to eliminate duplicates Z: 45 39.749 2.269 0.506 0.557 0.977 0.727 CB 1.698 45 residues pruned to eliminate duplicates Z: 72 57.478 2.347 0.745 0.540 0.944 0.718 CB 1.698 72 residues pruned to eliminate duplicates Z: 134 100.239 2.437 0.914 0.608 0.940 0.737 CB 1.790 134 residues pruned to eliminate duplicates Z: 36 29.218 2.180 0.543 0.527 0.943 0.714 CB 1.516 36 residues pruned to eliminate duplicates Z: 36 26.280 2.131 0.323 0.560 0.971 0.771 CB 1.529 36 residues pruned to eliminate duplicates Z: 55 49.687 2.314 0.695 0.559 0.944 0.722 CB 1.722 55 residues pruned to eliminate duplicates Z: 23 24.538 2.268 0.500 0.500 0.864 0.545 CB 1.781 23 residues pruned to eliminate duplicates Z: 37 32.162 2.182 0.508 0.536 0.972 0.611 CB 1.617 37 residues pruned to eliminate duplicates Z: 44 39.102 2.265 0.610 0.566 0.930 0.698 CB 1.649 44 residues pruned to eliminate duplicates Z: 74 55.156 2.331 0.690 0.530 0.932 0.712 CB 1.709 74 residues pruned to eliminate duplicates Z: 68 52.969 2.310 0.592 0.555 0.985 0.701 CB 1.693 68 residues pruned to eliminate duplicates Z: 35 31.185 2.194 0.521 0.600 0.971 0.794 CB 1.501 35 residues pruned to eliminate duplicates Z: 35 31.796 2.174 0.570 0.561 0.971 0.676 CB 1.551 35 residues pruned to eliminate duplicates Z: 65 59.184 2.380 0.708 0.574 0.953 0.750 CB 1.779 65 residues pruned to eliminate duplicates Z: 35 33.702 2.176 0.561 0.589 0.941 0.735 CB 1.661 35 residues pruned to eliminate duplicates Z: 35 31.872 2.206 0.610 0.599 0.912 0.794 CB 1.535 35 residues pruned to eliminate duplicates Z: 71 56.000 2.348 0.691 0.546 0.900 0.686 CB 1.790 71 residues pruned to eliminate duplicates Z: 35 29.773 2.054 0.615 0.624 0.941 0.735 CB 1.455 35 residues pruned to eliminate duplicates Z: 35 32.060 2.162 0.649 0.591 0.912 0.618 CB 1.551 35 residues pruned to eliminate duplicates Z: 35 30.685 2.170 0.574 0.588 0.941 0.735 CB 1.505 35 residues pruned to eliminate duplicates Z: 71 56.145 2.349 0.622 0.558 0.929 0.714 CB 1.792 71 residues pruned to eliminate duplicates Z: 33 36.378 2.190 0.716 0.615 0.969 0.750 CB 1.585 33 residues pruned to eliminate duplicates Z: 33 36.246 2.201 0.744 0.604 0.938 0.562 CB 1.612 33 residues pruned to eliminate duplicates Z: 70 59.286 2.333 0.819 0.554 0.913 0.696 CB 1.748 70 residues pruned to eliminate duplicates Z: 73 56.048 2.328 0.786 0.547 0.889 0.750 CB 1.707 73 residues pruned to eliminate duplicates Z: 31 41.478 2.266 0.856 0.635 0.967 0.733 CB 1.641 31 residues pruned to eliminate duplicates Z: 34 27.642 2.042 0.856 0.597 0.848 0.636 CB 1.364 34 residues pruned to eliminate duplicates Z: 26 28.468 2.080 0.799 0.690 0.880 0.760 CB 1.452 26 residues pruned to eliminate duplicates Z: 23 27.933 2.151 0.674 0.676 0.909 0.727 CB 1.548 23 residues pruned to eliminate duplicates Z: 34 37.038 2.177 0.749 0.592 0.939 0.727 CB 1.650 34 residues pruned to eliminate duplicates Z: 70 63.111 2.377 0.873 0.562 0.913 0.681 CB 1.759 70 residues pruned to eliminate duplicates Z: 31 40.936 2.258 0.812 0.630 1.000 0.700 CB 1.616 31 residues pruned to eliminate duplicates Z: 37 42.865 2.281 0.837 0.571 0.972 0.667 CB 1.637 37 residues pruned to eliminate duplicates Z: 34 39.231 2.179 0.820 0.608 0.970 0.667 CB 1.604 34 residues pruned to eliminate duplicates Z: 34 36.226 2.171 0.894 0.591 0.939 0.697 CB 1.495 34 residues pruned to eliminate duplicates Z: 27 21.485 1.998 0.843 0.536 0.846 0.692 CB 1.306 27 residues pruned to eliminate duplicates Z: 24 26.542 2.057 0.714 0.560 1.000 0.652 CB 1.482 24 residues pruned to eliminate duplicates Z: 23 25.274 2.048 0.580 0.644 0.955 0.636 CB 1.525 23 residues pruned to eliminate duplicates Z: 39 28.212 2.167 0.670 0.554 0.842 0.684 CB 1.424 39 residues pruned to eliminate duplicates Z: 20 25.431 2.089 0.731 0.647 0.895 0.684 CB 1.572 20 residues pruned to eliminate duplicates Z: 23 26.260 1.969 0.845 0.624 1.000 0.591 CB 1.371 23 residues pruned to eliminate duplicates Z: 21 28.350 2.080 0.799 0.668 1.000 0.800 CB 1.451 21 residues pruned to eliminate duplicates Z: 91 64.083 2.293 0.764 0.563 0.933 0.689 CB 1.683 91 residues pruned to eliminate duplicates Z: 23 25.467 2.010 0.734 0.624 0.909 0.682 CB 1.524 23 residues pruned to eliminate duplicates Z: 22 29.186 2.029 0.790 0.670 0.952 0.714 CB 1.574 22 residues pruned to eliminate duplicates Z: 22 29.887 2.079 0.763 0.657 1.000 0.714 CB 1.537 22 residues pruned to eliminate duplicates Z: 39 31.100 2.105 0.819 0.571 0.842 0.711 CB 1.462 39 residues pruned to eliminate duplicates Z: 39 34.605 2.200 0.764 0.600 0.921 0.684 CB 1.428 39 residues pruned to eliminate duplicates Z: 22 33.131 2.034 0.894 0.686 1.000 0.762 CB 1.582 22 residues pruned to eliminate duplicates Z: 22 32.116 2.025 0.959 0.685 1.000 0.714 CB 1.491 22 residues pruned to eliminate duplicates Z: 90 63.674 2.280 0.910 0.574 0.899 0.652 CB 1.605 90 residues pruned to eliminate duplicates Z: 61 48.108 2.232 0.795 0.579 0.917 0.533 CB 1.568 61 residues pruned to eliminate duplicates Z: 26 23.553 2.041 1.009 0.548 0.760 0.600 CB 1.442 26 residues pruned to eliminate duplicates Z: 31 23.281 1.984 0.948 0.499 0.800 0.700 CB 1.376 31 residues pruned to eliminate duplicates Z: 7 6.391 1.890 0.978 0.331 0.667 0.500 CB 1.259 7 residues pruned to eliminate duplicates Z: 59 46.593 2.135 0.949 0.583 0.931 0.621 CB 1.458 59 residues pruned to eliminate duplicates Z: 37 31.262 2.151 0.741 0.566 0.917 0.694 CB 1.424 37 residues pruned to eliminate duplicates Z: 29 26.651 2.066 0.874 0.568 0.929 0.607 CB 1.312 29 residues pruned to eliminate duplicates Z: 84 57.444 2.207 0.866 0.558 0.952 0.639 CB 1.520 84 residues pruned to eliminate duplicates Z: 37 31.928 2.169 0.889 0.574 0.861 0.639 CB 1.404 37 residues pruned to eliminate duplicates Z: 19 21.744 2.170 0.895 0.573 0.889 0.667 CB 1.306 19 residues pruned to eliminate duplicates Z: 39 28.082 2.131 0.798 0.542 0.842 0.684 CB 1.356 39 residues pruned to eliminate duplicates Z: 41 33.120 2.127 0.769 0.569 0.925 0.700 CB 1.407 41 residues pruned to eliminate duplicates Z: 74 47.047 2.134 0.798 0.564 0.932 0.699 CB 1.448 74 residues pruned to eliminate duplicates Z: 9 21.310 2.137 0.944 0.713 0.875 0.875 CB 1.709 9 residues pruned to eliminate duplicates Z: 32 26.677 2.073 0.817 0.621 0.839 0.677 CB 1.353 32 residues pruned to eliminate duplicates Z: 19 18.046 2.223 1.133 0.526 0.722 0.611 CB 1.211 19 residues pruned to eliminate duplicates Z: 6 6.875 1.654 0.884 0.451 1.000 0.800 CB 1.038 6 residues pruned to eliminate duplicates Z: 38 32.655 2.160 0.908 0.562 0.892 0.676 CB 1.374 38 residues pruned to eliminate duplicates Z: 15 20.872 2.016 0.885 0.649 0.929 0.643 CB 1.375 15 residues pruned to eliminate duplicates Z: 14 19.625 2.116 0.854 0.613 0.846 0.615 CB 1.473 14 residues pruned to eliminate duplicates 640 residues left after pruning, divided into chains as follows: A: 10 B: 154 C: 175 D: 94 E: 40 F: 167 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 38.32 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.516, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.589, Connect. = 0.779 for dens.mod. cycle 2 = 0.300, Contrast = 0.707, Connect. = 0.810 for dens.mod. cycle 3 = 0.300, Contrast = 0.721, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.736, Connect. = 0.816 for dens.mod. cycle 5 = 0.300, Contrast = 0.745, Connect. = 0.818 for dens.mod. cycle 6 = 0.300, Contrast = 0.753, Connect. = 0.819 for dens.mod. cycle 7 = 0.300, Contrast = 0.759, Connect. = 0.821 for dens.mod. cycle 8 = 0.300, Contrast = 0.764, Connect. = 0.821 for dens.mod. cycle 9 = 0.300, Contrast = 0.768, Connect. = 0.822 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4170 peaks > 0.5 sigma used to seed fragment search Space for about 886 unique residues taking solvent into account 867 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 89.055 2.721 1.266 0.932 1.000 0.762 CB 2.200 B: 75 68.180 2.495 0.878 0.512 0.946 0.622 CB 1.767 C: 23 64.901 2.557 0.870 0.907 0.955 0.818 CB 2.154 D: 76 54.316 2.401 0.805 0.472 0.893 0.613 CB 1.667 76 residues pruned to eliminate duplicates E: 23 73.783 2.607 1.139 0.879 0.955 0.864 CA 2.143 23 residues pruned to eliminate duplicates F: 9 19.175 2.050 0.820 0.771 0.875 0.625 C 1.634 9 residues pruned to eliminate duplicates G: 66 60.447 2.463 0.762 0.542 0.923 0.615 CB 1.796 66 residues pruned to eliminate duplicates H: 32 48.194 2.550 0.927 0.592 0.871 0.742 CB 1.852 32 residues pruned to eliminate duplicates I: 22 73.179 2.643 0.885 0.927 1.000 0.857 CB 2.247 23 residues pruned to eliminate duplicates J: 10 31.908 2.229 0.933 0.882 1.000 0.667 C 1.786 K: 7 36.375 2.419 1.471 0.882 1.000 0.667 CB 1.798 L: 23 81.229 2.624 1.269 0.918 0.955 0.727 CB 2.149 23 residues pruned to eliminate duplicates M: 13 33.129 2.504 0.569 0.777 1.000 0.833 CA 1.906 13 residues pruned to eliminate duplicates N: 67 56.364 2.383 0.779 0.541 0.894 0.636 CB 1.759 66 residues pruned to eliminate duplicates O: 10 38.166 2.352 1.177 0.866 1.000 0.778 CB 1.820 7 residues pruned to eliminate duplicates P: 24 56.173 2.525 0.686 0.916 0.957 0.870 CA 2.031 24 residues pruned to eliminate duplicates Q: 22 71.260 2.716 0.864 0.918 1.000 0.810 CB 2.166 22 residues pruned to eliminate duplicates R: 22 90.798 2.722 1.311 0.938 1.000 0.810 CB 2.191 22 residues pruned to eliminate duplicates S: 43 53.910 2.245 0.929 0.703 0.929 0.667 CA 1.719 11 residues pruned to eliminate duplicates T: 23 60.590 2.630 0.714 0.903 0.955 0.864 CA 2.140 23 residues pruned to eliminate duplicates U: 10 24.702 2.437 0.563 0.793 0.889 0.889 CA 1.880 10 residues pruned to eliminate duplicates V: 9 18.500 2.041 0.634 0.831 1.000 0.625 CB 1.473 W: 14 33.295 2.265 0.798 0.755 1.000 0.769 CB 1.807 10 residues pruned to eliminate duplicates X: 22 79.758 2.721 1.067 0.930 1.000 0.905 CB 2.163 22 residues pruned to eliminate duplicates Y: 22 89.019 2.633 1.318 0.931 1.000 0.905 C 2.223 22 residues pruned to eliminate duplicates Z: 9 44.636 2.674 1.309 0.832 1.000 0.875 CB 1.918 Z: 10 43.586 2.559 1.262 0.819 1.000 0.889 CB 1.902 10 residues pruned to eliminate duplicates Z: 11 28.176 2.270 1.225 0.900 0.900 0.800 CB 1.400 11 residues pruned to eliminate duplicates Z: 23 64.397 2.542 0.821 0.912 1.000 0.818 CB 2.101 23 residues pruned to eliminate duplicates Z: 23 70.959 2.536 0.954 0.932 1.000 0.773 CB 2.133 23 residues pruned to eliminate duplicates Z: 14 30.804 2.278 0.623 0.796 1.000 0.923 C 1.783 14 residues pruned to eliminate duplicates Z: 23 70.512 2.520 1.008 0.916 1.000 0.864 CB 2.098 23 residues pruned to eliminate duplicates Z: 22 59.632 2.513 0.729 0.928 1.000 0.905 CB 2.097 22 residues pruned to eliminate duplicates Z: 23 67.776 2.624 0.812 0.927 1.000 0.864 CB 2.130 23 residues pruned to eliminate duplicates Z: 76 71.747 2.386 0.895 0.598 0.933 0.693 CB 1.787 36 residues pruned to eliminate duplicates Z: 11 20.818 2.301 0.991 0.805 0.800 0.800 CB 1.377 11 residues pruned to eliminate duplicates Z: 24 68.389 2.558 0.860 0.913 1.000 0.826 CB 2.121 24 residues pruned to eliminate duplicates Z: 10 38.104 2.548 1.281 0.880 1.000 1.000 CB 1.584 10 residues pruned to eliminate duplicates Z: 134 95.386 2.426 0.864 0.609 0.925 0.714 CB 1.784 86 residues pruned to eliminate duplicates Z: 22 74.435 2.706 1.010 0.926 0.952 0.762 CB 2.199 22 residues pruned to eliminate duplicates Z: 24 61.967 2.501 0.977 0.915 0.957 0.870 CB 1.931 24 residues pruned to eliminate duplicates Z: 9 17.334 2.003 0.622 0.832 1.000 0.875 CB 1.416 9 residues pruned to eliminate duplicates Z: 23 72.848 2.538 1.157 0.896 0.955 0.818 CB 2.129 23 residues pruned to eliminate duplicates Z: 69 78.390 2.460 0.910 0.649 0.971 0.676 CB 1.814 69 residues pruned to eliminate duplicates Z: 9 20.429 2.063 0.838 0.801 1.000 0.625 CA 1.464 9 residues pruned to eliminate duplicates Z: 13 30.734 2.418 0.703 0.791 0.917 0.667 CB 1.821 13 residues pruned to eliminate duplicates Z: 11 27.298 2.184 0.497 0.883 1.000 0.900 CA 1.909 11 residues pruned to eliminate duplicates Z: 12 35.712 2.600 0.586 0.776 1.000 0.818 CA 2.047 12 residues pruned to eliminate duplicates Z: 20 52.854 2.682 0.551 0.927 0.947 0.947 CB 2.157 20 residues pruned to eliminate duplicates Z: 61 89.484 2.598 1.051 0.681 0.933 0.767 CB 1.966 67 residues pruned to eliminate duplicates Z: 100 81.049 2.410 0.909 0.584 0.929 0.677 CB 1.757 33 residues pruned to eliminate duplicates Z: 24 73.056 2.546 1.082 0.934 1.000 0.957 CA 2.004 24 residues pruned to eliminate duplicates Z: 95 95.526 2.535 0.935 0.607 0.957 0.777 CB 1.895 95 residues pruned to eliminate duplicates Z: 13 25.533 2.262 0.471 0.744 1.000 0.917 CB 1.781 13 residues pruned to eliminate duplicates Z: 13 25.824 2.212 0.778 0.780 0.917 0.667 CB 1.614 Z: 10 33.830 2.366 0.933 0.906 1.000 1.000 CB 1.754 10 residues pruned to eliminate duplicates Z: 9 45.349 2.626 1.497 0.817 1.000 0.875 CB 1.856 9 residues pruned to eliminate duplicates Z: 18 35.208 2.379 0.559 0.916 1.000 0.941 CB 1.625 Z: 9 37.852 2.584 0.815 0.906 1.000 1.000 CB 2.030 9 residues pruned to eliminate duplicates Z: 76 74.846 2.480 0.872 0.620 0.920 0.720 CB 1.807 76 residues pruned to eliminate duplicates Z: 22 54.902 2.359 0.856 0.932 1.000 0.952 CB 1.910 22 residues pruned to eliminate duplicates Z: 23 56.016 2.519 0.681 0.916 0.955 0.773 CB 2.087 23 residues pruned to eliminate duplicates Z: 23 43.172 2.220 0.788 0.912 0.955 0.909 CB 1.720 23 residues pruned to eliminate duplicates Z: 8 18.341 2.148 0.660 0.736 0.857 0.571 CA 1.836 8 residues pruned to eliminate duplicates Z: 21 46.553 2.290 0.779 0.900 1.000 0.900 CB 1.825 21 residues pruned to eliminate duplicates Z: 24 51.434 2.269 0.801 0.918 1.000 0.783 CA 1.851 Z: 10 30.299 2.301 0.783 0.863 1.000 1.000 CA 1.807 10 residues pruned to eliminate duplicates Z: 43 55.761 2.493 0.895 0.546 0.952 0.524 CB 1.828 43 residues pruned to eliminate duplicates Z: 10 29.816 2.305 0.878 0.885 0.889 0.778 CB 1.866 10 residues pruned to eliminate duplicates Z: 9 13.429 1.885 0.462 0.827 0.875 0.625 CB 1.483 9 residues pruned to eliminate duplicates Z: 79 82.403 2.522 0.978 0.589 0.897 0.692 CB 1.914 79 residues pruned to eliminate duplicates Z: 10 14.046 2.144 0.267 0.773 0.778 0.667 CA 1.740 10 residues pruned to eliminate duplicates Z: 37 25.157 2.148 0.732 0.429 0.833 0.667 CB 1.455 31 residues pruned to eliminate duplicates Z: 22 73.923 2.715 1.034 0.928 0.952 0.905 CB 2.148 22 residues pruned to eliminate duplicates Z: 97 58.388 2.342 0.610 0.519 0.927 0.625 CB 1.673 22 residues pruned to eliminate duplicates Z: 18 35.769 2.479 0.435 0.879 1.000 0.941 CB 1.768 18 residues pruned to eliminate duplicates Z: 18 34.770 2.329 0.556 0.897 0.941 0.882 CB 1.770 18 residues pruned to eliminate duplicates Z: 9 16.480 2.069 0.632 0.795 0.875 0.750 CB 1.522 9 residues pruned to eliminate duplicates Z: 59 80.401 2.563 0.946 0.643 0.931 0.690 CB 1.989 59 residues pruned to eliminate duplicates Z: 23 72.445 2.613 1.044 0.921 0.955 0.909 CB 2.131 23 residues pruned to eliminate duplicates Z: 12 31.951 2.245 0.785 0.934 1.000 1.000 CA 1.676 Z: 12 40.667 2.496 0.900 0.826 1.000 0.727 CB 1.949 12 residues pruned to eliminate duplicates Z: 13 25.144 2.306 0.446 0.777 0.917 0.750 CB 1.859 13 residues pruned to eliminate duplicates Z: 12 21.402 2.054 0.516 0.832 0.909 0.909 C 1.711 12 residues pruned to eliminate duplicates Z: 8 24.935 2.295 0.791 0.842 1.000 0.571 CA 1.708 10 residues pruned to eliminate duplicates Z: 11 26.990 2.235 0.699 0.798 0.900 0.700 CA 1.923 11 residues pruned to eliminate duplicates Z: 22 52.369 2.414 0.691 0.901 1.000 0.810 CB 1.998 23 residues pruned to eliminate duplicates Z: 23 84.506 2.530 1.341 0.926 1.000 0.773 CB 2.134 23 residues pruned to eliminate duplicates Z: 12 28.134 2.054 0.953 0.872 0.909 0.909 C 1.695 12 residues pruned to eliminate duplicates Z: 64 42.676 2.289 0.541 0.528 0.921 0.667 CB 1.610 64 residues pruned to eliminate duplicates Z: 9 18.701 2.149 0.697 0.717 0.875 0.750 CB 1.702 Z: 20 67.783 2.683 0.959 0.934 0.947 0.895 CB 2.178 20 residues pruned to eliminate duplicates Z: 10 23.888 2.232 0.458 0.879 1.000 1.000 CA 1.775 10 residues pruned to eliminate duplicates Z: 7 15.416 2.332 0.479 0.710 0.833 0.833 C 1.810 7 residues pruned to eliminate duplicates Z: 23 60.447 2.301 1.040 0.919 1.000 0.864 CB 1.935 23 residues pruned to eliminate duplicates Z: 24 62.689 2.431 1.145 0.904 0.913 0.739 C 1.956 24 residues pruned to eliminate duplicates Z: 10 32.691 2.396 1.130 0.840 1.000 0.778 CB 1.593 10 residues pruned to eliminate duplicates Z: 23 48.918 2.327 0.770 0.898 0.955 0.909 CB 1.898 23 residues pruned to eliminate duplicates Z: 38 54.576 2.252 0.885 0.758 0.973 0.784 CB 1.727 32 residues pruned to eliminate duplicates Z: 95 66.609 2.415 0.695 0.500 0.936 0.617 CB 1.793 91 residues pruned to eliminate duplicates Z: 23 59.308 2.338 1.029 0.904 1.000 0.909 CB 1.899 24 residues pruned to eliminate duplicates Z: 22 82.198 2.699 1.157 0.928 1.000 0.857 CB 2.158 22 residues pruned to eliminate duplicates Z: 9 15.071 2.086 0.594 0.736 0.750 0.625 CA 1.729 9 residues pruned to eliminate duplicates Z: 8 26.797 2.296 0.697 0.827 1.000 0.714 C 1.960 8 residues pruned to eliminate duplicates Z: 22 53.014 2.630 0.668 0.904 0.905 0.857 CB 2.075 22 residues pruned to eliminate duplicates Z: 102 84.543 2.358 0.932 0.615 0.950 0.624 CB 1.742 88 residues pruned to eliminate duplicates Z: 8 13.019 2.008 0.268 0.732 0.857 0.571 C 1.830 8 residues pruned to eliminate duplicates Z: 9 29.223 2.512 0.504 0.900 1.000 0.875 CA 1.953 9 residues pruned to eliminate duplicates Z: 11 16.059 2.182 0.526 0.658 0.900 0.600 CB 1.464 11 residues pruned to eliminate duplicates Z: 9 21.231 2.182 0.512 0.851 1.000 0.875 CB 1.685 9 residues pruned to eliminate duplicates Z: 22 42.818 2.269 0.794 0.921 0.905 0.857 CB 1.786 22 residues pruned to eliminate duplicates Z: 10 15.772 2.033 0.403 0.829 1.000 0.667 CB 1.387 10 residues pruned to eliminate duplicates Z: 23 69.416 2.529 0.945 0.930 1.000 0.864 CB 2.105 23 residues pruned to eliminate duplicates Z: 13 32.848 2.158 0.859 0.906 1.000 0.917 CA 1.681 12 residues pruned to eliminate duplicates Z: 13 32.181 2.360 0.856 0.726 0.917 0.750 CB 1.888 13 residues pruned to eliminate duplicates Z: 13 27.987 2.174 0.595 0.898 1.000 0.917 CA 1.666 13 residues pruned to eliminate duplicates Z: 23 81.461 2.638 1.232 0.920 0.955 0.818 CB 2.176 23 residues pruned to eliminate duplicates Z: 10 15.370 2.242 0.248 0.760 0.778 0.667 N 1.869 10 residues pruned to eliminate duplicates Z: 8 18.786 2.269 0.468 0.863 1.000 0.857 CB 1.564 8 residues pruned to eliminate duplicates Z: 11 15.577 1.970 0.872 0.495 0.900 0.600 CB 1.492 Z: 23 62.348 2.591 0.869 0.897 0.955 0.909 CB 2.059 23 residues pruned to eliminate duplicates Z: 33 50.530 2.499 0.850 0.567 0.938 0.562 CB 1.930 31 residues pruned to eliminate duplicates Z: 10 18.551 2.093 0.827 0.750 1.000 0.778 CB 1.294 10 residues pruned to eliminate duplicates Z: 6 15.054 2.359 0.337 0.786 1.000 0.800 CB 1.660 6 residues pruned to eliminate duplicates Z: 62 81.370 2.487 1.032 0.646 0.934 0.689 CB 1.924 62 residues pruned to eliminate duplicates Z: 72 55.622 2.349 0.581 0.541 0.958 0.676 CB 1.782 72 residues pruned to eliminate duplicates Z: 39 34.804 2.225 0.587 0.526 0.947 0.605 CB 1.644 39 residues pruned to eliminate duplicates Z: 10 37.160 2.421 1.604 0.763 0.889 0.667 CB 1.750 10 residues pruned to eliminate duplicates Z: 11 34.681 2.491 0.763 0.788 1.000 0.600 CB 1.939 11 residues pruned to eliminate duplicates Z: 24 45.016 2.230 0.614 0.925 1.000 0.783 CA 1.830 24 residues pruned to eliminate duplicates Z: 19 35.006 2.375 0.456 0.889 1.000 0.889 CB 1.717 19 residues pruned to eliminate duplicates Z: 23 44.261 2.328 0.695 0.900 0.909 0.864 CB 1.879 23 residues pruned to eliminate duplicates Z: 23 50.307 2.310 0.722 0.921 1.000 0.955 CA 1.897 23 residues pruned to eliminate duplicates Z: 38 38.293 2.394 0.804 0.457 0.892 0.568 CB 1.707 38 residues pruned to eliminate duplicates Z: 21 72.866 2.624 1.035 0.936 0.950 0.900 C 2.236 21 residues pruned to eliminate duplicates Z: 19 31.105 2.279 0.523 0.884 0.889 0.889 CB 1.716 19 residues pruned to eliminate duplicates Z: 23 71.640 2.528 1.329 0.883 0.909 0.727 CA 2.063 23 residues pruned to eliminate duplicates Z: 13 29.348 2.407 0.706 0.831 0.833 0.750 CA 1.860 13 residues pruned to eliminate duplicates Z: 10 14.978 1.934 0.806 0.785 0.778 0.667 CA 1.430 10 residues pruned to eliminate duplicates Z: 57 57.455 2.521 0.823 0.502 0.875 0.661 CB 1.906 57 residues pruned to eliminate duplicates Z: 24 62.304 2.444 0.913 0.899 1.000 0.783 CB 1.987 24 residues pruned to eliminate duplicates Z: 10 18.559 2.028 1.137 0.780 0.889 0.667 CB 1.254 10 residues pruned to eliminate duplicates Z: 57 54.486 2.445 0.821 0.516 0.893 0.571 CB 1.802 57 residues pruned to eliminate duplicates Z: 22 54.830 2.299 0.990 0.906 1.000 0.714 CB 1.860 22 residues pruned to eliminate duplicates Z: 18 39.598 2.392 0.684 0.897 1.000 0.706 CB 1.707 18 residues pruned to eliminate duplicates Z: 10 26.808 2.292 0.669 0.906 1.000 0.889 CB 1.661 10 residues pruned to eliminate duplicates Z: 10 27.330 2.506 1.117 0.809 0.889 0.667 CB 1.476 10 residues pruned to eliminate duplicates Z: 22 62.319 2.618 0.954 0.879 0.905 0.857 CB 2.131 22 residues pruned to eliminate duplicates Z: 24 48.337 2.250 0.844 0.913 0.957 0.739 CA 1.798 24 residues pruned to eliminate duplicates Z: 21 33.504 2.201 0.623 0.831 1.000 0.750 CB 1.576 21 residues pruned to eliminate duplicates Z: 10 38.443 2.389 1.459 0.817 1.000 0.667 CB 1.656 10 residues pruned to eliminate duplicates Z: 39 33.989 2.153 0.814 0.589 0.895 0.737 CB 1.448 19 residues pruned to eliminate duplicates Z: 12 26.354 2.151 1.332 0.783 0.909 0.636 CB 1.357 12 residues pruned to eliminate duplicates Z: 18 34.497 2.419 0.380 0.890 1.000 0.824 CB 1.803 18 residues pruned to eliminate duplicates Z: 20 24.538 2.250 0.324 0.826 0.947 0.789 CB 1.504 20 residues pruned to eliminate duplicates Z: 23 40.592 2.233 0.722 0.918 0.955 0.864 CB 1.662 23 residues pruned to eliminate duplicates Z: 66 42.986 2.252 0.592 0.544 0.908 0.708 CB 1.569 66 residues pruned to eliminate duplicates Z: 129 95.041 2.451 0.806 0.595 0.945 0.719 CB 1.832 129 residues pruned to eliminate duplicates Z: 10 43.863 2.402 1.510 0.869 1.000 0.667 CB 1.772 10 residues pruned to eliminate duplicates Z: 22 81.437 2.611 1.215 0.900 1.000 0.810 C 2.194 22 residues pruned to eliminate duplicates Z: 8 10.976 2.002 0.171 0.869 0.857 0.714 CB 1.508 8 residues pruned to eliminate duplicates Z: 64 80.913 2.435 1.025 0.657 0.968 0.651 CB 1.846 54 residues pruned to eliminate duplicates Z: 24 47.870 2.225 0.758 0.916 1.000 0.783 CA 1.801 24 residues pruned to eliminate duplicates Z: 23 43.223 2.251 0.777 0.900 0.909 0.818 CB 1.809 23 residues pruned to eliminate duplicates Z: 23 65.224 2.608 0.793 0.914 1.000 0.818 CB 2.103 23 residues pruned to eliminate duplicates Z: 21 64.651 2.551 1.022 0.919 0.950 0.800 CA 2.079 21 residues pruned to eliminate duplicates Z: 62 39.511 2.097 0.674 0.591 0.902 0.639 CB 1.465 36 residues pruned to eliminate duplicates Z: 18 18.854 2.200 0.814 0.496 0.824 0.529 CB 1.396 8 residues pruned to eliminate duplicates Z: 64 53.951 2.427 0.639 0.552 0.952 0.730 CB 1.706 65 residues pruned to eliminate duplicates Z: 6 21.646 2.404 0.651 0.817 1.000 0.800 CA 1.851 6 residues pruned to eliminate duplicates Z: 24 20.075 2.003 0.796 0.481 0.826 0.565 CB 1.436 24 residues pruned to eliminate duplicates Z: 12 42.942 2.550 0.941 0.797 1.000 0.727 CB 2.017 12 residues pruned to eliminate duplicates Z: 65 72.177 2.431 0.847 0.645 0.953 0.734 CB 1.842 65 residues pruned to eliminate duplicates Z: 27 38.837 2.332 1.033 0.618 0.885 0.692 CB 1.625 13 residues pruned to eliminate duplicates Z: 9 23.436 2.083 0.838 0.882 1.000 1.000 CB 1.566 9 residues pruned to eliminate duplicates Z: 23 46.189 2.302 0.603 0.909 1.000 0.864 CA 1.893 23 residues pruned to eliminate duplicates Z: 8 23.462 2.136 0.749 0.903 1.000 0.714 CA 1.691 8 residues pruned to eliminate duplicates Z: 20 34.896 2.286 0.618 0.859 1.000 0.842 CB 1.593 20 residues pruned to eliminate duplicates Z: 10 19.590 1.952 0.694 0.909 1.000 1.000 CB 1.401 10 residues pruned to eliminate duplicates Z: 18 27.431 2.145 0.408 0.877 0.941 0.882 CB 1.700 18 residues pruned to eliminate duplicates Z: 68 40.580 2.207 0.497 0.508 0.925 0.716 CB 1.608 68 residues pruned to eliminate duplicates Z: 24 47.598 2.257 0.815 0.910 0.957 0.783 CA 1.797 24 residues pruned to eliminate duplicates Z: 23 40.749 2.196 0.675 0.887 1.000 0.864 CB 1.702 23 residues pruned to eliminate duplicates Z: 111 72.835 2.339 0.887 0.541 0.918 0.682 CB 1.646 139 residues pruned to eliminate duplicates Z: 18 29.624 2.178 0.397 0.890 1.000 0.941 CB 1.698 18 residues pruned to eliminate duplicates Z: 65 76.338 2.422 0.942 0.661 0.953 0.625 CB 1.833 65 residues pruned to eliminate duplicates Z: 9 10.791 1.852 0.174 0.836 0.875 0.625 CA 1.500 9 residues pruned to eliminate duplicates Z: 18 29.094 2.163 0.462 0.888 0.941 0.882 CB 1.709 18 residues pruned to eliminate duplicates Z: 12 27.775 2.510 0.329 0.761 1.000 0.818 CB 1.991 12 residues pruned to eliminate duplicates Z: 10 17.598 2.235 0.311 0.798 0.889 0.889 CB 1.735 10 residues pruned to eliminate duplicates Z: 10 23.541 2.026 0.869 0.815 1.000 0.667 CB 1.576 10 residues pruned to eliminate duplicates Z: 20 64.503 2.603 0.915 0.929 0.947 0.842 C 2.192 20 residues pruned to eliminate duplicates Z: 23 82.621 2.535 1.330 0.922 1.000 0.818 C 2.097 37 residues pruned to eliminate duplicates Z: 12 33.479 2.411 0.877 0.794 0.909 0.636 C 1.896 12 residues pruned to eliminate duplicates Z: 26 27.045 2.114 0.600 0.615 0.920 0.800 CB 1.560 26 residues pruned to eliminate duplicates Z: 22 47.773 2.286 0.841 0.916 1.000 0.905 CB 1.750 22 residues pruned to eliminate duplicates Z: 40 37.985 2.390 0.683 0.537 0.872 0.744 CB 1.672 40 residues pruned to eliminate duplicates Z: 23 39.512 2.204 0.685 0.912 0.955 0.864 CB 1.683 23 residues pruned to eliminate duplicates Z: 37 32.799 2.211 0.581 0.527 0.944 0.694 CB 1.612 37 residues pruned to eliminate duplicates Z: 63 70.350 2.405 1.045 0.616 0.952 0.694 CB 1.711 43 residues pruned to eliminate duplicates Z: 20 20.214 2.088 0.878 0.452 0.842 0.526 CB 1.474 19 residues pruned to eliminate duplicates Z: 6 7.366 2.302 -0.175 0.801 0.800 0.800 CA 1.667 6 residues pruned to eliminate duplicates Z: 23 47.654 2.308 0.653 0.920 1.000 0.818 CB 1.876 23 residues pruned to eliminate duplicates Z: 34 48.394 2.467 0.821 0.571 0.939 0.758 CB 1.864 34 residues pruned to eliminate duplicates Z: 10 19.820 2.041 0.803 0.894 1.000 0.889 CB 1.288 10 residues pruned to eliminate duplicates Z: 20 38.940 2.221 0.909 0.877 1.000 0.737 CB 1.531 20 residues pruned to eliminate duplicates Z: 22 49.142 2.376 0.674 0.931 0.952 0.905 CA 1.979 22 residues pruned to eliminate duplicates Z: 85 75.004 2.410 0.924 0.595 0.940 0.726 CB 1.714 85 residues pruned to eliminate duplicates Z: 12 13.307 1.912 0.551 0.553 0.818 0.818 CB 1.570 Z: 11 30.309 2.250 1.432 0.795 0.900 0.600 CB 1.503 11 residues pruned to eliminate duplicates Z: 9 33.281 2.544 0.717 0.881 1.000 0.625 CA 1.949 9 residues pruned to eliminate duplicates Z: 64 72.215 2.401 1.062 0.637 0.905 0.651 CB 1.787 64 residues pruned to eliminate duplicates Z: 9 29.763 2.332 1.041 0.909 1.000 1.000 CB 1.569 9 residues pruned to eliminate duplicates Z: 42 41.946 2.318 0.867 0.591 0.854 0.732 CB 1.625 21 residues pruned to eliminate duplicates Z: 18 34.659 2.409 0.425 0.907 0.941 0.882 CB 1.849 18 residues pruned to eliminate duplicates Z: 13 25.559 2.053 0.547 0.906 1.000 0.833 CA 1.653 13 residues pruned to eliminate duplicates Z: 10 22.205 2.202 0.483 0.840 1.000 1.000 CB 1.691 10 residues pruned to eliminate duplicates Z: 24 44.353 2.246 0.712 0.912 0.913 0.870 CB 1.865 24 residues pruned to eliminate duplicates Z: 17 25.158 2.219 0.981 0.591 0.812 0.750 CB 1.615 17 residues pruned to eliminate duplicates Z: 23 74.366 2.591 1.029 0.922 1.000 0.727 CB 2.121 23 residues pruned to eliminate duplicates Z: 33 40.728 2.408 0.735 0.603 0.938 0.688 CB 1.666 33 residues pruned to eliminate duplicates Z: 40 41.086 2.408 0.820 0.590 0.846 0.641 CB 1.629 40 residues pruned to eliminate duplicates Z: 18 26.111 2.076 0.380 0.926 0.941 0.882 CA 1.647 18 residues pruned to eliminate duplicates Z: 37 59.015 2.308 0.880 0.795 1.000 0.778 CB 1.751 37 residues pruned to eliminate duplicates Z: 24 44.941 2.247 0.802 0.906 0.913 0.783 CB 1.803 24 residues pruned to eliminate duplicates Z: 10 22.585 2.169 0.371 0.905 1.000 0.889 CB 1.802 10 residues pruned to eliminate duplicates Z: 6 7.836 2.095 0.146 0.819 0.800 0.800 CA 1.383 6 residues pruned to eliminate duplicates Z: 8 23.607 2.231 0.709 0.789 1.000 0.714 CA 1.816 8 residues pruned to eliminate duplicates Z: 38 57.044 2.275 0.903 0.772 0.973 0.784 CB 1.750 38 residues pruned to eliminate duplicates Z: 38 37.097 2.196 0.818 0.598 0.919 0.703 CB 1.514 38 residues pruned to eliminate duplicates Z: 63 87.222 2.560 1.030 0.668 0.952 0.758 CB 1.919 63 residues pruned to eliminate duplicates Z: 23 43.847 2.213 0.749 0.909 1.000 0.909 CB 1.714 23 residues pruned to eliminate duplicates Z: 35 19.634 1.924 0.411 0.598 0.941 0.706 CB 1.200 12 residues pruned to eliminate duplicates Z: 13 37.027 2.149 1.079 0.920 1.000 0.750 CA 1.686 13 residues pruned to eliminate duplicates Z: 9 18.999 2.002 0.810 0.820 0.875 0.875 CB 1.605 9 residues pruned to eliminate duplicates Z: 23 38.815 2.188 0.608 0.913 1.000 0.818 CB 1.664 23 residues pruned to eliminate duplicates Z: 10 21.701 2.248 0.620 0.824 0.778 0.556 CB 1.929 10 residues pruned to eliminate duplicates Z: 9 18.430 2.291 0.781 0.570 0.875 0.750 CB 1.706 9 residues pruned to eliminate duplicates Z: 8 16.219 2.400 0.194 0.856 0.857 0.571 CA 1.841 8 residues pruned to eliminate duplicates Z: 8 18.518 2.348 0.419 0.772 0.857 0.857 C 1.926 8 residues pruned to eliminate duplicates Z: 32 28.862 1.976 0.893 0.534 0.903 0.677 CB 1.484 32 residues pruned to eliminate duplicates Z: 6 14.843 2.121 0.692 0.755 1.000 0.600 CA 1.475 6 residues pruned to eliminate duplicates Z: 16 28.686 2.358 0.961 0.625 0.867 0.733 CB 1.644 16 residues pruned to eliminate duplicates Z: 94 79.684 2.430 0.941 0.551 0.935 0.677 CB 1.782 94 residues pruned to eliminate duplicates Z: 26 37.615 2.348 0.908 0.610 0.920 0.640 CB 1.645 26 residues pruned to eliminate duplicates Z: 24 48.598 2.241 0.867 0.931 0.957 0.913 CB 1.770 24 residues pruned to eliminate duplicates Z: 24 51.351 2.246 0.954 0.885 0.957 0.913 CA 1.842 24 residues pruned to eliminate duplicates Z: 72 52.364 2.326 0.608 0.546 0.915 0.690 CB 1.734 72 residues pruned to eliminate duplicates Z: 8 14.581 2.059 0.425 0.817 1.000 0.714 CB 1.426 8 residues pruned to eliminate duplicates Z: 12 21.123 2.236 0.605 0.593 0.909 0.818 CB 1.786 12 residues pruned to eliminate duplicates Z: 10 33.823 2.379 0.995 0.858 1.000 0.778 CB 1.750 10 residues pruned to eliminate duplicates Z: 7 7.848 1.748 0.138 0.744 1.000 0.833 CA 1.295 7 residues pruned to eliminate duplicates Z: 34 35.310 2.227 0.624 0.593 0.909 0.576 CB 1.709 34 residues pruned to eliminate duplicates Z: 24 40.378 2.232 0.462 0.925 1.000 0.826 CB 1.810 24 residues pruned to eliminate duplicates Z: 62 60.352 2.314 0.907 0.579 0.934 0.656 CB 1.737 64 residues pruned to eliminate duplicates Z: 18 24.999 2.036 0.437 0.916 1.000 1.000 CB 1.463 18 residues pruned to eliminate duplicates Z: 73 50.831 2.288 0.648 0.545 0.917 0.722 CB 1.658 73 residues pruned to eliminate duplicates Z: 16 19.785 1.888 0.354 0.918 1.000 0.733 CB 1.409 16 residues pruned to eliminate duplicates Z: 22 55.646 2.307 1.026 0.907 1.000 0.762 CB 1.846 22 residues pruned to eliminate duplicates Z: 15 20.470 1.761 0.645 0.935 1.000 1.000 CA 1.316 15 residues pruned to eliminate duplicates Z: 10 21.282 2.064 1.009 0.808 1.000 0.778 CB 1.308 10 residues pruned to eliminate duplicates Z: 23 57.978 2.328 1.133 0.912 0.955 0.727 CB 1.847 23 residues pruned to eliminate duplicates Z: 65 50.302 2.360 0.521 0.569 0.922 0.703 CB 1.776 65 residues pruned to eliminate duplicates Z: 8 24.592 2.257 0.541 0.899 1.000 0.714 C 1.911 8 residues pruned to eliminate duplicates Z: 61 70.379 2.403 0.921 0.633 0.933 0.667 CB 1.862 61 residues pruned to eliminate duplicates Z: 20 39.633 2.221 0.970 0.884 1.000 0.737 CB 1.502 20 residues pruned to eliminate duplicates Z: 23 54.453 2.320 0.945 0.921 0.955 0.818 CA 1.897 23 residues pruned to eliminate duplicates Z: 11 19.642 1.922 0.564 0.933 1.000 0.900 CB 1.442 11 residues pruned to eliminate duplicates Z: 97 69.722 2.454 0.708 0.537 0.938 0.656 CB 1.748 97 residues pruned to eliminate duplicates Z: 10 27.916 2.233 0.603 0.850 1.000 0.778 CA 1.925 10 residues pruned to eliminate duplicates Z: 18 44.264 2.490 0.825 0.891 0.941 0.706 CB 1.806 18 residues pruned to eliminate duplicates Z: 6 10.866 2.316 0.162 0.800 0.800 0.400 CA 1.735 6 residues pruned to eliminate duplicates Z: 12 26.557 2.225 0.504 0.926 1.000 1.000 CA 1.678 12 residues pruned to eliminate duplicates Z: 7 7.188 1.907 0.392 0.285 1.000 0.667 CB 1.409 7 residues pruned to eliminate duplicates Z: 13 12.910 1.898 0.628 0.391 0.917 0.667 CB 1.477 13 residues pruned to eliminate duplicates Z: 22 92.859 2.621 1.492 0.926 1.000 0.762 C 2.177 22 residues pruned to eliminate duplicates Z: 6 5.464 1.889 0.692 0.286 1.000 0.800 CA 0.972 Z: 7 7.895 1.780 1.019 0.463 0.833 0.500 CB 1.117 7 residues pruned to eliminate duplicates Z: 8 22.830 2.332 1.010 0.828 0.714 0.571 CA 1.941 8 residues pruned to eliminate duplicates Z: 10 20.475 1.998 0.588 0.917 1.000 1.000 CB 1.519 10 residues pruned to eliminate duplicates Z: 6 5.962 1.909 -0.171 0.876 1.000 1.000 CB 1.224 6 residues pruned to eliminate duplicates Z: 9 13.403 1.870 0.915 0.552 1.000 0.625 CB 1.258 9 residues pruned to eliminate duplicates Z: 22 51.946 2.413 0.679 0.907 1.000 0.810 CA 1.989 22 residues pruned to eliminate duplicates Z: 23 60.134 2.553 0.730 0.937 1.000 0.955 CB 2.020 23 residues pruned to eliminate duplicates Z: 37 43.386 2.466 0.743 0.507 0.944 0.694 CB 1.768 37 residues pruned to eliminate duplicates Z: 42 50.789 2.488 0.811 0.511 0.951 0.707 CB 1.830 42 residues pruned to eliminate duplicates Z: 22 58.487 2.350 1.037 0.926 1.000 0.905 CB 1.870 22 residues pruned to eliminate duplicates Z: 21 49.481 2.399 0.716 0.918 0.950 0.900 CA 1.994 21 residues pruned to eliminate duplicates Z: 126 80.755 2.416 0.841 0.549 0.912 0.648 CB 1.697 126 residues pruned to eliminate duplicates Z: 44 50.947 2.497 0.881 0.506 0.884 0.605 CB 1.861 44 residues pruned to eliminate duplicates Z: 6 7.337 1.700 0.336 0.667 1.000 0.800 CA 1.238 6 residues pruned to eliminate duplicates Z: 37 57.483 2.302 0.880 0.792 1.000 0.833 CB 1.713 37 residues pruned to eliminate duplicates Z: 11 33.125 2.481 0.743 0.789 1.000 0.700 CB 1.879 11 residues pruned to eliminate duplicates Z: 69 76.151 2.476 0.920 0.657 0.926 0.721 CB 1.812 69 residues pruned to eliminate duplicates Z: 7 27.255 2.568 0.542 0.873 1.000 1.000 CA 2.047 7 residues pruned to eliminate duplicates Z: 23 56.006 2.314 0.932 0.913 1.000 0.682 CB 1.891 23 residues pruned to eliminate duplicates Z: 9 20.325 2.123 0.773 0.801 0.875 0.625 CA 1.677 9 residues pruned to eliminate duplicates Z: 12 27.604 2.475 0.480 0.705 1.000 0.636 CB 1.886 12 residues pruned to eliminate duplicates Z: 7 9.020 1.749 0.318 0.769 1.000 0.667 CA 1.260 7 residues pruned to eliminate duplicates Z: 6 10.897 2.187 0.615 0.633 0.800 0.800 CA 1.522 6 residues pruned to eliminate duplicates Z: 15 21.566 1.752 0.745 0.930 1.000 1.000 CA 1.318 15 residues pruned to eliminate duplicates Z: 62 48.825 2.315 0.862 0.506 0.869 0.705 CB 1.659 62 residues pruned to eliminate duplicates Z: 57 43.593 2.333 0.637 0.490 0.911 0.643 CB 1.691 57 residues pruned to eliminate duplicates Z: 16 26.594 2.364 0.838 0.644 0.933 0.667 CB 1.480 16 residues pruned to eliminate duplicates Z: 22 96.753 2.723 1.453 0.935 1.000 0.714 CB 2.203 22 residues pruned to eliminate duplicates Z: 13 18.101 1.846 0.545 0.905 1.000 0.833 CB 1.304 13 residues pruned to eliminate duplicates Z: 9 21.258 2.138 0.632 0.823 1.000 0.750 CB 1.628 9 residues pruned to eliminate duplicates Z: 23 80.423 2.533 1.383 0.917 0.955 0.636 CB 2.101 23 residues pruned to eliminate duplicates Z: 12 20.265 1.954 0.516 0.926 1.000 1.000 CA 1.447 12 residues pruned to eliminate duplicates Z: 24 51.961 2.372 0.864 0.841 0.957 0.783 CB 1.911 24 residues pruned to eliminate duplicates Z: 38 34.852 2.216 0.680 0.529 0.946 0.676 CB 1.582 38 residues pruned to eliminate duplicates Z: 17 16.213 1.834 0.237 0.913 0.938 0.938 CB 1.349 17 residues pruned to eliminate duplicates Z: 6 9.286 2.195 0.460 0.668 0.800 0.600 CA 1.387 6 residues pruned to eliminate duplicates Z: 17 15.139 1.807 0.233 0.912 1.000 0.938 CB 1.204 17 residues pruned to eliminate duplicates Z: 25 72.625 2.375 1.344 0.918 0.958 0.750 C 1.959 25 residues pruned to eliminate duplicates Z: 38 55.020 2.236 0.881 0.780 1.000 0.811 CB 1.680 38 residues pruned to eliminate duplicates Z: 10 12.014 2.206 -0.071 0.767 0.889 0.778 CB 1.736 10 residues pruned to eliminate duplicates Z: 14 10.699 1.829 0.095 0.782 0.846 0.769 CB 1.366 14 residues pruned to eliminate duplicates Z: 9 21.608 2.409 0.580 0.865 0.875 0.625 CB 1.681 9 residues pruned to eliminate duplicates Z: 9 23.743 2.482 0.727 0.852 0.875 0.875 CB 1.656 9 residues pruned to eliminate duplicates Z: 10 20.973 2.212 0.687 0.842 0.778 0.667 CA 1.794 10 residues pruned to eliminate duplicates Z: 8 14.605 1.932 0.534 0.879 0.857 0.857 CA 1.575 8 residues pruned to eliminate duplicates Z: 14 24.301 1.832 0.908 0.901 1.000 0.769 CA 1.376 14 residues pruned to eliminate duplicates Z: 143 71.628 2.242 0.694 0.575 0.901 0.676 CB 1.634 143 residues pruned to eliminate duplicates Z: 10 14.527 2.114 0.226 0.837 0.778 0.667 CB 1.796 10 residues pruned to eliminate duplicates Z: 23 79.180 2.522 1.408 0.920 0.955 0.727 C 2.050 23 residues pruned to eliminate duplicates Z: 18 15.346 1.837 0.237 0.910 1.000 0.941 CB 1.162 18 residues pruned to eliminate duplicates Z: 23 63.469 2.525 0.895 0.900 1.000 0.864 CB 2.020 23 residues pruned to eliminate duplicates Z: 11 16.424 1.841 0.536 0.899 1.000 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 16 16.606 1.815 0.657 0.602 0.933 0.600 CB 1.387 12 residues pruned to eliminate duplicates Z: 9 39.324 2.433 1.319 0.909 1.000 0.750 C 1.749 9 residues pruned to eliminate duplicates Z: 6 8.002 1.993 0.116 0.741 1.000 0.800 CA 1.297 6 residues pruned to eliminate duplicates Z: 23 56.203 2.319 0.950 0.904 1.000 0.818 CA 1.888 23 residues pruned to eliminate duplicates Z: 23 45.710 2.276 0.650 0.886 1.000 0.909 CA 1.872 23 residues pruned to eliminate duplicates Z: 23 47.280 2.203 0.922 0.904 1.000 0.818 CB 1.696 23 residues pruned to eliminate duplicates Z: 37 36.630 2.178 0.840 0.607 0.917 0.750 CB 1.502 36 residues pruned to eliminate duplicates Z: 13 31.207 2.130 0.863 0.897 1.000 0.917 CA 1.625 13 residues pruned to eliminate duplicates Z: 23 71.059 2.581 1.146 0.930 0.955 0.864 CB 2.004 23 residues pruned to eliminate duplicates Z: 75 65.130 2.387 0.798 0.620 0.905 0.635 CB 1.740 75 residues pruned to eliminate duplicates Z: 70 70.537 2.511 0.835 0.609 0.899 0.667 CB 1.850 70 residues pruned to eliminate duplicates Z: 18 34.162 2.117 0.715 0.911 1.000 0.824 CB 1.617 18 residues pruned to eliminate duplicates Z: 11 21.238 2.205 0.748 0.618 1.000 0.800 CB 1.559 11 residues pruned to eliminate duplicates Z: 32 48.124 2.247 0.748 0.801 0.968 0.677 CB 1.748 32 residues pruned to eliminate duplicates Z: 18 18.170 1.859 0.253 0.915 0.941 0.765 CB 1.420 18 residues pruned to eliminate duplicates Z: 9 16.323 2.156 0.556 0.465 1.000 0.625 CB 1.783 9 residues pruned to eliminate duplicates Z: 10 22.190 2.361 0.341 0.798 1.000 0.778 CB 1.800 10 residues pruned to eliminate duplicates Z: 23 49.258 2.211 1.009 0.908 1.000 0.864 CB 1.679 23 residues pruned to eliminate duplicates Z: 40 35.969 2.253 0.796 0.497 0.897 0.667 CB 1.591 40 residues pruned to eliminate duplicates Z: 25 25.962 2.008 0.740 0.631 0.917 0.708 CB 1.463 25 residues pruned to eliminate duplicates Z: 84 76.129 2.479 0.840 0.592 0.928 0.735 CB 1.809 84 residues pruned to eliminate duplicates Z: 122 72.839 2.342 0.757 0.565 0.901 0.669 CB 1.677 122 residues pruned to eliminate duplicates Z: 22 66.674 2.665 0.866 0.923 1.000 0.905 CB 2.056 22 residues pruned to eliminate duplicates Z: 8 31.888 2.379 0.948 0.898 1.000 1.000 CA 1.860 8 residues pruned to eliminate duplicates Z: 13 24.335 1.877 0.910 0.911 1.000 0.833 CA 1.389 13 residues pruned to eliminate duplicates Z: 9 21.525 2.380 0.424 0.846 1.000 1.000 CB 1.668 9 residues pruned to eliminate duplicates Z: 7 9.590 1.850 0.595 0.696 0.833 0.833 C 1.331 7 residues pruned to eliminate duplicates Z: 33 41.628 2.312 0.798 0.571 0.969 0.625 CB 1.706 33 residues pruned to eliminate duplicates Z: 17 15.749 1.938 -0.011 0.934 1.000 1.000 CB 1.433 17 residues pruned to eliminate duplicates Z: 18 38.310 2.416 0.621 0.892 1.000 0.765 CB 1.704 18 residues pruned to eliminate duplicates Z: 24 58.187 2.263 1.191 0.914 0.957 0.783 CB 1.809 24 residues pruned to eliminate duplicates Z: 66 35.614 2.096 0.487 0.536 0.938 0.646 CB 1.458 68 residues pruned to eliminate duplicates Z: 67 49.342 2.333 0.670 0.517 0.924 0.667 CB 1.659 67 residues pruned to eliminate duplicates Z: 18 27.709 2.070 0.417 0.935 1.000 0.941 CB 1.597 18 residues pruned to eliminate duplicates Z: 65 47.099 2.341 0.529 0.535 0.891 0.688 CB 1.785 65 residues pruned to eliminate duplicates Z: 10 12.569 1.921 0.966 0.352 1.000 0.333 CB 1.301 10 residues pruned to eliminate duplicates Z: 86 65.129 2.468 0.739 0.525 0.906 0.635 CB 1.772 86 residues pruned to eliminate duplicates Z: 93 62.661 2.374 0.671 0.517 0.913 0.641 CB 1.774 93 residues pruned to eliminate duplicates Z: 35 36.287 2.351 0.889 0.579 0.824 0.618 CB 1.577 35 residues pruned to eliminate duplicates Z: 71 46.162 2.181 0.687 0.551 0.929 0.743 CB 1.537 71 residues pruned to eliminate duplicates Z: 17 25.690 2.190 0.267 0.926 1.000 0.938 CB 1.622 17 residues pruned to eliminate duplicates Z: 159 98.359 2.374 0.859 0.607 0.924 0.709 CB 1.735 159 residues pruned to eliminate duplicates Z: 33 20.724 1.937 0.368 0.636 0.938 0.750 CB 1.299 33 residues pruned to eliminate duplicates Z: 36 33.633 2.229 0.652 0.525 0.971 0.686 CB 1.550 36 residues pruned to eliminate duplicates Z: 19 19.935 2.299 0.601 0.497 0.833 0.611 CB 1.536 19 residues pruned to eliminate duplicates Z: 35 31.666 2.145 0.655 0.559 0.941 0.765 CB 1.534 35 residues pruned to eliminate duplicates Z: 18 27.898 2.068 0.471 0.894 1.000 0.941 CB 1.596 18 residues pruned to eliminate duplicates Z: 48 62.761 2.350 0.929 0.700 0.936 0.660 CB 1.798 50 residues pruned to eliminate duplicates Z: 27 25.631 2.134 0.700 0.567 0.885 0.808 CB 1.468 27 residues pruned to eliminate duplicates Z: 12 26.866 2.392 0.421 0.742 1.000 0.818 CB 1.919 12 residues pruned to eliminate duplicates Z: 70 70.131 2.385 0.889 0.614 0.928 0.623 CB 1.814 70 residues pruned to eliminate duplicates Z: 18 16.354 1.877 0.279 0.903 1.000 0.882 CB 1.177 18 residues pruned to eliminate duplicates Z: 7 7.034 1.891 0.128 0.668 0.833 0.667 CA 1.384 7 residues pruned to eliminate duplicates Z: 8 12.158 2.038 0.560 0.752 0.857 0.714 CB 1.347 8 residues pruned to eliminate duplicates Z: 18 20.973 1.836 0.533 0.919 1.000 0.824 CB 1.274 21 residues pruned to eliminate duplicates Z: 63 77.756 2.445 1.055 0.630 0.919 0.613 CB 1.892 63 residues pruned to eliminate duplicates Z: 17 16.194 2.072 0.764 0.430 0.812 0.562 CB 1.465 17 residues pruned to eliminate duplicates Z: 17 23.803 1.979 0.492 0.925 1.000 0.812 CB 1.415 17 residues pruned to eliminate duplicates Z: 38 38.215 2.208 0.876 0.603 0.919 0.703 CB 1.496 38 residues pruned to eliminate duplicates Z: 24 84.031 2.515 1.413 0.933 1.000 0.826 CA 2.015 24 residues pruned to eliminate duplicates Z: 23 43.439 2.201 0.797 0.910 0.955 0.864 CB 1.740 23 residues pruned to eliminate duplicates Z: 18 16.193 1.891 0.099 0.925 0.941 0.824 CB 1.409 18 residues pruned to eliminate duplicates Z: 22 49.487 2.282 0.785 0.932 1.000 1.000 C 1.852 22 residues pruned to eliminate duplicates Z: 18 33.142 2.115 0.710 0.926 0.941 0.882 CB 1.656 18 residues pruned to eliminate duplicates Z: 142 88.412 2.380 0.732 0.592 0.929 0.709 CB 1.781 142 residues pruned to eliminate duplicates Z: 23 76.954 2.524 1.257 0.890 1.000 0.727 C 2.072 23 residues pruned to eliminate duplicates Z: 44 44.241 2.445 0.705 0.474 0.930 0.628 CB 1.786 44 residues pruned to eliminate duplicates Z: 18 35.571 2.100 0.825 0.928 0.941 0.765 CB 1.676 18 residues pruned to eliminate duplicates Z: 37 47.842 2.275 0.687 0.757 0.944 0.667 CB 1.750 37 residues pruned to eliminate duplicates Z: 13 16.832 1.868 0.525 0.867 0.917 0.833 CA 1.361 13 residues pruned to eliminate duplicates Z: 18 25.355 2.101 0.276 0.916 1.000 0.882 CB 1.620 18 residues pruned to eliminate duplicates Z: 17 17.566 1.860 0.289 0.927 1.000 0.938 CB 1.283 17 residues pruned to eliminate duplicates Z: 69 55.353 2.349 0.825 0.476 0.897 0.647 CB 1.789 69 residues pruned to eliminate duplicates Z: 18 39.308 2.139 0.901 0.909 1.000 0.941 CB 1.664 18 residues pruned to eliminate duplicates Z: 36 41.114 2.457 0.646 0.540 0.914 0.600 CB 1.806 36 residues pruned to eliminate duplicates Z: 129 90.745 2.451 0.760 0.593 0.945 0.711 CB 1.799 129 residues pruned to eliminate duplicates Z: 66 76.301 2.397 0.956 0.634 0.954 0.692 CB 1.865 66 residues pruned to eliminate duplicates Z: 17 17.981 2.151 0.648 0.386 0.875 0.562 CB 1.635 17 residues pruned to eliminate duplicates Z: 23 27.859 2.110 0.723 0.649 0.955 0.818 CB 1.489 23 residues pruned to eliminate duplicates Z: 77 58.501 2.420 0.613 0.549 0.961 0.711 CB 1.705 77 residues pruned to eliminate duplicates Z: 22 53.030 2.295 0.956 0.911 1.000 0.952 CB 1.826 22 residues pruned to eliminate duplicates Z: 22 90.389 2.599 1.460 0.939 1.000 0.714 C 2.144 22 residues pruned to eliminate duplicates Z: 74 50.025 2.283 0.559 0.527 0.918 0.726 CB 1.747 74 residues pruned to eliminate duplicates Z: 44 40.049 2.375 0.670 0.489 0.930 0.651 CB 1.673 44 residues pruned to eliminate duplicates Z: 70 51.538 2.241 0.787 0.556 0.928 0.609 CB 1.581 70 residues pruned to eliminate duplicates Z: 7 13.468 2.218 0.152 0.885 1.000 0.667 CB 1.553 7 residues pruned to eliminate duplicates Z: 17 15.223 1.847 0.196 0.931 1.000 0.812 CB 1.204 17 residues pruned to eliminate duplicates Z: 25 18.890 2.081 0.668 0.412 0.875 0.500 CB 1.392 25 residues pruned to eliminate duplicates Z: 16 14.667 1.861 0.300 0.885 1.000 0.600 CB 1.130 16 residues pruned to eliminate duplicates Z: 10 11.628 1.829 0.293 0.874 0.889 0.889 CB 1.342 10 residues pruned to eliminate duplicates Z: 18 17.700 1.808 0.307 0.907 1.000 0.941 CB 1.291 18 residues pruned to eliminate duplicates Z: 10 33.736 2.389 1.001 0.888 1.000 0.889 CB 1.695 10 residues pruned to eliminate duplicates Z: 10 14.383 1.954 0.246 0.844 0.889 0.889 CB 1.649 10 residues pruned to eliminate duplicates Z: 23 60.726 2.230 1.272 0.914 1.000 0.909 CB 1.807 23 residues pruned to eliminate duplicates Z: 35 23.506 2.140 0.660 0.466 0.794 0.471 CB 1.481 35 residues pruned to eliminate duplicates Z: 7 4.859 1.832 0.390 0.399 0.667 0.500 CA 1.300 7 residues pruned to eliminate duplicates Z: 54 47.207 2.138 0.790 0.662 0.962 0.679 CB 1.516 54 residues pruned to eliminate duplicates Z: 15 30.341 2.419 0.890 0.646 1.000 0.714 CB 1.547 15 residues pruned to eliminate duplicates Z: 28 18.876 2.003 0.565 0.475 0.815 0.556 CB 1.459 28 residues pruned to eliminate duplicates Z: 10 7.932 1.796 0.400 0.458 1.000 0.667 CB 1.098 Z: 21 21.831 1.988 0.728 0.652 0.850 0.750 CB 1.450 21 residues pruned to eliminate duplicates Z: 43 38.237 2.273 0.679 0.483 0.929 0.571 CB 1.693 43 residues pruned to eliminate duplicates Z: 58 79.566 2.481 0.958 0.641 0.982 0.649 CB 1.937 58 residues pruned to eliminate duplicates Z: 22 56.327 2.297 1.084 0.913 1.000 0.810 CB 1.818 22 residues pruned to eliminate duplicates Z: 16 12.173 1.784 0.114 0.946 1.000 1.000 CB 1.093 16 residues pruned to eliminate duplicates Z: 13 19.261 1.870 0.529 0.890 1.000 0.917 CB 1.400 13 residues pruned to eliminate duplicates Z: 65 69.296 2.316 1.033 0.642 0.922 0.656 CB 1.748 65 residues pruned to eliminate duplicates Z: 18 16.722 1.851 0.333 0.920 1.000 0.941 CB 1.158 18 residues pruned to eliminate duplicates Z: 69 66.842 2.347 0.778 0.628 0.985 0.618 CB 1.748 69 residues pruned to eliminate duplicates Z: 7 14.432 1.981 0.760 0.702 1.000 0.833 CA 1.406 7 residues pruned to eliminate duplicates Z: 68 80.813 2.402 0.972 0.655 0.985 0.716 CB 1.832 68 residues pruned to eliminate duplicates Z: 82 75.971 2.469 0.914 0.563 0.901 0.716 CB 1.865 82 residues pruned to eliminate duplicates Z: 129 78.685 2.296 0.799 0.613 0.914 0.680 CB 1.655 129 residues pruned to eliminate duplicates Z: 50 57.158 2.310 0.900 0.669 0.898 0.755 CB 1.773 50 residues pruned to eliminate duplicates Z: 31 39.725 2.466 0.719 0.556 0.900 0.700 CB 1.801 31 residues pruned to eliminate duplicates Z: 13 12.289 2.006 0.394 0.533 0.917 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 23 66.088 2.362 1.184 0.922 1.000 0.909 CA 1.921 23 residues pruned to eliminate duplicates Z: 15 16.005 2.009 0.647 0.508 0.857 0.643 CB 1.497 15 residues pruned to eliminate duplicates Z: 45 54.950 2.330 0.793 0.706 0.886 0.682 CB 1.856 45 residues pruned to eliminate duplicates Z: 27 20.812 2.138 0.253 0.566 0.885 0.577 CB 1.616 27 residues pruned to eliminate duplicates Z: 32 53.990 2.297 0.830 0.799 0.968 0.774 CA 1.834 32 residues pruned to eliminate duplicates Z: 12 22.267 2.421 0.550 0.714 0.818 0.727 CB 1.801 12 residues pruned to eliminate duplicates Z: 14 20.952 1.774 0.787 0.886 1.000 0.692 CA 1.322 14 residues pruned to eliminate duplicates Z: 52 53.542 2.183 0.898 0.665 0.961 0.725 CB 1.618 52 residues pruned to eliminate duplicates Z: 10 22.959 2.337 0.261 0.903 1.000 0.778 CA 1.851 10 residues pruned to eliminate duplicates Z: 22 70.225 2.425 1.227 0.922 1.000 0.905 CB 1.995 22 residues pruned to eliminate duplicates Z: 24 46.697 2.248 0.799 0.901 0.957 0.826 CB 1.796 24 residues pruned to eliminate duplicates Z: 12 37.326 2.471 0.814 0.768 1.000 0.636 CA 1.980 12 residues pruned to eliminate duplicates Z: 48 54.549 2.299 0.791 0.663 0.979 0.681 CB 1.698 48 residues pruned to eliminate duplicates Z: 17 10.541 2.006 0.247 0.334 1.000 0.438 CB 1.264 17 residues pruned to eliminate duplicates Z: 20 42.143 2.195 1.065 0.902 1.000 0.526 CB 1.521 20 residues pruned to eliminate duplicates Z: 8 7.442 1.756 0.658 0.595 0.714 0.714 CB 1.234 8 residues pruned to eliminate duplicates Z: 23 48.292 2.204 1.098 0.907 0.955 0.636 CB 1.658 23 residues pruned to eliminate duplicates Z: 9 25.973 1.991 1.245 0.881 1.000 0.875 CB 1.487 9 residues pruned to eliminate duplicates Z: 16 18.441 2.027 0.636 0.540 0.867 0.667 CB 1.593 16 residues pruned to eliminate duplicates Z: 17 14.286 1.809 0.096 0.932 1.000 0.938 CB 1.258 17 residues pruned to eliminate duplicates Z: 21 54.150 2.258 1.114 0.923 1.000 0.850 CB 1.783 21 residues pruned to eliminate duplicates Z: 115 85.382 2.464 0.792 0.576 0.956 0.675 CB 1.761 115 residues pruned to eliminate duplicates Z: 10 21.817 2.202 0.267 0.900 1.000 1.000 CB 1.862 10 residues pruned to eliminate duplicates Z: 6 9.574 1.854 1.247 0.537 0.800 0.800 CB 1.239 6 residues pruned to eliminate duplicates Z: 15 13.112 2.118 0.693 0.606 0.714 0.571 CB 1.238 15 residues pruned to eliminate duplicates Z: 62 54.771 2.310 0.649 0.543 0.984 0.705 CB 1.794 62 residues pruned to eliminate duplicates Z: 8 8.551 1.624 0.707 0.585 1.000 0.571 CB 1.074 Z: 12 32.021 2.486 0.568 0.754 1.000 0.909 CB 1.974 12 residues pruned to eliminate duplicates Z: 15 11.140 1.925 0.658 0.419 0.857 0.643 CB 1.184 15 residues pruned to eliminate duplicates Z: 10 22.509 2.032 0.686 0.910 1.000 0.889 CB 1.554 10 residues pruned to eliminate duplicates Z: 69 49.418 2.331 0.684 0.532 0.941 0.721 CB 1.572 69 residues pruned to eliminate duplicates Z: 24 46.529 2.158 1.002 0.893 0.957 0.696 CB 1.685 24 residues pruned to eliminate duplicates Z: 35 35.100 2.337 0.664 0.497 0.941 0.706 CB 1.650 35 residues pruned to eliminate duplicates Z: 23 59.844 2.477 0.845 0.928 0.955 0.636 C 2.048 23 residues pruned to eliminate duplicates Z: 32 47.259 2.506 0.937 0.560 0.871 0.581 CB 1.894 32 residues pruned to eliminate duplicates Z: 17 32.897 2.201 0.601 0.932 1.000 0.875 CB 1.630 17 residues pruned to eliminate duplicates Z: 20 24.021 2.095 0.755 0.692 0.895 0.684 CB 1.405 20 residues pruned to eliminate duplicates Z: 78 66.821 2.395 0.800 0.570 0.896 0.597 CB 1.841 78 residues pruned to eliminate duplicates Z: 69 62.340 2.406 0.841 0.529 0.941 0.632 CB 1.763 69 residues pruned to eliminate duplicates Z: 40 35.693 2.190 0.676 0.534 0.923 0.667 CB 1.632 40 residues pruned to eliminate duplicates Z: 9 12.147 2.213 0.217 0.520 1.000 0.750 CB 1.564 9 residues pruned to eliminate duplicates Z: 18 33.539 2.171 0.708 0.898 0.941 0.765 CB 1.667 18 residues pruned to eliminate duplicates Z: 16 18.181 2.131 0.694 0.653 0.867 0.733 CB 1.301 16 residues pruned to eliminate duplicates Z: 86 60.465 2.303 0.851 0.541 0.906 0.635 CB 1.631 86 residues pruned to eliminate duplicates Z: 17 41.968 2.206 1.048 0.840 0.938 0.750 CA 1.848 17 residues pruned to eliminate duplicates Z: 21 35.182 2.045 0.659 0.930 1.000 0.950 CB 1.622 21 residues pruned to eliminate duplicates Z: 6 11.037 2.138 0.155 0.815 1.000 0.800 CB 1.519 6 residues pruned to eliminate duplicates Z: 39 51.088 2.509 0.870 0.561 0.921 0.763 CB 1.808 39 residues pruned to eliminate duplicates Z: 10 30.632 2.316 0.861 0.893 1.000 0.778 CB 1.701 10 residues pruned to eliminate duplicates Z: 13 39.789 2.335 1.034 0.775 1.000 0.583 CB 1.897 13 residues pruned to eliminate duplicates Z: 12 7.035 1.712 0.778 0.398 0.727 0.545 CB 1.067 15 residues pruned to eliminate duplicates Z: 6 12.808 2.175 0.535 0.861 1.000 0.600 CA 1.261 6 residues pruned to eliminate duplicates Z: 15 8.768 1.623 0.332 0.530 1.000 0.714 CB 1.052 10 residues pruned to eliminate duplicates Z: 15 32.091 2.446 0.837 0.721 0.929 0.786 CB 1.684 16 residues pruned to eliminate duplicates Z: 9 25.184 2.517 0.483 0.865 0.875 0.750 CA 1.999 9 residues pruned to eliminate duplicates Z: 21 40.950 2.537 0.876 0.530 1.000 0.700 CB 1.868 21 residues pruned to eliminate duplicates Z: 9 25.124 1.985 1.232 0.827 1.000 0.875 CA 1.511 9 residues pruned to eliminate duplicates Z: 63 82.423 2.551 0.967 0.640 0.935 0.710 CB 1.957 63 residues pruned to eliminate duplicates Z: 26 20.183 2.029 0.640 0.566 0.800 0.480 CB 1.423 26 residues pruned to eliminate duplicates Z: 16 18.816 1.825 0.592 0.916 1.000 0.733 CB 1.181 16 residues pruned to eliminate duplicates Z: 12 21.721 2.431 0.591 0.682 0.818 0.636 CB 1.751 12 residues pruned to eliminate duplicates Z: 23 36.052 2.367 0.705 0.605 0.955 0.818 CB 1.806 23 residues pruned to eliminate duplicates Z: 70 48.566 2.167 0.817 0.596 0.899 0.580 CB 1.508 70 residues pruned to eliminate duplicates Z: 34 45.911 2.447 0.905 0.577 0.909 0.727 CB 1.752 34 residues pruned to eliminate duplicates Z: 22 58.029 2.271 1.196 0.927 1.000 0.524 CB 1.779 22 residues pruned to eliminate duplicates Z: 19 45.466 2.370 0.644 0.948 1.000 0.944 CA 1.899 19 residues pruned to eliminate duplicates Z: 13 18.024 1.798 0.491 0.917 1.000 0.917 CB 1.370 13 residues pruned to eliminate duplicates Z: 13 26.022 2.318 0.460 0.801 1.000 0.667 CA 1.707 13 residues pruned to eliminate duplicates Z: 120 78.814 2.379 0.903 0.533 0.891 0.580 CB 1.735 120 residues pruned to eliminate duplicates Z: 13 19.271 1.842 0.497 0.919 1.000 1.000 CA 1.422 13 residues pruned to eliminate duplicates Z: 57 60.221 2.509 0.677 0.533 0.964 0.679 CB 1.920 57 residues pruned to eliminate duplicates Z: 6 4.912 1.484 0.609 0.613 0.800 0.400 CA 1.033 6 residues pruned to eliminate duplicates Z: 18 36.100 2.322 0.652 0.910 0.941 0.941 CB 1.719 18 residues pruned to eliminate duplicates Z: 8 11.472 1.839 0.785 0.751 0.857 0.857 CB 1.232 8 residues pruned to eliminate duplicates Z: 30 61.551 2.403 1.192 0.713 1.000 0.759 CB 1.789 30 residues pruned to eliminate duplicates Z: 9 8.671 1.817 0.443 0.588 0.875 0.750 CB 1.228 9 residues pruned to eliminate duplicates Z: 11 17.505 2.314 0.501 0.552 1.000 0.800 CB 1.515 11 residues pruned to eliminate duplicates Z: 16 31.980 2.323 0.913 0.618 1.000 0.800 CB 1.662 16 residues pruned to eliminate duplicates Z: 29 48.833 2.458 1.045 0.566 0.929 0.679 CB 1.856 29 residues pruned to eliminate duplicates Z: 43 40.274 2.298 0.756 0.520 0.905 0.690 CB 1.669 43 residues pruned to eliminate duplicates Z: 59 46.193 2.333 0.646 0.563 0.879 0.707 CB 1.689 59 residues pruned to eliminate duplicates Z: 52 76.614 2.465 1.010 0.652 0.980 0.725 CB 1.917 52 residues pruned to eliminate duplicates Z: 59 54.040 2.412 0.753 0.532 0.931 0.655 CB 1.747 59 residues pruned to eliminate duplicates Z: 9 12.826 1.938 0.684 0.518 1.000 0.875 CB 1.365 9 residues pruned to eliminate duplicates Z: 9 7.534 1.826 0.353 0.563 0.875 0.625 CB 1.160 9 residues pruned to eliminate duplicates Z: 9 9.466 1.826 0.682 0.361 0.875 0.500 CB 1.447 9 residues pruned to eliminate duplicates Z: 8 19.025 2.238 0.515 0.832 0.857 0.714 C 1.856 8 residues pruned to eliminate duplicates Z: 17 18.409 2.259 0.796 0.253 0.875 0.375 CB 1.721 17 residues pruned to eliminate duplicates Z: 16 24.660 2.003 0.525 0.930 1.000 0.800 CB 1.457 16 residues pruned to eliminate duplicates Z: 19 12.356 1.753 -0.018 0.900 1.000 0.944 CB 1.209 19 residues pruned to eliminate duplicates Z: 10 14.716 1.973 0.111 0.927 1.000 1.000 CB 1.568 10 residues pruned to eliminate duplicates Z: 23 53.379 2.500 0.718 0.903 0.955 0.909 CB 1.979 23 residues pruned to eliminate duplicates Z: 19 41.696 2.342 0.928 0.877 0.944 0.500 CB 1.674 19 residues pruned to eliminate duplicates Z: 95 81.725 2.484 0.931 0.562 0.926 0.628 CB 1.788 95 residues pruned to eliminate duplicates Z: 69 83.633 2.502 0.982 0.653 0.941 0.750 CB 1.885 75 residues pruned to eliminate duplicates Z: 17 43.031 2.495 1.005 0.610 1.000 0.812 CB 1.937 17 residues pruned to eliminate duplicates Z: 39 53.095 2.210 0.870 0.733 1.000 0.711 CB 1.690 39 residues pruned to eliminate duplicates Z: 53 51.832 2.396 0.849 0.508 0.923 0.731 CB 1.743 53 residues pruned to eliminate duplicates Z: 85 71.207 2.399 0.814 0.593 0.952 0.667 CB 1.715 85 residues pruned to eliminate duplicates Z: 43 34.582 2.348 0.661 0.400 0.857 0.524 CB 1.775 43 residues pruned to eliminate duplicates Z: 96 79.051 2.467 0.963 0.558 0.905 0.674 CB 1.748 96 residues pruned to eliminate duplicates Z: 15 13.472 1.777 0.197 0.919 1.000 0.857 CB 1.193 15 residues pruned to eliminate duplicates Z: 9 4.180 1.718 -0.147 0.371 0.875 0.375 N 1.324 Z: 45 52.835 2.230 0.814 0.705 0.932 0.659 CB 1.752 45 residues pruned to eliminate duplicates Z: 11 20.698 1.971 0.592 0.928 1.000 0.900 CB 1.460 11 residues pruned to eliminate duplicates Z: 53 59.562 2.323 0.918 0.632 0.942 0.769 CB 1.738 53 residues pruned to eliminate duplicates Z: 15 15.006 2.253 0.672 0.416 0.714 0.571 CB 1.627 15 residues pruned to eliminate duplicates Z: 15 11.989 1.726 0.718 0.507 0.857 0.571 CB 1.251 6 residues pruned to eliminate duplicates Z: 9 7.086 1.717 0.427 0.603 0.875 0.750 CB 1.059 9 residues pruned to eliminate duplicates Z: 63 78.459 2.427 0.975 0.672 0.968 0.710 CB 1.833 69 residues pruned to eliminate duplicates Z: 12 4.368 1.755 0.322 0.133 0.636 0.364 CB 1.408 12 residues pruned to eliminate duplicates Z: 44 30.283 2.025 0.758 0.500 0.884 0.651 CB 1.468 44 residues pruned to eliminate duplicates Z: 27 40.894 2.337 0.768 0.684 0.962 0.769 CB 1.706 27 residues pruned to eliminate duplicates Z: 6 10.939 2.175 0.018 0.847 1.000 0.800 CA 1.640 6 residues pruned to eliminate duplicates Z: 19 26.860 2.076 0.446 0.868 1.000 0.889 CB 1.542 19 residues pruned to eliminate duplicates Z: 19 24.511 2.135 0.570 0.599 0.944 0.722 CB 1.660 19 residues pruned to eliminate duplicates Z: 6 9.697 1.608 0.526 0.804 1.000 0.600 CA 1.355 6 residues pruned to eliminate duplicates Z: 51 37.606 2.100 0.742 0.615 0.900 0.620 CB 1.449 51 residues pruned to eliminate duplicates Z: 22 67.713 2.402 1.169 0.923 1.000 0.857 CA 1.992 22 residues pruned to eliminate duplicates Z: 49 54.306 2.253 0.874 0.693 0.958 0.729 CB 1.623 49 residues pruned to eliminate duplicates Z: 29 24.209 2.157 0.610 0.467 0.857 0.571 CB 1.590 29 residues pruned to eliminate duplicates Z: 13 23.379 2.090 0.583 0.874 0.917 0.917 CA 1.620 13 residues pruned to eliminate duplicates Z: 27 23.223 2.043 0.705 0.598 0.885 0.654 CB 1.346 27 residues pruned to eliminate duplicates Z: 18 40.957 2.145 0.967 0.903 1.000 0.765 CB 1.679 18 residues pruned to eliminate duplicates Z: 13 19.248 1.856 0.834 0.917 0.917 0.917 CA 1.257 13 residues pruned to eliminate duplicates Z: 10 38.131 2.412 1.159 0.869 1.000 0.889 CA 1.783 10 residues pruned to eliminate duplicates Z: 11 15.513 2.064 0.432 0.659 0.900 0.800 CA 1.591 11 residues pruned to eliminate duplicates Z: 124 83.777 2.448 0.661 0.589 0.927 0.732 CB 1.839 124 residues pruned to eliminate duplicates Z: 6 3.838 1.512 0.494 0.282 0.800 0.600 N 1.215 Z: 10 23.665 2.169 0.819 0.635 1.000 1.000 CA 1.761 10 residues pruned to eliminate duplicates Z: 6 18.118 2.386 0.528 0.779 1.000 0.600 CA 1.736 6 residues pruned to eliminate duplicates Z: 57 40.244 2.211 0.529 0.551 0.964 0.661 CB 1.569 57 residues pruned to eliminate duplicates Z: 18 29.438 2.069 0.471 0.909 1.000 0.824 CB 1.665 18 residues pruned to eliminate duplicates Z: 78 71.371 2.477 0.802 0.554 0.948 0.662 CB 1.824 78 residues pruned to eliminate duplicates Z: 49 43.156 2.169 0.812 0.576 0.938 0.604 CB 1.572 49 residues pruned to eliminate duplicates Z: 16 14.800 2.131 0.519 0.351 0.867 0.467 CB 1.602 16 residues pruned to eliminate duplicates Z: 19 12.228 1.858 0.423 0.567 0.833 0.611 CB 1.226 19 residues pruned to eliminate duplicates Z: 44 26.247 2.055 0.872 0.437 0.814 0.581 CB 1.365 44 residues pruned to eliminate duplicates Z: 8 3.023 1.463 0.404 0.488 0.714 0.429 CB 0.788 Z: 17 57.151 2.593 0.751 0.953 1.000 1.000 CB 2.167 17 residues pruned to eliminate duplicates Z: 7 6.422 1.926 0.514 0.286 0.833 0.667 C 1.373 7 residues pruned to eliminate duplicates Z: 19 31.824 2.270 0.408 0.887 1.000 0.889 CB 1.692 19 residues pruned to eliminate duplicates Z: 18 27.477 1.839 0.825 0.941 1.000 0.765 CB 1.378 18 residues pruned to eliminate duplicates Z: 18 24.259 1.854 0.697 0.911 1.000 0.588 CB 1.325 18 residues pruned to eliminate duplicates Z: 20 39.042 2.479 0.857 0.588 0.947 0.684 CB 1.888 20 residues pruned to eliminate duplicates Z: 24 45.335 2.100 0.990 0.895 1.000 0.609 CB 1.621 24 residues pruned to eliminate duplicates Z: 17 16.485 1.845 0.119 0.924 1.000 0.688 CB 1.402 17 residues pruned to eliminate duplicates Z: 8 26.335 2.531 0.911 0.838 1.000 0.714 CB 1.538 8 residues pruned to eliminate duplicates Z: 49 55.851 2.318 0.779 0.655 0.938 0.792 CB 1.805 49 residues pruned to eliminate duplicates Z: 71 77.212 2.376 0.992 0.665 0.943 0.700 CB 1.776 71 residues pruned to eliminate duplicates Z: 9 20.782 1.980 1.364 0.693 0.875 0.750 C 1.504 9 residues pruned to eliminate duplicates Z: 9 20.345 2.102 0.478 0.895 1.000 1.000 CA 1.660 9 residues pruned to eliminate duplicates Z: 65 76.867 2.460 0.917 0.631 0.969 0.688 CB 1.860 65 residues pruned to eliminate duplicates Z: 23 73.483 2.580 1.181 0.891 0.955 0.864 CB 2.098 23 residues pruned to eliminate duplicates Z: 96 69.544 2.361 0.937 0.529 0.916 0.621 CB 1.656 96 residues pruned to eliminate duplicates Z: 48 46.771 2.454 0.863 0.480 0.851 0.638 CB 1.790 48 residues pruned to eliminate duplicates Z: 14 14.835 2.398 0.393 0.336 0.846 0.615 CB 1.741 14 residues pruned to eliminate duplicates Z: 23 15.503 1.963 0.589 0.372 0.773 0.591 CB 1.573 23 residues pruned to eliminate duplicates Z: 22 51.987 2.290 0.995 0.899 1.000 0.762 CB 1.775 22 residues pruned to eliminate duplicates Z: 15 20.041 2.321 0.631 0.471 0.929 0.714 CB 1.569 15 residues pruned to eliminate duplicates Z: 22 40.733 2.358 1.264 0.577 0.857 0.571 CB 1.803 22 residues pruned to eliminate duplicates Z: 32 18.447 1.933 0.297 0.627 0.935 0.742 CB 1.253 32 residues pruned to eliminate duplicates Z: 25 39.056 2.303 0.887 0.642 1.000 0.708 CB 1.606 25 residues pruned to eliminate duplicates Z: 16 28.391 2.333 0.863 0.483 1.000 0.800 CB 1.716 16 residues pruned to eliminate duplicates Z: 17 23.236 2.169 0.771 0.712 0.875 0.750 CB 1.426 17 residues pruned to eliminate duplicates Z: 67 78.817 2.387 1.005 0.672 0.970 0.697 CB 1.783 67 residues pruned to eliminate duplicates Z: 7 7.602 1.556 0.482 0.831 1.000 0.667 CA 1.011 Z: 44 80.316 2.501 1.198 0.735 0.930 0.767 CB 1.940 44 residues pruned to eliminate duplicates Z: 10 11.594 1.899 0.347 0.624 0.889 0.667 CA 1.513 10 residues pruned to eliminate duplicates Z: 18 24.731 2.489 0.657 0.377 0.882 0.647 CB 1.878 18 residues pruned to eliminate duplicates Z: 8 8.552 1.755 0.762 0.456 0.714 0.429 CB 1.530 8 residues pruned to eliminate duplicates Z: 76 47.410 2.236 0.547 0.499 0.947 0.613 CB 1.674 76 residues pruned to eliminate duplicates Z: 6 3.722 1.893 -0.061 0.292 1.000 0.800 CB 1.182 12 residues pruned to eliminate duplicates Z: 44 36.711 2.218 0.741 0.481 0.907 0.628 CB 1.629 44 residues pruned to eliminate duplicates Z: 9 11.142 2.053 0.197 0.726 0.875 0.500 CA 1.494 9 residues pruned to eliminate duplicates Z: 66 61.270 2.430 0.822 0.540 0.908 0.708 CB 1.818 66 residues pruned to eliminate duplicates Z: 51 45.810 2.320 0.756 0.489 0.960 0.600 CB 1.675 51 residues pruned to eliminate duplicates Z: 158 92.279 2.387 0.768 0.564 0.930 0.688 CB 1.764 158 residues pruned to eliminate duplicates Z: 16 23.711 2.176 0.824 0.520 0.867 0.600 CA 1.745 16 residues pruned to eliminate duplicates Z: 23 47.470 2.205 1.073 0.894 0.955 0.545 CB 1.664 23 residues pruned to eliminate duplicates Z: 20 20.438 1.936 0.776 0.530 0.947 0.632 CB 1.397 20 residues pruned to eliminate duplicates Z: 13 22.806 2.353 0.364 0.812 0.917 0.667 CA 1.706 13 residues pruned to eliminate duplicates Z: 12 22.792 2.215 0.276 0.917 1.000 1.000 CA 1.715 12 residues pruned to eliminate duplicates Z: 17 24.403 2.144 0.289 0.919 1.000 1.000 CB 1.556 17 residues pruned to eliminate duplicates Z: 32 35.808 2.239 0.711 0.553 0.935 0.645 CB 1.704 32 residues pruned to eliminate duplicates Z: 40 72.131 2.486 1.104 0.704 0.949 0.769 CB 1.934 40 residues pruned to eliminate duplicates Z: 46 43.158 2.351 0.761 0.499 0.911 0.689 CB 1.707 46 residues pruned to eliminate duplicates Z: 87 92.556 2.518 0.905 0.634 0.965 0.744 CB 1.902 87 residues pruned to eliminate duplicates Z: 46 29.665 2.071 0.644 0.579 0.867 0.667 CB 1.388 46 residues pruned to eliminate duplicates Z: 10 15.145 1.741 0.762 0.779 1.000 1.000 CB 1.287 10 residues pruned to eliminate duplicates Z: 80 60.797 2.305 0.834 0.565 0.886 0.646 CB 1.715 80 residues pruned to eliminate duplicates Z: 59 46.587 2.300 0.549 0.529 0.931 0.672 CB 1.791 59 residues pruned to eliminate duplicates Z: 8 14.908 1.933 0.730 0.612 1.000 1.000 CA 1.516 8 residues pruned to eliminate duplicates Z: 12 9.983 1.775 0.721 0.595 0.818 0.545 CB 1.100 12 residues pruned to eliminate duplicates Z: 8 17.218 2.250 0.171 0.865 1.000 1.000 CB 1.810 8 residues pruned to eliminate duplicates Z: 7 9.090 1.736 0.839 0.552 0.833 0.667 CB 1.325 7 residues pruned to eliminate duplicates Z: 49 67.942 2.390 1.120 0.711 0.917 0.771 CB 1.743 49 residues pruned to eliminate duplicates Z: 9 21.265 2.061 0.926 0.728 0.875 0.625 CA 1.762 9 residues pruned to eliminate duplicates Z: 105 77.028 2.430 0.912 0.549 0.923 0.606 CB 1.679 105 residues pruned to eliminate duplicates Z: 15 20.094 1.754 0.728 0.831 1.000 0.786 CA 1.332 15 residues pruned to eliminate duplicates Z: 8 21.048 2.200 0.696 0.729 1.000 0.714 C 1.734 8 residues pruned to eliminate duplicates Z: 24 57.611 2.526 1.052 0.721 0.957 0.739 CB 1.985 24 residues pruned to eliminate duplicates Z: 51 63.759 2.344 0.945 0.643 0.960 0.720 CB 1.802 51 residues pruned to eliminate duplicates Z: 10 18.329 2.294 0.581 0.540 0.889 0.889 CB 1.823 10 residues pruned to eliminate duplicates Z: 15 20.939 2.036 0.463 0.634 1.000 0.643 CA 1.656 15 residues pruned to eliminate duplicates Z: 11 6.014 1.883 0.529 0.414 0.800 0.500 CB 0.904 11 residues pruned to eliminate duplicates Z: 8 4.242 2.120 0.389 0.440 0.571 0.429 CB 1.014 8 residues pruned to eliminate duplicates Z: 17 44.514 2.452 0.894 0.869 0.875 0.812 C 2.000 17 residues pruned to eliminate duplicates Z: 49 56.811 2.302 1.079 0.622 0.896 0.688 CB 1.704 49 residues pruned to eliminate duplicates Z: 14 22.860 2.021 0.919 0.598 1.000 0.615 CB 1.490 14 residues pruned to eliminate duplicates Z: 18 13.335 2.066 0.581 0.462 0.765 0.471 CB 1.346 18 residues pruned to eliminate duplicates Z: 112 66.309 2.323 0.837 0.550 0.883 0.667 CB 1.592 112 residues pruned to eliminate duplicates Z: 6 8.676 1.716 0.313 0.854 1.000 0.600 CA 1.271 6 residues pruned to eliminate duplicates Z: 6 11.042 2.117 0.127 0.828 1.000 0.800 CA 1.558 6 residues pruned to eliminate duplicates Z: 54 44.534 2.342 0.817 0.404 0.906 0.604 CB 1.757 54 residues pruned to eliminate duplicates Z: 19 17.998 1.801 0.505 0.855 1.000 0.833 CB 1.155 19 residues pruned to eliminate duplicates Z: 40 36.161 2.427 0.670 0.494 0.846 0.615 CB 1.698 40 residues pruned to eliminate duplicates Z: 30 38.950 2.390 0.718 0.559 0.897 0.655 CB 1.856 30 residues pruned to eliminate duplicates Z: 19 17.484 2.101 0.381 0.475 0.944 0.667 CB 1.542 19 residues pruned to eliminate duplicates Z: 19 10.486 1.766 0.388 0.487 0.833 0.611 CB 1.225 19 residues pruned to eliminate duplicates Z: 35 47.621 2.558 0.936 0.528 0.912 0.618 CB 1.760 35 residues pruned to eliminate duplicates Z: 26 25.365 2.081 0.730 0.563 0.920 0.600 CB 1.440 26 residues pruned to eliminate duplicates Z: 9 13.511 1.935 0.419 0.823 0.875 0.750 CA 1.503 9 residues pruned to eliminate duplicates Z: 34 44.956 2.466 0.817 0.533 0.939 0.788 CB 1.801 34 residues pruned to eliminate duplicates Z: 28 29.799 2.223 0.683 0.544 0.889 0.630 CB 1.653 28 residues pruned to eliminate duplicates Z: 37 35.153 2.153 0.761 0.606 0.944 0.750 CB 1.480 37 residues pruned to eliminate duplicates Z: 8 17.560 2.260 0.153 0.875 1.000 1.000 CB 1.851 8 residues pruned to eliminate duplicates Z: 9 12.029 2.186 0.828 0.390 0.750 0.625 CA 1.595 9 residues pruned to eliminate duplicates Z: 13 19.030 1.890 0.742 0.817 0.917 0.500 CA 1.381 13 residues pruned to eliminate duplicates 6 1.144 1.475 0.295 0.100 0.400 0.400 O 1.116 ? Z: 20 39.074 2.362 0.813 0.657 0.947 0.632 CB 1.910 20 residues pruned to eliminate duplicates Z: 30 20.002 1.995 0.310 0.543 0.966 0.655 CB 1.412 30 residues pruned to eliminate duplicates Z: 9 8.311 1.372 0.827 0.850 0.875 0.625 CA 0.992 9 residues pruned to eliminate duplicates Z: 12 17.349 2.352 0.324 0.530 1.000 0.818 CB 1.630 12 residues pruned to eliminate duplicates Z: 49 49.013 2.148 0.814 0.671 0.958 0.729 CB 1.618 49 residues pruned to eliminate duplicates Z: 13 33.822 2.128 0.895 0.937 1.000 0.833 CA 1.686 13 residues pruned to eliminate duplicates Z: 19 21.469 2.196 0.606 0.508 0.833 0.556 CB 1.707 19 residues pruned to eliminate duplicates Z: 9 11.579 1.892 0.275 0.810 0.875 0.375 CB 1.481 9 residues pruned to eliminate duplicates Z: 13 24.730 1.878 0.864 0.941 1.000 0.917 CA 1.415 13 residues pruned to eliminate duplicates Z: 11 10.056 2.087 0.472 0.371 0.800 0.500 CA 1.486 11 residues pruned to eliminate duplicates Z: 12 22.748 1.860 0.952 0.928 1.000 0.818 CB 1.323 12 residues pruned to eliminate duplicates Z: 7 8.333 1.650 0.310 0.797 1.000 0.667 CA 1.213 7 residues pruned to eliminate duplicates Z: 11 15.927 2.227 0.456 0.687 1.000 0.800 CA 1.308 11 residues pruned to eliminate duplicates Z: 52 37.948 2.321 0.665 0.450 0.882 0.490 CB 1.641 52 residues pruned to eliminate duplicates Z: 16 14.027 1.855 -0.026 0.921 1.000 1.000 CB 1.412 16 residues pruned to eliminate duplicates Z: 12 29.383 2.103 1.071 0.867 0.909 0.727 CB 1.636 12 residues pruned to eliminate duplicates Z: 23 61.261 2.575 0.755 0.935 1.000 0.955 CB 2.015 23 residues pruned to eliminate duplicates Z: 25 38.176 2.246 0.681 0.678 0.958 0.833 CA 1.829 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.818 1.427 0.498 0.365 1.000 0.800 CA 1.165 6 residues pruned to eliminate duplicates Z: 13 35.135 2.340 0.963 0.757 0.917 0.667 CB 1.916 13 residues pruned to eliminate duplicates Z: 25 37.448 2.434 0.994 0.510 0.875 0.458 CB 1.781 25 residues pruned to eliminate duplicates Z: 109 80.793 2.391 0.854 0.556 0.954 0.611 CB 1.741 109 residues pruned to eliminate duplicates Z: 30 31.414 2.402 0.794 0.478 0.828 0.621 CB 1.673 30 residues pruned to eliminate duplicates Z: 108 85.441 2.440 0.898 0.554 0.935 0.673 CB 1.810 108 residues pruned to eliminate duplicates Z: 71 60.334 2.436 0.853 0.494 0.914 0.514 CB 1.759 71 residues pruned to eliminate duplicates Z: 79 73.820 2.387 0.899 0.603 0.962 0.705 CB 1.738 79 residues pruned to eliminate duplicates Z: 127 73.834 2.315 0.719 0.585 0.913 0.651 CB 1.669 127 residues pruned to eliminate duplicates Z: 15 9.706 1.932 0.309 0.345 0.857 0.286 CB 1.416 15 residues pruned to eliminate duplicates Z: 15 7.252 1.956 0.123 0.295 0.857 0.429 CB 1.295 15 residues pruned to eliminate duplicates Z: 77 61.062 2.419 0.790 0.480 0.934 0.592 CB 1.765 77 residues pruned to eliminate duplicates Z: 108 84.769 2.402 0.848 0.589 0.963 0.682 CB 1.761 108 residues pruned to eliminate duplicates Z: 129 82.866 2.352 0.819 0.571 0.930 0.664 CB 1.720 129 residues pruned to eliminate duplicates Z: 30 33.916 2.496 0.779 0.477 0.828 0.517 CB 1.755 30 residues pruned to eliminate duplicates Z: 73 58.903 2.420 0.794 0.519 0.931 0.653 CB 1.687 73 residues pruned to eliminate duplicates Z: 35 42.202 2.465 0.700 0.532 0.941 0.647 CB 1.779 35 residues pruned to eliminate duplicates Z: 67 41.433 2.260 0.518 0.529 0.909 0.591 CB 1.590 67 residues pruned to eliminate duplicates Z: 68 38.808 2.242 0.479 0.525 0.896 0.582 CB 1.557 68 residues pruned to eliminate duplicates Z: 43 46.706 2.464 0.702 0.479 0.976 0.595 CB 1.797 43 residues pruned to eliminate duplicates Z: 16 13.353 2.190 0.456 0.360 0.933 0.600 CB 1.347 16 residues pruned to eliminate duplicates Z: 33 49.189 2.559 0.914 0.545 0.906 0.625 CB 1.875 33 residues pruned to eliminate duplicates Z: 68 39.628 2.216 0.506 0.530 0.881 0.672 CB 1.600 68 residues pruned to eliminate duplicates Z: 99 82.858 2.430 0.919 0.591 0.908 0.684 CB 1.812 99 residues pruned to eliminate duplicates Z: 44 39.884 2.387 0.746 0.460 0.884 0.581 CB 1.721 44 residues pruned to eliminate duplicates Z: 33 33.603 2.397 0.691 0.501 0.844 0.562 CB 1.736 33 residues pruned to eliminate duplicates Z: 41 40.131 2.417 0.654 0.483 0.925 0.675 CB 1.746 41 residues pruned to eliminate duplicates Z: 34 38.104 2.454 0.742 0.524 0.848 0.606 CB 1.785 34 residues pruned to eliminate duplicates Z: 64 41.474 2.297 0.436 0.541 0.921 0.651 CB 1.652 64 residues pruned to eliminate duplicates Z: 88 59.598 2.354 0.720 0.551 0.885 0.632 CB 1.696 88 residues pruned to eliminate duplicates Z: 43 46.624 2.465 0.730 0.487 0.952 0.667 CB 1.794 43 residues pruned to eliminate duplicates Z: 69 41.494 2.272 0.506 0.505 0.926 0.647 CB 1.579 69 residues pruned to eliminate duplicates Z: 98 88.368 2.454 0.897 0.621 0.959 0.660 CB 1.793 98 residues pruned to eliminate duplicates Z: 43 46.603 2.450 0.666 0.506 0.952 0.595 CB 1.839 43 residues pruned to eliminate duplicates Z: 42 49.467 2.491 0.796 0.511 0.927 0.756 CB 1.842 42 residues pruned to eliminate duplicates Z: 37 46.406 2.463 0.812 0.514 0.944 0.694 CB 1.808 37 residues pruned to eliminate duplicates Z: 26 49.024 2.603 0.850 0.574 0.960 0.640 CB 1.974 26 residues pruned to eliminate duplicates Z: 33 39.261 2.422 0.784 0.549 0.938 0.594 CB 1.633 33 residues pruned to eliminate duplicates Z: 67 42.410 2.248 0.531 0.523 0.924 0.591 CB 1.605 67 residues pruned to eliminate duplicates Z: 67 60.015 2.427 0.843 0.498 0.924 0.591 CB 1.790 67 residues pruned to eliminate duplicates Z: 54 56.058 2.495 0.814 0.549 0.906 0.604 CB 1.791 54 residues pruned to eliminate duplicates Z: 35 45.869 2.519 0.737 0.540 0.941 0.706 CB 1.836 35 residues pruned to eliminate duplicates Z: 108 88.698 2.421 0.939 0.588 0.935 0.682 CB 1.796 108 residues pruned to eliminate duplicates Z: 39 47.065 2.463 0.815 0.525 0.947 0.658 CB 1.759 39 residues pruned to eliminate duplicates Z: 41 42.080 2.434 0.820 0.511 0.900 0.650 CB 1.650 41 residues pruned to eliminate duplicates Z: 37 19.562 2.031 0.289 0.474 0.889 0.583 CB 1.438 37 residues pruned to eliminate duplicates Z: 65 43.896 2.260 0.570 0.529 0.922 0.656 CB 1.631 65 residues pruned to eliminate duplicates Z: 113 75.917 2.390 0.760 0.575 0.929 0.652 CB 1.709 113 residues pruned to eliminate duplicates Z: 130 77.898 2.355 0.707 0.592 0.907 0.667 CB 1.723 130 residues pruned to eliminate duplicates Z: 65 45.630 2.258 0.600 0.557 0.938 0.656 CB 1.594 65 residues pruned to eliminate duplicates Z: 44 52.571 2.471 0.835 0.520 0.977 0.698 CB 1.774 44 residues pruned to eliminate duplicates Z: 117 83.774 2.374 0.844 0.609 0.931 0.716 CB 1.721 117 residues pruned to eliminate duplicates Z: 21 16.954 2.068 0.346 0.570 0.900 0.700 CB 1.415 21 residues pruned to eliminate duplicates Z: 53 46.689 2.382 0.659 0.546 0.923 0.750 CB 1.697 53 residues pruned to eliminate duplicates Z: 38 22.625 1.999 0.412 0.550 0.919 0.649 CB 1.365 38 residues pruned to eliminate duplicates Z: 35 22.274 1.949 0.452 0.586 0.912 0.676 CB 1.363 35 residues pruned to eliminate duplicates Z: 36 25.709 2.104 0.383 0.593 0.914 0.771 CB 1.495 36 residues pruned to eliminate duplicates Z: 79 50.458 2.252 0.656 0.551 0.897 0.718 CB 1.624 79 residues pruned to eliminate duplicates Z: 23 15.826 1.890 0.154 0.719 0.909 0.864 CB 1.396 23 residues pruned to eliminate duplicates Z: 24 13.615 1.867 0.152 0.644 0.870 0.739 CB 1.328 24 residues pruned to eliminate duplicates Z: 39 25.458 1.945 0.576 0.493 0.921 0.605 CB 1.473 39 residues pruned to eliminate duplicates Z: 21 16.915 1.966 0.242 0.728 0.900 0.750 CB 1.402 21 residues pruned to eliminate duplicates Z: 21 14.665 1.918 0.122 0.717 0.900 0.650 CB 1.391 21 residues pruned to eliminate duplicates Z: 35 19.507 1.948 0.357 0.534 0.882 0.618 CB 1.387 35 residues pruned to eliminate duplicates Z: 67 44.221 2.216 0.575 0.566 0.909 0.682 CB 1.609 67 residues pruned to eliminate duplicates Z: 43 24.366 1.981 0.495 0.546 0.929 0.667 CB 1.307 43 residues pruned to eliminate duplicates Z: 30 23.177 1.970 0.447 0.637 0.931 0.621 CB 1.426 30 residues pruned to eliminate duplicates Z: 35 19.315 1.910 0.318 0.518 0.882 0.588 CB 1.465 35 residues pruned to eliminate duplicates Z: 37 22.180 1.946 0.358 0.581 0.972 0.583 CB 1.331 37 residues pruned to eliminate duplicates Z: 25 22.064 1.911 0.531 0.671 0.958 0.667 CB 1.372 25 residues pruned to eliminate duplicates Z: 64 48.949 2.226 0.678 0.582 0.937 0.683 CB 1.629 64 residues pruned to eliminate duplicates Z: 8 3.140 1.743 0.003 0.414 0.714 0.286 CB 1.040 8 residues pruned to eliminate duplicates Z: 24 21.883 1.883 0.586 0.651 0.957 0.522 CB 1.389 24 residues pruned to eliminate duplicates Z: 57 34.727 2.052 0.603 0.616 0.911 0.607 CB 1.388 57 residues pruned to eliminate duplicates Z: 30 19.717 1.803 0.438 0.577 0.931 0.414 CB 1.408 30 residues pruned to eliminate duplicates Z: 24 22.780 1.923 0.630 0.667 0.913 0.522 CB 1.422 24 residues pruned to eliminate duplicates Z: 24 21.678 1.920 0.570 0.638 0.913 0.652 CB 1.442 24 residues pruned to eliminate duplicates Z: 7 3.736 1.723 0.283 0.213 0.833 0.667 CB 1.161 7 residues pruned to eliminate duplicates Z: 30 28.239 2.088 0.673 0.551 0.931 0.655 CB 1.534 30 residues pruned to eliminate duplicates Z: 26 22.808 2.111 0.710 0.594 0.840 0.560 CB 1.375 26 residues pruned to eliminate duplicates Z: 26 28.981 2.099 0.804 0.583 0.920 0.640 CB 1.536 26 residues pruned to eliminate duplicates Z: 38 40.844 2.135 0.982 0.592 0.973 0.649 CB 1.494 37 residues pruned to eliminate duplicates Z: 8 5.736 1.832 0.744 0.421 0.714 0.429 CB 1.031 8 residues pruned to eliminate duplicates Z: 19 27.617 2.192 0.620 0.705 1.000 0.611 CB 1.521 19 residues pruned to eliminate duplicates Z: 21 35.364 2.144 0.934 0.719 1.000 0.700 CB 1.565 21 residues pruned to eliminate duplicates Z: 49 33.000 2.015 0.650 0.627 0.917 0.583 CB 1.386 49 residues pruned to eliminate duplicates Z: 20 30.278 2.124 0.740 0.682 1.000 0.737 CB 1.590 20 residues pruned to eliminate duplicates Z: 82 56.656 2.305 0.836 0.528 0.877 0.654 CB 1.651 82 residues pruned to eliminate duplicates Z: 38 38.830 2.189 0.871 0.582 0.919 0.730 CB 1.567 38 residues pruned to eliminate duplicates Z: 28 26.844 2.086 0.655 0.562 0.963 0.741 CB 1.464 28 residues pruned to eliminate duplicates Z: 21 30.252 2.161 0.842 0.640 0.950 0.800 CB 1.569 21 residues pruned to eliminate duplicates Z: 30 24.694 1.979 0.772 0.519 0.862 0.690 CB 1.489 30 residues pruned to eliminate duplicates Z: 65 45.699 2.094 0.767 0.566 0.969 0.656 CB 1.495 65 residues pruned to eliminate duplicates Z: 21 26.483 2.057 0.678 0.653 1.000 0.800 CB 1.489 21 residues pruned to eliminate duplicates Z: 29 28.093 2.121 0.698 0.569 0.893 0.643 CB 1.544 29 residues pruned to eliminate duplicates Z: 25 29.232 2.179 0.733 0.615 0.917 0.833 CB 1.546 25 residues pruned to eliminate duplicates Z: 25 30.531 2.139 0.841 0.604 0.917 0.750 CB 1.564 25 residues pruned to eliminate duplicates Z: 27 24.080 2.066 0.692 0.552 0.885 0.808 CB 1.451 27 residues pruned to eliminate duplicates Z: 27 33.568 2.159 0.779 0.620 0.923 0.808 CB 1.659 27 residues pruned to eliminate duplicates Z: 30 24.072 2.089 0.670 0.523 0.828 0.690 CB 1.513 30 residues pruned to eliminate duplicates Z: 25 30.264 2.111 0.734 0.595 0.958 0.750 CB 1.609 25 residues pruned to eliminate duplicates Z: 25 29.085 2.078 0.897 0.508 0.958 0.792 CB 1.558 25 residues pruned to eliminate duplicates Z: 36 21.078 2.041 0.622 0.429 0.857 0.600 CB 1.352 36 residues pruned to eliminate duplicates Z: 27 27.605 2.041 0.809 0.541 0.885 0.692 CB 1.592 27 residues pruned to eliminate duplicates Z: 73 62.201 2.367 0.739 0.612 0.889 0.667 CB 1.803 73 residues pruned to eliminate duplicates Z: 64 76.003 2.432 0.866 0.669 0.952 0.667 CB 1.896 64 residues pruned to eliminate duplicates Z: 64 74.855 2.443 0.858 0.674 0.937 0.683 CB 1.889 64 residues pruned to eliminate duplicates Z: 50 50.881 2.260 0.828 0.683 0.898 0.714 CB 1.656 50 residues pruned to eliminate duplicates Z: 12 13.738 2.074 0.651 0.517 0.909 0.636 CB 1.308 11 residues pruned to eliminate duplicates Z: 6 4.560 1.743 0.490 0.300 1.000 0.600 CA 0.981 6 residues pruned to eliminate duplicates Z: 70 63.902 2.371 0.780 0.643 0.913 0.667 CB 1.747 70 residues pruned to eliminate duplicates Z: 82 64.856 2.395 0.798 0.577 0.914 0.704 CB 1.700 82 residues pruned to eliminate duplicates Z: 65 68.628 2.445 0.792 0.648 0.922 0.703 CB 1.849 65 residues pruned to eliminate duplicates Z: 108 82.182 2.425 0.849 0.574 0.925 0.682 CB 1.784 108 residues pruned to eliminate duplicates Z: 99 74.722 2.440 0.764 0.586 0.898 0.633 CB 1.798 99 residues pruned to eliminate duplicates Z: 137 73.100 2.306 0.681 0.565 0.919 0.662 CB 1.653 137 residues pruned to eliminate duplicates Z: 131 80.543 2.342 0.729 0.589 0.938 0.654 CB 1.706 131 residues pruned to eliminate duplicates Z: 34 53.014 2.272 0.943 0.757 0.970 0.818 CB 1.716 34 residues pruned to eliminate duplicates Z: 97 89.597 2.470 0.929 0.619 0.927 0.677 CB 1.850 97 residues pruned to eliminate duplicates Z: 64 76.280 2.437 0.907 0.640 0.968 0.714 CB 1.874 64 residues pruned to eliminate duplicates Z: 108 81.592 2.422 0.793 0.589 0.935 0.654 CB 1.785 108 residues pruned to eliminate duplicates Z: 46 51.188 2.290 0.748 0.655 0.956 0.778 CB 1.727 46 residues pruned to eliminate duplicates Z: 44 39.381 2.259 0.698 0.581 0.907 0.698 CB 1.597 44 residues pruned to eliminate duplicates Z: 106 80.875 2.434 0.810 0.575 0.933 0.705 CB 1.785 106 residues pruned to eliminate duplicates Z: 65 75.581 2.452 0.882 0.659 0.953 0.719 CB 1.853 65 residues pruned to eliminate duplicates Z: 65 74.792 2.432 0.957 0.652 0.922 0.688 CB 1.849 65 residues pruned to eliminate duplicates Z: 65 75.800 2.446 0.911 0.665 0.938 0.656 CB 1.855 65 residues pruned to eliminate duplicates Z: 129 83.721 2.365 0.745 0.587 0.953 0.688 CB 1.731 129 residues pruned to eliminate duplicates Z: 80 71.547 2.435 0.872 0.588 0.911 0.658 CB 1.781 80 residues pruned to eliminate duplicates Z: 128 86.614 2.365 0.787 0.592 0.961 0.677 CB 1.734 129 residues pruned to eliminate duplicates Z: 22 60.308 2.420 1.085 0.884 0.952 0.857 CB 1.979 22 residues pruned to eliminate duplicates Z: 65 73.597 2.433 0.887 0.659 0.969 0.734 CB 1.786 65 residues pruned to eliminate duplicates Z: 130 77.251 2.350 0.716 0.583 0.922 0.674 CB 1.689 130 residues pruned to eliminate duplicates Z: 62 78.717 2.440 0.985 0.674 0.951 0.754 CB 1.865 62 residues pruned to eliminate duplicates Z: 129 78.533 2.354 0.700 0.581 0.945 0.641 CB 1.697 129 residues pruned to eliminate duplicates Z: 118 80.543 2.405 0.752 0.585 0.932 0.718 CB 1.748 118 residues pruned to eliminate duplicates Z: 85 66.524 2.367 0.835 0.572 0.917 0.595 CB 1.700 85 residues pruned to eliminate duplicates Z: 46 61.150 2.310 1.043 0.659 0.956 0.711 CB 1.743 46 residues pruned to eliminate duplicates Z: 98 79.835 2.458 0.863 0.607 0.897 0.680 CB 1.783 98 residues pruned to eliminate duplicates Z: 41 45.833 2.466 0.764 0.507 0.925 0.575 CB 1.788 41 residues pruned to eliminate duplicates Z: 70 70.741 2.345 0.937 0.627 0.942 0.667 CB 1.766 70 residues pruned to eliminate duplicates Z: 34 47.419 2.485 0.822 0.551 0.909 0.606 CB 1.909 34 residues pruned to eliminate duplicates Z: 15 18.464 2.225 0.732 0.497 0.786 0.500 CA 1.635 15 residues pruned to eliminate duplicates Z: 66 68.272 2.403 0.827 0.646 0.938 0.723 CB 1.792 66 residues pruned to eliminate duplicates Z: 78 68.368 2.341 0.900 0.614 0.935 0.636 CB 1.681 78 residues pruned to eliminate duplicates Z: 33 47.654 2.520 0.928 0.565 0.875 0.594 CB 1.861 33 residues pruned to eliminate duplicates Z: 34 46.896 2.512 0.963 0.545 0.879 0.636 CB 1.803 34 residues pruned to eliminate duplicates Z: 66 72.824 2.389 0.890 0.653 0.938 0.708 CB 1.850 66 residues pruned to eliminate duplicates Z: 34 47.209 2.446 0.906 0.536 0.909 0.636 CB 1.871 34 residues pruned to eliminate duplicates Z: 26 46.703 2.556 1.009 0.504 0.920 0.480 CB 1.969 26 residues pruned to eliminate duplicates Z: 90 54.390 2.347 0.600 0.528 0.899 0.618 CB 1.661 90 residues pruned to eliminate duplicates Z: 34 48.322 2.477 0.847 0.534 0.939 0.667 CB 1.893 34 residues pruned to eliminate duplicates Z: 38 56.897 2.278 0.869 0.769 1.000 0.703 CB 1.731 38 residues pruned to eliminate duplicates Z: 38 55.070 2.263 0.919 0.760 0.973 0.649 CB 1.700 38 residues pruned to eliminate duplicates Z: 38 54.552 2.271 0.852 0.768 0.973 0.811 CB 1.728 38 residues pruned to eliminate duplicates Z: 37 60.076 2.323 0.898 0.784 1.000 0.750 CB 1.768 37 residues pruned to eliminate duplicates Z: 6 6.547 1.868 0.705 0.256 1.000 0.800 CA 1.215 6 residues pruned to eliminate duplicates Z: 45 55.374 2.254 0.816 0.701 0.977 0.705 CB 1.737 205 residues pruned to eliminate duplicates Z: 26 47.307 2.193 0.827 0.831 1.000 0.800 CA 1.776 26 residues pruned to eliminate duplicates Z: 32 60.099 2.312 0.972 0.800 0.968 0.806 CA 1.882 32 residues pruned to eliminate duplicates Z: 37 57.482 2.315 0.818 0.797 1.000 0.889 CB 1.755 37 residues pruned to eliminate duplicates Z: 38 57.649 2.274 0.860 0.784 1.000 0.811 CB 1.745 38 residues pruned to eliminate duplicates Z: 32 57.922 2.311 0.887 0.800 1.000 0.839 CB 1.835 32 residues pruned to eliminate duplicates Z: 37 59.178 2.311 0.901 0.793 1.000 0.833 CB 1.736 37 residues pruned to eliminate duplicates Z: 46 50.216 2.186 0.809 0.696 0.956 0.689 CB 1.656 46 residues pruned to eliminate duplicates Z: 38 53.252 2.253 0.840 0.760 0.973 0.730 CB 1.722 38 residues pruned to eliminate duplicates Z: 46 51.837 2.186 0.821 0.682 0.956 0.622 CB 1.718 46 residues pruned to eliminate duplicates Z: 38 54.810 2.270 0.897 0.765 0.973 0.676 CB 1.700 38 residues pruned to eliminate duplicates Z: 39 56.048 2.224 0.893 0.753 1.000 0.868 CB 1.723 39 residues pruned to eliminate duplicates Z: 37 60.033 2.311 0.936 0.797 1.000 0.806 CB 1.725 37 residues pruned to eliminate duplicates Z: 39 51.510 2.230 0.930 0.756 0.921 0.789 CB 1.678 39 residues pruned to eliminate duplicates Z: 45 61.165 2.241 0.939 0.716 1.000 0.727 CB 1.745 45 residues pruned to eliminate duplicates Z: 50 56.030 2.182 0.902 0.711 1.000 0.633 CB 1.592 50 residues pruned to eliminate duplicates Z: 33 60.258 2.257 1.057 0.772 0.969 0.688 CB 1.862 33 residues pruned to eliminate duplicates Z: 38 53.395 2.230 0.989 0.716 0.946 0.703 CB 1.720 38 residues pruned to eliminate duplicates Z: 32 59.057 2.278 1.055 0.792 0.968 0.677 CB 1.812 32 residues pruned to eliminate duplicates Z: 39 58.554 2.217 1.008 0.750 1.000 0.763 CB 1.707 39 residues pruned to eliminate duplicates Z: 38 61.060 2.250 1.059 0.781 1.000 0.784 CB 1.691 38 residues pruned to eliminate duplicates Z: 32 63.105 2.271 1.111 0.804 1.000 0.774 CB 1.814 32 residues pruned to eliminate duplicates Z: 32 63.877 2.289 1.245 0.795 0.935 0.581 CB 1.842 32 residues pruned to eliminate duplicates Z: 32 59.565 2.294 1.085 0.798 0.935 0.677 CA 1.842 32 residues pruned to eliminate duplicates Z: 65 76.436 2.430 1.063 0.666 0.891 0.594 CB 1.835 65 residues pruned to eliminate duplicates Z: 10 17.098 2.282 0.664 0.551 0.889 0.667 CA 1.607 10 residues pruned to eliminate duplicates Z: 65 61.010 2.459 0.840 0.545 0.922 0.641 CB 1.749 65 residues pruned to eliminate duplicates Z: 97 71.275 2.468 0.803 0.533 0.906 0.625 CB 1.747 97 residues pruned to eliminate duplicates Z: 40 45.261 2.429 0.910 0.490 0.872 0.538 CB 1.809 40 residues pruned to eliminate duplicates Z: 38 48.861 2.558 0.913 0.502 0.892 0.541 CB 1.838 38 residues pruned to eliminate duplicates Z: 10 17.854 2.317 0.676 0.520 0.889 0.667 CA 1.690 10 residues pruned to eliminate duplicates Z: 70 77.970 2.407 0.972 0.673 0.928 0.681 CB 1.818 70 residues pruned to eliminate duplicates Z: 68 50.054 2.354 0.810 0.484 0.925 0.567 CB 1.576 68 residues pruned to eliminate duplicates Z: 46 57.749 2.571 0.937 0.504 0.956 0.667 CB 1.802 46 residues pruned to eliminate duplicates Z: 82 74.881 2.425 0.931 0.604 0.926 0.654 CB 1.738 82 residues pruned to eliminate duplicates Z: 46 55.081 2.567 0.947 0.504 0.889 0.644 CB 1.841 46 residues pruned to eliminate duplicates Z: 47 55.959 2.519 0.951 0.490 0.957 0.609 CB 1.772 47 residues pruned to eliminate duplicates Z: 99 73.094 2.439 0.778 0.542 0.959 0.714 CB 1.704 99 residues pruned to eliminate duplicates Z: 42 51.853 2.532 0.929 0.547 0.878 0.659 CB 1.804 42 residues pruned to eliminate duplicates Z: 46 52.395 2.554 0.858 0.502 0.911 0.600 CB 1.803 46 residues pruned to eliminate duplicates Z: 45 56.486 2.539 0.934 0.517 0.932 0.568 CB 1.831 45 residues pruned to eliminate duplicates Z: 33 49.365 2.525 0.892 0.561 0.938 0.594 CB 1.836 33 residues pruned to eliminate duplicates Z: 31 48.600 2.542 0.865 0.541 0.933 0.633 CB 1.925 31 residues pruned to eliminate duplicates Z: 106 72.648 2.421 0.800 0.535 0.924 0.714 CB 1.701 106 residues pruned to eliminate duplicates Z: 46 57.447 2.559 0.920 0.507 0.933 0.667 CB 1.855 46 residues pruned to eliminate duplicates Z: 61 52.452 2.423 0.808 0.542 0.883 0.650 CB 1.680 61 residues pruned to eliminate duplicates Z: 45 51.148 2.524 0.812 0.512 0.955 0.614 CB 1.745 45 residues pruned to eliminate duplicates Z: 128 92.639 2.427 0.861 0.599 0.937 0.677 CB 1.767 128 residues pruned to eliminate duplicates Z: 98 70.659 2.468 0.716 0.547 0.928 0.649 CB 1.745 98 residues pruned to eliminate duplicates Z: 129 81.980 2.373 0.802 0.555 0.914 0.609 CB 1.757 129 residues pruned to eliminate duplicates Z: 30 55.476 2.582 1.028 0.542 0.966 0.621 CB 1.956 30 residues pruned to eliminate duplicates Z: 32 50.071 2.576 0.942 0.553 0.871 0.581 CB 1.961 32 residues pruned to eliminate duplicates Z: 76 59.229 2.429 0.754 0.497 0.920 0.613 CB 1.750 76 residues pruned to eliminate duplicates Z: 75 50.288 2.331 0.705 0.494 0.932 0.595 CB 1.586 75 residues pruned to eliminate duplicates Z: 7 13.808 2.167 0.955 0.439 0.833 0.833 CA 1.700 7 residues pruned to eliminate duplicates Z: 93 74.398 2.479 0.755 0.566 0.946 0.728 CB 1.767 93 residues pruned to eliminate duplicates Z: 97 66.589 2.417 0.808 0.535 0.896 0.635 CB 1.678 97 residues pruned to eliminate duplicates Z: 38 48.196 2.494 0.866 0.510 0.892 0.649 CB 1.890 38 residues pruned to eliminate duplicates Z: 78 74.362 2.425 0.859 0.598 0.948 0.649 CB 1.806 78 residues pruned to eliminate duplicates Z: 57 42.646 2.360 0.665 0.474 0.875 0.625 CB 1.700 57 residues pruned to eliminate duplicates Z: 15 17.731 2.350 0.531 0.372 0.929 0.714 CB 1.626 15 residues pruned to eliminate duplicates Z: 87 59.205 2.408 0.695 0.502 0.930 0.640 CB 1.678 87 residues pruned to eliminate duplicates Z: 98 68.819 2.428 0.728 0.527 0.938 0.701 CB 1.729 98 residues pruned to eliminate duplicates Z: 73 51.240 2.384 0.654 0.517 0.903 0.694 CB 1.668 73 residues pruned to eliminate duplicates Z: 47 53.235 2.505 0.827 0.484 0.957 0.674 CB 1.823 47 residues pruned to eliminate duplicates Z: 54 36.697 2.266 0.761 0.438 0.830 0.623 CB 1.623 54 residues pruned to eliminate duplicates Z: 48 41.995 2.288 0.886 0.502 0.915 0.617 CB 1.548 48 residues pruned to eliminate duplicates Z: 42 40.291 2.349 0.830 0.513 0.878 0.707 CB 1.646 42 residues pruned to eliminate duplicates Z: 71 53.966 2.350 0.703 0.515 0.943 0.686 CB 1.685 71 residues pruned to eliminate duplicates Z: 97 73.993 2.447 0.819 0.515 0.927 0.656 CB 1.803 97 residues pruned to eliminate duplicates Z: 100 68.204 2.423 0.691 0.539 0.939 0.697 CB 1.714 100 residues pruned to eliminate duplicates Z: 92 67.877 2.439 0.735 0.530 0.934 0.681 CB 1.747 92 residues pruned to eliminate duplicates Z: 75 60.697 2.431 0.831 0.510 0.905 0.635 CB 1.734 75 residues pruned to eliminate duplicates Z: 49 35.747 2.247 0.637 0.504 0.854 0.646 CB 1.637 49 residues pruned to eliminate duplicates Z: 31 31.035 2.258 0.762 0.542 0.867 0.733 CB 1.577 31 residues pruned to eliminate duplicates Z: 99 68.442 2.433 0.760 0.536 0.918 0.724 CB 1.696 99 residues pruned to eliminate duplicates Z: 98 76.435 2.461 0.803 0.550 0.938 0.732 CB 1.775 98 residues pruned to eliminate duplicates Z: 65 65.733 2.478 0.798 0.566 0.938 0.719 CB 1.847 65 residues pruned to eliminate duplicates Z: 106 75.897 2.349 0.856 0.580 0.924 0.695 CB 1.704 106 residues pruned to eliminate duplicates Z: 33 27.426 2.225 0.668 0.442 0.875 0.625 CB 1.584 33 residues pruned to eliminate duplicates Z: 69 57.019 2.382 0.780 0.568 0.941 0.706 CB 1.623 69 residues pruned to eliminate duplicates Z: 98 68.615 2.430 0.740 0.524 0.928 0.660 CB 1.733 98 residues pruned to eliminate duplicates Z: 96 67.779 2.439 0.681 0.545 0.937 0.653 CB 1.733 96 residues pruned to eliminate duplicates Z: 94 66.433 2.457 0.706 0.491 0.935 0.677 CB 1.773 94 residues pruned to eliminate duplicates Z: 36 36.334 2.313 0.737 0.504 0.914 0.657 CB 1.665 36 residues pruned to eliminate duplicates Z: 44 41.936 2.357 0.587 0.565 0.977 0.698 CB 1.643 44 residues pruned to eliminate duplicates Z: 40 32.912 2.308 0.694 0.443 0.872 0.590 CB 1.640 40 residues pruned to eliminate duplicates Z: 39 32.294 2.300 0.491 0.504 0.921 0.711 CB 1.651 39 residues pruned to eliminate duplicates Z: 37 39.618 2.352 0.597 0.545 1.000 0.722 CB 1.681 37 residues pruned to eliminate duplicates Z: 48 38.000 2.264 0.666 0.499 0.894 0.596 CB 1.646 48 residues pruned to eliminate duplicates Z: 75 68.638 2.465 0.886 0.517 0.932 0.649 CB 1.810 75 residues pruned to eliminate duplicates Z: 33 44.884 2.441 0.793 0.595 0.938 0.719 CB 1.766 33 residues pruned to eliminate duplicates Z: 44 46.635 2.413 0.751 0.569 0.907 0.744 CB 1.736 44 residues pruned to eliminate duplicates Z: 68 52.388 2.385 0.693 0.519 0.925 0.701 CB 1.681 68 residues pruned to eliminate duplicates Z: 36 41.279 2.458 0.656 0.574 0.914 0.771 CB 1.745 36 residues pruned to eliminate duplicates Z: 37 38.632 2.377 0.712 0.532 0.917 0.694 CB 1.673 37 residues pruned to eliminate duplicates Z: 68 64.606 2.476 0.966 0.493 0.910 0.687 CB 1.793 68 residues pruned to eliminate duplicates Z: 98 70.305 2.413 0.753 0.539 0.928 0.660 CB 1.750 98 residues pruned to eliminate duplicates Z: 94 74.703 2.463 0.779 0.566 0.935 0.731 CB 1.772 94 residues pruned to eliminate duplicates Z: 64 41.006 2.295 0.548 0.486 0.905 0.603 CB 1.630 64 residues pruned to eliminate duplicates Z: 38 37.857 2.353 0.671 0.552 0.919 0.703 CB 1.638 38 residues pruned to eliminate duplicates Z: 38 37.194 2.320 0.610 0.494 0.919 0.649 CB 1.794 38 residues pruned to eliminate duplicates Z: 37 37.126 2.346 0.586 0.555 0.944 0.667 CB 1.669 37 residues pruned to eliminate duplicates Z: 65 57.278 2.398 0.738 0.561 0.969 0.719 CB 1.673 65 residues pruned to eliminate duplicates Z: 36 42.497 2.384 0.771 0.554 0.971 0.571 CB 1.662 36 residues pruned to eliminate duplicates Z: 38 49.106 2.496 0.845 0.561 0.946 0.703 CB 1.746 38 residues pruned to eliminate duplicates Z: 94 68.585 2.377 0.873 0.498 0.925 0.570 CB 1.730 94 residues pruned to eliminate duplicates Z: 24 32.136 2.392 0.687 0.686 0.913 0.609 CB 1.534 24 residues pruned to eliminate duplicates Z: 22 38.781 2.421 0.847 0.711 0.905 0.667 CB 1.728 22 residues pruned to eliminate duplicates Z: 99 79.196 2.459 0.918 0.546 0.918 0.673 CB 1.766 99 residues pruned to eliminate duplicates Z: 22 43.943 2.480 0.802 0.698 1.000 0.714 CB 1.790 22 residues pruned to eliminate duplicates Z: 72 64.134 2.371 0.925 0.538 0.944 0.648 CB 1.703 72 residues pruned to eliminate duplicates Z: 37 51.080 2.433 0.977 0.562 0.972 0.639 CB 1.714 37 residues pruned to eliminate duplicates Z: 38 44.100 2.415 0.799 0.536 0.919 0.514 CB 1.752 38 residues pruned to eliminate duplicates Z: 128 94.765 2.423 0.919 0.601 0.913 0.677 CB 1.799 128 residues pruned to eliminate duplicates Z: 55 37.225 2.215 0.651 0.484 0.870 0.630 CB 1.616 55 residues pruned to eliminate duplicates Z: 37 39.037 2.384 0.823 0.517 0.917 0.639 CB 1.605 37 residues pruned to eliminate duplicates Z: 65 61.434 2.404 0.883 0.569 0.953 0.656 CB 1.665 65 residues pruned to eliminate duplicates Z: 63 64.775 2.403 0.969 0.612 0.935 0.710 CB 1.672 63 residues pruned to eliminate duplicates Z: 75 64.496 2.366 0.954 0.551 0.905 0.649 CB 1.704 75 residues pruned to eliminate duplicates Z: 42 57.978 2.411 0.966 0.675 0.951 0.634 CB 1.710 42 residues pruned to eliminate duplicates Z: 122 87.476 2.465 0.928 0.564 0.901 0.719 CB 1.746 122 residues pruned to eliminate duplicates Z: 27 36.561 2.383 0.830 0.572 0.923 0.769 CB 1.662 27 residues pruned to eliminate duplicates Z: 84 75.211 2.434 0.890 0.582 0.952 0.687 CB 1.742 84 residues pruned to eliminate duplicates Z: 21 34.528 2.392 0.713 0.638 0.950 0.650 CB 1.742 21 residues pruned to eliminate duplicates Z: 124 88.572 2.440 0.912 0.556 0.927 0.675 CB 1.749 124 residues pruned to eliminate duplicates Z: 100 67.589 2.354 0.868 0.535 0.899 0.657 CB 1.661 100 residues pruned to eliminate duplicates Z: 101 67.418 2.381 0.879 0.518 0.880 0.540 CB 1.682 101 residues pruned to eliminate duplicates Z: 98 63.856 2.338 0.848 0.525 0.887 0.588 CB 1.651 98 residues pruned to eliminate duplicates Z: 43 42.796 2.318 1.026 0.522 0.857 0.595 CB 1.606 43 residues pruned to eliminate duplicates Z: 22 32.623 2.350 0.938 0.597 0.857 0.667 CB 1.662 22 residues pruned to eliminate duplicates Z: 21 38.684 2.384 1.014 0.643 0.900 0.650 CB 1.751 21 residues pruned to eliminate duplicates Z: 60 57.355 2.425 0.942 0.586 0.915 0.627 CB 1.596 60 residues pruned to eliminate duplicates Z: 22 33.138 2.305 0.798 0.610 0.952 0.667 CB 1.651 22 residues pruned to eliminate duplicates Z: 109 77.263 2.409 0.917 0.539 0.907 0.694 CB 1.707 109 residues pruned to eliminate duplicates Z: 137 92.455 2.436 0.951 0.557 0.919 0.625 CB 1.716 137 residues pruned to eliminate duplicates Z: 22 34.452 2.323 0.968 0.624 0.905 0.619 CB 1.616 22 residues pruned to eliminate duplicates Z: 27 30.654 2.311 0.872 0.558 0.846 0.577 CB 1.553 27 residues pruned to eliminate duplicates Z: 26 36.625 2.411 0.957 0.592 0.880 0.640 CB 1.616 26 residues pruned to eliminate duplicates Z: 122 89.717 2.466 0.940 0.566 0.917 0.669 CB 1.743 122 residues pruned to eliminate duplicates Z: 28 37.231 2.299 1.041 0.560 0.926 0.778 CB 1.556 28 residues pruned to eliminate duplicates Z: 43 44.574 2.332 0.986 0.539 0.881 0.667 CB 1.623 43 residues pruned to eliminate duplicates Z: 30 34.560 2.263 0.905 0.582 0.862 0.586 CB 1.596 30 residues pruned to eliminate duplicates Z: 106 71.715 2.355 0.895 0.540 0.914 0.590 CB 1.649 106 residues pruned to eliminate duplicates Z: 64 59.247 2.381 0.925 0.606 0.905 0.651 CB 1.628 64 residues pruned to eliminate duplicates Z: 42 41.190 2.344 0.875 0.530 0.878 0.610 CB 1.618 42 residues pruned to eliminate duplicates Z: 46 38.862 2.248 0.831 0.531 0.889 0.644 CB 1.535 46 residues pruned to eliminate duplicates Z: 17 28.584 2.239 0.869 0.580 0.938 0.812 CB 1.686 17 residues pruned to eliminate duplicates Z: 81 67.539 2.393 0.900 0.553 0.950 0.650 CB 1.660 81 residues pruned to eliminate duplicates Z: 17 24.772 2.357 0.802 0.511 0.875 0.625 CB 1.649 17 residues pruned to eliminate duplicates Z: 22 19.439 2.166 0.848 0.491 0.762 0.619 CB 1.403 22 residues pruned to eliminate duplicates Z: 17 28.124 2.321 1.062 0.529 0.875 0.688 CB 1.631 17 residues pruned to eliminate duplicates Z: 41 43.233 2.407 0.879 0.549 0.875 0.625 CB 1.646 41 residues pruned to eliminate duplicates Z: 42 45.264 2.397 0.995 0.552 0.854 0.732 CB 1.647 42 residues pruned to eliminate duplicates Z: 42 41.190 2.340 0.914 0.568 0.829 0.634 CB 1.623 42 residues pruned to eliminate duplicates Z: 41 50.324 2.402 0.995 0.572 0.925 0.650 CB 1.675 40 residues pruned to eliminate duplicates Z: 7 3.492 1.543 0.425 0.351 0.667 0.667 CB 1.143 7 residues pruned to eliminate duplicates Z: 19 25.067 2.140 0.849 0.571 0.944 0.667 CB 1.477 18 residues pruned to eliminate duplicates Z: 6 4.443 1.645 0.523 0.242 1.000 0.800 CA 1.070 6 residues pruned to eliminate duplicates Z: 102 83.434 2.357 0.872 0.607 0.950 0.644 CB 1.788 102 residues pruned to eliminate duplicates Z: 43 64.883 2.499 0.915 0.667 0.905 0.690 CB 1.982 49 residues pruned to eliminate duplicates Z: 23 58.680 2.537 0.785 0.884 0.955 0.727 CB 2.092 23 residues pruned to eliminate duplicates Z: 101 76.581 2.412 0.797 0.575 0.930 0.660 CB 1.767 101 residues pruned to eliminate duplicates Z: 107 75.350 2.307 0.803 0.574 0.943 0.642 CB 1.737 107 residues pruned to eliminate duplicates Z: 99 83.331 2.411 0.859 0.595 0.939 0.653 CB 1.827 99 residues pruned to eliminate duplicates Z: 75 69.536 2.349 0.875 0.610 0.932 0.676 CB 1.773 75 residues pruned to eliminate duplicates Z: 97 86.718 2.413 0.848 0.618 0.969 0.698 CB 1.832 96 residues pruned to eliminate duplicates Z: 25 63.743 2.392 1.003 0.910 1.000 0.917 C 1.927 25 residues pruned to eliminate duplicates Z: 44 62.901 2.402 0.980 0.690 0.930 0.744 CB 1.822 44 residues pruned to eliminate duplicates Z: 101 79.752 2.381 0.805 0.604 0.940 0.610 CB 1.789 101 residues pruned to eliminate duplicates Z: 99 80.636 2.381 0.857 0.599 0.929 0.673 CB 1.805 99 residues pruned to eliminate duplicates Z: 44 69.512 2.464 0.993 0.666 0.953 0.698 CB 1.942 44 residues pruned to eliminate duplicates Z: 102 89.630 2.370 0.947 0.624 0.960 0.673 CB 1.790 102 residues pruned to eliminate duplicates Z: 90 89.315 2.444 0.953 0.617 0.944 0.674 CB 1.881 90 residues pruned to eliminate duplicates Z: 37 68.095 2.479 1.063 0.707 0.944 0.750 CB 1.947 37 residues pruned to eliminate duplicates Z: 140 79.620 2.254 0.780 0.585 0.950 0.662 CB 1.633 160 residues pruned to eliminate duplicates Z: 23 83.799 2.530 1.372 0.923 1.000 0.818 C 2.092 23 residues pruned to eliminate duplicates Z: 44 68.694 2.439 1.103 0.643 0.930 0.651 CB 1.921 44 residues pruned to eliminate duplicates Z: 50 59.786 2.304 0.997 0.661 0.939 0.755 CB 1.703 50 residues pruned to eliminate duplicates Z: 128 84.320 2.323 0.794 0.612 0.945 0.685 CB 1.709 128 residues pruned to eliminate duplicates Z: 22 92.019 2.636 1.457 0.929 1.000 0.810 C 2.168 22 residues pruned to eliminate duplicates Z: 103 83.741 2.383 0.912 0.596 0.922 0.657 CB 1.801 103 residues pruned to eliminate duplicates Z: 65 85.749 2.479 1.064 0.650 0.953 0.719 CB 1.911 65 residues pruned to eliminate duplicates Z: 23 81.107 2.556 1.454 0.840 1.000 0.727 C 2.057 23 residues pruned to eliminate duplicates Z: 44 59.133 2.357 0.942 0.623 0.953 0.698 CB 1.839 44 residues pruned to eliminate duplicates Z: 44 72.052 2.444 1.034 0.708 0.953 0.721 CB 1.919 44 residues pruned to eliminate duplicates Z: 30 46.814 2.348 0.939 0.635 0.931 0.828 CB 1.807 30 residues pruned to eliminate duplicates Z: 32 39.673 2.232 0.965 0.574 0.903 0.710 CB 1.675 32 residues pruned to eliminate duplicates Z: 73 79.535 2.369 1.021 0.626 0.944 0.722 CB 1.840 73 residues pruned to eliminate duplicates Z: 37 69.023 2.474 1.067 0.700 0.972 0.778 CB 1.927 37 residues pruned to eliminate duplicates Z: 99 88.009 2.408 0.959 0.599 0.949 0.714 CB 1.807 99 residues pruned to eliminate duplicates Z: 139 78.774 2.275 0.747 0.577 0.957 0.638 CB 1.639 139 residues pruned to eliminate duplicates Z: 91 84.456 2.420 0.946 0.599 0.933 0.689 CB 1.842 91 residues pruned to eliminate duplicates Z: 136 81.416 2.289 0.763 0.593 0.948 0.733 CB 1.676 136 residues pruned to eliminate duplicates Z: 23 40.910 2.252 0.758 0.744 0.955 0.682 C 1.855 23 residues pruned to eliminate duplicates Z: 63 84.543 2.501 1.007 0.648 0.952 0.694 CB 1.959 63 residues pruned to eliminate duplicates Z: 133 82.936 2.282 0.806 0.603 0.955 0.682 CB 1.663 133 residues pruned to eliminate duplicates Z: 63 82.464 2.453 0.994 0.665 0.935 0.677 CB 1.964 63 residues pruned to eliminate duplicates Z: 30 38.880 2.352 0.825 0.527 0.897 0.552 CB 1.826 30 residues pruned to eliminate duplicates Z: 101 75.871 2.385 0.840 0.592 0.900 0.680 CB 1.759 101 residues pruned to eliminate duplicates Z: 142 77.860 2.239 0.808 0.573 0.922 0.681 CB 1.637 142 residues pruned to eliminate duplicates Z: 97 92.106 2.428 0.956 0.627 0.958 0.719 CB 1.832 97 residues pruned to eliminate duplicates Z: 107 85.721 2.386 0.907 0.577 0.943 0.651 CB 1.800 107 residues pruned to eliminate duplicates Z: 70 74.297 2.390 0.939 0.647 0.942 0.667 CB 1.786 70 residues pruned to eliminate duplicates Z: 55 92.056 2.571 1.179 0.654 0.963 0.685 CB 2.013 55 residues pruned to eliminate duplicates Z: 89 78.313 2.393 0.913 0.606 0.932 0.670 CB 1.770 89 residues pruned to eliminate duplicates Z: 128 83.074 2.299 0.795 0.603 0.961 0.685 CB 1.686 128 residues pruned to eliminate duplicates Z: 97 90.336 2.418 0.946 0.616 0.958 0.688 CB 1.832 97 residues pruned to eliminate duplicates Z: 68 76.088 2.403 0.963 0.624 0.940 0.716 CB 1.864 68 residues pruned to eliminate duplicates Z: 59 50.886 2.313 0.772 0.530 0.931 0.586 CB 1.699 59 residues pruned to eliminate duplicates Z: 79 81.300 2.423 0.981 0.600 0.962 0.718 CB 1.813 79 residues pruned to eliminate duplicates Z: 28 37.750 2.375 0.940 0.526 0.889 0.556 CB 1.729 28 residues pruned to eliminate duplicates Z: 90 87.257 2.451 0.927 0.620 0.966 0.685 CB 1.810 90 residues pruned to eliminate duplicates Z: 101 80.872 2.335 0.872 0.610 0.940 0.670 CB 1.774 101 residues pruned to eliminate duplicates Z: 12 7.133 1.891 0.737 0.170 0.727 0.364 CB 1.343 12 residues pruned to eliminate duplicates Z: 56 57.325 2.364 0.842 0.548 0.964 0.636 CB 1.758 56 residues pruned to eliminate duplicates Z: 102 81.307 2.350 0.872 0.607 0.941 0.634 CB 1.765 102 residues pruned to eliminate duplicates Z: 33 37.064 2.300 0.689 0.550 0.938 0.625 CB 1.714 33 residues pruned to eliminate duplicates Z: 34 37.029 2.301 0.624 0.540 0.970 0.667 CB 1.711 34 residues pruned to eliminate duplicates Z: 34 36.916 2.274 0.742 0.531 0.939 0.697 CB 1.674 34 residues pruned to eliminate duplicates Z: 34 36.426 2.292 0.637 0.529 0.970 0.606 CB 1.694 34 residues pruned to eliminate duplicates Z: 65 40.794 2.138 0.577 0.578 0.953 0.719 CB 1.472 65 residues pruned to eliminate duplicates Z: 33 30.824 2.158 0.575 0.548 0.906 0.656 CB 1.688 33 residues pruned to eliminate duplicates Z: 34 36.222 2.249 0.695 0.540 0.939 0.576 CB 1.693 34 residues pruned to eliminate duplicates Z: 35 36.581 2.262 0.728 0.544 0.912 0.706 CB 1.685 35 residues pruned to eliminate duplicates Z: 38 35.446 2.206 0.657 0.497 0.946 0.568 CB 1.690 38 residues pruned to eliminate duplicates Z: 51 35.744 2.229 0.633 0.476 0.920 0.560 CB 1.546 51 residues pruned to eliminate duplicates Z: 33 38.701 2.310 0.736 0.572 0.938 0.656 CB 1.698 33 residues pruned to eliminate duplicates Z: 34 33.253 2.268 0.672 0.558 0.879 0.636 CB 1.641 34 residues pruned to eliminate duplicates Z: 72 35.774 2.113 0.497 0.530 0.915 0.704 CB 1.424 72 residues pruned to eliminate duplicates Z: 31 33.983 2.235 0.718 0.551 0.900 0.633 CB 1.708 31 residues pruned to eliminate duplicates Z: 34 39.022 2.277 0.790 0.565 0.909 0.636 CB 1.721 34 residues pruned to eliminate duplicates Z: 44 37.727 2.237 0.734 0.497 0.953 0.628 CB 1.561 44 residues pruned to eliminate duplicates Z: 36 37.519 2.250 0.721 0.549 0.943 0.657 CB 1.656 36 residues pruned to eliminate duplicates Z: 34 37.402 2.278 0.711 0.540 0.939 0.606 CB 1.710 34 residues pruned to eliminate duplicates Z: 35 34.478 2.271 0.632 0.535 0.912 0.618 CB 1.691 35 residues pruned to eliminate duplicates Z: 34 37.980 2.268 0.695 0.563 0.939 0.697 CB 1.722 34 residues pruned to eliminate duplicates Z: 36 39.580 2.296 0.743 0.534 0.943 0.714 CB 1.715 36 residues pruned to eliminate duplicates Z: 63 35.906 2.119 0.471 0.583 0.952 0.726 CB 1.419 63 residues pruned to eliminate duplicates Z: 38 32.670 2.215 0.715 0.495 0.865 0.649 CB 1.644 38 residues pruned to eliminate duplicates Z: 32 31.639 2.187 0.783 0.516 0.903 0.677 CB 1.588 32 residues pruned to eliminate duplicates Z: 34 37.472 2.283 0.707 0.576 0.909 0.667 CB 1.711 34 residues pruned to eliminate duplicates Z: 37 35.175 2.279 0.604 0.515 0.944 0.667 CB 1.673 37 residues pruned to eliminate duplicates Z: 67 52.683 2.347 0.730 0.511 0.909 0.652 CB 1.738 67 residues pruned to eliminate duplicates Z: 65 37.961 2.105 0.568 0.564 0.938 0.703 CB 1.441 65 residues pruned to eliminate duplicates Z: 11 19.201 2.286 0.813 0.454 0.900 0.600 CB 1.706 11 residues pruned to eliminate duplicates Z: 42 23.916 1.920 0.603 0.567 0.927 0.707 CB 1.227 41 residues pruned to eliminate duplicates Z: 9 12.883 1.925 0.644 0.476 1.000 0.875 CA 1.475 9 residues pruned to eliminate duplicates Z: 50 35.489 2.177 0.641 0.473 0.939 0.633 CB 1.554 50 residues pruned to eliminate duplicates Z: 11 18.785 2.184 0.958 0.489 0.900 0.700 CB 1.559 11 residues pruned to eliminate duplicates Z: 39 21.427 1.941 0.451 0.598 0.921 0.658 CB 1.220 39 residues pruned to eliminate duplicates Z: 35 22.779 1.983 0.439 0.599 0.941 0.676 CB 1.323 35 residues pruned to eliminate duplicates Z: 40 23.893 1.953 0.442 0.609 0.974 0.744 CB 1.257 40 residues pruned to eliminate duplicates Z: 33 21.162 1.973 0.355 0.613 0.969 0.688 CB 1.297 33 residues pruned to eliminate duplicates Z: 40 19.919 1.914 0.449 0.539 0.897 0.718 CB 1.233 40 residues pruned to eliminate duplicates Z: 25 24.470 2.054 0.645 0.670 0.917 0.708 CB 1.378 25 residues pruned to eliminate duplicates Z: 26 23.544 2.050 0.604 0.601 0.960 0.720 CB 1.354 26 residues pruned to eliminate duplicates Z: 41 19.557 1.906 0.388 0.591 0.850 0.675 CB 1.261 41 residues pruned to eliminate duplicates Z: 28 18.981 1.881 0.403 0.704 1.000 0.704 CB 1.150 29 residues pruned to eliminate duplicates Z: 18 21.024 1.839 0.615 0.917 1.000 0.647 CB 1.212 18 residues pruned to eliminate duplicates Z: 41 22.602 1.902 0.624 0.578 0.875 0.625 CB 1.226 41 residues pruned to eliminate duplicates Z: 47 28.735 1.941 0.630 0.537 0.957 0.739 CB 1.350 47 residues pruned to eliminate duplicates Z: 40 23.698 1.945 0.585 0.590 0.923 0.667 CB 1.223 40 residues pruned to eliminate duplicates Z: 32 27.135 1.989 0.651 0.634 0.968 0.581 CB 1.352 32 residues pruned to eliminate duplicates Z: 133 79.720 2.266 0.837 0.610 0.924 0.682 CB 1.625 128 residues pruned to eliminate duplicates Z: 19 17.829 1.766 0.833 0.875 0.889 0.722 CB 1.062 19 residues pruned to eliminate duplicates Z: 40 26.141 1.939 0.710 0.560 0.974 0.641 CB 1.222 40 residues pruned to eliminate duplicates Z: 33 27.877 1.915 0.792 0.629 0.969 0.500 CB 1.314 33 residues pruned to eliminate duplicates Z: 36 23.052 1.920 0.740 0.549 0.943 0.514 CB 1.180 36 residues pruned to eliminate duplicates Z: 38 20.346 1.874 0.597 0.609 0.892 0.676 CB 1.130 38 residues pruned to eliminate duplicates Z: 43 22.950 1.874 0.735 0.542 0.857 0.595 CB 1.219 43 residues pruned to eliminate duplicates Z: 49 27.881 1.948 0.696 0.516 0.938 0.604 CB 1.279 49 residues pruned to eliminate duplicates Z: 30 17.994 1.823 0.657 0.618 0.931 0.552 CB 1.063 30 residues pruned to eliminate duplicates Z: 40 26.988 1.932 0.745 0.602 0.923 0.538 CB 1.260 39 residues pruned to eliminate duplicates Z: 6 7.822 1.726 0.950 0.425 1.000 0.800 CA 1.123 6 residues pruned to eliminate duplicates Z: 53 55.301 2.315 0.827 0.647 0.962 0.712 CB 1.644 53 residues pruned to eliminate duplicates Z: 135 86.380 2.420 0.689 0.587 0.940 0.679 CB 1.786 135 residues pruned to eliminate duplicates Z: 48 55.852 2.336 0.818 0.675 0.957 0.745 CB 1.706 48 residues pruned to eliminate duplicates Z: 86 74.174 2.446 0.872 0.579 0.929 0.659 CB 1.751 86 residues pruned to eliminate duplicates Z: 99 78.875 2.443 0.798 0.565 0.939 0.724 CB 1.813 98 residues pruned to eliminate duplicates Z: 23 78.148 2.722 1.040 0.885 1.000 0.818 CB 2.166 23 residues pruned to eliminate duplicates Z: 50 60.365 2.378 0.895 0.684 0.939 0.816 CB 1.722 50 residues pruned to eliminate duplicates Z: 71 80.306 2.534 0.936 0.600 0.943 0.729 CB 1.887 71 residues pruned to eliminate duplicates Z: 70 81.148 2.478 0.933 0.647 0.957 0.739 CB 1.858 70 residues pruned to eliminate duplicates Z: 71 75.942 2.475 0.954 0.625 0.929 0.714 CB 1.796 71 residues pruned to eliminate duplicates Z: 49 64.827 2.410 0.973 0.691 0.938 0.771 CB 1.762 49 residues pruned to eliminate duplicates Z: 35 67.176 2.454 1.069 0.745 0.971 0.853 CB 1.878 35 residues pruned to eliminate duplicates Z: 42 73.692 2.527 0.991 0.732 0.976 0.780 CB 1.903 42 residues pruned to eliminate duplicates Z: 131 93.877 2.453 0.784 0.586 0.954 0.731 CB 1.816 131 residues pruned to eliminate duplicates Z: 135 90.233 2.418 0.754 0.591 0.948 0.709 CB 1.778 130 residues pruned to eliminate duplicates Z: 24 80.906 2.533 1.237 0.924 1.000 0.826 CB 2.090 24 residues pruned to eliminate duplicates Z: 43 76.417 2.461 1.123 0.708 0.976 0.786 CB 1.914 43 residues pruned to eliminate duplicates Z: 85 76.548 2.463 0.977 0.587 0.893 0.738 CB 1.768 85 residues pruned to eliminate duplicates Z: 25 72.972 2.390 1.167 0.927 1.000 0.708 CA 2.016 25 residues pruned to eliminate duplicates Z: 85 82.529 2.482 0.931 0.607 0.940 0.738 CB 1.806 85 residues pruned to eliminate duplicates Z: 151 95.634 2.392 0.777 0.600 0.947 0.707 CB 1.765 157 residues pruned to eliminate duplicates Z: 24 85.749 2.548 1.397 0.927 1.000 0.826 CA 2.051 24 residues pruned to eliminate duplicates Z: 129 97.653 2.441 0.834 0.593 0.961 0.672 CB 1.835 129 residues pruned to eliminate duplicates Z: 72 80.105 2.468 0.942 0.638 0.958 0.718 CB 1.821 72 residues pruned to eliminate duplicates Z: 134 91.046 2.429 0.768 0.594 0.932 0.752 CB 1.801 134 residues pruned to eliminate duplicates Z: 129 89.992 2.451 0.773 0.579 0.930 0.688 CB 1.826 129 residues pruned to eliminate duplicates Z: 60 76.732 2.508 0.950 0.646 0.932 0.763 CB 1.911 60 residues pruned to eliminate duplicates Z: 25 77.502 2.618 1.329 0.832 0.958 0.750 CB 2.032 25 residues pruned to eliminate duplicates Z: 134 92.794 2.436 0.813 0.600 0.917 0.752 CB 1.806 134 residues pruned to eliminate duplicates Z: 43 77.137 2.541 1.078 0.717 0.952 0.833 CB 1.944 43 residues pruned to eliminate duplicates Z: 8 14.697 2.345 0.378 0.679 0.857 0.714 CA 1.701 8 residues pruned to eliminate duplicates Z: 103 91.474 2.511 0.923 0.590 0.912 0.637 CB 1.887 103 residues pruned to eliminate duplicates Z: 129 90.555 2.438 0.726 0.580 0.953 0.688 CB 1.848 129 residues pruned to eliminate duplicates Z: 65 80.378 2.508 1.010 0.632 0.938 0.781 CB 1.879 65 residues pruned to eliminate duplicates Z: 136 95.602 2.403 0.829 0.598 0.948 0.719 CB 1.798 136 residues pruned to eliminate duplicates Z: 134 97.049 2.442 0.835 0.601 0.940 0.737 CB 1.815 134 residues pruned to eliminate duplicates Z: 156 92.363 2.357 0.752 0.603 0.929 0.710 CB 1.752 156 residues pruned to eliminate duplicates Z: 113 91.108 2.471 0.859 0.590 0.929 0.670 CB 1.852 113 residues pruned to eliminate duplicates Z: 84 76.921 2.474 0.893 0.595 0.928 0.735 CB 1.775 84 residues pruned to eliminate duplicates Z: 77 71.290 2.440 0.888 0.600 0.908 0.658 CB 1.777 77 residues pruned to eliminate duplicates Z: 99 90.989 2.495 0.917 0.596 0.929 0.673 CB 1.888 99 residues pruned to eliminate duplicates Z: 64 83.943 2.528 1.010 0.638 0.952 0.730 CB 1.921 64 residues pruned to eliminate duplicates Z: 50 44.879 2.450 0.656 0.458 0.939 0.633 CB 1.757 50 residues pruned to eliminate duplicates Z: 154 96.304 2.423 0.801 0.601 0.908 0.693 CB 1.784 154 residues pruned to eliminate duplicates Z: 67 80.035 2.516 0.932 0.633 0.955 0.682 CB 1.875 67 residues pruned to eliminate duplicates Z: 100 64.952 2.368 0.632 0.519 0.929 0.606 CB 1.785 100 residues pruned to eliminate duplicates Z: 72 74.622 2.468 1.006 0.578 0.915 0.620 CB 1.813 72 residues pruned to eliminate duplicates Z: 68 87.881 2.487 1.101 0.663 0.955 0.761 CB 1.849 68 residues pruned to eliminate duplicates Z: 15 38.542 2.733 0.867 0.616 0.929 0.786 CB 1.948 15 residues pruned to eliminate duplicates Z: 61 93.763 2.606 1.092 0.678 0.950 0.750 CB 1.983 61 residues pruned to eliminate duplicates Z: 58 54.888 2.480 0.674 0.497 0.930 0.614 CB 1.889 58 residues pruned to eliminate duplicates Z: 155 98.952 2.390 0.762 0.606 0.961 0.649 CB 1.783 155 residues pruned to eliminate duplicates Z: 134 93.849 2.418 0.773 0.583 0.970 0.632 CB 1.807 134 residues pruned to eliminate duplicates Z: 134 95.785 2.438 0.795 0.610 0.947 0.729 CB 1.804 134 residues pruned to eliminate duplicates Z: 65 56.537 2.485 0.682 0.495 0.906 0.609 CB 1.875 65 residues pruned to eliminate duplicates Z: 134 88.324 2.414 0.749 0.594 0.932 0.692 CB 1.778 134 residues pruned to eliminate duplicates Z: 72 54.172 2.371 0.606 0.534 0.915 0.690 CB 1.784 72 residues pruned to eliminate duplicates Z: 72 55.624 2.344 0.608 0.550 0.930 0.718 CB 1.794 72 residues pruned to eliminate duplicates Z: 49 51.844 2.409 0.814 0.511 0.896 0.646 CB 1.890 49 residues pruned to eliminate duplicates Z: 6 4.799 2.042 0.104 0.408 0.800 0.400 CA 1.310 6 residues pruned to eliminate duplicates Z: 79 83.815 2.538 0.944 0.581 0.936 0.705 CB 1.902 79 residues pruned to eliminate duplicates Z: 17 17.377 2.263 0.411 0.398 0.875 0.625 CB 1.733 17 residues pruned to eliminate duplicates Z: 73 52.865 2.323 0.600 0.500 0.944 0.556 CB 1.775 73 residues pruned to eliminate duplicates Z: 68 51.068 2.323 0.600 0.515 0.940 0.642 CB 1.758 68 residues pruned to eliminate duplicates Z: 90 60.868 2.384 0.573 0.526 0.910 0.652 CB 1.842 90 residues pruned to eliminate duplicates Z: 83 59.577 2.325 0.749 0.516 0.890 0.659 CB 1.790 83 residues pruned to eliminate duplicates Z: 37 39.586 2.417 0.599 0.499 0.944 0.722 CB 1.810 37 residues pruned to eliminate duplicates Z: 72 53.729 2.342 0.562 0.541 0.930 0.648 CB 1.802 72 residues pruned to eliminate duplicates Z: 72 47.687 2.283 0.531 0.537 0.915 0.662 CB 1.705 72 residues pruned to eliminate duplicates Z: 63 55.259 2.446 0.719 0.485 0.903 0.581 CB 1.877 63 residues pruned to eliminate duplicates Z: 156 94.925 2.385 0.817 0.587 0.923 0.690 CB 1.754 156 residues pruned to eliminate duplicates Z: 134 89.481 2.423 0.758 0.598 0.925 0.714 CB 1.794 134 residues pruned to eliminate duplicates Z: 73 57.275 2.340 0.645 0.545 0.931 0.639 CB 1.804 73 residues pruned to eliminate duplicates Z: 134 101.355 2.430 0.864 0.614 0.955 0.677 CB 1.825 134 residues pruned to eliminate duplicates Z: 74 52.286 2.330 0.565 0.543 0.904 0.658 CB 1.780 74 residues pruned to eliminate duplicates Z: 99 68.228 2.400 0.658 0.531 0.929 0.653 CB 1.811 99 residues pruned to eliminate duplicates Z: 67 52.042 2.340 0.536 0.572 0.939 0.742 CB 1.769 67 residues pruned to eliminate duplicates Z: 99 92.510 2.518 0.860 0.611 0.929 0.684 CB 1.936 99 residues pruned to eliminate duplicates Z: 73 52.746 2.301 0.581 0.547 0.931 0.708 CB 1.753 73 residues pruned to eliminate duplicates Z: 65 47.625 2.346 0.541 0.549 0.891 0.719 CB 1.762 65 residues pruned to eliminate duplicates Z: 55 49.710 2.475 0.586 0.503 0.907 0.611 CB 1.895 55 residues pruned to eliminate duplicates Z: 64 48.394 2.378 0.433 0.577 0.952 0.683 CB 1.744 64 residues pruned to eliminate duplicates Z: 34 25.811 2.224 0.486 0.414 0.879 0.515 CB 1.693 34 residues pruned to eliminate duplicates Z: 38 39.897 2.408 0.608 0.505 0.946 0.649 CB 1.781 38 residues pruned to eliminate duplicates Z: 72 57.110 2.342 0.726 0.549 0.915 0.690 CB 1.745 72 residues pruned to eliminate duplicates Z: 66 55.239 2.331 0.646 0.570 0.954 0.738 CB 1.749 66 residues pruned to eliminate duplicates Z: 137 86.006 2.385 0.721 0.585 0.941 0.654 CB 1.760 137 residues pruned to eliminate duplicates Z: 45 39.056 2.228 0.537 0.563 0.977 0.614 CB 1.655 45 residues pruned to eliminate duplicates Z: 50 43.361 2.365 0.661 0.501 0.878 0.714 CB 1.796 50 residues pruned to eliminate duplicates Z: 134 99.354 2.423 0.872 0.608 0.940 0.729 CB 1.824 134 residues pruned to eliminate duplicates Z: 64 55.146 2.374 0.637 0.590 0.937 0.778 CB 1.752 64 residues pruned to eliminate duplicates Z: 115 72.878 2.346 0.718 0.571 0.912 0.719 CB 1.733 115 residues pruned to eliminate duplicates Z: 64 54.460 2.392 0.572 0.572 0.937 0.762 CB 1.819 64 residues pruned to eliminate duplicates Z: 66 50.878 2.345 0.588 0.545 0.923 0.723 CB 1.757 66 residues pruned to eliminate duplicates Z: 50 48.967 2.447 0.684 0.484 0.918 0.735 CB 1.879 50 residues pruned to eliminate duplicates Z: 65 49.923 2.335 0.656 0.553 0.891 0.688 CB 1.720 65 residues pruned to eliminate duplicates Z: 43 39.450 2.285 0.528 0.564 0.952 0.690 CB 1.721 43 residues pruned to eliminate duplicates Z: 85 55.960 2.274 0.677 0.566 0.917 0.667 CB 1.637 85 residues pruned to eliminate duplicates Z: 89 66.395 2.420 0.665 0.554 0.920 0.739 CB 1.810 89 residues pruned to eliminate duplicates Z: 32 31.491 2.197 0.605 0.609 0.903 0.710 CB 1.601 32 residues pruned to eliminate duplicates Z: 65 57.737 2.366 0.650 0.577 0.969 0.766 CB 1.773 65 residues pruned to eliminate duplicates Z: 46 36.413 2.174 0.672 0.526 0.889 0.600 CB 1.637 46 residues pruned to eliminate duplicates Z: 97 72.360 2.416 0.776 0.546 0.906 0.667 CB 1.815 97 residues pruned to eliminate duplicates Z: 66 55.921 2.350 0.694 0.555 0.954 0.692 CB 1.730 66 residues pruned to eliminate duplicates Z: 35 25.124 2.014 0.436 0.586 0.941 0.676 CB 1.458 35 residues pruned to eliminate duplicates Z: 34 36.324 2.201 0.596 0.600 1.000 0.667 CB 1.636 34 residues pruned to eliminate duplicates Z: 71 57.440 2.335 0.694 0.562 0.914 0.743 CB 1.788 71 residues pruned to eliminate duplicates Z: 45 34.463 2.210 0.542 0.545 0.909 0.705 CB 1.606 45 residues pruned to eliminate duplicates Z: 32 35.647 2.230 0.598 0.620 0.968 0.742 CB 1.657 32 residues pruned to eliminate duplicates Z: 135 97.423 2.415 0.863 0.607 0.940 0.724 CB 1.797 135 residues pruned to eliminate duplicates Z: 22 28.177 2.169 0.532 0.713 0.952 0.857 CB 1.601 22 residues pruned to eliminate duplicates Z: 129 100.959 2.459 0.886 0.616 0.938 0.719 CB 1.840 129 residues pruned to eliminate duplicates Z: 136 97.397 2.410 0.870 0.606 0.941 0.681 CB 1.787 136 residues pruned to eliminate duplicates Z: 23 35.653 2.170 0.817 0.701 1.000 0.727 CB 1.605 23 residues pruned to eliminate duplicates Z: 33 36.764 2.159 0.801 0.605 0.938 0.625 CB 1.613 33 residues pruned to eliminate duplicates Z: 133 94.882 2.425 0.858 0.598 0.932 0.697 CB 1.791 133 residues pruned to eliminate duplicates Z: 24 30.725 2.049 0.760 0.686 1.000 0.696 CB 1.498 24 residues pruned to eliminate duplicates Z: 70 57.114 2.308 0.746 0.558 0.928 0.681 CB 1.740 70 residues pruned to eliminate duplicates Z: 31 41.866 2.258 0.858 0.630 0.967 0.700 CB 1.667 31 residues pruned to eliminate duplicates Z: 37 32.651 2.065 0.755 0.606 0.917 0.639 CB 1.481 37 residues pruned to eliminate duplicates Z: 23 33.590 2.135 0.868 0.690 0.955 0.682 CB 1.581 23 residues pruned to eliminate duplicates Z: 32 37.097 2.200 0.832 0.625 0.903 0.677 CB 1.627 32 residues pruned to eliminate duplicates Z: 58 44.102 2.168 0.856 0.583 0.895 0.667 CB 1.498 58 residues pruned to eliminate duplicates Z: 56 41.741 2.185 0.744 0.537 0.873 0.636 CB 1.632 56 residues pruned to eliminate duplicates Z: 20 32.961 2.229 0.774 0.719 0.947 0.895 CB 1.656 20 residues pruned to eliminate duplicates Z: 21 35.438 2.133 0.873 0.717 1.000 0.800 CA 1.630 21 residues pruned to eliminate duplicates Z: 8 23.838 2.309 1.115 0.632 0.857 0.714 CA 1.901 8 residues pruned to eliminate duplicates Z: 20 33.794 2.215 0.733 0.719 1.000 0.842 CA 1.657 20 residues pruned to eliminate duplicates Z: 78 60.631 2.266 0.832 0.545 0.935 0.675 CB 1.705 78 residues pruned to eliminate duplicates Z: 28 22.466 2.122 0.811 0.523 0.815 0.667 CB 1.350 28 residues pruned to eliminate duplicates Z: 20 30.710 2.132 0.774 0.691 0.947 0.737 CA 1.651 20 residues pruned to eliminate duplicates Z: 93 69.262 2.300 0.860 0.573 0.913 0.761 CB 1.724 93 residues pruned to eliminate duplicates Z: 40 36.239 2.160 0.990 0.570 0.897 0.667 CB 1.406 40 residues pruned to eliminate duplicates Z: 21 29.614 2.115 0.829 0.627 0.950 0.600 CB 1.599 21 residues pruned to eliminate duplicates Z: 58 40.220 2.154 0.767 0.559 0.895 0.702 CB 1.477 58 residues pruned to eliminate duplicates Z: 23 27.798 2.077 0.742 0.664 0.909 0.682 CB 1.548 23 residues pruned to eliminate duplicates Z: 22 22.190 1.914 0.702 0.641 0.952 0.810 CB 1.368 22 residues pruned to eliminate duplicates Z: 23 19.572 1.903 0.718 0.557 0.909 0.682 CB 1.328 23 residues pruned to eliminate duplicates Z: 20 23.537 2.005 0.574 0.665 0.947 0.632 CB 1.551 20 residues pruned to eliminate duplicates Z: 45 37.015 2.125 0.715 0.649 0.909 0.636 CB 1.465 45 residues pruned to eliminate duplicates Z: 26 24.482 2.130 0.724 0.543 0.840 0.600 CB 1.521 26 residues pruned to eliminate duplicates Z: 22 19.322 2.024 0.782 0.580 0.810 0.714 CB 1.338 22 residues pruned to eliminate duplicates Z: 18 24.017 2.057 0.921 0.688 0.882 0.824 CB 1.406 18 residues pruned to eliminate duplicates Z: 49 37.319 2.140 0.743 0.635 0.896 0.646 CB 1.420 49 residues pruned to eliminate duplicates Z: 15 9.474 1.874 0.614 0.471 0.857 0.500 CB 1.006 15 residues pruned to eliminate duplicates Z: 6 8.990 1.743 0.946 0.453 1.000 0.800 N 1.244 6 residues pruned to eliminate duplicates Z: 107 70.023 2.296 0.924 0.558 0.896 0.660 CB 1.625 107 residues pruned to eliminate duplicates 506 residues left after pruning, divided into chains as follows: A: 9 B: 7 C: 183 D: 141 E: 166 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 30.38 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.530, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.609, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.715, Connect. = 0.803 for dens.mod. cycle 3 = 0.300, Contrast = 0.726, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.739, Connect. = 0.812 for dens.mod. cycle 5 = 0.300, Contrast = 0.746, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.755, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.760, Connect. = 0.819 for dens.mod. cycle 8 = 0.300, Contrast = 0.765, Connect. = 0.820 for dens.mod. cycle 9 = 0.300, Contrast = 0.769, Connect. = 0.820 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4288 peaks > 0.5 sigma used to seed fragment search Space for about 886 unique residues taking solvent into account 855 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 108 81.668 2.448 0.873 0.582 0.916 0.626 CB 1.737 B: 56 54.873 2.498 0.917 0.520 0.873 0.673 CB 1.735 56 residues pruned to eliminate duplicates C: 48 46.980 2.573 0.799 0.479 0.851 0.638 CB 1.776 48 residues pruned to eliminate duplicates D: 24 73.535 2.571 1.121 0.900 0.957 0.870 CA 2.099 E: 23 88.470 2.677 1.230 0.924 1.000 0.818 C 2.219 24 residues pruned to eliminate duplicates F: 24 71.353 2.560 1.015 0.937 0.957 0.870 CB 2.100 24 residues pruned to eliminate duplicates G: 14 28.302 2.365 0.431 0.847 1.000 0.769 CB 1.722 14 residues pruned to eliminate duplicates H: 22 66.979 2.693 0.823 0.899 1.000 0.905 CB 2.128 23 residues pruned to eliminate duplicates I: 23 83.750 2.592 1.237 0.924 1.000 0.818 C 2.163 J: 22 78.120 2.663 0.995 0.935 1.000 0.810 C 2.237 22 residues pruned to eliminate duplicates K: 24 77.895 2.585 1.100 0.919 1.000 0.957 CA 2.110 24 residues pruned to eliminate duplicates L: 24 78.850 2.574 1.096 0.926 1.000 0.913 CB 2.137 23 residues pruned to eliminate duplicates M: 24 73.918 2.601 0.933 0.915 1.000 0.826 C 2.166 24 residues pruned to eliminate duplicates N: 107 87.790 2.432 0.929 0.601 0.943 0.660 CB 1.749 102 residues pruned to eliminate duplicates O: 23 65.609 2.580 0.884 0.909 0.955 0.864 CB 2.139 23 residues pruned to eliminate duplicates P: 24 73.479 2.504 1.094 0.908 1.000 0.783 CA 2.076 24 residues pruned to eliminate duplicates Q: 101 63.744 2.382 0.749 0.514 0.890 0.650 CB 1.696 80 residues pruned to eliminate duplicates R: 9 28.240 2.702 0.587 0.848 0.875 0.750 CA 1.973 9 residues pruned to eliminate duplicates S: 32 54.103 2.324 0.888 0.798 0.903 0.839 CA 1.889 32 residues pruned to eliminate duplicates T: 19 39.927 2.710 0.692 0.583 0.889 0.722 CB 2.132 U: 23 81.942 2.593 1.182 0.914 1.000 0.864 CB 2.184 23 residues pruned to eliminate duplicates V: 66 84.500 2.552 0.905 0.663 0.985 0.754 CB 1.883 42 residues pruned to eliminate duplicates W: 9 19.661 2.138 0.697 0.811 0.875 0.625 CA 1.671 9 residues pruned to eliminate duplicates X: 80 88.928 2.552 0.989 0.596 0.949 0.709 CB 1.895 61 residues pruned to eliminate duplicates Y: 13 34.905 2.521 0.749 0.747 1.000 0.917 CA 1.832 13 residues pruned to eliminate duplicates Z: 11 27.127 2.301 1.001 0.776 0.800 0.800 CB 1.825 Z: 91 67.222 2.467 0.690 0.537 0.900 0.678 CB 1.821 41 residues pruned to eliminate duplicates Z: 25 74.114 2.480 1.161 0.899 0.958 0.875 C 2.105 25 residues pruned to eliminate duplicates Z: 24 63.479 2.594 0.789 0.889 0.957 0.913 CB 2.147 24 residues pruned to eliminate duplicates Z: 47 55.942 2.591 0.863 0.509 0.913 0.652 CB 1.856 47 residues pruned to eliminate duplicates Z: 10 30.933 2.299 0.859 0.910 1.000 1.000 CB 1.711 10 residues pruned to eliminate duplicates Z: 69 82.244 2.434 0.960 0.658 0.971 0.662 CB 1.861 23 residues pruned to eliminate duplicates Z: 10 40.007 2.317 1.241 0.918 1.000 1.000 CA 1.812 11 residues pruned to eliminate duplicates Z: 11 21.940 2.230 0.565 0.830 0.800 0.700 C 1.868 11 residues pruned to eliminate duplicates Z: 9 20.741 2.137 0.772 0.747 1.000 0.875 CA 1.553 9 residues pruned to eliminate duplicates Z: 9 32.089 2.467 1.047 0.813 0.875 0.750 C 1.955 9 residues pruned to eliminate duplicates Z: 10 21.952 2.419 0.325 0.878 0.889 0.667 CA 1.864 10 residues pruned to eliminate duplicates Z: 20 26.816 2.265 0.377 0.868 0.947 0.842 CB 1.522 20 residues pruned to eliminate duplicates Z: 23 83.563 2.652 1.181 0.919 1.000 0.773 CB 2.170 23 residues pruned to eliminate duplicates Z: 12 45.063 2.624 0.988 0.773 1.000 0.727 CB 2.046 12 residues pruned to eliminate duplicates Z: 21 80.731 2.771 1.071 0.927 1.000 0.900 CB 2.204 21 residues pruned to eliminate duplicates Z: 12 44.326 2.583 1.010 0.811 1.000 0.636 CB 1.964 12 residues pruned to eliminate duplicates Z: 23 73.860 2.582 0.989 0.911 1.000 0.864 CA 2.173 23 residues pruned to eliminate duplicates Z: 9 19.303 2.096 0.690 0.829 1.000 0.750 CB 1.451 9 residues pruned to eliminate duplicates Z: 45 54.861 2.271 0.760 0.713 0.977 0.795 CB 1.746 45 residues pruned to eliminate duplicates Z: 13 24.788 2.026 0.551 0.866 1.000 0.750 C 1.667 13 residues pruned to eliminate duplicates Z: 22 75.182 2.590 1.052 0.929 1.000 0.810 C 2.161 22 residues pruned to eliminate duplicates Z: 38 48.160 2.580 0.811 0.466 0.946 0.676 CB 1.854 38 residues pruned to eliminate duplicates Z: 13 26.899 2.392 0.661 0.785 0.750 0.667 CA 2.028 13 residues pruned to eliminate duplicates Z: 8 15.655 2.245 0.546 0.821 0.857 0.714 CB 1.506 8 residues pruned to eliminate duplicates Z: 19 35.856 2.354 0.530 0.898 0.944 0.889 CB 1.778 19 residues pruned to eliminate duplicates Z: 70 79.229 2.434 1.010 0.643 0.942 0.652 CB 1.810 71 residues pruned to eliminate duplicates Z: 23 81.729 2.665 1.121 0.925 1.000 0.909 CB 2.163 23 residues pruned to eliminate duplicates Z: 14 25.498 2.307 0.229 0.802 1.000 0.846 CB 1.916 14 residues pruned to eliminate duplicates Z: 12 22.714 2.075 0.820 0.789 0.818 0.727 CA 1.720 12 residues pruned to eliminate duplicates Z: 10 22.738 2.434 0.219 0.902 1.000 1.000 CA 1.823 10 residues pruned to eliminate duplicates Z: 92 65.562 2.437 0.669 0.525 0.901 0.648 CB 1.829 92 residues pruned to eliminate duplicates Z: 24 63.129 2.555 0.863 0.902 0.957 0.870 CB 2.062 24 residues pruned to eliminate duplicates Z: 23 44.899 2.233 0.749 0.862 1.000 0.864 CB 1.800 23 residues pruned to eliminate duplicates Z: 10 21.991 2.312 0.403 0.859 0.889 0.889 CB 1.870 10 residues pruned to eliminate duplicates Z: 33 54.510 2.580 0.943 0.578 0.969 0.625 CB 1.841 33 residues pruned to eliminate duplicates Z: 23 57.142 2.574 0.575 0.920 1.000 0.864 CA 2.117 23 residues pruned to eliminate duplicates Z: 23 85.148 2.588 1.291 0.926 1.000 0.818 C 2.147 23 residues pruned to eliminate duplicates Z: 19 33.939 2.318 0.536 0.887 0.944 0.778 CB 1.715 19 residues pruned to eliminate duplicates Z: 23 69.561 2.667 0.966 0.914 0.909 0.818 CA 2.201 23 residues pruned to eliminate duplicates Z: 23 66.393 2.554 1.037 0.913 0.909 0.636 C 2.119 23 residues pruned to eliminate duplicates Z: 9 24.765 2.081 0.849 0.832 1.000 0.500 C 1.708 9 residues pruned to eliminate duplicates Z: 12 35.978 2.578 0.778 0.823 0.909 0.727 CB 1.968 12 residues pruned to eliminate duplicates Z: 34 39.932 2.511 0.709 0.539 0.818 0.576 CB 1.906 34 residues pruned to eliminate duplicates Z: 23 75.980 2.566 1.251 0.901 0.955 0.636 C 2.098 23 residues pruned to eliminate duplicates Z: 134 95.665 2.447 0.782 0.609 0.947 0.662 CB 1.810 134 residues pruned to eliminate duplicates Z: 61 44.702 2.203 0.762 0.620 0.917 0.700 CB 1.448 24 residues pruned to eliminate duplicates Z: 22 51.582 2.349 0.876 0.923 1.000 0.905 CB 1.794 22 residues pruned to eliminate duplicates Z: 22 82.697 2.581 1.359 0.917 1.000 0.810 C 2.091 22 residues pruned to eliminate duplicates Z: 75 49.296 2.305 0.532 0.514 0.932 0.635 CB 1.717 75 residues pruned to eliminate duplicates Z: 23 61.611 2.579 0.696 0.909 1.000 0.864 CB 2.131 23 residues pruned to eliminate duplicates Z: 24 68.009 2.532 1.106 0.931 0.913 0.870 CB 2.035 24 residues pruned to eliminate duplicates Z: 9 14.135 1.936 0.664 0.855 0.875 0.750 CA 1.308 9 residues pruned to eliminate duplicates Z: 22 86.154 2.770 1.159 0.913 1.000 0.857 CB 2.225 22 residues pruned to eliminate duplicates Z: 24 88.790 2.605 1.411 0.918 1.000 0.783 C 2.078 24 residues pruned to eliminate duplicates Z: 84 71.969 2.534 0.785 0.535 0.940 0.711 CB 1.796 84 residues pruned to eliminate duplicates Z: 23 73.753 2.647 1.055 0.900 0.955 0.773 CA 2.164 23 residues pruned to eliminate duplicates Z: 19 14.966 2.121 0.635 0.351 0.778 0.500 CB 1.536 19 residues pruned to eliminate duplicates Z: 21 47.663 2.278 0.914 0.928 0.950 0.900 CB 1.802 21 residues pruned to eliminate duplicates Z: 13 30.571 2.321 0.673 0.751 1.000 0.833 CB 1.817 13 residues pruned to eliminate duplicates Z: 8 9.059 1.817 0.365 0.667 0.857 0.571 CA 1.381 8 residues pruned to eliminate duplicates Z: 76 59.371 2.466 0.850 0.501 0.867 0.613 CB 1.732 76 residues pruned to eliminate duplicates Z: 11 27.579 2.129 1.079 0.886 1.000 0.700 CB 1.421 11 residues pruned to eliminate duplicates Z: 22 90.234 2.665 1.380 0.902 1.000 0.905 CA 2.215 22 residues pruned to eliminate duplicates Z: 19 35.063 2.419 0.468 0.879 1.000 0.944 CB 1.688 19 residues pruned to eliminate duplicates Z: 100 93.213 2.452 0.923 0.607 0.960 0.667 CB 1.871 78 residues pruned to eliminate duplicates Z: 10 35.267 2.532 0.880 0.824 1.000 0.778 CB 1.865 10 residues pruned to eliminate duplicates Z: 21 82.795 2.717 1.186 0.921 1.000 0.750 CB 2.193 21 residues pruned to eliminate duplicates Z: 12 41.868 2.342 1.029 0.924 1.000 1.000 CA 1.866 Z: 13 33.366 2.178 0.830 0.934 1.000 0.917 CA 1.685 13 residues pruned to eliminate duplicates Z: 9 34.215 2.583 0.702 0.897 1.000 1.000 CA 1.970 9 residues pruned to eliminate duplicates Z: 10 20.073 2.152 0.788 0.790 1.000 0.889 CB 1.348 10 residues pruned to eliminate duplicates Z: 11 21.635 2.039 0.402 0.890 1.000 0.800 CA 1.721 11 residues pruned to eliminate duplicates Z: 13 36.439 2.199 0.917 0.930 1.000 1.000 CA 1.745 12 residues pruned to eliminate duplicates Z: 94 68.219 2.305 0.850 0.578 0.946 0.677 CB 1.625 94 residues pruned to eliminate duplicates Z: 10 20.954 2.012 0.722 0.907 1.000 0.889 CB 1.433 10 residues pruned to eliminate duplicates Z: 13 29.436 2.180 0.645 0.877 1.000 0.833 CA 1.720 13 residues pruned to eliminate duplicates Z: 24 70.420 2.556 1.188 0.857 0.913 0.826 CB 2.120 24 residues pruned to eliminate duplicates Z: 19 24.126 2.257 0.993 0.513 0.833 0.722 CB 1.497 19 residues pruned to eliminate duplicates Z: 24 58.977 2.550 0.888 0.856 0.913 0.870 CA 2.062 24 residues pruned to eliminate duplicates Z: 15 16.977 2.229 0.462 0.417 1.000 0.571 CB 1.518 15 residues pruned to eliminate duplicates Z: 32 32.493 2.207 0.495 0.630 0.968 0.742 CB 1.618 32 residues pruned to eliminate duplicates Z: 77 53.749 2.323 0.617 0.538 0.921 0.658 CB 1.717 77 residues pruned to eliminate duplicates Z: 23 53.335 2.616 0.724 0.905 0.864 0.773 CB 2.078 23 residues pruned to eliminate duplicates Z: 106 94.561 2.516 0.940 0.596 0.924 0.714 CB 1.867 107 residues pruned to eliminate duplicates Z: 9 16.563 2.038 0.471 0.781 0.875 0.500 CB 1.742 9 residues pruned to eliminate duplicates Z: 21 34.476 2.102 0.595 0.928 1.000 1.000 CA 1.610 21 residues pruned to eliminate duplicates Z: 10 27.629 2.219 1.346 0.804 0.889 0.889 CB 1.527 Z: 68 77.065 2.526 0.916 0.639 0.925 0.746 CB 1.846 68 residues pruned to eliminate duplicates Z: 20 34.142 2.235 0.451 0.922 0.947 0.947 CB 1.793 20 residues pruned to eliminate duplicates Z: 19 41.904 2.337 0.789 0.906 0.944 0.611 CB 1.778 19 residues pruned to eliminate duplicates Z: 10 28.968 2.340 1.139 0.798 0.889 0.889 CA 1.673 10 residues pruned to eliminate duplicates Z: 9 22.555 2.118 0.863 0.897 1.000 0.750 CB 1.446 9 residues pruned to eliminate duplicates Z: 20 34.768 2.338 0.527 0.889 1.000 0.789 CB 1.609 20 residues pruned to eliminate duplicates Z: 43 39.389 2.292 0.571 0.570 0.929 0.714 CB 1.698 43 residues pruned to eliminate duplicates Z: 8 21.114 2.199 0.792 0.895 0.857 0.714 CB 1.694 8 residues pruned to eliminate duplicates Z: 22 71.047 2.680 0.806 0.921 1.000 0.905 CA 2.255 22 residues pruned to eliminate duplicates Z: 9 20.763 2.139 0.579 0.859 1.000 0.750 CB 1.599 9 residues pruned to eliminate duplicates Z: 37 35.622 2.276 0.623 0.540 0.944 0.694 CB 1.636 37 residues pruned to eliminate duplicates Z: 10 38.453 2.351 1.299 0.898 1.000 1.000 CB 1.696 10 residues pruned to eliminate duplicates Z: 22 43.452 2.294 0.677 0.894 1.000 0.952 CB 1.768 22 residues pruned to eliminate duplicates Z: 24 43.064 2.197 0.705 0.901 1.000 0.870 CB 1.711 24 residues pruned to eliminate duplicates Z: 68 56.787 2.447 0.804 0.517 0.910 0.612 CB 1.698 68 residues pruned to eliminate duplicates Z: 18 31.766 2.118 0.509 0.925 1.000 0.941 CB 1.692 18 residues pruned to eliminate duplicates Z: 8 32.362 2.367 0.967 0.908 1.000 1.000 CB 1.866 8 residues pruned to eliminate duplicates Z: 63 52.858 2.226 0.749 0.615 0.935 0.677 CB 1.653 63 residues pruned to eliminate duplicates Z: 17 26.268 2.343 0.928 0.605 0.812 0.688 CB 1.620 Z: 13 24.455 2.233 0.651 0.705 0.917 0.583 CB 1.734 13 residues pruned to eliminate duplicates Z: 11 19.534 2.266 0.990 0.374 0.900 0.600 CB 1.741 11 residues pruned to eliminate duplicates Z: 35 41.547 2.121 0.805 0.739 0.971 0.647 CB 1.547 Z: 10 9.594 1.811 0.376 0.484 1.000 0.556 CB 1.305 Z: 18 39.299 2.440 0.612 0.892 1.000 0.941 CB 1.740 21 residues pruned to eliminate duplicates Z: 21 66.890 2.518 1.118 0.915 0.950 0.750 C 2.086 21 residues pruned to eliminate duplicates Z: 20 31.930 2.210 0.754 0.893 0.947 0.789 CB 1.432 20 residues pruned to eliminate duplicates Z: 23 65.691 2.540 0.956 0.928 0.955 0.955 CB 2.067 23 residues pruned to eliminate duplicates Z: 36 38.905 2.454 0.632 0.560 0.914 0.743 CB 1.694 36 residues pruned to eliminate duplicates Z: 22 48.022 2.312 0.801 0.891 1.000 0.905 CB 1.809 22 residues pruned to eliminate duplicates Z: 129 90.958 2.376 0.832 0.616 0.945 0.719 CB 1.751 101 residues pruned to eliminate duplicates Z: 18 42.587 2.478 0.696 0.877 1.000 0.647 CB 1.785 18 residues pruned to eliminate duplicates Z: 9 18.976 1.968 0.800 0.842 0.875 0.625 CA 1.613 9 residues pruned to eliminate duplicates Z: 19 38.481 2.426 0.581 0.876 1.000 0.833 CB 1.719 18 residues pruned to eliminate duplicates Z: 72 78.849 2.511 0.974 0.606 0.930 0.690 CB 1.837 72 residues pruned to eliminate duplicates Z: 9 32.489 2.457 0.725 0.875 1.000 1.000 CB 1.972 9 residues pruned to eliminate duplicates Z: 49 42.540 2.318 0.912 0.521 0.875 0.542 CB 1.550 30 residues pruned to eliminate duplicates Z: 25 45.784 2.129 0.943 0.892 1.000 0.875 CA 1.623 25 residues pruned to eliminate duplicates Z: 23 14.649 1.999 0.613 0.365 0.864 0.636 CB 1.297 18 residues pruned to eliminate duplicates Z: 9 33.996 2.455 1.034 0.850 1.000 1.000 CA 1.782 10 residues pruned to eliminate duplicates Z: 34 41.111 2.346 0.682 0.555 0.909 0.697 CB 1.891 34 residues pruned to eliminate duplicates Z: 10 29.959 2.355 1.179 0.796 0.889 0.778 CA 1.690 10 residues pruned to eliminate duplicates Z: 46 36.252 2.251 0.874 0.445 0.822 0.578 CB 1.648 46 residues pruned to eliminate duplicates Z: 91 77.681 2.422 0.940 0.561 0.967 0.689 CB 1.700 95 residues pruned to eliminate duplicates Z: 20 44.193 2.228 1.099 0.887 1.000 0.684 CB 1.563 20 residues pruned to eliminate duplicates Z: 25 71.738 2.494 0.987 0.921 1.000 0.917 CB 2.080 25 residues pruned to eliminate duplicates Z: 10 21.255 2.218 0.746 0.852 0.778 0.667 CB 1.740 10 residues pruned to eliminate duplicates Z: 20 35.092 2.340 0.576 0.858 0.947 0.737 CB 1.698 20 residues pruned to eliminate duplicates Z: 24 43.762 2.193 0.749 0.913 1.000 0.957 CB 1.684 24 residues pruned to eliminate duplicates Z: 38 27.656 2.012 0.773 0.574 0.892 0.622 CB 1.331 7 residues pruned to eliminate duplicates Z: 10 20.102 2.258 0.426 0.837 0.889 0.778 CA 1.750 10 residues pruned to eliminate duplicates Z: 23 81.371 2.604 1.297 0.901 0.955 0.773 C 2.168 23 residues pruned to eliminate duplicates Z: 38 57.242 2.270 0.939 0.770 0.973 0.730 CB 1.731 38 residues pruned to eliminate duplicates Z: 19 35.001 2.423 0.535 0.887 0.944 0.833 CB 1.693 19 residues pruned to eliminate duplicates Z: 38 20.676 2.027 0.296 0.590 0.946 0.757 CB 1.255 31 residues pruned to eliminate duplicates Z: 39 43.586 2.374 0.954 0.547 0.868 0.658 CB 1.676 39 residues pruned to eliminate duplicates Z: 23 42.101 2.247 0.677 0.929 0.955 0.909 CB 1.746 23 residues pruned to eliminate duplicates Z: 18 18.976 2.144 0.903 0.465 0.765 0.588 CB 1.529 18 residues pruned to eliminate duplicates Z: 10 23.638 2.303 0.980 0.838 0.778 0.778 CA 1.661 10 residues pruned to eliminate duplicates Z: 10 21.524 2.111 1.072 0.757 0.889 0.778 CB 1.467 10 residues pruned to eliminate duplicates Z: 18 31.789 2.119 0.481 0.929 1.000 0.941 CB 1.719 18 residues pruned to eliminate duplicates Z: 12 23.251 2.254 0.761 0.745 0.818 0.727 C 1.733 Z: 19 37.490 2.329 0.562 0.904 1.000 0.889 CB 1.730 19 residues pruned to eliminate duplicates Z: 31 60.895 2.389 0.844 0.833 1.000 0.867 CB 1.892 31 residues pruned to eliminate duplicates Z: 12 25.495 2.058 0.654 0.922 1.000 1.000 CB 1.589 12 residues pruned to eliminate duplicates Z: 35 42.623 2.360 1.111 0.540 0.853 0.647 CB 1.654 35 residues pruned to eliminate duplicates Z: 7 12.345 1.951 0.453 0.675 1.000 0.500 CA 1.512 7 residues pruned to eliminate duplicates Z: 9 27.575 2.444 0.835 0.774 0.875 0.875 CA 1.950 9 residues pruned to eliminate duplicates Z: 20 18.659 2.395 0.742 0.366 0.737 0.474 CB 1.609 20 residues pruned to eliminate duplicates Z: 13 35.422 2.186 0.881 0.915 1.000 0.833 CA 1.757 13 residues pruned to eliminate duplicates Z: 6 11.499 2.208 0.550 0.839 0.800 0.600 CA 1.403 6 residues pruned to eliminate duplicates Z: 13 25.708 2.188 0.515 0.913 1.000 1.000 CA 1.585 13 residues pruned to eliminate duplicates Z: 19 26.772 1.999 0.378 0.930 1.000 1.000 CB 1.602 19 residues pruned to eliminate duplicates Z: 9 16.922 2.011 0.524 0.879 0.875 0.750 CA 1.618 9 residues pruned to eliminate duplicates Z: 13 29.079 2.146 0.667 0.915 1.000 1.000 CA 1.658 13 residues pruned to eliminate duplicates Z: 30 39.204 2.305 0.916 0.564 0.931 0.690 CB 1.664 9 residues pruned to eliminate duplicates Z: 18 44.389 2.440 0.840 0.901 1.000 0.824 CB 1.711 18 residues pruned to eliminate duplicates Z: 25 66.096 2.431 1.074 0.946 0.958 0.958 CA 1.931 25 residues pruned to eliminate duplicates Z: 19 25.436 2.006 0.361 0.884 1.000 0.833 CB 1.588 19 residues pruned to eliminate duplicates Z: 84 73.163 2.399 0.964 0.588 0.916 0.675 CB 1.711 84 residues pruned to eliminate duplicates Z: 88 70.539 2.493 0.728 0.530 0.966 0.667 CB 1.766 88 residues pruned to eliminate duplicates Z: 9 15.970 1.992 0.698 0.806 1.000 1.000 CB 1.279 Z: 27 39.455 2.345 0.953 0.595 0.923 0.731 CB 1.672 27 residues pruned to eliminate duplicates Z: 24 37.714 2.297 1.022 0.564 0.957 0.609 CB 1.664 12 residues pruned to eliminate duplicates Z: 11 23.649 2.529 0.511 0.643 0.900 0.800 CB 1.903 11 residues pruned to eliminate duplicates Z: 10 11.435 1.917 0.423 0.746 0.778 0.778 CB 1.442 10 residues pruned to eliminate duplicates Z: 69 84.775 2.477 1.053 0.679 0.941 0.794 CB 1.823 69 residues pruned to eliminate duplicates Z: 23 44.159 2.097 0.949 0.916 1.000 0.818 CB 1.627 25 residues pruned to eliminate duplicates Z: 9 15.601 1.907 0.450 0.850 1.000 0.875 CA 1.478 9 residues pruned to eliminate duplicates Z: 22 41.152 2.151 0.737 0.916 1.000 0.905 CB 1.697 22 residues pruned to eliminate duplicates Z: 21 66.917 2.538 1.262 0.874 0.900 0.450 CB 2.108 21 residues pruned to eliminate duplicates Z: 7 12.722 1.877 0.397 0.746 1.000 0.833 CA 1.590 7 residues pruned to eliminate duplicates Z: 72 53.751 2.348 0.642 0.518 0.901 0.718 CB 1.804 72 residues pruned to eliminate duplicates Z: 19 29.087 2.047 0.441 0.917 1.000 1.000 CB 1.641 19 residues pruned to eliminate duplicates Z: 13 27.250 2.428 0.673 0.760 0.833 0.667 CB 1.844 13 residues pruned to eliminate duplicates Z: 8 18.387 2.265 0.430 0.817 1.000 0.714 CB 1.629 9 residues pruned to eliminate duplicates Z: 8 25.566 2.171 0.950 0.887 1.000 0.857 CB 1.646 8 residues pruned to eliminate duplicates Z: 18 20.416 2.246 0.795 0.545 0.765 0.588 CB 1.537 18 residues pruned to eliminate duplicates Z: 9 16.882 2.224 0.209 0.857 0.875 0.875 CB 1.869 9 residues pruned to eliminate duplicates Z: 13 24.292 1.971 0.848 0.915 0.917 0.833 CA 1.484 13 residues pruned to eliminate duplicates Z: 13 31.375 2.259 0.774 0.758 1.000 0.667 CA 1.795 13 residues pruned to eliminate duplicates Z: 13 12.706 2.132 0.455 0.532 0.750 0.583 CB 1.527 13 residues pruned to eliminate duplicates Z: 23 79.194 2.639 1.201 0.910 1.000 0.773 CB 2.062 23 residues pruned to eliminate duplicates Z: 12 25.309 2.250 0.810 0.741 0.909 0.636 CB 1.661 15 residues pruned to eliminate duplicates Z: 8 21.569 2.227 0.631 0.768 1.000 0.857 C 1.769 8 residues pruned to eliminate duplicates Z: 85 78.846 2.499 0.921 0.596 0.917 0.690 CB 1.784 85 residues pruned to eliminate duplicates Z: 6 13.467 2.061 0.537 0.798 1.000 0.800 CB 1.465 6 residues pruned to eliminate duplicates Z: 58 48.155 2.213 0.890 0.590 0.930 0.614 CB 1.505 58 residues pruned to eliminate duplicates Z: 24 43.670 2.145 0.906 0.896 0.957 0.826 CB 1.668 24 residues pruned to eliminate duplicates Z: 19 33.716 2.418 0.483 0.875 0.944 0.778 CB 1.707 19 residues pruned to eliminate duplicates Z: 9 20.049 2.076 0.616 0.808 1.000 0.750 C 1.615 9 residues pruned to eliminate duplicates Z: 9 35.769 2.413 1.419 0.818 1.000 0.875 CB 1.644 9 residues pruned to eliminate duplicates Z: 21 39.565 2.153 0.860 0.921 0.900 0.800 CB 1.727 21 residues pruned to eliminate duplicates Z: 7 9.910 1.806 0.263 0.805 1.000 0.667 CB 1.359 7 residues pruned to eliminate duplicates Z: 22 84.802 2.635 1.437 0.887 0.952 0.762 C 2.181 22 residues pruned to eliminate duplicates Z: 68 86.127 2.460 1.027 0.663 0.985 0.716 CB 1.842 68 residues pruned to eliminate duplicates Z: 38 35.360 2.298 0.588 0.513 0.919 0.649 CB 1.711 38 residues pruned to eliminate duplicates Z: 23 39.790 2.080 0.822 0.922 0.955 0.864 CB 1.649 23 residues pruned to eliminate duplicates Z: 42 38.055 2.293 0.772 0.485 0.854 0.610 CB 1.740 42 residues pruned to eliminate duplicates Z: 23 45.542 2.246 0.832 0.899 0.955 0.864 CB 1.767 23 residues pruned to eliminate duplicates Z: 23 51.075 2.463 0.702 0.920 1.000 0.864 CB 1.829 23 residues pruned to eliminate duplicates Z: 10 23.772 1.993 0.871 0.882 1.000 0.778 CA 1.537 10 residues pruned to eliminate duplicates Z: 6 9.435 2.280 0.061 0.792 0.800 0.600 CA 1.687 6 residues pruned to eliminate duplicates Z: 85 73.158 2.468 0.851 0.575 0.917 0.631 CB 1.774 85 residues pruned to eliminate duplicates Z: 68 53.007 2.304 0.570 0.576 0.955 0.672 CB 1.742 68 residues pruned to eliminate duplicates Z: 23 91.910 2.582 1.550 0.926 1.000 0.773 C 2.088 23 residues pruned to eliminate duplicates Z: 36 33.845 2.289 0.612 0.524 0.914 0.629 CB 1.657 36 residues pruned to eliminate duplicates Z: 21 50.871 2.220 1.074 0.918 1.000 0.900 CB 1.743 21 residues pruned to eliminate duplicates Z: 9 15.793 2.033 0.714 0.736 1.000 0.875 CB 1.297 9 residues pruned to eliminate duplicates Z: 38 62.650 2.425 1.016 0.748 0.946 0.811 CB 1.786 38 residues pruned to eliminate duplicates Z: 41 52.626 2.476 0.810 0.551 0.975 0.725 CB 1.812 41 residues pruned to eliminate duplicates Z: 61 64.318 2.384 1.125 0.598 0.917 0.633 CB 1.628 61 residues pruned to eliminate duplicates Z: 10 19.262 1.991 0.622 0.858 0.889 0.667 CA 1.647 10 residues pruned to eliminate duplicates Z: 19 20.787 2.143 0.772 0.556 0.833 0.611 CB 1.465 19 residues pruned to eliminate duplicates Z: 86 48.818 2.186 0.705 0.516 0.918 0.553 CB 1.525 59 residues pruned to eliminate duplicates Z: 26 22.783 1.911 0.721 0.637 0.880 0.760 CB 1.384 26 residues pruned to eliminate duplicates Z: 19 28.128 2.253 0.326 0.914 0.944 0.889 CB 1.662 19 residues pruned to eliminate duplicates Z: 24 78.021 2.569 1.341 0.877 0.957 0.652 CB 2.054 24 residues pruned to eliminate duplicates Z: 10 30.033 2.351 1.167 0.862 0.889 0.778 CB 1.624 10 residues pruned to eliminate duplicates Z: 40 38.071 2.233 0.828 0.520 0.949 0.615 CB 1.544 40 residues pruned to eliminate duplicates Z: 21 37.602 2.150 0.687 0.930 0.950 0.900 CB 1.707 21 residues pruned to eliminate duplicates Z: 9 33.813 2.340 1.216 0.802 1.000 0.875 CB 1.771 9 residues pruned to eliminate duplicates Z: 6 12.526 2.101 0.422 0.806 1.000 1.000 CB 1.436 6 residues pruned to eliminate duplicates Z: 7 8.410 2.076 -0.018 0.847 0.833 0.667 CB 1.499 7 residues pruned to eliminate duplicates Z: 96 64.894 2.430 0.761 0.498 0.884 0.621 CB 1.764 96 residues pruned to eliminate duplicates Z: 13 21.143 2.134 0.690 0.741 0.917 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 17 17.367 1.970 0.217 0.933 1.000 0.812 CB 1.264 17 residues pruned to eliminate duplicates Z: 79 47.886 2.165 0.748 0.589 0.897 0.654 CB 1.467 81 residues pruned to eliminate duplicates Z: 22 46.403 2.182 0.904 0.912 1.000 0.810 CB 1.727 22 residues pruned to eliminate duplicates Z: 24 39.580 2.057 0.862 0.880 0.957 0.826 CB 1.632 24 residues pruned to eliminate duplicates Z: 9 24.539 2.589 0.152 0.889 1.000 0.875 CA 2.094 9 residues pruned to eliminate duplicates Z: 16 14.549 1.892 0.116 0.933 1.000 0.933 CB 1.242 16 residues pruned to eliminate duplicates Z: 78 40.268 2.177 0.515 0.543 0.935 0.649 CB 1.427 78 residues pruned to eliminate duplicates Z: 23 16.341 1.854 0.625 0.491 0.864 0.591 CB 1.351 23 residues pruned to eliminate duplicates Z: 10 21.716 2.288 0.294 0.855 1.000 0.889 CB 1.805 10 residues pruned to eliminate duplicates Z: 9 23.256 2.098 0.711 0.856 1.000 1.000 CA 1.689 9 residues pruned to eliminate duplicates Z: 13 28.549 2.375 0.606 0.755 1.000 0.833 CB 1.722 13 residues pruned to eliminate duplicates Z: 8 19.096 2.257 0.377 0.848 1.000 0.857 CA 1.723 8 residues pruned to eliminate duplicates Z: 30 34.680 2.247 0.923 0.537 0.931 0.655 CB 1.544 30 residues pruned to eliminate duplicates Z: 6 7.003 2.042 0.170 0.568 1.000 0.400 CB 1.226 6 residues pruned to eliminate duplicates Z: 7 4.818 1.867 0.656 0.387 0.833 0.667 CB 0.861 7 residues pruned to eliminate duplicates Z: 22 87.509 2.660 1.422 0.920 0.952 0.905 CB 2.192 22 residues pruned to eliminate duplicates Z: 12 33.349 2.310 0.921 0.770 0.909 0.636 CB 1.962 12 residues pruned to eliminate duplicates Z: 44 46.004 2.400 0.733 0.489 0.930 0.605 CB 1.833 44 residues pruned to eliminate duplicates Z: 23 82.548 2.569 1.300 0.920 1.000 0.773 C 2.098 23 residues pruned to eliminate duplicates Z: 64 53.973 2.355 0.918 0.581 0.873 0.508 CB 1.595 64 residues pruned to eliminate duplicates Z: 48 42.592 2.293 0.961 0.528 0.872 0.574 CB 1.540 48 residues pruned to eliminate duplicates Z: 21 43.904 2.399 1.075 0.709 0.900 0.700 CB 1.813 21 residues pruned to eliminate duplicates Z: 10 19.651 2.043 0.737 0.827 1.000 0.667 CB 1.391 10 residues pruned to eliminate duplicates Z: 13 24.065 1.921 0.750 0.922 1.000 0.833 CB 1.453 13 residues pruned to eliminate duplicates Z: 35 39.166 2.259 0.851 0.540 0.941 0.647 CB 1.642 35 residues pruned to eliminate duplicates Z: 75 72.862 2.478 0.798 0.621 0.932 0.649 CB 1.818 75 residues pruned to eliminate duplicates Z: 65 53.554 2.357 0.717 0.544 0.906 0.703 CB 1.748 65 residues pruned to eliminate duplicates Z: 8 40.076 2.471 1.516 0.804 1.000 0.714 CA 1.868 8 residues pruned to eliminate duplicates Z: 22 41.051 2.180 0.675 0.908 1.000 0.762 CB 1.743 22 residues pruned to eliminate duplicates Z: 23 41.881 2.118 0.787 0.902 1.000 0.909 CB 1.683 23 residues pruned to eliminate duplicates Z: 9 14.036 1.946 0.576 0.748 0.875 0.750 CB 1.481 9 residues pruned to eliminate duplicates Z: 9 38.811 2.304 1.416 0.799 1.000 0.875 CA 1.897 9 residues pruned to eliminate duplicates Z: 23 35.222 2.065 0.624 0.892 1.000 0.818 CB 1.609 23 residues pruned to eliminate duplicates Z: 24 33.101 2.036 0.506 0.929 1.000 0.913 CB 1.575 24 residues pruned to eliminate duplicates Z: 36 32.239 2.249 0.741 0.521 0.886 0.686 CB 1.538 36 residues pruned to eliminate duplicates Z: 72 55.933 2.372 0.664 0.536 0.915 0.690 CB 1.772 72 residues pruned to eliminate duplicates Z: 23 55.404 2.267 1.073 0.917 1.000 0.864 CA 1.774 23 residues pruned to eliminate duplicates Z: 9 16.490 1.923 0.602 0.848 1.000 0.875 CB 1.404 9 residues pruned to eliminate duplicates Z: 24 50.091 2.179 1.017 0.895 1.000 0.652 CB 1.704 24 residues pruned to eliminate duplicates Z: 6 6.079 2.079 0.632 0.423 0.600 0.600 CB 1.447 6 residues pruned to eliminate duplicates Z: 9 22.520 2.074 0.686 0.904 1.000 1.000 CB 1.622 9 residues pruned to eliminate duplicates Z: 17 13.653 1.869 0.648 0.537 0.875 0.625 CB 1.221 16 residues pruned to eliminate duplicates Z: 24 38.186 2.030 0.784 0.907 0.957 0.739 CB 1.633 24 residues pruned to eliminate duplicates Z: 19 27.109 2.011 0.492 0.865 1.000 0.889 CB 1.560 19 residues pruned to eliminate duplicates Z: 7 5.992 1.653 0.216 0.678 0.833 0.833 CA 1.240 7 residues pruned to eliminate duplicates Z: 7 4.440 1.563 0.620 0.242 0.833 0.500 CB 1.157 7 residues pruned to eliminate duplicates Z: 22 93.915 2.759 1.421 0.931 0.952 0.905 CB 2.252 22 residues pruned to eliminate duplicates Z: 71 58.857 2.385 0.708 0.541 0.914 0.714 CB 1.814 71 residues pruned to eliminate duplicates Z: 11 15.481 1.942 1.034 0.670 0.800 0.800 CB 1.323 11 residues pruned to eliminate duplicates Z: 10 19.952 2.052 0.487 0.844 0.889 0.889 CA 1.823 10 residues pruned to eliminate duplicates Z: 7 30.716 2.558 0.752 0.897 1.000 0.833 CB 2.002 7 residues pruned to eliminate duplicates Z: 107 59.348 2.308 0.816 0.519 0.868 0.613 CB 1.555 107 residues pruned to eliminate duplicates Z: 40 25.327 2.007 0.567 0.599 0.949 0.692 CB 1.238 40 residues pruned to eliminate duplicates Z: 12 30.023 2.329 0.611 0.897 0.909 0.818 CB 1.900 12 residues pruned to eliminate duplicates Z: 20 18.827 2.071 1.031 0.456 0.789 0.632 CB 1.361 20 residues pruned to eliminate duplicates Z: 40 37.358 2.101 0.749 0.662 0.897 0.641 CB 1.561 40 residues pruned to eliminate duplicates Z: 8 8.487 1.849 0.073 0.837 0.857 0.857 CB 1.411 8 residues pruned to eliminate duplicates Z: 22 53.665 2.343 0.766 0.937 1.000 0.952 CB 1.969 22 residues pruned to eliminate duplicates Z: 59 57.681 2.412 0.818 0.540 0.948 0.655 CB 1.751 59 residues pruned to eliminate duplicates Z: 22 43.800 2.153 1.024 0.920 0.905 0.810 CB 1.707 22 residues pruned to eliminate duplicates Z: 25 58.873 2.474 0.824 0.897 1.000 0.792 CB 1.907 25 residues pruned to eliminate duplicates Z: 18 34.615 2.104 0.876 0.922 0.941 0.706 CB 1.589 18 residues pruned to eliminate duplicates Z: 14 20.914 1.842 0.755 0.922 0.923 0.923 CA 1.366 14 residues pruned to eliminate duplicates Z: 22 41.385 2.159 0.706 0.904 1.000 0.762 CB 1.747 22 residues pruned to eliminate duplicates Z: 7 3.730 1.470 0.599 0.530 0.667 0.667 CA 0.943 7 residues pruned to eliminate duplicates Z: 18 31.039 2.094 0.573 0.890 1.000 0.882 CB 1.644 18 residues pruned to eliminate duplicates Z: 139 93.964 2.479 0.929 0.557 0.920 0.652 CB 1.720 139 residues pruned to eliminate duplicates Z: 9 31.710 2.416 0.894 0.900 1.000 1.000 CB 1.750 9 residues pruned to eliminate duplicates Z: 12 29.441 2.184 0.803 0.899 0.909 0.636 CA 1.772 12 residues pruned to eliminate duplicates Z: 24 37.112 2.035 0.718 0.910 1.000 0.913 CB 1.570 24 residues pruned to eliminate duplicates Z: 23 37.310 2.071 0.830 0.891 0.955 0.864 CB 1.581 23 residues pruned to eliminate duplicates Z: 14 23.543 1.918 0.836 0.891 0.923 0.846 CB 1.445 14 residues pruned to eliminate duplicates Z: 14 19.663 1.822 0.700 0.902 0.923 0.923 CA 1.361 14 residues pruned to eliminate duplicates Z: 23 42.864 2.099 1.019 0.885 0.955 0.818 CB 1.631 23 residues pruned to eliminate duplicates Z: 7 6.383 2.015 -0.012 0.593 0.833 0.667 CB 1.438 7 residues pruned to eliminate duplicates Z: 24 44.537 2.041 1.084 0.927 0.957 0.783 CB 1.600 24 residues pruned to eliminate duplicates Z: 109 89.593 2.531 0.825 0.577 0.907 0.676 CB 1.909 109 residues pruned to eliminate duplicates Z: 23 48.662 2.111 1.063 0.900 1.000 0.773 CB 1.701 23 residues pruned to eliminate duplicates Z: 14 19.776 2.249 0.677 0.510 0.846 0.769 CB 1.701 14 residues pruned to eliminate duplicates Z: 138 95.879 2.474 0.767 0.588 0.942 0.708 CB 1.829 143 residues pruned to eliminate duplicates Z: 20 26.610 2.130 0.684 0.700 0.895 0.684 CB 1.585 20 residues pruned to eliminate duplicates Z: 6 10.551 2.225 0.612 0.656 0.800 0.800 CA 1.422 6 residues pruned to eliminate duplicates Z: 24 17.345 1.914 0.403 0.586 0.913 0.696 CB 1.358 24 residues pruned to eliminate duplicates Z: 11 34.398 2.513 0.647 0.731 1.000 0.600 CA 2.134 11 residues pruned to eliminate duplicates Z: 8 19.688 2.211 0.601 0.852 1.000 0.857 CB 1.556 8 residues pruned to eliminate duplicates Z: 37 42.370 2.343 0.721 0.557 0.944 0.694 CB 1.754 37 residues pruned to eliminate duplicates Z: 7 27.269 2.561 0.703 0.796 1.000 1.000 CA 1.970 7 residues pruned to eliminate duplicates Z: 10 39.488 2.437 1.074 0.910 1.000 0.889 CB 1.847 10 residues pruned to eliminate duplicates Z: 43 31.214 2.176 0.695 0.463 0.905 0.548 CB 1.499 43 residues pruned to eliminate duplicates Z: 10 12.244 1.859 0.827 0.573 0.889 0.556 CB 1.260 10 residues pruned to eliminate duplicates Z: 9 25.097 2.083 0.727 0.881 1.000 1.000 C 1.786 9 residues pruned to eliminate duplicates Z: 24 53.354 2.513 0.668 0.869 0.957 0.826 CB 2.026 24 residues pruned to eliminate duplicates Z: 17 15.503 1.881 0.245 0.926 0.938 0.938 CB 1.238 17 residues pruned to eliminate duplicates Z: 14 21.873 1.839 0.597 0.928 1.000 1.000 CA 1.447 14 residues pruned to eliminate duplicates Z: 12 7.018 1.859 0.705 0.303 0.727 0.545 CB 1.143 12 residues pruned to eliminate duplicates Z: 32 27.076 2.257 0.568 0.500 0.903 0.645 CB 1.522 32 residues pruned to eliminate duplicates Z: 19 14.851 1.908 0.326 0.844 0.944 0.889 CB 1.090 19 residues pruned to eliminate duplicates Z: 17 11.372 1.631 0.145 0.912 0.938 0.812 CB 1.150 10 residues pruned to eliminate duplicates Z: 10 35.367 2.324 1.098 0.879 1.000 0.889 CB 1.754 10 residues pruned to eliminate duplicates Z: 16 12.809 1.941 0.031 0.903 1.000 0.933 CB 1.178 16 residues pruned to eliminate duplicates Z: 24 38.597 2.047 0.864 0.887 0.957 0.870 CB 1.590 24 residues pruned to eliminate duplicates Z: 19 14.006 2.064 0.724 0.429 0.778 0.556 CB 1.284 19 residues pruned to eliminate duplicates Z: 21 69.758 2.556 1.033 0.945 1.000 0.950 CA 2.077 21 residues pruned to eliminate duplicates Z: 15 23.115 1.848 0.751 0.924 1.000 0.857 CA 1.340 15 residues pruned to eliminate duplicates Z: 137 107.308 2.478 0.944 0.600 0.934 0.676 CB 1.859 137 residues pruned to eliminate duplicates Z: 38 39.826 2.161 0.691 0.658 0.892 0.595 CB 1.735 38 residues pruned to eliminate duplicates Z: 32 22.779 2.078 0.571 0.505 0.903 0.677 CB 1.380 32 residues pruned to eliminate duplicates Z: 105 92.744 2.501 0.904 0.603 0.923 0.692 CB 1.876 105 residues pruned to eliminate duplicates Z: 65 61.173 2.206 0.949 0.636 0.953 0.688 CB 1.643 64 residues pruned to eliminate duplicates Z: 24 34.344 2.020 0.700 0.931 0.957 0.870 CB 1.524 24 residues pruned to eliminate duplicates Z: 23 55.316 2.251 1.111 0.912 1.000 0.818 CB 1.757 23 residues pruned to eliminate duplicates Z: 39 33.818 2.280 0.630 0.504 0.921 0.684 CB 1.596 39 residues pruned to eliminate duplicates Z: 19 11.706 1.803 0.047 0.898 0.944 0.944 CB 1.107 19 residues pruned to eliminate duplicates Z: 24 23.024 1.969 0.611 0.626 0.957 0.739 CB 1.405 24 residues pruned to eliminate duplicates Z: 10 16.883 1.813 0.514 0.931 1.000 1.000 CB 1.433 10 residues pruned to eliminate duplicates Z: 10 17.540 1.793 0.695 0.931 1.000 1.000 CB 1.345 10 residues pruned to eliminate duplicates Z: 24 53.790 2.191 1.157 0.882 1.000 0.696 CB 1.718 24 residues pruned to eliminate duplicates Z: 24 33.111 2.009 0.680 0.919 0.957 0.870 CB 1.508 24 residues pruned to eliminate duplicates Z: 37 61.300 2.314 0.974 0.780 1.000 0.833 CB 1.747 37 residues pruned to eliminate duplicates Z: 18 31.645 2.049 0.548 0.906 1.000 0.882 CB 1.721 18 residues pruned to eliminate duplicates Z: 10 11.042 1.977 0.482 0.792 0.778 0.667 CB 1.250 10 residues pruned to eliminate duplicates Z: 104 83.936 2.377 0.928 0.591 0.932 0.612 CB 1.774 104 residues pruned to eliminate duplicates Z: 39 57.683 2.404 1.144 0.572 0.974 0.816 CB 1.739 39 residues pruned to eliminate duplicates Z: 16 10.614 1.631 0.140 0.918 1.000 0.800 CB 1.039 16 residues pruned to eliminate duplicates Z: 23 49.196 2.249 0.919 0.901 1.000 0.818 CB 1.734 23 residues pruned to eliminate duplicates Z: 9 23.220 2.000 0.793 0.838 1.000 0.750 CB 1.711 9 residues pruned to eliminate duplicates Z: 32 30.629 2.156 0.915 0.504 0.871 0.645 CB 1.524 32 residues pruned to eliminate duplicates Z: 80 57.221 2.409 0.785 0.552 0.861 0.570 CB 1.654 80 residues pruned to eliminate duplicates Z: 67 72.531 2.511 0.840 0.629 0.894 0.712 CB 1.914 67 residues pruned to eliminate duplicates Z: 46 44.830 2.486 0.712 0.504 0.911 0.600 CB 1.716 46 residues pruned to eliminate duplicates Z: 22 35.737 2.287 0.998 0.631 0.905 0.571 CB 1.668 22 residues pruned to eliminate duplicates Z: 23 51.451 2.240 0.951 0.888 1.000 0.909 CB 1.808 23 residues pruned to eliminate duplicates Z: 37 60.206 2.306 0.944 0.784 0.972 0.806 CB 1.794 37 residues pruned to eliminate duplicates Z: 23 56.984 2.259 1.097 0.904 1.000 0.727 CB 1.826 23 residues pruned to eliminate duplicates Z: 95 71.283 2.430 0.890 0.563 0.894 0.670 CB 1.686 95 residues pruned to eliminate duplicates Z: 22 56.635 2.321 1.008 0.916 1.000 0.714 CB 1.872 22 residues pruned to eliminate duplicates Z: 42 35.367 2.167 0.682 0.549 0.927 0.756 CB 1.558 42 residues pruned to eliminate duplicates Z: 23 56.216 2.261 1.146 0.913 1.000 0.909 CB 1.747 23 residues pruned to eliminate duplicates Z: 44 40.944 2.369 0.625 0.492 0.930 0.628 CB 1.757 44 residues pruned to eliminate duplicates Z: 11 3.703 1.346 0.412 0.328 0.700 0.400 C 1.063 Z: 23 38.749 2.093 0.705 0.891 1.000 0.818 CB 1.664 23 residues pruned to eliminate duplicates Z: 12 28.129 2.246 0.616 0.779 1.000 0.818 CB 1.828 12 residues pruned to eliminate duplicates Z: 7 10.917 1.774 0.627 0.590 1.000 0.833 CA 1.416 7 residues pruned to eliminate duplicates Z: 23 53.565 2.463 0.772 0.890 0.955 0.909 CB 1.972 23 residues pruned to eliminate duplicates Z: 71 51.900 2.219 0.788 0.582 0.957 0.714 CB 1.509 71 residues pruned to eliminate duplicates Z: 109 62.794 2.195 0.764 0.567 0.935 0.602 CB 1.564 109 residues pruned to eliminate duplicates Z: 6 8.675 1.900 0.313 0.811 1.000 0.800 CA 1.186 6 residues pruned to eliminate duplicates Z: 100 88.516 2.474 0.897 0.582 0.929 0.646 CB 1.884 100 residues pruned to eliminate duplicates Z: 18 38.521 2.118 0.968 0.917 0.941 0.588 CB 1.680 18 residues pruned to eliminate duplicates Z: 23 44.559 2.080 1.072 0.907 0.955 0.727 CB 1.641 23 residues pruned to eliminate duplicates Z: 44 35.932 2.159 0.777 0.522 0.930 0.698 CB 1.502 44 residues pruned to eliminate duplicates Z: 27 16.566 2.020 0.475 0.514 0.808 0.615 CB 1.332 27 residues pruned to eliminate duplicates Z: 6 14.946 2.184 0.337 0.793 1.000 0.400 CB 1.770 6 residues pruned to eliminate duplicates Z: 16 10.411 1.893 0.326 0.415 1.000 0.533 CB 1.170 17 residues pruned to eliminate duplicates Z: 18 24.934 2.109 0.327 0.849 1.000 0.824 CB 1.602 18 residues pruned to eliminate duplicates Z: 106 88.339 2.386 1.003 0.573 0.943 0.657 CB 1.783 106 residues pruned to eliminate duplicates Z: 18 15.299 1.866 0.241 0.901 0.941 0.882 CB 1.216 18 residues pruned to eliminate duplicates Z: 16 12.091 1.884 0.040 0.930 1.000 0.933 CB 1.114 16 residues pruned to eliminate duplicates Z: 95 50.757 2.252 0.598 0.559 0.883 0.670 CB 1.556 95 residues pruned to eliminate duplicates Z: 42 31.627 2.203 0.707 0.451 0.902 0.659 CB 1.531 42 residues pruned to eliminate duplicates Z: 96 51.186 2.250 0.615 0.532 0.905 0.642 CB 1.546 96 residues pruned to eliminate duplicates Z: 15 13.262 1.934 0.553 0.510 0.857 0.571 CB 1.363 15 residues pruned to eliminate duplicates Z: 88 63.404 2.242 0.858 0.588 0.920 0.655 CB 1.631 88 residues pruned to eliminate duplicates Z: 18 19.722 1.933 0.414 0.924 1.000 0.941 CB 1.229 18 residues pruned to eliminate duplicates Z: 14 21.587 1.796 0.713 0.909 1.000 0.923 CA 1.381 14 residues pruned to eliminate duplicates Z: 38 35.283 2.206 0.795 0.596 0.919 0.622 CB 1.455 38 residues pruned to eliminate duplicates Z: 144 97.436 2.398 0.906 0.600 0.944 0.643 CB 1.717 260 residues pruned to eliminate duplicates Z: 15 22.819 2.050 0.465 0.871 0.929 0.929 CB 1.595 15 residues pruned to eliminate duplicates Z: 11 15.120 1.790 0.488 0.932 1.000 1.000 CB 1.253 11 residues pruned to eliminate duplicates Z: 18 15.802 1.624 0.387 0.896 1.000 0.824 CB 1.219 Z: 61 72.094 2.436 1.112 0.615 0.900 0.533 CB 1.802 61 residues pruned to eliminate duplicates Z: 9 22.145 2.092 0.695 0.847 1.000 0.750 CB 1.639 9 residues pruned to eliminate duplicates Z: 17 14.403 1.868 0.089 0.946 1.000 1.000 CB 1.225 17 residues pruned to eliminate duplicates Z: 19 14.524 2.078 0.500 0.419 0.889 0.611 CB 1.344 19 residues pruned to eliminate duplicates Z: 67 73.972 2.533 0.806 0.659 0.924 0.742 CB 1.858 67 residues pruned to eliminate duplicates Z: 63 85.826 2.569 0.995 0.637 0.968 0.694 CB 1.933 63 residues pruned to eliminate duplicates Z: 56 49.073 2.409 0.786 0.519 0.891 0.709 CB 1.694 56 residues pruned to eliminate duplicates Z: 20 25.634 2.289 0.548 0.444 1.000 0.632 CB 1.758 20 residues pruned to eliminate duplicates Z: 42 35.694 2.259 0.540 0.489 0.951 0.659 CB 1.703 42 residues pruned to eliminate duplicates Z: 18 46.717 2.440 1.004 0.936 0.941 0.529 CB 1.714 18 residues pruned to eliminate duplicates Z: 11 25.699 2.496 0.576 0.665 0.900 0.700 CB 1.971 11 residues pruned to eliminate duplicates Z: 38 38.313 2.339 0.974 0.551 0.811 0.649 CB 1.601 35 residues pruned to eliminate duplicates Z: 137 93.715 2.433 0.784 0.591 0.941 0.699 CB 1.804 131 residues pruned to eliminate duplicates Z: 10 10.927 1.988 0.370 0.571 0.889 0.556 CB 1.405 10 residues pruned to eliminate duplicates Z: 6 9.844 1.948 0.309 0.855 1.000 0.600 CA 1.275 6 residues pruned to eliminate duplicates Z: 36 24.519 1.964 0.801 0.597 0.829 0.600 CB 1.289 29 residues pruned to eliminate duplicates Z: 74 40.936 2.133 0.675 0.547 0.904 0.644 CB 1.417 74 residues pruned to eliminate duplicates Z: 32 33.942 2.354 0.835 0.455 0.871 0.516 CB 1.696 32 residues pruned to eliminate duplicates Z: 18 34.543 2.081 0.813 0.928 0.941 0.765 CB 1.652 18 residues pruned to eliminate duplicates Z: 12 7.770 1.550 0.611 0.495 0.818 0.636 CB 1.153 Z: 70 77.789 2.593 0.849 0.612 0.899 0.710 CB 1.954 70 residues pruned to eliminate duplicates Z: 89 69.531 2.486 0.755 0.541 0.955 0.705 CB 1.708 89 residues pruned to eliminate duplicates Z: 17 11.269 1.678 0.408 0.632 0.875 0.688 CB 1.204 17 residues pruned to eliminate duplicates Z: 21 98.203 2.744 1.494 0.931 1.000 0.800 CB 2.243 21 residues pruned to eliminate duplicates Z: 17 12.194 1.603 0.151 0.903 1.000 0.875 CB 1.177 17 residues pruned to eliminate duplicates Z: 22 48.093 2.168 1.179 0.897 0.952 0.905 CB 1.670 22 residues pruned to eliminate duplicates Z: 12 30.610 2.633 0.280 0.830 1.000 0.909 CA 2.059 12 residues pruned to eliminate duplicates Z: 10 14.996 1.708 0.557 0.896 1.000 0.889 CB 1.347 10 residues pruned to eliminate duplicates Z: 37 53.450 2.282 0.847 0.787 0.944 0.833 CB 1.738 37 residues pruned to eliminate duplicates Z: 7 23.920 2.530 0.648 0.825 1.000 0.667 CA 1.767 7 residues pruned to eliminate duplicates Z: 59 79.771 2.599 0.885 0.660 0.914 0.672 CB 2.017 59 residues pruned to eliminate duplicates Z: 12 5.258 1.517 0.575 0.321 0.818 0.455 C 0.988 Z: 23 89.912 2.626 1.354 0.922 1.000 0.636 CA 2.181 23 residues pruned to eliminate duplicates Z: 17 13.133 1.657 0.279 0.927 0.938 0.875 CB 1.158 17 residues pruned to eliminate duplicates Z: 16 12.731 1.686 0.300 0.914 0.933 0.800 CB 1.136 16 residues pruned to eliminate duplicates Z: 21 76.005 2.525 1.272 0.942 1.000 0.950 CA 2.055 21 residues pruned to eliminate duplicates Z: 65 39.643 2.193 0.521 0.577 0.938 0.719 CB 1.472 65 residues pruned to eliminate duplicates Z: 49 39.215 2.237 0.699 0.521 0.917 0.604 CB 1.592 49 residues pruned to eliminate duplicates Z: 33 46.236 2.428 0.757 0.554 0.906 0.688 CB 2.005 33 residues pruned to eliminate duplicates Z: 107 78.606 2.404 0.806 0.589 0.906 0.632 CB 1.784 107 residues pruned to eliminate duplicates Z: 16 18.400 1.900 0.444 0.909 1.000 0.800 CB 1.229 16 residues pruned to eliminate duplicates Z: 19 27.531 2.498 0.663 0.463 0.889 0.611 CA 1.824 19 residues pruned to eliminate duplicates Z: 22 54.611 2.320 0.996 0.902 1.000 0.619 CB 1.836 22 residues pruned to eliminate duplicates Z: 32 34.018 2.202 0.821 0.575 0.871 0.613 CB 1.628 12 residues pruned to eliminate duplicates Z: 65 48.226 2.392 0.585 0.534 0.938 0.703 CB 1.641 65 residues pruned to eliminate duplicates Z: 7 10.985 2.035 0.421 0.869 1.000 0.667 CA 1.134 7 residues pruned to eliminate duplicates Z: 23 35.216 2.331 0.632 0.625 1.000 0.773 CB 1.755 23 residues pruned to eliminate duplicates Z: 35 43.861 2.420 0.871 0.522 0.882 0.588 CB 1.841 35 residues pruned to eliminate duplicates Z: 12 37.333 2.510 0.911 0.758 1.000 0.364 CB 1.866 12 residues pruned to eliminate duplicates Z: 18 9.380 1.808 0.376 0.412 0.941 0.529 CB 1.066 18 residues pruned to eliminate duplicates Z: 14 11.931 1.518 0.631 0.770 0.846 0.692 CA 1.244 14 residues pruned to eliminate duplicates Z: 11 7.025 1.805 0.308 0.456 0.900 0.700 CB 1.094 11 residues pruned to eliminate duplicates Z: 59 52.077 2.360 0.905 0.509 0.897 0.672 CB 1.681 59 residues pruned to eliminate duplicates Z: 10 28.420 2.310 0.679 0.828 1.000 0.889 CA 1.840 10 residues pruned to eliminate duplicates Z: 13 23.185 1.935 0.817 0.900 1.000 0.833 CB 1.360 13 residues pruned to eliminate duplicates Z: 65 48.843 2.376 0.654 0.549 0.922 0.688 CB 1.606 65 residues pruned to eliminate duplicates Z: 6 3.303 1.652 0.383 0.251 0.800 0.400 CA 1.075 Z: 66 43.031 2.228 0.691 0.496 0.892 0.585 CB 1.593 32 residues pruned to eliminate duplicates Z: 6 7.630 1.794 0.100 0.784 1.000 0.600 CB 1.347 6 residues pruned to eliminate duplicates Z: 15 19.191 1.812 0.495 0.932 1.000 0.857 CA 1.323 15 residues pruned to eliminate duplicates Z: 14 20.015 1.809 0.721 0.921 0.923 0.923 CA 1.360 14 residues pruned to eliminate duplicates Z: 22 32.421 2.253 0.914 0.604 0.952 0.667 CB 1.561 22 residues pruned to eliminate duplicates Z: 10 23.041 2.226 0.651 0.793 0.889 0.778 C 1.819 10 residues pruned to eliminate duplicates Z: 18 39.934 2.086 1.117 0.931 1.000 0.824 CB 1.532 18 residues pruned to eliminate duplicates Z: 13 33.914 2.437 0.747 0.813 1.000 0.750 CA 1.750 13 residues pruned to eliminate duplicates Z: 51 56.192 2.376 0.911 0.662 0.900 0.700 CB 1.674 51 residues pruned to eliminate duplicates Z: 61 50.983 2.348 0.627 0.553 0.917 0.700 CB 1.785 61 residues pruned to eliminate duplicates Z: 10 39.575 2.351 1.169 0.913 1.000 1.000 CB 1.832 10 residues pruned to eliminate duplicates Z: 39 28.430 2.045 0.643 0.625 0.947 0.763 CB 1.287 39 residues pruned to eliminate duplicates Z: 14 22.798 1.831 0.790 0.880 1.000 0.769 CA 1.398 14 residues pruned to eliminate duplicates Z: 6 6.797 1.734 0.469 0.711 0.800 0.800 CA 1.232 6 residues pruned to eliminate duplicates Z: 70 72.047 2.400 0.903 0.622 0.942 0.652 CB 1.797 70 residues pruned to eliminate duplicates Z: 32 44.434 2.211 0.946 0.660 0.968 0.613 CB 1.653 32 residues pruned to eliminate duplicates Z: 18 19.712 1.876 0.447 0.923 1.000 0.824 CB 1.237 18 residues pruned to eliminate duplicates Z: 23 41.198 2.053 1.045 0.885 0.955 0.409 CB 1.582 23 residues pruned to eliminate duplicates Z: 19 34.941 2.308 0.499 0.924 1.000 1.000 CB 1.671 19 residues pruned to eliminate duplicates Z: 62 81.813 2.606 0.873 0.656 0.951 0.639 CB 1.953 62 residues pruned to eliminate duplicates Z: 37 53.543 2.309 0.798 0.775 0.944 0.750 CB 1.785 37 residues pruned to eliminate duplicates Z: 23 49.132 2.106 1.204 0.929 0.955 0.818 CB 1.655 23 residues pruned to eliminate duplicates Z: 43 65.037 2.499 0.846 0.686 0.952 0.690 CB 1.927 43 residues pruned to eliminate duplicates Z: 17 19.410 1.939 0.468 0.892 1.000 0.688 CB 1.224 17 residues pruned to eliminate duplicates Z: 86 61.324 2.169 0.793 0.624 0.965 0.659 CB 1.577 153 residues pruned to eliminate duplicates Z: 9 25.150 2.363 0.383 0.921 1.000 1.000 CB 1.916 9 residues pruned to eliminate duplicates Z: 26 18.928 1.862 0.610 0.595 0.880 0.640 CB 1.310 26 residues pruned to eliminate duplicates Z: 22 34.917 2.158 0.534 0.889 0.952 0.810 CB 1.740 Z: 17 17.567 1.936 0.335 0.931 1.000 0.875 CB 1.187 17 residues pruned to eliminate duplicates Z: 12 14.670 2.140 0.848 0.518 0.818 0.636 CB 1.343 12 residues pruned to eliminate duplicates Z: 26 39.836 2.329 0.906 0.646 0.920 0.720 CB 1.703 26 residues pruned to eliminate duplicates Z: 11 13.279 2.084 0.590 0.478 0.800 0.700 CB 1.619 11 residues pruned to eliminate duplicates Z: 11 8.932 1.791 0.122 0.480 1.000 0.700 CB 1.435 11 residues pruned to eliminate duplicates Z: 16 20.747 1.992 0.462 0.951 1.000 0.933 CB 1.268 16 residues pruned to eliminate duplicates Z: 10 29.752 2.315 1.031 0.883 1.000 0.889 CB 1.525 Z: 25 39.934 2.326 0.815 0.645 1.000 0.833 CB 1.687 25 residues pruned to eliminate duplicates Z: 12 8.343 1.886 0.287 0.504 0.818 0.455 CB 1.261 Z: 12 14.083 2.208 0.462 0.579 0.727 0.636 CB 1.676 Z: 7 3.052 1.726 -0.118 0.339 0.833 0.500 CB 1.171 Z: 76 54.607 2.366 0.559 0.543 0.933 0.693 CB 1.756 76 residues pruned to eliminate duplicates Z: 10 20.059 2.334 0.345 0.849 1.000 0.667 CA 1.579 10 residues pruned to eliminate duplicates Z: 11 22.441 2.100 0.708 0.624 1.000 0.900 CB 1.760 11 residues pruned to eliminate duplicates Z: 9 29.454 2.328 1.307 0.657 0.875 0.750 CB 1.916 9 residues pruned to eliminate duplicates Z: 18 36.797 2.074 1.113 0.901 0.941 0.647 CB 1.545 18 residues pruned to eliminate duplicates Z: 10 29.107 2.342 0.669 0.877 0.889 0.778 CA 2.027 10 residues pruned to eliminate duplicates Z: 12 24.404 2.055 0.621 0.934 1.000 0.909 CB 1.540 12 residues pruned to eliminate duplicates Z: 11 14.642 2.134 0.358 0.572 1.000 0.700 CB 1.490 33 residues pruned to eliminate duplicates Z: 7 5.669 1.627 0.505 0.533 0.833 0.500 CB 1.098 7 residues pruned to eliminate duplicates Z: 6 5.720 1.894 -0.049 0.713 1.000 0.600 CB 1.171 6 residues pruned to eliminate duplicates Z: 37 61.301 2.314 0.920 0.796 1.000 0.778 CB 1.774 37 residues pruned to eliminate duplicates Z: 35 34.061 2.037 0.722 0.644 0.971 0.618 CB 1.500 35 residues pruned to eliminate duplicates Z: 9 18.738 2.118 0.671 0.865 0.875 0.625 CB 1.567 9 residues pruned to eliminate duplicates Z: 26 26.877 1.968 0.851 0.636 0.960 0.600 CB 1.352 26 residues pruned to eliminate duplicates Z: 20 17.589 2.062 0.741 0.499 0.842 0.632 CB 1.337 20 residues pruned to eliminate duplicates Z: 8 2.971 1.455 0.524 0.295 0.714 0.286 CB 0.892 Z: 100 84.542 2.425 0.891 0.601 0.929 0.697 CB 1.812 100 residues pruned to eliminate duplicates Z: 11 29.694 2.084 1.065 0.922 1.000 0.800 CB 1.535 11 residues pruned to eliminate duplicates Z: 7 10.867 1.998 0.402 0.822 1.000 0.667 CA 1.198 7 residues pruned to eliminate duplicates Z: 58 63.045 2.329 0.837 0.659 0.965 0.719 CB 1.746 58 residues pruned to eliminate duplicates Z: 7 4.177 2.090 0.304 0.334 0.667 0.333 CB 1.126 7 residues pruned to eliminate duplicates Z: 41 37.030 2.320 0.755 0.476 0.850 0.475 CB 1.733 41 residues pruned to eliminate duplicates Z: 6 2.259 1.268 -0.074 0.818 1.000 0.800 C 0.653 6 residues pruned to eliminate duplicates Z: 18 51.306 2.384 1.100 0.923 0.941 0.765 CB 1.857 18 residues pruned to eliminate duplicates Z: 17 19.488 2.234 0.586 0.427 0.938 0.688 CB 1.582 17 residues pruned to eliminate duplicates Z: 10 16.674 1.772 1.138 0.630 0.889 0.889 C 1.460 10 residues pruned to eliminate duplicates Z: 10 19.812 2.025 0.652 0.904 1.000 1.000 CA 1.406 10 residues pruned to eliminate duplicates Z: 14 13.599 1.703 0.300 0.907 0.923 0.923 CB 1.313 14 residues pruned to eliminate duplicates Z: 17 57.355 2.462 1.261 0.890 0.938 0.750 C 1.977 17 residues pruned to eliminate duplicates Z: 6 13.310 1.880 0.988 0.847 1.000 1.000 CB 1.183 Z: 38 47.724 2.226 0.781 0.754 0.946 0.811 CB 1.668 38 residues pruned to eliminate duplicates Z: 11 17.224 2.216 0.259 0.779 0.900 0.700 CA 1.696 11 residues pruned to eliminate duplicates Z: 10 21.410 1.890 0.842 0.853 1.000 0.889 C 1.515 10 residues pruned to eliminate duplicates Z: 7 18.550 1.941 0.826 0.875 1.000 1.000 CB 1.554 7 residues pruned to eliminate duplicates Z: 16 18.504 1.936 0.530 0.896 1.000 0.667 CB 1.155 16 residues pruned to eliminate duplicates Z: 22 50.755 2.533 1.060 0.647 1.000 0.810 CB 1.851 22 residues pruned to eliminate duplicates Z: 10 18.134 1.804 0.758 0.903 1.000 0.889 CB 1.359 10 residues pruned to eliminate duplicates Z: 9 15.056 1.979 0.485 0.801 0.875 0.625 CB 1.592 Z: 11 10.352 2.032 0.611 0.523 0.700 0.600 CB 1.396 11 residues pruned to eliminate duplicates Z: 45 47.240 2.182 0.863 0.676 0.909 0.750 CB 1.639 46 residues pruned to eliminate duplicates Z: 68 30.858 1.999 0.520 0.519 0.881 0.701 CB 1.383 51 residues pruned to eliminate duplicates Z: 48 73.010 2.340 1.069 0.690 1.000 0.766 CB 1.850 48 residues pruned to eliminate duplicates Z: 87 93.005 2.524 0.998 0.618 0.942 0.733 CB 1.889 87 residues pruned to eliminate duplicates Z: 67 68.186 2.486 0.902 0.552 0.939 0.697 CB 1.795 67 residues pruned to eliminate duplicates Z: 14 21.670 2.116 0.629 0.583 0.923 0.692 CA 1.743 14 residues pruned to eliminate duplicates Z: 27 22.422 2.035 0.753 0.470 0.885 0.577 CB 1.437 27 residues pruned to eliminate duplicates Z: 13 40.984 2.453 0.869 0.859 1.000 0.667 CA 1.898 13 residues pruned to eliminate duplicates Z: 19 14.790 1.962 0.897 0.358 0.778 0.500 CB 1.404 19 residues pruned to eliminate duplicates Z: 25 27.227 2.249 0.659 0.477 0.875 0.625 CB 1.741 25 residues pruned to eliminate duplicates Z: 50 59.311 2.370 0.842 0.660 0.918 0.714 CB 1.823 50 residues pruned to eliminate duplicates Z: 12 41.728 2.453 0.995 0.779 1.000 0.818 CB 2.010 12 residues pruned to eliminate duplicates Z: 25 54.158 2.309 0.825 0.913 1.000 0.917 C 1.856 25 residues pruned to eliminate duplicates Z: 20 55.669 2.627 0.972 0.704 1.000 0.947 CB 2.047 26 residues pruned to eliminate duplicates Z: 15 16.998 1.758 0.446 0.949 1.000 0.929 CB 1.234 15 residues pruned to eliminate duplicates Z: 24 75.178 2.467 1.269 0.930 1.000 0.826 C 1.958 24 residues pruned to eliminate duplicates Z: 7 9.105 1.707 0.867 0.656 0.833 0.833 CB 1.210 7 residues pruned to eliminate duplicates Z: 14 21.687 1.818 0.661 0.921 1.000 1.000 CA 1.401 14 residues pruned to eliminate duplicates Z: 7 19.012 2.149 0.893 0.849 0.833 0.833 C 1.697 7 residues pruned to eliminate duplicates Z: 23 86.505 2.580 1.343 0.933 1.000 0.864 C 2.129 23 residues pruned to eliminate duplicates Z: 9 6.768 1.772 0.315 0.563 0.750 0.625 CA 1.289 9 residues pruned to eliminate duplicates Z: 13 19.436 2.016 0.574 0.586 1.000 0.667 CB 1.628 13 residues pruned to eliminate duplicates Z: 59 58.765 2.438 0.877 0.541 0.931 0.707 CB 1.739 59 residues pruned to eliminate duplicates Z: 6 15.458 2.375 0.306 0.777 1.000 0.800 CA 1.746 6 residues pruned to eliminate duplicates Z: 7 5.907 1.682 0.405 0.483 0.833 0.667 N 1.245 7 residues pruned to eliminate duplicates Z: 6 3.345 1.204 0.274 0.838 1.000 0.600 N 0.729 6 residues pruned to eliminate duplicates Z: 49 54.314 2.464 0.815 0.591 0.896 0.708 CB 1.792 49 residues pruned to eliminate duplicates Z: 9 7.187 1.886 0.564 0.278 0.875 0.500 CB 1.265 9 residues pruned to eliminate duplicates Z: 17 31.733 2.269 0.975 0.597 0.938 0.812 CB 1.721 17 residues pruned to eliminate duplicates Z: 16 9.313 1.576 0.023 0.939 1.000 0.933 CB 1.036 16 residues pruned to eliminate duplicates Z: 12 36.020 2.410 0.689 0.841 1.000 0.818 CA 1.989 12 residues pruned to eliminate duplicates Z: 81 81.089 2.445 0.888 0.624 0.950 0.688 CB 1.840 81 residues pruned to eliminate duplicates Z: 6 11.734 1.628 0.996 0.845 1.000 1.000 CA 1.201 6 residues pruned to eliminate duplicates Z: 22 72.606 2.546 1.344 0.892 0.905 0.571 C 2.108 22 residues pruned to eliminate duplicates Z: 8 6.988 1.887 0.313 0.744 0.714 0.429 CA 1.200 8 residues pruned to eliminate duplicates Z: 40 27.837 1.983 0.736 0.556 0.897 0.718 CB 1.366 40 residues pruned to eliminate duplicates Z: 11 18.998 1.634 0.859 0.927 1.000 1.000 CB 1.386 11 residues pruned to eliminate duplicates 6 1.217 1.302 0.516 0.300 0.800 0.400 CB 0.431 ? Z: 38 65.586 2.443 1.152 0.759 0.892 0.811 CB 1.827 38 residues pruned to eliminate duplicates Z: 13 36.917 2.198 0.934 0.906 1.000 0.833 CA 1.784 13 residues pruned to eliminate duplicates Z: 6 9.007 1.718 0.448 0.871 1.000 1.000 CB 1.181 6 residues pruned to eliminate duplicates Z: 6 2.407 1.106 0.700 0.432 0.800 0.400 C 0.768 Z: 14 15.178 1.908 0.975 0.550 0.846 0.769 CB 1.257 12 residues pruned to eliminate duplicates Z: 16 14.542 1.667 0.385 0.922 1.000 0.667 CB 1.144 16 residues pruned to eliminate duplicates Z: 25 36.834 2.249 1.040 0.647 0.958 0.708 CB 1.491 25 residues pruned to eliminate duplicates Z: 19 28.058 2.387 0.662 0.533 0.889 0.667 CA 1.816 19 residues pruned to eliminate duplicates Z: 24 35.512 2.449 0.823 0.449 0.870 0.478 CB 2.010 24 residues pruned to eliminate duplicates Z: 10 18.599 2.345 0.505 0.553 1.000 0.778 CB 1.669 10 residues pruned to eliminate duplicates Z: 31 22.329 1.780 0.639 0.662 1.000 0.633 CB 1.203 31 residues pruned to eliminate duplicates Z: 32 40.652 2.302 0.869 0.585 0.968 0.710 CB 1.617 34 residues pruned to eliminate duplicates Z: 12 17.627 1.638 0.754 0.928 1.000 1.000 CB 1.295 12 residues pruned to eliminate duplicates Z: 9 16.322 2.022 0.589 0.740 0.875 0.625 CB 1.654 9 residues pruned to eliminate duplicates Z: 18 23.778 1.919 0.869 0.903 1.000 0.706 CB 1.146 18 residues pruned to eliminate duplicates Z: 97 88.612 2.472 0.878 0.616 0.927 0.698 CB 1.883 97 residues pruned to eliminate duplicates Z: 29 39.676 2.229 0.649 0.688 0.929 0.714 CA 1.850 29 residues pruned to eliminate duplicates Z: 22 21.777 2.042 0.796 0.604 0.857 0.571 CB 1.369 22 residues pruned to eliminate duplicates Z: 81 72.766 2.432 0.871 0.608 0.938 0.725 CB 1.721 77 residues pruned to eliminate duplicates Z: 24 91.853 2.594 1.536 0.915 0.957 0.870 CA 2.151 24 residues pruned to eliminate duplicates Z: 15 11.801 2.011 0.403 0.357 1.000 0.643 CB 1.304 15 residues pruned to eliminate duplicates Z: 49 80.170 2.514 0.993 0.701 0.958 0.667 CB 2.007 49 residues pruned to eliminate duplicates Z: 40 76.409 2.473 1.196 0.694 0.974 0.821 CB 1.936 46 residues pruned to eliminate duplicates Z: 9 12.099 1.819 0.837 0.629 1.000 0.750 CB 1.133 12 residues pruned to eliminate duplicates Z: 23 50.909 2.242 1.027 0.918 1.000 0.818 CB 1.685 23 residues pruned to eliminate duplicates Z: 11 10.656 1.722 0.135 0.905 1.000 0.900 CB 1.227 11 residues pruned to eliminate duplicates Z: 29 17.110 1.881 0.733 0.519 0.821 0.536 CB 1.186 29 residues pruned to eliminate duplicates Z: 8 5.971 1.727 0.672 0.525 0.857 0.714 CB 0.890 8 residues pruned to eliminate duplicates Z: 52 70.359 2.413 0.949 0.666 0.961 0.725 CB 1.870 52 residues pruned to eliminate duplicates Z: 72 60.513 2.355 0.937 0.543 0.901 0.676 CB 1.675 72 residues pruned to eliminate duplicates Z: 42 39.113 1.976 0.917 0.673 0.951 0.732 CB 1.445 41 residues pruned to eliminate duplicates Z: 16 13.766 1.687 0.379 0.887 0.933 0.600 CB 1.181 16 residues pruned to eliminate duplicates Z: 6 2.806 1.211 0.237 0.574 0.800 0.400 CA 0.975 Z: 6 6.932 1.699 0.115 0.843 1.000 0.600 CA 1.218 6 residues pruned to eliminate duplicates Z: 26 28.009 2.288 0.628 0.523 0.840 0.640 CB 1.749 26 residues pruned to eliminate duplicates Z: 48 53.720 2.426 0.888 0.511 0.957 0.681 CB 1.768 48 residues pruned to eliminate duplicates Z: 27 28.663 2.241 0.678 0.543 0.885 0.654 CB 1.620 27 residues pruned to eliminate duplicates Z: 52 55.013 2.469 0.874 0.525 0.922 0.608 CB 1.763 52 residues pruned to eliminate duplicates Z: 46 55.034 2.584 0.965 0.498 0.911 0.622 CB 1.777 46 residues pruned to eliminate duplicates Z: 24 21.060 1.898 0.630 0.615 0.913 0.739 CB 1.394 24 residues pruned to eliminate duplicates Z: 8 19.133 2.120 0.719 0.818 1.000 0.714 CA 1.505 10 residues pruned to eliminate duplicates Z: 30 35.561 2.361 0.942 0.551 0.862 0.586 CB 1.590 30 residues pruned to eliminate duplicates Z: 9 31.698 2.406 0.867 0.755 1.000 0.875 CB 1.989 9 residues pruned to eliminate duplicates Z: 12 18.707 2.325 0.686 0.420 1.000 0.636 CB 1.565 12 residues pruned to eliminate duplicates Z: 16 15.786 1.678 0.417 0.935 1.000 0.733 CB 1.195 16 residues pruned to eliminate duplicates Z: 24 56.179 2.435 0.974 0.736 1.000 0.826 CA 1.972 24 residues pruned to eliminate duplicates Z: 13 21.318 1.979 1.020 0.588 1.000 0.833 CB 1.414 13 residues pruned to eliminate duplicates Z: 17 12.579 1.704 0.452 0.633 0.875 0.750 CB 1.281 17 residues pruned to eliminate duplicates Z: 64 60.296 2.234 0.862 0.663 0.937 0.762 CB 1.678 83 residues pruned to eliminate duplicates Z: 6 6.460 1.647 0.270 0.729 1.000 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 17 37.482 2.584 0.928 0.515 0.938 0.750 CB 1.977 17 residues pruned to eliminate duplicates Z: 23 28.782 2.030 0.620 0.693 0.955 0.864 CA 1.637 23 residues pruned to eliminate duplicates Z: 36 32.780 2.238 0.631 0.507 0.914 0.686 CB 1.649 36 residues pruned to eliminate duplicates Z: 24 79.993 2.476 1.325 0.930 1.000 0.739 C 2.027 24 residues pruned to eliminate duplicates Z: 6 12.022 2.221 0.655 0.629 0.800 0.400 CA 1.620 6 residues pruned to eliminate duplicates Z: 8 4.343 1.390 0.451 0.327 0.857 0.571 N 1.148 Z: 23 91.185 2.647 1.418 0.916 1.000 0.727 C 2.146 23 residues pruned to eliminate duplicates Z: 19 31.997 2.306 0.874 0.555 0.944 0.667 CB 1.753 Z: 47 78.459 2.491 1.030 0.679 0.978 0.761 CB 1.984 47 residues pruned to eliminate duplicates Z: 8 23.453 2.297 0.676 0.865 1.000 0.857 CB 1.686 8 residues pruned to eliminate duplicates Z: 72 38.766 2.189 0.479 0.550 0.930 0.606 CB 1.456 72 residues pruned to eliminate duplicates Z: 24 29.719 2.406 0.743 0.494 0.957 0.565 CB 1.554 24 residues pruned to eliminate duplicates Z: 16 19.529 2.105 0.615 0.566 0.867 0.467 CA 1.605 16 residues pruned to eliminate duplicates Z: 41 60.213 2.256 0.914 0.770 0.950 0.725 CA 1.828 41 residues pruned to eliminate duplicates Z: 11 29.121 2.561 0.617 0.772 0.900 0.600 CB 1.943 11 residues pruned to eliminate duplicates Z: 59 54.143 2.391 0.843 0.507 0.897 0.621 CB 1.788 59 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.706 1.887 -0.055 0.388 1.000 0.333 N 1.214 Z: 12 14.899 1.839 0.522 0.822 0.909 0.545 CB 1.335 12 residues pruned to eliminate duplicates Z: 7 3.934 1.828 0.086 0.517 0.667 0.500 CB 1.193 Z: 6 9.894 1.795 0.284 0.831 1.000 0.800 CB 1.442 7 residues pruned to eliminate duplicates Z: 7 8.870 1.742 0.378 0.811 1.000 0.500 C 1.150 7 residues pruned to eliminate duplicates Z: 6 3.839 1.715 0.181 0.359 1.000 0.600 CA 0.987 6 residues pruned to eliminate duplicates Z: 56 53.106 2.189 0.852 0.659 0.945 0.727 CB 1.611 56 residues pruned to eliminate duplicates Z: 7 4.747 1.560 0.303 0.331 1.000 0.667 CB 1.148 7 residues pruned to eliminate duplicates Z: 63 57.187 2.237 0.882 0.638 0.952 0.677 CB 1.593 63 residues pruned to eliminate duplicates Z: 6 8.321 2.044 0.338 0.436 1.000 0.600 CA 1.454 6 residues pruned to eliminate duplicates Z: 65 57.649 2.210 0.815 0.675 0.938 0.688 CB 1.632 84 residues pruned to eliminate duplicates Z: 6 5.851 1.915 0.552 0.247 1.000 1.000 CA 1.178 6 residues pruned to eliminate duplicates Z: 36 52.761 2.340 0.807 0.738 0.943 0.714 CB 1.807 36 residues pruned to eliminate duplicates Z: 37 57.187 2.311 0.898 0.792 0.972 0.778 CB 1.730 37 residues pruned to eliminate duplicates Z: 31 62.702 2.405 0.886 0.828 1.000 0.900 CB 1.900 31 residues pruned to eliminate duplicates Z: 46 48.920 2.217 0.714 0.673 0.956 0.756 CB 1.713 46 residues pruned to eliminate duplicates Z: 107 84.273 2.449 0.850 0.589 0.934 0.698 CB 1.777 107 residues pruned to eliminate duplicates Z: 37 59.139 2.326 0.855 0.802 1.000 0.889 CB 1.755 37 residues pruned to eliminate duplicates Z: 26 45.481 2.218 0.837 0.778 0.920 0.640 CB 1.899 26 residues pruned to eliminate duplicates Z: 35 58.540 2.286 0.900 0.778 1.000 0.824 CB 1.809 35 residues pruned to eliminate duplicates Z: 106 82.084 2.393 0.885 0.601 0.933 0.695 CB 1.728 106 residues pruned to eliminate duplicates Z: 84 77.569 2.447 0.950 0.603 0.928 0.651 CB 1.745 84 residues pruned to eliminate duplicates Z: 35 57.685 2.290 0.911 0.758 1.000 0.706 CB 1.797 35 residues pruned to eliminate duplicates Z: 31 67.486 2.402 1.017 0.829 1.000 0.767 CB 1.914 31 residues pruned to eliminate duplicates Z: 37 59.670 2.306 0.952 0.789 1.000 0.889 CB 1.714 37 residues pruned to eliminate duplicates Z: 45 58.084 2.284 0.823 0.725 0.977 0.682 CB 1.757 46 residues pruned to eliminate duplicates Z: 21 55.113 2.323 1.102 0.889 1.000 0.850 CB 1.818 21 residues pruned to eliminate duplicates Z: 32 65.517 2.354 1.093 0.803 0.968 0.710 CB 1.894 32 residues pruned to eliminate duplicates Z: 47 55.489 2.275 0.885 0.720 0.913 0.739 CB 1.713 47 residues pruned to eliminate duplicates Z: 32 62.318 2.324 1.074 0.792 0.968 0.742 CA 1.858 32 residues pruned to eliminate duplicates Z: 45 58.031 2.285 0.910 0.735 0.932 0.705 CB 1.741 45 residues pruned to eliminate duplicates Z: 32 57.724 2.308 1.011 0.771 0.935 0.710 CB 1.879 32 residues pruned to eliminate duplicates Z: 42 52.534 2.149 0.894 0.705 1.000 0.732 CB 1.673 42 residues pruned to eliminate duplicates Z: 45 59.818 2.289 0.879 0.712 0.977 0.750 CB 1.771 45 residues pruned to eliminate duplicates Z: 37 55.278 2.278 0.977 0.760 0.944 0.750 CB 1.718 37 residues pruned to eliminate duplicates Z: 46 58.388 2.250 0.868 0.724 1.000 0.711 CB 1.692 46 residues pruned to eliminate duplicates Z: 130 95.678 2.451 0.882 0.609 0.946 0.667 CB 1.741 130 residues pruned to eliminate duplicates Z: 42 61.278 2.334 0.913 0.737 0.951 0.683 CA 1.823 42 residues pruned to eliminate duplicates Z: 89 77.163 2.427 0.882 0.611 0.920 0.670 CB 1.760 89 residues pruned to eliminate duplicates Z: 47 47.582 2.597 0.787 0.470 0.848 0.630 CB 1.838 47 residues pruned to eliminate duplicates Z: 97 70.102 2.483 0.783 0.540 0.917 0.646 CB 1.696 97 residues pruned to eliminate duplicates Z: 100 75.411 2.477 0.840 0.554 0.929 0.687 CB 1.698 100 residues pruned to eliminate duplicates Z: 117 88.027 2.493 0.873 0.563 0.940 0.681 CB 1.752 117 residues pruned to eliminate duplicates Z: 33 48.336 2.643 0.923 0.527 0.875 0.562 CB 1.870 33 residues pruned to eliminate duplicates Z: 98 76.152 2.487 0.822 0.552 0.928 0.649 CB 1.748 98 residues pruned to eliminate duplicates Z: 101 66.444 2.441 0.713 0.543 0.910 0.600 CB 1.675 101 residues pruned to eliminate duplicates Z: 35 54.111 2.536 1.038 0.533 0.971 0.647 CB 1.790 35 residues pruned to eliminate duplicates Z: 129 87.626 2.451 0.790 0.589 0.922 0.727 CB 1.759 129 residues pruned to eliminate duplicates Z: 107 79.375 2.393 0.848 0.597 0.925 0.613 CB 1.719 107 residues pruned to eliminate duplicates Z: 44 52.589 2.573 0.913 0.517 0.884 0.535 CB 1.813 44 residues pruned to eliminate duplicates Z: 98 71.270 2.499 0.747 0.531 0.918 0.670 CB 1.753 98 residues pruned to eliminate duplicates Z: 75 66.919 2.516 0.826 0.512 0.946 0.622 CB 1.770 75 residues pruned to eliminate duplicates Z: 50 48.008 2.517 0.869 0.472 0.878 0.592 CB 1.709 50 residues pruned to eliminate duplicates Z: 112 82.315 2.409 0.838 0.580 0.946 0.649 CB 1.727 112 residues pruned to eliminate duplicates Z: 117 85.596 2.436 0.830 0.584 0.948 0.655 CB 1.733 117 residues pruned to eliminate duplicates Z: 97 68.165 2.469 0.707 0.550 0.927 0.656 CB 1.696 97 residues pruned to eliminate duplicates Z: 45 53.641 2.583 0.899 0.528 0.886 0.568 CB 1.810 45 residues pruned to eliminate duplicates Z: 108 77.318 2.407 0.820 0.569 0.916 0.607 CB 1.743 108 residues pruned to eliminate duplicates Z: 76 79.441 2.480 0.934 0.619 0.933 0.627 CB 1.831 76 residues pruned to eliminate duplicates Z: 100 66.518 2.461 0.632 0.517 0.939 0.667 CB 1.742 100 residues pruned to eliminate duplicates Z: 134 84.625 2.407 0.831 0.559 0.917 0.654 CB 1.714 134 residues pruned to eliminate duplicates Z: 40 48.193 2.509 0.849 0.522 0.872 0.513 CB 1.866 40 residues pruned to eliminate duplicates Z: 100 73.137 2.477 0.736 0.552 0.929 0.697 CB 1.749 100 residues pruned to eliminate duplicates Z: 99 73.999 2.489 0.759 0.549 0.929 0.673 CB 1.752 99 residues pruned to eliminate duplicates Z: 49 47.419 2.532 0.708 0.461 0.958 0.583 CB 1.718 49 residues pruned to eliminate duplicates Z: 160 95.209 2.420 0.811 0.584 0.931 0.686 CB 1.708 160 residues pruned to eliminate duplicates Z: 101 70.767 2.476 0.803 0.541 0.890 0.680 CB 1.711 101 residues pruned to eliminate duplicates Z: 13 10.578 1.953 0.632 0.290 0.833 0.500 CB 1.455 13 residues pruned to eliminate duplicates Z: 99 71.377 2.464 0.799 0.528 0.918 0.602 CB 1.723 99 residues pruned to eliminate duplicates Z: 89 79.443 2.355 0.925 0.625 0.943 0.705 CB 1.760 89 residues pruned to eliminate duplicates Z: 21 20.682 2.265 0.801 0.348 0.800 0.350 CB 1.671 21 residues pruned to eliminate duplicates Z: 69 52.707 2.398 0.689 0.527 0.941 0.676 CB 1.632 69 residues pruned to eliminate duplicates Z: 107 87.769 2.464 0.900 0.587 0.943 0.660 CB 1.775 107 residues pruned to eliminate duplicates Z: 68 63.878 2.460 0.864 0.511 0.925 0.657 CB 1.819 68 residues pruned to eliminate duplicates Z: 55 60.489 2.501 0.939 0.528 0.926 0.648 CB 1.783 55 residues pruned to eliminate duplicates Z: 26 37.044 2.530 1.123 0.432 0.880 0.520 CB 1.682 26 residues pruned to eliminate duplicates Z: 31 26.629 2.166 0.657 0.492 0.933 0.500 CB 1.463 31 residues pruned to eliminate duplicates Z: 106 83.837 2.461 0.907 0.583 0.924 0.714 CB 1.743 106 residues pruned to eliminate duplicates Z: 70 51.107 2.404 0.642 0.537 0.913 0.667 CB 1.646 70 residues pruned to eliminate duplicates Z: 99 75.365 2.480 0.792 0.535 0.949 0.653 CB 1.743 99 residues pruned to eliminate duplicates Z: 85 70.416 2.508 0.821 0.541 0.917 0.667 CB 1.762 85 residues pruned to eliminate duplicates Z: 44 45.285 2.358 0.913 0.497 0.930 0.674 CB 1.651 44 residues pruned to eliminate duplicates Z: 64 56.672 2.351 0.817 0.587 0.952 0.714 CB 1.614 64 residues pruned to eliminate duplicates Z: 97 76.708 2.504 0.767 0.554 0.938 0.708 CB 1.791 97 residues pruned to eliminate duplicates Z: 33 33.104 2.186 0.681 0.548 0.938 0.594 CB 1.620 33 residues pruned to eliminate duplicates Z: 56 53.062 2.383 0.698 0.565 0.982 0.727 CB 1.692 56 residues pruned to eliminate duplicates Z: 55 50.195 2.402 0.628 0.582 0.963 0.685 CB 1.676 55 residues pruned to eliminate duplicates Z: 67 43.718 2.334 0.537 0.498 0.909 0.652 CB 1.653 67 residues pruned to eliminate duplicates Z: 98 79.023 2.481 0.877 0.548 0.938 0.598 CB 1.752 98 residues pruned to eliminate duplicates Z: 36 35.878 2.270 0.908 0.513 0.886 0.657 CB 1.561 36 residues pruned to eliminate duplicates Z: 99 72.132 2.429 0.799 0.547 0.939 0.724 CB 1.697 99 residues pruned to eliminate duplicates Z: 78 61.507 2.482 0.736 0.505 0.909 0.649 CB 1.781 78 residues pruned to eliminate duplicates Z: 67 51.965 2.375 0.639 0.535 0.939 0.667 CB 1.690 67 residues pruned to eliminate duplicates Z: 22 23.156 2.195 0.741 0.379 0.952 0.619 CB 1.579 22 residues pruned to eliminate duplicates Z: 36 37.426 2.306 0.694 0.507 0.943 0.743 CB 1.705 36 residues pruned to eliminate duplicates Z: 99 75.244 2.474 0.843 0.546 0.918 0.724 CB 1.736 99 residues pruned to eliminate duplicates Z: 43 45.618 2.396 0.804 0.572 0.929 0.667 CB 1.636 43 residues pruned to eliminate duplicates Z: 75 65.326 2.502 0.878 0.509 0.905 0.676 CB 1.769 75 residues pruned to eliminate duplicates Z: 135 95.217 2.439 0.829 0.600 0.955 0.672 CB 1.754 135 residues pruned to eliminate duplicates Z: 78 57.959 2.421 0.725 0.530 0.922 0.623 CB 1.665 78 residues pruned to eliminate duplicates Z: 76 67.638 2.497 0.891 0.515 0.920 0.627 CB 1.771 76 residues pruned to eliminate duplicates Z: 65 60.150 2.430 0.752 0.558 0.984 0.719 CB 1.695 65 residues pruned to eliminate duplicates Z: 38 43.743 2.429 0.758 0.582 0.892 0.703 CB 1.746 38 residues pruned to eliminate duplicates Z: 68 63.465 2.484 0.897 0.506 0.940 0.642 CB 1.739 68 residues pruned to eliminate duplicates Z: 65 57.138 2.430 0.746 0.554 0.938 0.781 CB 1.704 65 residues pruned to eliminate duplicates Z: 37 41.621 2.441 0.789 0.524 0.917 0.611 CB 1.693 37 residues pruned to eliminate duplicates Z: 70 53.239 2.395 0.729 0.533 0.942 0.681 CB 1.590 70 residues pruned to eliminate duplicates Z: 75 68.473 2.525 0.841 0.519 0.946 0.730 CB 1.777 75 residues pruned to eliminate duplicates Z: 43 49.276 2.420 0.829 0.567 0.952 0.738 CB 1.691 43 residues pruned to eliminate duplicates Z: 38 36.895 2.354 0.684 0.546 0.946 0.649 CB 1.546 38 residues pruned to eliminate duplicates Z: 43 48.993 2.436 0.771 0.582 0.929 0.738 CB 1.745 43 residues pruned to eliminate duplicates Z: 71 52.597 2.392 0.715 0.537 0.900 0.714 CB 1.641 71 residues pruned to eliminate duplicates Z: 99 76.128 2.459 0.818 0.555 0.908 0.673 CB 1.795 99 residues pruned to eliminate duplicates Z: 22 35.753 2.450 0.565 0.697 0.952 0.810 CB 1.785 22 residues pruned to eliminate duplicates Z: 25 29.457 2.318 0.389 0.669 0.958 0.708 CB 1.667 25 residues pruned to eliminate duplicates Z: 38 38.643 2.341 0.635 0.593 0.973 0.676 CB 1.561 38 residues pruned to eliminate duplicates Z: 126 84.902 2.488 0.871 0.556 0.904 0.664 CB 1.708 126 residues pruned to eliminate duplicates Z: 12 24.049 2.367 0.631 0.690 1.000 0.545 CB 1.579 12 residues pruned to eliminate duplicates Z: 59 57.405 2.447 0.743 0.576 0.948 0.724 CB 1.732 59 residues pruned to eliminate duplicates Z: 34 41.902 2.399 0.874 0.573 0.939 0.636 CB 1.609 34 residues pruned to eliminate duplicates Z: 23 38.805 2.426 0.792 0.692 0.955 0.591 CB 1.672 23 residues pruned to eliminate duplicates Z: 24 40.240 2.357 0.844 0.697 0.957 0.565 CB 1.686 24 residues pruned to eliminate duplicates Z: 37 46.348 2.383 0.973 0.552 0.944 0.611 CB 1.654 37 residues pruned to eliminate duplicates Z: 65 60.789 2.416 0.843 0.569 0.953 0.641 CB 1.676 65 residues pruned to eliminate duplicates Z: 38 45.420 2.313 0.787 0.542 0.973 0.514 CB 1.781 38 residues pruned to eliminate duplicates Z: 25 40.658 2.402 0.850 0.633 0.958 0.500 CB 1.720 25 residues pruned to eliminate duplicates Z: 23 46.906 2.481 0.919 0.721 1.000 0.500 CB 1.721 23 residues pruned to eliminate duplicates Z: 95 79.062 2.447 0.974 0.524 0.926 0.670 CB 1.781 95 residues pruned to eliminate duplicates Z: 48 61.886 2.423 0.981 0.666 0.957 0.638 CB 1.684 48 residues pruned to eliminate duplicates Z: 59 50.591 2.252 0.895 0.542 0.931 0.621 CB 1.605 59 residues pruned to eliminate duplicates Z: 88 83.334 2.523 0.942 0.558 0.943 0.667 CB 1.828 88 residues pruned to eliminate duplicates Z: 119 80.304 2.412 0.880 0.527 0.915 0.644 CB 1.734 119 residues pruned to eliminate duplicates Z: 122 89.166 2.477 0.874 0.561 0.934 0.669 CB 1.762 122 residues pruned to eliminate duplicates Z: 49 58.550 2.425 0.961 0.642 0.917 0.646 CB 1.698 49 residues pruned to eliminate duplicates Z: 139 94.750 2.471 0.894 0.552 0.942 0.659 CB 1.739 139 residues pruned to eliminate duplicates Z: 86 75.385 2.419 0.932 0.583 0.965 0.682 CB 1.674 86 residues pruned to eliminate duplicates Z: 23 39.412 2.292 1.082 0.640 0.864 0.682 CB 1.789 23 residues pruned to eliminate duplicates Z: 53 68.885 2.470 1.020 0.624 0.962 0.692 CB 1.770 53 residues pruned to eliminate duplicates Z: 75 65.496 2.408 0.875 0.556 0.919 0.703 CB 1.738 75 residues pruned to eliminate duplicates Z: 54 63.203 2.365 0.977 0.643 0.962 0.566 CB 1.688 54 residues pruned to eliminate duplicates Z: 63 66.155 2.450 0.990 0.601 0.903 0.645 CB 1.732 63 residues pruned to eliminate duplicates Z: 23 36.734 2.366 1.042 0.586 0.864 0.455 CB 1.728 23 residues pruned to eliminate duplicates Z: 124 90.383 2.453 0.929 0.554 0.919 0.642 CB 1.778 124 residues pruned to eliminate duplicates Z: 60 67.343 2.447 1.058 0.576 0.915 0.678 CB 1.768 60 residues pruned to eliminate duplicates Z: 16 27.882 2.248 0.849 0.580 0.867 0.667 CB 1.851 16 residues pruned to eliminate duplicates Z: 28 35.031 2.387 0.823 0.564 0.889 0.593 CB 1.638 28 residues pruned to eliminate duplicates Z: 28 35.352 2.395 0.940 0.548 0.852 0.630 CB 1.640 28 residues pruned to eliminate duplicates Z: 91 75.302 2.426 0.897 0.563 0.956 0.656 CB 1.698 91 residues pruned to eliminate duplicates Z: 38 37.254 2.297 1.040 0.524 0.838 0.568 CB 1.523 38 residues pruned to eliminate duplicates Z: 53 65.927 2.475 1.035 0.615 0.942 0.615 CB 1.728 53 residues pruned to eliminate duplicates Z: 58 56.461 2.369 1.044 0.546 0.877 0.474 CB 1.683 58 residues pruned to eliminate duplicates Z: 59 62.446 2.438 1.011 0.597 0.914 0.603 CB 1.668 59 residues pruned to eliminate duplicates Z: 139 95.659 2.473 0.933 0.544 0.928 0.630 CB 1.759 139 residues pruned to eliminate duplicates Z: 27 36.695 2.375 0.965 0.579 0.885 0.654 CB 1.616 27 residues pruned to eliminate duplicates Z: 92 70.134 2.396 0.859 0.555 0.934 0.626 CB 1.675 92 residues pruned to eliminate duplicates Z: 29 37.348 2.385 0.886 0.534 0.893 0.607 CB 1.700 29 residues pruned to eliminate duplicates Z: 63 64.499 2.460 0.955 0.561 0.903 0.629 CB 1.776 63 residues pruned to eliminate duplicates Z: 105 74.016 2.434 0.862 0.540 0.913 0.654 CB 1.685 105 residues pruned to eliminate duplicates Z: 42 47.059 2.416 0.973 0.550 0.878 0.488 CB 1.672 42 residues pruned to eliminate duplicates Z: 17 27.767 2.350 0.936 0.547 0.875 0.562 CB 1.666 17 residues pruned to eliminate duplicates Z: 18 22.732 2.292 0.694 0.554 0.882 0.647 CB 1.528 18 residues pruned to eliminate duplicates Z: 22 25.363 2.460 0.799 0.515 0.810 0.667 CB 1.521 22 residues pruned to eliminate duplicates Z: 17 19.833 2.345 0.785 0.548 0.750 0.625 CB 1.506 17 residues pruned to eliminate duplicates Z: 42 48.042 2.436 0.942 0.579 0.902 0.659 CB 1.629 42 residues pruned to eliminate duplicates Z: 183 109.794 2.430 0.912 0.577 0.923 0.632 CB 1.762 183 residues pruned to eliminate duplicates Z: 12 31.760 2.385 0.973 0.650 0.909 0.909 CB 1.946 12 residues pruned to eliminate duplicates Z: 101 79.935 2.433 0.985 0.579 0.910 0.640 CB 1.686 101 residues pruned to eliminate duplicates Z: 16 28.013 2.399 0.914 0.599 0.800 0.733 CB 1.792 16 residues pruned to eliminate duplicates Z: 42 46.517 2.399 0.968 0.566 0.878 0.585 CB 1.644 42 residues pruned to eliminate duplicates Z: 17 21.687 2.247 0.830 0.571 0.812 0.750 CB 1.515 17 residues pruned to eliminate duplicates Z: 16 26.787 2.380 0.868 0.629 0.867 0.733 CB 1.590 16 residues pruned to eliminate duplicates Z: 21 29.041 2.470 0.915 0.537 0.850 0.700 CB 1.557 21 residues pruned to eliminate duplicates Z: 16 27.446 2.492 0.735 0.618 0.867 0.800 CB 1.692 16 residues pruned to eliminate duplicates Z: 17 26.455 2.366 0.716 0.623 0.875 0.750 CB 1.657 17 residues pruned to eliminate duplicates Z: 7 2.035 1.323 0.384 0.372 0.500 0.333 CB 1.041 7 residues pruned to eliminate duplicates Z: 6 2.269 1.271 0.208 0.493 0.800 0.600 N 0.833 6 residues pruned to eliminate duplicates Z: 50 60.378 2.371 0.871 0.666 0.918 0.714 CB 1.816 50 residues pruned to eliminate duplicates Z: 107 87.447 2.404 0.856 0.594 0.953 0.670 CB 1.827 107 residues pruned to eliminate duplicates Z: 137 81.970 2.323 0.716 0.587 0.949 0.618 CB 1.710 137 residues pruned to eliminate duplicates Z: 107 81.672 2.412 0.786 0.589 0.943 0.660 CB 1.793 107 residues pruned to eliminate duplicates Z: 44 70.144 2.501 0.970 0.675 0.930 0.698 CB 1.985 44 residues pruned to eliminate duplicates Z: 66 84.809 2.499 1.025 0.632 0.938 0.677 CB 1.958 66 residues pruned to eliminate duplicates Z: 48 66.981 2.408 0.886 0.694 0.979 0.702 CB 1.841 48 residues pruned to eliminate duplicates Z: 107 82.950 2.411 0.773 0.583 0.943 0.660 CB 1.844 107 residues pruned to eliminate duplicates Z: 114 77.703 2.415 0.725 0.562 0.912 0.655 CB 1.812 114 residues pruned to eliminate duplicates Z: 71 78.308 2.446 0.848 0.633 0.971 0.686 CB 1.882 71 residues pruned to eliminate duplicates Z: 52 63.817 2.320 0.878 0.657 0.980 0.647 CB 1.808 52 residues pruned to eliminate duplicates Z: 35 68.094 2.549 0.954 0.745 0.941 0.735 CA 2.001 35 residues pruned to eliminate duplicates Z: 121 77.537 2.402 0.651 0.599 0.925 0.725 CB 1.756 121 residues pruned to eliminate duplicates Z: 136 75.657 2.361 0.624 0.593 0.904 0.711 CB 1.719 136 residues pruned to eliminate duplicates Z: 40 64.272 2.480 0.903 0.672 0.897 0.744 C 2.072 40 residues pruned to eliminate duplicates Z: 51 61.655 2.354 0.883 0.678 0.920 0.740 CB 1.815 51 residues pruned to eliminate duplicates Z: 38 71.795 2.531 1.004 0.692 0.973 0.730 CB 2.007 38 residues pruned to eliminate duplicates Z: 106 84.095 2.430 0.786 0.600 0.933 0.676 CB 1.841 106 residues pruned to eliminate duplicates Z: 51 55.588 2.375 0.725 0.645 0.920 0.680 CB 1.821 51 residues pruned to eliminate duplicates Z: 113 83.822 2.399 0.876 0.573 0.920 0.616 CB 1.784 113 residues pruned to eliminate duplicates Z: 51 63.036 2.336 0.908 0.665 0.940 0.820 CB 1.826 51 residues pruned to eliminate duplicates Z: 106 82.799 2.410 0.827 0.585 0.933 0.667 CB 1.813 106 residues pruned to eliminate duplicates Z: 28 44.381 2.363 1.009 0.571 0.963 0.852 CB 1.745 28 residues pruned to eliminate duplicates Z: 50 66.981 2.407 0.956 0.675 0.939 0.714 CB 1.842 50 residues pruned to eliminate duplicates Z: 29 46.656 2.412 0.999 0.579 0.929 0.643 CB 1.825 29 residues pruned to eliminate duplicates Z: 68 90.910 2.464 1.068 0.661 0.970 0.672 CB 1.935 68 residues pruned to eliminate duplicates Z: 106 84.041 2.462 0.896 0.570 0.895 0.619 CB 1.834 106 residues pruned to eliminate duplicates Z: 105 89.717 2.428 0.873 0.601 0.952 0.654 CB 1.846 105 residues pruned to eliminate duplicates Z: 23 89.982 2.566 1.540 0.890 1.000 0.727 C 2.117 23 residues pruned to eliminate duplicates Z: 57 88.324 2.538 1.093 0.662 0.946 0.643 CB 2.020 57 residues pruned to eliminate duplicates Z: 107 87.948 2.436 0.864 0.605 0.925 0.660 CB 1.842 107 residues pruned to eliminate duplicates Z: 39 69.206 2.447 1.097 0.670 0.947 0.711 CB 1.974 39 residues pruned to eliminate duplicates Z: 49 72.791 2.400 1.060 0.688 0.979 0.708 CB 1.827 49 residues pruned to eliminate duplicates Z: 49 59.202 2.362 0.842 0.623 0.938 0.667 CB 1.866 49 residues pruned to eliminate duplicates Z: 106 88.646 2.415 0.877 0.593 0.952 0.638 CB 1.834 106 residues pruned to eliminate duplicates Z: 38 67.944 2.459 1.214 0.676 0.919 0.649 CB 1.898 38 residues pruned to eliminate duplicates Z: 49 73.336 2.421 1.073 0.663 0.979 0.708 CB 1.851 49 residues pruned to eliminate duplicates Z: 40 67.178 2.496 1.148 0.650 0.923 0.615 CB 1.890 40 residues pruned to eliminate duplicates Z: 28 27.612 2.195 0.756 0.458 0.889 0.667 CB 1.619 28 residues pruned to eliminate duplicates Z: 50 62.996 2.359 0.979 0.663 0.918 0.633 CB 1.804 50 residues pruned to eliminate duplicates Z: 106 88.321 2.428 0.890 0.598 0.943 0.714 CB 1.814 106 residues pruned to eliminate duplicates Z: 93 91.241 2.488 0.959 0.598 0.957 0.674 CB 1.859 93 residues pruned to eliminate duplicates Z: 92 89.738 2.509 0.966 0.608 0.901 0.670 CB 1.911 92 residues pruned to eliminate duplicates Z: 64 88.489 2.526 1.041 0.637 0.952 0.683 CB 1.996 64 residues pruned to eliminate duplicates Z: 57 89.953 2.578 1.098 0.671 0.929 0.714 CB 2.043 57 residues pruned to eliminate duplicates Z: 57 96.728 2.593 1.196 0.676 0.929 0.679 CB 2.080 57 residues pruned to eliminate duplicates Z: 26 32.799 2.447 0.922 0.491 0.800 0.560 CB 1.758 26 residues pruned to eliminate duplicates Z: 109 81.161 2.389 0.816 0.595 0.935 0.657 CB 1.757 109 residues pruned to eliminate duplicates Z: 59 88.037 2.525 1.126 0.664 0.948 0.638 CB 1.951 59 residues pruned to eliminate duplicates Z: 105 88.583 2.449 0.914 0.599 0.913 0.654 CB 1.845 105 residues pruned to eliminate duplicates Z: 95 84.481 2.451 0.892 0.588 0.947 0.649 CB 1.825 95 residues pruned to eliminate duplicates Z: 105 84.347 2.423 0.878 0.583 0.923 0.654 CB 1.818 105 residues pruned to eliminate duplicates Z: 103 80.047 2.343 0.853 0.614 0.931 0.627 CB 1.758 103 residues pruned to eliminate duplicates Z: 22 46.179 2.544 1.100 0.524 0.905 0.667 CB 2.035 22 residues pruned to eliminate duplicates Z: 101 85.371 2.413 0.843 0.585 0.940 0.640 CB 1.881 101 residues pruned to eliminate duplicates Z: 134 79.521 2.330 0.733 0.592 0.932 0.639 CB 1.678 134 residues pruned to eliminate duplicates Z: 68 81.706 2.454 0.950 0.628 0.970 0.731 CB 1.907 68 residues pruned to eliminate duplicates Z: 65 72.750 2.447 1.000 0.581 0.938 0.578 CB 1.832 65 residues pruned to eliminate duplicates Z: 135 74.336 2.311 0.673 0.573 0.933 0.649 CB 1.659 135 residues pruned to eliminate duplicates Z: 32 33.771 2.370 0.922 0.433 0.806 0.581 CB 1.769 32 residues pruned to eliminate duplicates Z: 96 51.678 2.261 0.598 0.522 0.916 0.600 CB 1.568 96 residues pruned to eliminate duplicates Z: 71 82.100 2.446 0.962 0.637 0.971 0.671 CB 1.851 71 residues pruned to eliminate duplicates Z: 106 92.276 2.437 0.918 0.597 0.952 0.686 CB 1.843 106 residues pruned to eliminate duplicates Z: 70 80.436 2.414 1.029 0.637 0.942 0.739 CB 1.845 70 residues pruned to eliminate duplicates Z: 68 85.312 2.460 0.990 0.647 0.970 0.657 CB 1.915 68 residues pruned to eliminate duplicates Z: 106 83.687 2.388 0.863 0.592 0.924 0.648 CB 1.819 106 residues pruned to eliminate duplicates Z: 16 15.440 2.008 1.124 0.416 0.867 0.533 CB 1.178 16 residues pruned to eliminate duplicates Z: 48 39.466 2.369 0.550 0.477 0.936 0.574 CB 1.715 48 residues pruned to eliminate duplicates Z: 36 37.650 2.349 0.536 0.543 0.943 0.571 CB 1.793 36 residues pruned to eliminate duplicates Z: 16 15.236 2.192 0.685 0.364 0.933 0.533 CB 1.322 16 residues pruned to eliminate duplicates Z: 39 35.843 2.299 0.687 0.476 0.895 0.579 CB 1.718 39 residues pruned to eliminate duplicates Z: 71 38.715 2.211 0.460 0.555 0.914 0.700 CB 1.486 71 residues pruned to eliminate duplicates Z: 44 33.959 2.326 0.483 0.477 0.907 0.581 CB 1.695 44 residues pruned to eliminate duplicates Z: 64 40.108 2.210 0.551 0.551 0.905 0.651 CB 1.550 64 residues pruned to eliminate duplicates Z: 72 40.712 2.199 0.508 0.547 0.944 0.732 CB 1.474 72 residues pruned to eliminate duplicates Z: 137 86.402 2.333 0.787 0.598 0.956 0.669 CB 1.693 137 residues pruned to eliminate duplicates Z: 45 37.333 2.340 0.621 0.491 0.886 0.591 CB 1.689 45 residues pruned to eliminate duplicates Z: 77 39.751 2.199 0.505 0.524 0.908 0.697 CB 1.483 77 residues pruned to eliminate duplicates Z: 72 41.077 2.214 0.495 0.526 0.944 0.676 CB 1.521 72 residues pruned to eliminate duplicates Z: 38 36.638 2.310 0.670 0.524 0.919 0.676 CB 1.660 38 residues pruned to eliminate duplicates Z: 66 50.691 2.355 0.745 0.493 0.908 0.631 CB 1.697 66 residues pruned to eliminate duplicates Z: 43 44.157 2.392 0.687 0.489 0.952 0.643 CB 1.792 43 residues pruned to eliminate duplicates Z: 102 84.733 2.400 0.827 0.616 0.960 0.634 CB 1.794 102 residues pruned to eliminate duplicates Z: 44 40.426 2.372 0.692 0.504 0.907 0.651 CB 1.687 44 residues pruned to eliminate duplicates Z: 95 83.436 2.451 0.903 0.595 0.915 0.649 CB 1.843 95 residues pruned to eliminate duplicates Z: 31 34.539 2.300 0.674 0.526 0.933 0.633 CB 1.712 31 residues pruned to eliminate duplicates Z: 33 37.987 2.331 0.631 0.550 0.906 0.625 CB 1.856 33 residues pruned to eliminate duplicates Z: 42 32.699 2.314 0.535 0.486 0.829 0.561 CB 1.758 42 residues pruned to eliminate duplicates Z: 37 37.851 2.352 0.590 0.528 0.944 0.611 CB 1.736 37 residues pruned to eliminate duplicates Z: 106 82.441 2.383 0.863 0.598 0.943 0.714 CB 1.750 106 residues pruned to eliminate duplicates Z: 38 36.528 2.328 0.576 0.516 0.919 0.730 CB 1.754 38 residues pruned to eliminate duplicates Z: 36 41.158 2.326 0.695 0.566 0.971 0.686 CB 1.704 36 residues pruned to eliminate duplicates Z: 137 84.280 2.342 0.764 0.600 0.941 0.699 CB 1.690 137 residues pruned to eliminate duplicates Z: 37 34.198 2.319 0.579 0.502 0.889 0.722 CB 1.748 37 residues pruned to eliminate duplicates Z: 31 35.519 2.325 0.644 0.567 0.933 0.667 CB 1.703 31 residues pruned to eliminate duplicates Z: 60 56.004 2.395 0.817 0.537 0.915 0.627 CB 1.765 60 residues pruned to eliminate duplicates Z: 36 39.327 2.224 0.750 0.544 0.971 0.686 CB 1.685 36 residues pruned to eliminate duplicates Z: 65 39.447 2.198 0.474 0.543 0.938 0.719 CB 1.557 65 residues pruned to eliminate duplicates Z: 71 38.896 2.187 0.485 0.532 0.943 0.686 CB 1.471 71 residues pruned to eliminate duplicates Z: 34 41.653 2.376 0.692 0.563 0.970 0.667 CB 1.750 34 residues pruned to eliminate duplicates Z: 50 35.399 2.307 0.620 0.461 0.878 0.653 CB 1.604 50 residues pruned to eliminate duplicates Z: 38 17.187 1.924 0.290 0.518 0.892 0.622 CB 1.254 38 residues pruned to eliminate duplicates Z: 34 22.620 1.985 0.484 0.585 0.939 0.667 CB 1.312 34 residues pruned to eliminate duplicates Z: 72 45.374 2.202 0.630 0.569 0.944 0.718 CB 1.487 72 residues pruned to eliminate duplicates Z: 19 15.831 1.998 0.726 0.440 0.889 0.611 CB 1.295 19 residues pruned to eliminate duplicates Z: 47 26.103 2.028 0.458 0.522 0.935 0.674 CB 1.363 47 residues pruned to eliminate duplicates Z: 44 45.645 2.353 0.780 0.524 0.930 0.628 CB 1.745 44 residues pruned to eliminate duplicates Z: 37 17.918 1.980 0.266 0.578 0.917 0.694 CB 1.206 37 residues pruned to eliminate duplicates Z: 46 24.332 2.002 0.472 0.522 0.933 0.689 CB 1.290 46 residues pruned to eliminate duplicates Z: 67 37.300 2.141 0.506 0.572 0.924 0.712 CB 1.437 67 residues pruned to eliminate duplicates Z: 67 44.653 2.218 0.576 0.576 0.955 0.712 CB 1.531 67 residues pruned to eliminate duplicates Z: 30 16.766 1.941 0.286 0.648 0.966 0.655 CB 1.125 30 residues pruned to eliminate duplicates Z: 31 17.138 1.907 0.297 0.657 1.000 0.600 CB 1.093 31 residues pruned to eliminate duplicates Z: 41 25.270 1.994 0.583 0.581 0.925 0.575 CB 1.266 41 residues pruned to eliminate duplicates Z: 32 16.987 1.911 0.507 0.612 0.935 0.581 CB 1.018 32 residues pruned to eliminate duplicates Z: 72 43.524 2.197 0.616 0.554 0.944 0.620 CB 1.463 72 residues pruned to eliminate duplicates Z: 33 25.970 2.016 0.650 0.651 0.938 0.656 CB 1.279 33 residues pruned to eliminate duplicates Z: 31 27.551 2.033 0.732 0.653 0.967 0.600 CB 1.282 31 residues pruned to eliminate duplicates Z: 44 25.399 1.993 0.663 0.542 0.860 0.512 CB 1.304 44 residues pruned to eliminate duplicates Z: 56 30.031 1.992 0.666 0.525 0.927 0.655 CB 1.283 56 residues pruned to eliminate duplicates Z: 67 42.183 2.193 0.683 0.544 0.894 0.606 CB 1.508 67 residues pruned to eliminate duplicates Z: 52 33.774 2.108 0.659 0.563 0.961 0.725 CB 1.323 52 residues pruned to eliminate duplicates Z: 29 20.348 1.935 0.638 0.687 0.929 0.679 CB 1.101 29 residues pruned to eliminate duplicates Z: 37 25.524 1.970 0.682 0.561 0.917 0.556 CB 1.320 37 residues pruned to eliminate duplicates Z: 42 24.234 1.973 0.677 0.568 0.878 0.732 CB 1.219 42 residues pruned to eliminate duplicates Z: 39 29.320 2.051 0.691 0.623 0.974 0.789 CB 1.254 39 residues pruned to eliminate duplicates Z: 34 13.310 1.782 0.548 0.512 0.788 0.545 CB 1.054 34 residues pruned to eliminate duplicates Z: 72 48.318 2.206 0.728 0.569 0.972 0.676 CB 1.448 72 residues pruned to eliminate duplicates Z: 74 43.569 2.164 0.769 0.534 0.890 0.630 CB 1.447 74 residues pruned to eliminate duplicates Z: 140 86.568 2.331 0.833 0.605 0.935 0.705 CB 1.663 140 residues pruned to eliminate duplicates Z: 39 27.489 2.048 0.618 0.622 0.947 0.684 CB 1.266 39 residues pruned to eliminate duplicates Z: 71 50.925 2.219 0.721 0.580 0.971 0.657 CB 1.520 71 residues pruned to eliminate duplicates Z: 31 20.405 1.934 0.633 0.626 0.933 0.733 CB 1.122 31 residues pruned to eliminate duplicates Z: 7 7.600 1.563 0.851 0.423 1.000 1.000 CA 1.162 7 residues pruned to eliminate duplicates Z: 74 73.281 2.523 0.868 0.582 0.904 0.630 CB 1.861 74 residues pruned to eliminate duplicates Z: 84 84.939 2.538 0.927 0.606 0.916 0.699 CB 1.882 84 residues pruned to eliminate duplicates Z: 70 80.712 2.592 0.852 0.621 0.942 0.696 CB 1.916 70 residues pruned to eliminate duplicates Z: 22 85.100 2.782 1.077 0.921 1.000 0.762 CB 2.262 22 residues pruned to eliminate duplicates Z: 131 99.870 2.482 0.835 0.604 0.931 0.754 CB 1.872 131 residues pruned to eliminate duplicates Z: 151 99.700 2.418 0.829 0.580 0.953 0.680 CB 1.788 151 residues pruned to eliminate duplicates Z: 85 80.720 2.525 0.869 0.603 0.917 0.714 CB 1.846 85 residues pruned to eliminate duplicates Z: 80 81.524 2.590 0.857 0.578 0.937 0.684 CB 1.888 80 residues pruned to eliminate duplicates Z: 70 86.540 2.587 1.021 0.617 0.928 0.681 CB 1.924 70 residues pruned to eliminate duplicates Z: 80 84.981 2.558 0.898 0.584 0.949 0.722 CB 1.913 80 residues pruned to eliminate duplicates Z: 44 68.534 2.543 0.953 0.701 0.907 0.698 CB 1.932 44 residues pruned to eliminate duplicates Z: 64 89.317 2.632 0.962 0.651 0.937 0.746 CB 2.022 64 residues pruned to eliminate duplicates Z: 43 81.014 2.540 1.122 0.713 0.976 0.738 CB 1.959 43 residues pruned to eliminate duplicates Z: 136 95.656 2.460 0.774 0.594 0.941 0.711 CB 1.833 136 residues pruned to eliminate duplicates Z: 77 89.136 2.608 0.917 0.607 0.947 0.737 CB 1.950 77 residues pruned to eliminate duplicates Z: 22 102.166 2.777 1.462 0.920 1.000 0.857 CB 2.297 22 residues pruned to eliminate duplicates Z: 71 80.933 2.508 0.956 0.639 0.929 0.729 CB 1.864 71 residues pruned to eliminate duplicates Z: 130 99.790 2.486 0.861 0.601 0.930 0.721 CB 1.855 130 residues pruned to eliminate duplicates Z: 80 87.127 2.578 0.933 0.585 0.937 0.646 CB 1.936 80 residues pruned to eliminate duplicates Z: 130 96.358 2.483 0.810 0.602 0.915 0.729 CB 1.873 130 residues pruned to eliminate duplicates Z: 63 92.328 2.638 1.019 0.653 0.935 0.742 CB 2.039 63 residues pruned to eliminate duplicates Z: 67 93.781 2.556 1.088 0.662 0.970 0.773 CB 1.920 61 residues pruned to eliminate duplicates Z: 23 99.449 2.681 1.525 0.924 1.000 0.864 CB 2.200 23 residues pruned to eliminate duplicates Z: 63 89.055 2.606 1.070 0.637 0.919 0.710 CB 2.005 63 residues pruned to eliminate duplicates Z: 134 101.935 2.466 0.863 0.611 0.940 0.722 CB 1.843 134 residues pruned to eliminate duplicates Z: 62 91.677 2.636 1.062 0.658 0.918 0.738 CB 2.032 67 residues pruned to eliminate duplicates Z: 11 19.370 2.105 0.753 0.627 0.900 0.700 CA 1.636 11 residues pruned to eliminate duplicates Z: 61 92.991 2.657 1.059 0.659 0.917 0.767 CB 2.065 61 residues pruned to eliminate duplicates Z: 67 80.400 2.525 0.949 0.650 0.909 0.712 CB 1.924 67 residues pruned to eliminate duplicates Z: 42 85.291 2.584 1.133 0.734 0.976 0.854 CB 2.007 43 residues pruned to eliminate duplicates Z: 8 18.496 2.209 0.496 0.806 1.000 0.571 CA 1.621 8 residues pruned to eliminate duplicates Z: 130 99.170 2.514 0.808 0.597 0.922 0.744 CB 1.897 130 residues pruned to eliminate duplicates Z: 63 92.382 2.614 1.077 0.652 0.968 0.710 CB 1.937 63 residues pruned to eliminate duplicates Z: 135 99.875 2.455 0.877 0.608 0.925 0.672 CB 1.827 135 residues pruned to eliminate duplicates Z: 86 89.300 2.514 1.042 0.593 0.941 0.753 CB 1.834 86 residues pruned to eliminate duplicates Z: 86 81.403 2.498 0.929 0.585 0.941 0.647 CB 1.794 86 residues pruned to eliminate duplicates Z: 84 84.145 2.532 0.891 0.593 0.952 0.687 CB 1.854 84 residues pruned to eliminate duplicates Z: 21 39.124 2.752 0.753 0.513 0.900 0.600 CB 1.990 21 residues pruned to eliminate duplicates Z: 136 96.088 2.448 0.817 0.595 0.941 0.719 CB 1.804 136 residues pruned to eliminate duplicates Z: 129 99.448 2.509 0.823 0.599 0.930 0.719 CB 1.881 129 residues pruned to eliminate duplicates Z: 84 80.480 2.504 0.838 0.589 0.940 0.663 CB 1.876 84 residues pruned to eliminate duplicates Z: 133 93.429 2.470 0.762 0.592 0.924 0.682 CB 1.852 133 residues pruned to eliminate duplicates Z: 64 95.074 2.624 1.082 0.649 0.952 0.762 CB 2.003 64 residues pruned to eliminate duplicates Z: 132 86.084 2.406 0.795 0.559 0.916 0.687 CB 1.795 132 residues pruned to eliminate duplicates Z: 68 90.615 2.546 1.046 0.655 0.955 0.731 CB 1.926 68 residues pruned to eliminate duplicates Z: 68 87.576 2.537 1.044 0.637 0.955 0.731 CB 1.899 68 residues pruned to eliminate duplicates Z: 135 92.190 2.436 0.751 0.592 0.940 0.642 CB 1.820 135 residues pruned to eliminate duplicates Z: 39 42.250 2.545 0.694 0.491 0.868 0.605 CB 1.847 39 residues pruned to eliminate duplicates Z: 43 34.052 2.486 0.590 0.408 0.857 0.595 CB 1.708 43 residues pruned to eliminate duplicates Z: 91 63.631 2.416 0.677 0.531 0.911 0.667 CB 1.763 91 residues pruned to eliminate duplicates Z: 69 80.738 2.498 0.996 0.649 0.926 0.794 CB 1.845 69 residues pruned to eliminate duplicates Z: 24 41.706 2.635 0.865 0.464 0.913 0.739 CA 2.011 24 residues pruned to eliminate duplicates Z: 130 97.423 2.485 0.829 0.595 0.922 0.698 CB 1.868 130 residues pruned to eliminate duplicates Z: 107 97.290 2.578 0.908 0.592 0.906 0.745 CB 1.942 107 residues pruned to eliminate duplicates Z: 131 99.888 2.480 0.851 0.589 0.938 0.700 CB 1.867 131 residues pruned to eliminate duplicates Z: 69 86.298 2.588 0.970 0.630 0.926 0.735 CB 1.961 69 residues pruned to eliminate duplicates Z: 75 49.404 2.313 0.548 0.527 0.932 0.649 CB 1.676 75 residues pruned to eliminate duplicates Z: 130 96.997 2.476 0.780 0.598 0.946 0.698 CB 1.866 130 residues pruned to eliminate duplicates Z: 150 96.511 2.413 0.784 0.564 0.946 0.631 CB 1.824 150 residues pruned to eliminate duplicates Z: 134 86.160 2.423 0.723 0.592 0.917 0.677 CB 1.785 134 residues pruned to eliminate duplicates Z: 106 60.094 2.257 0.695 0.543 0.924 0.676 CB 1.590 106 residues pruned to eliminate duplicates Z: 21 21.929 2.311 0.582 0.382 0.900 0.550 CB 1.689 21 residues pruned to eliminate duplicates Z: 33 41.727 2.388 0.762 0.518 0.875 0.781 CB 1.969 33 residues pruned to eliminate duplicates Z: 15 23.303 2.388 0.736 0.393 0.929 0.714 CB 1.812 15 residues pruned to eliminate duplicates Z: 16 18.605 2.322 0.475 0.348 0.933 0.600 CA 1.772 16 residues pruned to eliminate duplicates Z: 16 17.688 2.418 0.592 0.337 0.867 0.600 CB 1.635 16 residues pruned to eliminate duplicates Z: 53 40.217 2.391 0.693 0.390 0.846 0.635 CB 1.830 53 residues pruned to eliminate duplicates Z: 89 66.027 2.431 0.687 0.511 0.920 0.648 CB 1.845 89 residues pruned to eliminate duplicates Z: 89 63.418 2.433 0.621 0.530 0.909 0.659 CB 1.831 89 residues pruned to eliminate duplicates Z: 50 47.556 2.469 0.632 0.488 0.918 0.673 CB 1.858 50 residues pruned to eliminate duplicates Z: 133 99.269 2.475 0.832 0.611 0.932 0.735 CB 1.840 133 residues pruned to eliminate duplicates Z: 66 53.929 2.356 0.598 0.545 0.954 0.723 CB 1.782 66 residues pruned to eliminate duplicates Z: 24 38.972 2.549 0.664 0.533 0.913 0.739 CB 2.032 24 residues pruned to eliminate duplicates Z: 70 61.341 2.391 0.674 0.552 0.971 0.739 CB 1.806 70 residues pruned to eliminate duplicates Z: 68 53.967 2.376 0.593 0.552 0.940 0.791 CB 1.761 68 residues pruned to eliminate duplicates Z: 100 96.083 2.561 0.873 0.599 0.929 0.667 CB 1.971 100 residues pruned to eliminate duplicates Z: 134 99.435 2.476 0.840 0.594 0.940 0.684 CB 1.840 134 residues pruned to eliminate duplicates Z: 95 62.534 2.351 0.741 0.498 0.894 0.585 CB 1.767 95 residues pruned to eliminate duplicates Z: 65 57.153 2.377 0.639 0.583 0.953 0.766 CB 1.776 65 residues pruned to eliminate duplicates Z: 91 97.914 2.547 0.967 0.609 0.933 0.733 CB 1.991 91 residues pruned to eliminate duplicates Z: 71 49.104 2.337 0.590 0.516 0.900 0.700 CB 1.727 71 residues pruned to eliminate duplicates Z: 45 46.675 2.446 0.604 0.511 0.955 0.682 CB 1.860 45 residues pruned to eliminate duplicates Z: 45 47.977 2.443 0.661 0.517 0.955 0.659 CB 1.837 45 residues pruned to eliminate duplicates Z: 98 57.274 2.260 0.665 0.523 0.918 0.670 CB 1.646 98 residues pruned to eliminate duplicates Z: 134 99.841 2.454 0.884 0.610 0.932 0.714 CB 1.810 134 residues pruned to eliminate duplicates Z: 88 55.326 2.279 0.607 0.531 0.931 0.713 CB 1.687 88 residues pruned to eliminate duplicates Z: 24 28.770 2.329 0.753 0.468 0.870 0.652 CB 1.745 24 residues pruned to eliminate duplicates Z: 129 105.559 2.512 0.858 0.610 0.953 0.703 CB 1.890 129 residues pruned to eliminate duplicates Z: 72 57.623 2.374 0.646 0.527 0.958 0.704 CB 1.779 72 residues pruned to eliminate duplicates Z: 65 54.725 2.375 0.616 0.571 0.938 0.797 CB 1.775 65 residues pruned to eliminate duplicates Z: 44 51.440 2.462 0.812 0.497 0.953 0.674 CB 1.850 44 residues pruned to eliminate duplicates Z: 34 35.505 2.217 0.648 0.604 0.939 0.697 CB 1.632 34 residues pruned to eliminate duplicates Z: 31 35.595 2.201 0.587 0.685 0.933 0.700 CB 1.683 31 residues pruned to eliminate duplicates Z: 36 34.455 2.249 0.587 0.544 0.943 0.629 CB 1.658 36 residues pruned to eliminate duplicates Z: 32 34.424 2.246 0.526 0.602 1.000 0.710 CB 1.637 32 residues pruned to eliminate duplicates Z: 36 34.206 2.149 0.608 0.591 0.943 0.657 CB 1.626 36 residues pruned to eliminate duplicates Z: 44 43.895 2.237 0.663 0.616 0.953 0.674 CB 1.691 44 residues pruned to eliminate duplicates Z: 52 46.767 2.225 0.698 0.641 0.941 0.686 CB 1.615 52 residues pruned to eliminate duplicates Z: 36 33.890 2.209 0.638 0.560 0.914 0.743 CB 1.635 36 residues pruned to eliminate duplicates Z: 68 57.120 2.330 0.695 0.552 0.925 0.701 CB 1.815 68 residues pruned to eliminate duplicates Z: 71 59.402 2.355 0.685 0.557 0.943 0.714 CB 1.796 71 residues pruned to eliminate duplicates Z: 32 33.920 2.244 0.628 0.608 0.903 0.774 CB 1.666 32 residues pruned to eliminate duplicates Z: 129 109.887 2.500 0.946 0.611 0.945 0.758 CB 1.901 129 residues pruned to eliminate duplicates Z: 122 97.336 2.495 0.848 0.596 0.934 0.711 CB 1.876 122 residues pruned to eliminate duplicates Z: 62 61.656 2.370 0.772 0.580 0.967 0.738 CB 1.799 62 residues pruned to eliminate duplicates Z: 58 46.972 2.228 0.814 0.598 0.912 0.684 CB 1.537 58 residues pruned to eliminate duplicates Z: 66 63.457 2.373 0.769 0.568 0.969 0.631 CB 1.811 66 residues pruned to eliminate duplicates Z: 22 34.364 2.181 0.786 0.695 1.000 0.667 CB 1.612 22 residues pruned to eliminate duplicates Z: 67 59.753 2.354 0.761 0.568 0.955 0.697 CB 1.740 67 residues pruned to eliminate duplicates Z: 71 60.760 2.380 0.744 0.555 0.929 0.671 CB 1.786 71 residues pruned to eliminate duplicates Z: 34 34.276 2.144 0.835 0.576 0.909 0.606 CB 1.551 34 residues pruned to eliminate duplicates Z: 22 35.990 2.172 0.871 0.708 1.000 0.714 CB 1.601 22 residues pruned to eliminate duplicates Z: 34 35.885 2.157 0.787 0.597 0.939 0.667 CB 1.572 34 residues pruned to eliminate duplicates Z: 65 66.544 2.394 0.914 0.566 0.953 0.625 CB 1.786 65 residues pruned to eliminate duplicates Z: 37 40.247 2.194 0.888 0.547 0.944 0.556 CB 1.638 37 residues pruned to eliminate duplicates Z: 37 29.860 2.190 0.540 0.507 0.917 0.694 CB 1.599 37 residues pruned to eliminate duplicates Z: 34 42.932 2.238 0.951 0.600 0.970 0.636 CB 1.605 34 residues pruned to eliminate duplicates Z: 38 40.611 2.195 0.905 0.551 0.946 0.541 CB 1.606 38 residues pruned to eliminate duplicates Z: 33 39.840 2.185 0.959 0.618 0.938 0.625 CB 1.571 33 residues pruned to eliminate duplicates Z: 110 88.751 2.420 0.970 0.580 0.908 0.688 CB 1.817 110 residues pruned to eliminate duplicates Z: 43 30.072 2.156 0.732 0.537 0.833 0.643 CB 1.438 43 residues pruned to eliminate duplicates Z: 22 30.863 2.214 0.738 0.639 1.000 0.762 CB 1.537 22 residues pruned to eliminate duplicates Z: 27 31.045 2.178 0.925 0.577 0.923 0.615 CB 1.461 27 residues pruned to eliminate duplicates Z: 26 28.103 2.186 0.852 0.555 0.880 0.640 CB 1.495 26 residues pruned to eliminate duplicates Z: 25 29.476 2.207 0.872 0.559 0.875 0.667 CB 1.572 25 residues pruned to eliminate duplicates Z: 26 27.535 2.192 0.823 0.547 0.840 0.720 CB 1.567 26 residues pruned to eliminate duplicates Z: 39 36.520 2.276 0.843 0.596 0.868 0.737 CB 1.483 39 residues pruned to eliminate duplicates Z: 13 22.859 2.021 0.774 0.769 1.000 0.667 CB 1.450 13 residues pruned to eliminate duplicates Z: 21 25.535 2.195 0.640 0.640 0.950 0.750 CB 1.464 21 residues pruned to eliminate duplicates Z: 31 22.476 2.080 0.692 0.483 0.833 0.667 CB 1.423 31 residues pruned to eliminate duplicates Z: 16 17.414 1.923 0.609 0.679 0.867 0.733 CB 1.421 16 residues pruned to eliminate duplicates Z: 30 25.286 2.242 0.679 0.529 0.793 0.586 CB 1.529 30 residues pruned to eliminate duplicates Z: 57 41.754 2.173 0.816 0.590 0.875 0.571 CB 1.483 57 residues pruned to eliminate duplicates Z: 20 24.401 2.139 0.714 0.619 0.842 0.632 CA 1.620 20 residues pruned to eliminate duplicates Z: 26 28.858 2.198 0.903 0.560 0.840 0.560 CB 1.549 26 residues pruned to eliminate duplicates Z: 40 29.750 2.219 0.631 0.568 0.846 0.667 CB 1.457 40 residues pruned to eliminate duplicates Z: 53 45.285 2.192 0.768 0.613 0.904 0.712 CB 1.611 53 residues pruned to eliminate duplicates Z: 39 27.847 2.124 0.716 0.548 0.816 0.711 CB 1.449 39 residues pruned to eliminate duplicates Z: 58 41.924 2.213 0.719 0.574 0.895 0.684 CB 1.520 58 residues pruned to eliminate duplicates Z: 154 106.583 2.465 0.904 0.600 0.928 0.699 CB 1.799 160 residues pruned to eliminate duplicates Z: 6 4.090 1.711 1.062 0.307 0.800 0.800 CB 0.803 6 residues pruned to eliminate duplicates Z: 163 95.213 2.411 0.766 0.581 0.932 0.716 CB 1.744 163 residues pruned to eliminate duplicates Z: 27 24.044 2.161 0.713 0.554 0.846 0.769 CB 1.428 27 residues pruned to eliminate duplicates Z: 20 19.025 2.223 0.720 0.477 0.842 0.632 CB 1.387 20 residues pruned to eliminate duplicates Z: 11 6.667 2.172 0.926 0.252 0.600 0.500 CB 1.117 11 residues pruned to eliminate duplicates Z: 10 7.588 2.222 0.851 0.244 0.667 0.333 CB 1.239 10 residues pruned to eliminate duplicates Z: 72 54.891 2.212 0.928 0.592 0.901 0.662 CB 1.552 71 residues pruned to eliminate duplicates Z: 6 4.580 1.693 0.520 0.436 0.800 0.400 CB 1.063 6 residues pruned to eliminate duplicates Z: 14 20.876 2.334 0.630 0.636 0.846 0.615 CB 1.582 15 residues pruned to eliminate duplicates Z: 6 11.772 1.877 1.327 0.406 1.000 0.600 CB 1.330 6 residues pruned to eliminate duplicates Z: 50 38.496 2.153 0.807 0.558 0.898 0.531 CB 1.489 50 residues pruned to eliminate duplicates Z: 40 31.596 2.163 0.706 0.585 0.872 0.692 CB 1.449 40 residues pruned to eliminate duplicates Z: 10 23.482 2.211 1.156 0.726 0.889 0.778 CB 1.506 10 residues pruned to eliminate duplicates Z: 19 24.678 2.262 1.023 0.548 0.889 0.778 CB 1.364 19 residues pruned to eliminate duplicates Z: 39 35.534 2.277 0.812 0.564 0.895 0.711 CB 1.467 39 residues pruned to eliminate duplicates 598 residues left after pruning, divided into chains as follows: A: 100 B: 9 C: 6 D: 177 E: 140 F: 166 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 35.28 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.523, Connect. = 0.745 for dens.mod. cycle 1 = 0.302, Contrast = 0.598, Connect. = 0.774 for dens.mod. cycle 2 = 0.302, Contrast = 0.724, Connect. = 0.810 for dens.mod. cycle 3 = 0.302, Contrast = 0.734, Connect. = 0.813 for dens.mod. cycle 4 = 0.302, Contrast = 0.750, Connect. = 0.816 for dens.mod. cycle 5 = 0.302, Contrast = 0.757, Connect. = 0.818 for dens.mod. cycle 6 = 0.302, Contrast = 0.766, Connect. = 0.820 for dens.mod. cycle 7 = 0.302, Contrast = 0.771, Connect. = 0.821 for dens.mod. cycle 8 = 0.302, Contrast = 0.776, Connect. = 0.822 for dens.mod. cycle 9 = 0.302, Contrast = 0.780, 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 0.701 0.733 0.776 0.781 0.767 0.749 0.722 0.680 0.632 0.595 0.871 0.888 0.916 0.917 0.903 0.879 0.842 0.785 0.733 0.688 N 12809 12792 13087 12892 13008 12386 12687 13686 12589 11404 Estimated mean FOM = 0.715 Pseudo-free CC = 72.73 % Best trace (cycle 2 with CC 38.32%) was saved as ./2oh1-1.5-parrot-hancs/2oh1-1.5-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.1 - Setup, data input and phasing 20.3 - FFTs and peak-searches 32.4 - Sphere of influence 1.5 - Rest of density modification 0.0 - Alpha-helix search 2800.2 - Tripeptide search 22240.8 - Chain tracing 0.0 - NCS analysis 101.5 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 23:52:39 Total time: 25198.17 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 422.48 Used memory is bytes: 15588968