null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:13:10 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: ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.ins Phases from ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.phi Native data from ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.hkl Listing output to ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.lst Phases output to ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.phs Poly-Ala trace output to ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: F 4 3 2 Allowed origin shift code: 14 74704 Reflections read from file ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.phi 74704 Reflections read from file ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.hkl 74704 Unique data, highest resolution = 1.880 Angstroms Anisotropic scaling: intensities multiplied by 0.000000h^2 +0.000000k^2 +0.000000l^2 +0.000000kl +0.000000hl +0.000000hk 74 Reflections with d > 2.080 and 0 in range 2.080 > d > 1.880 added Density sharpening factor set to 0.93 Fourier grid = 512 x 512 x 129 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.721 = 0.300, Contrast = 0.612, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.770, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 1.132, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 1.271, Connect. = 0.815 for dens.mod. cycle 4 = 0.300, Contrast = 1.328, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 1.351, Connect. = 0.829 for dens.mod. cycle 6 = 0.300, Contrast = 1.360, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.360, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.358, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 1.354, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2791 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 611 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 27.096 2.282 0.809 0.851 0.909 0.909 CB 1.612 B: 22 58.131 2.500 1.279 0.857 0.952 0.810 CA 1.723 C: 11 34.002 2.253 1.095 0.919 1.000 1.000 CB 1.605 D: 22 52.316 2.398 1.083 0.860 1.000 0.667 CA 1.680 22 residues pruned to eliminate duplicates E: 27 70.256 2.411 1.220 0.900 1.000 0.692 CA 1.838 F: 22 53.164 2.446 1.196 0.866 0.905 0.667 CA 1.748 G: 19 52.227 2.333 1.211 0.911 1.000 0.889 CB 1.692 H: 12 34.170 2.264 1.277 0.915 1.000 0.545 CB 1.412 I: 22 62.713 2.485 1.279 0.869 1.000 0.762 CA 1.765 22 residues pruned to eliminate duplicates J: 10 17.500 2.314 0.734 0.826 0.889 0.889 CB 1.233 10 residues pruned to eliminate duplicates K: 28 57.194 2.355 1.068 0.901 0.889 0.741 CA 1.815 28 residues pruned to eliminate duplicates L: 30 65.994 2.535 1.057 0.936 1.000 0.759 CB 1.637 M: 31 68.085 2.425 1.394 0.897 1.000 0.767 CB 1.532 30 residues pruned to eliminate duplicates N: 11 41.243 2.404 1.255 0.920 1.000 0.700 CB 1.695 12 residues pruned to eliminate duplicates O: 24 83.479 2.589 1.481 0.944 0.957 0.783 CB 1.962 26 residues pruned to eliminate duplicates P: 22 62.812 2.408 1.432 0.879 1.000 0.810 CA 1.698 22 residues pruned to eliminate duplicates Q: 25 85.373 2.523 1.556 0.933 1.000 0.750 CB 1.886 R: 31 51.333 2.436 0.776 0.906 0.967 0.867 CB 1.593 30 residues pruned to eliminate duplicates S: 11 40.234 2.451 1.090 0.821 1.000 0.700 CA 1.880 12 residues pruned to eliminate duplicates T: 25 83.336 2.563 1.436 0.954 0.958 0.792 CB 1.955 25 residues pruned to eliminate duplicates U: 26 68.309 2.448 1.241 0.901 0.960 0.880 CB 1.852 26 residues pruned to eliminate duplicates V: 26 83.684 2.423 1.638 0.951 1.000 0.720 CB 1.804 27 residues pruned to eliminate duplicates W: 25 67.178 2.493 1.187 0.932 0.958 0.792 CA 1.832 25 residues pruned to eliminate duplicates X: 22 64.530 2.493 1.351 0.894 1.000 0.857 CA 1.724 22 residues pruned to eliminate duplicates Y: 25 86.863 2.558 1.616 0.942 0.958 0.667 CA 1.918 25 residues pruned to eliminate duplicates Z: 10 31.800 2.541 0.674 0.910 1.000 1.000 CB 1.768 10 residues pruned to eliminate duplicates Z: 25 75.867 2.520 1.541 0.896 0.917 0.542 CB 1.891 25 residues pruned to eliminate duplicates Z: 11 20.186 2.308 0.676 0.804 0.800 0.700 CB 1.582 11 residues pruned to eliminate duplicates Z: 31 68.487 2.448 1.365 0.948 0.967 0.700 CB 1.543 Z: 28 59.025 2.427 1.094 0.796 0.963 0.704 CA 1.791 Z: 11 28.477 2.281 0.962 0.880 1.000 0.900 CB 1.458 11 residues pruned to eliminate duplicates Z: 22 52.338 2.413 1.145 0.874 1.000 0.810 CA 1.606 22 residues pruned to eliminate duplicates Z: 26 74.102 2.497 1.433 0.895 0.960 0.640 CB 1.821 26 residues pruned to eliminate duplicates Z: 17 24.595 2.140 0.561 0.844 0.938 0.812 CA 1.461 17 residues pruned to eliminate duplicates Z: 18 55.601 2.441 1.197 0.916 1.000 0.941 CB 1.775 19 residues pruned to eliminate duplicates Z: 22 58.698 2.397 1.270 0.866 1.000 0.714 CB 1.724 21 residues pruned to eliminate duplicates Z: 19 56.519 2.438 1.326 0.945 1.000 0.722 CB 1.625 Z: 29 58.089 2.325 1.159 0.927 0.964 0.821 CB 1.589 Z: 19 57.474 2.396 1.331 0.901 1.000 0.778 CB 1.731 19 residues pruned to eliminate duplicates Z: 26 80.157 2.478 1.494 0.916 0.960 0.440 CB 1.908 26 residues pruned to eliminate duplicates Z: 26 54.532 2.432 1.049 0.925 1.000 0.880 CB 1.535 26 residues pruned to eliminate duplicates Z: 31 55.936 2.406 0.868 0.947 0.967 0.933 CB 1.625 31 residues pruned to eliminate duplicates Z: 19 51.172 2.382 1.127 0.893 1.000 0.833 CB 1.710 19 residues pruned to eliminate duplicates Z: 21 53.005 2.459 1.288 0.839 0.950 0.700 CB 1.657 22 residues pruned to eliminate duplicates Z: 28 53.776 2.349 0.887 0.863 0.963 0.667 CB 1.779 Z: 16 59.005 2.486 1.308 0.896 1.000 0.800 CA 1.902 16 residues pruned to eliminate duplicates Z: 14 38.817 2.572 1.035 0.862 0.846 0.615 CB 1.784 14 residues pruned to eliminate duplicates Z: 28 51.291 2.378 0.849 0.875 0.926 0.778 CA 1.762 28 residues pruned to eliminate duplicates Z: 13 32.715 2.567 0.764 0.923 1.000 0.833 CB 1.465 13 residues pruned to eliminate duplicates Z: 26 60.248 2.403 1.139 0.899 0.960 0.800 CA 1.745 25 residues pruned to eliminate duplicates Z: 31 50.256 2.429 0.747 0.912 0.967 0.900 CB 1.584 31 residues pruned to eliminate duplicates Z: 27 54.960 2.482 1.075 0.846 0.885 0.577 CB 1.758 27 residues pruned to eliminate duplicates Z: 18 61.530 2.360 1.629 0.906 0.941 0.412 CB 1.818 18 residues pruned to eliminate duplicates Z: 31 51.312 2.423 0.844 0.919 0.933 0.933 CB 1.583 31 residues pruned to eliminate duplicates Z: 22 58.884 2.469 1.203 0.880 1.000 0.857 CA 1.712 22 residues pruned to eliminate duplicates Z: 22 53.055 2.461 0.967 0.867 1.000 0.905 CA 1.750 22 residues pruned to eliminate duplicates Z: 15 33.708 2.398 0.989 0.834 0.929 0.571 CB 1.525 15 residues pruned to eliminate duplicates Z: 17 64.023 2.491 1.617 0.897 1.000 0.562 CB 1.757 17 residues pruned to eliminate duplicates Z: 67 88.426 2.534 1.133 0.723 0.985 0.697 CB 1.672 55 residues pruned to eliminate duplicates Z: 26 64.834 2.438 1.400 0.920 0.880 0.480 CB 1.775 26 residues pruned to eliminate duplicates Z: 12 29.292 2.355 0.739 0.807 1.000 0.636 CB 1.651 Z: 11 24.917 2.449 0.656 0.709 0.900 0.800 CA 1.785 11 residues pruned to eliminate duplicates Z: 11 27.616 2.380 0.709 0.915 1.000 1.000 CB 1.517 11 residues pruned to eliminate duplicates Z: 12 24.536 2.084 1.005 0.864 0.909 0.727 CA 1.428 12 residues pruned to eliminate duplicates Z: 12 22.773 2.312 0.513 0.848 1.000 0.909 CB 1.456 12 residues pruned to eliminate duplicates Z: 22 44.617 2.381 0.901 0.856 0.952 0.571 CA 1.666 22 residues pruned to eliminate duplicates Z: 26 63.730 2.462 1.115 0.924 0.920 0.920 CA 1.868 26 residues pruned to eliminate duplicates Z: 18 34.831 2.266 1.058 0.845 0.941 0.765 CB 1.431 Z: 31 49.477 2.426 0.658 0.942 0.967 0.933 CB 1.611 31 residues pruned to eliminate duplicates Z: 31 56.165 2.445 0.949 0.917 0.933 0.867 CB 1.626 31 residues pruned to eliminate duplicates Z: 25 80.120 2.550 1.346 0.947 0.958 0.792 CB 1.972 25 residues pruned to eliminate duplicates Z: 26 65.060 2.443 1.129 0.896 0.960 0.840 CA 1.867 26 residues pruned to eliminate duplicates Z: 28 61.338 2.414 1.168 0.843 0.963 0.704 CA 1.744 28 residues pruned to eliminate duplicates Z: 24 73.200 2.572 1.223 0.944 0.957 0.870 CA 1.932 24 residues pruned to eliminate duplicates Z: 17 52.930 2.379 1.300 0.887 1.000 0.875 CB 1.744 17 residues pruned to eliminate duplicates Z: 32 55.399 2.360 0.980 0.898 0.968 0.806 CB 1.574 32 residues pruned to eliminate duplicates Z: 18 49.425 2.387 1.196 0.874 0.941 0.824 CB 1.769 18 residues pruned to eliminate duplicates Z: 28 65.728 2.445 1.160 0.856 1.000 0.704 CB 1.767 28 residues pruned to eliminate duplicates Z: 27 67.181 2.509 1.333 0.929 0.962 0.692 CB 1.638 27 residues pruned to eliminate duplicates Z: 19 47.120 2.411 0.964 0.928 1.000 0.944 CB 1.642 19 residues pruned to eliminate duplicates Z: 27 67.220 2.520 1.254 0.943 0.962 0.615 CB 1.672 29 residues pruned to eliminate duplicates Z: 31 73.542 2.463 1.606 0.918 0.933 0.467 CB 1.580 33 residues pruned to eliminate duplicates Z: 28 54.045 2.376 1.139 0.832 0.889 0.556 CB 1.728 28 residues pruned to eliminate duplicates Z: 32 73.072 2.412 1.557 0.929 0.968 0.452 CB 1.540 32 residues pruned to eliminate duplicates Z: 31 76.493 2.530 1.485 0.914 0.967 0.600 CB 1.625 30 residues pruned to eliminate duplicates Z: 13 23.429 2.208 0.824 0.749 0.917 0.583 CA 1.466 13 residues pruned to eliminate duplicates Z: 26 74.745 2.457 1.311 0.936 1.000 0.720 CA 1.833 26 residues pruned to eliminate duplicates Z: 19 48.671 2.428 1.204 0.924 0.944 0.833 CB 1.594 19 residues pruned to eliminate duplicates Z: 20 37.991 2.424 0.891 0.790 0.895 0.579 CA 1.647 20 residues pruned to eliminate duplicates Z: 22 54.742 2.414 1.235 0.876 0.952 0.714 CA 1.690 22 residues pruned to eliminate duplicates Z: 26 67.466 2.469 1.379 0.920 0.880 0.560 CB 1.838 26 residues pruned to eliminate duplicates Z: 28 61.468 2.378 1.263 0.903 0.926 0.519 CB 1.692 Z: 20 31.717 2.226 0.933 0.764 0.895 0.632 CB 1.494 20 residues pruned to eliminate duplicates Z: 31 69.772 2.455 1.463 0.915 0.933 0.600 CB 1.595 31 residues pruned to eliminate duplicates Z: 30 53.827 2.425 0.826 0.947 1.000 0.931 CB 1.560 31 residues pruned to eliminate duplicates Z: 32 69.369 2.433 1.537 0.915 0.903 0.516 CB 1.578 31 residues pruned to eliminate duplicates Z: 25 61.754 2.351 1.237 0.942 0.958 0.583 CB 1.735 27 residues pruned to eliminate duplicates Z: 25 54.624 2.398 1.045 0.886 0.917 0.667 CB 1.790 25 residues pruned to eliminate duplicates Z: 18 63.989 2.391 1.568 0.909 1.000 0.588 CB 1.793 18 residues pruned to eliminate duplicates Z: 17 53.470 2.441 1.068 0.952 1.000 0.875 CB 1.824 17 residues pruned to eliminate duplicates Z: 26 54.580 2.522 0.783 0.954 1.000 0.880 CB 1.670 26 residues pruned to eliminate duplicates Z: 45 66.614 2.455 1.132 0.673 0.932 0.659 CB 1.755 40 residues pruned to eliminate duplicates Z: 17 43.897 2.500 0.887 0.941 0.938 0.938 CB 1.722 17 residues pruned to eliminate duplicates Z: 25 55.257 2.446 0.798 0.931 1.000 0.958 CA 1.793 25 residues pruned to eliminate duplicates Z: 31 68.090 2.434 1.279 0.944 1.000 0.867 CB 1.553 30 residues pruned to eliminate duplicates Z: 25 71.123 2.468 1.269 0.911 1.000 0.875 CB 1.837 25 residues pruned to eliminate duplicates Z: 18 57.582 2.466 1.389 0.943 1.000 0.765 CB 1.642 18 residues pruned to eliminate duplicates Z: 28 52.552 2.340 1.076 0.868 0.889 0.481 CB 1.712 28 residues pruned to eliminate duplicates Z: 21 50.043 2.417 1.167 0.840 0.950 0.550 CB 1.679 21 residues pruned to eliminate duplicates Z: 25 66.181 2.506 1.166 0.922 0.958 0.708 CB 1.827 25 residues pruned to eliminate duplicates Z: 19 66.521 2.413 1.699 0.898 1.000 0.500 CB 1.722 19 residues pruned to eliminate duplicates Z: 28 57.196 2.392 1.050 0.877 0.926 0.741 CA 1.761 28 residues pruned to eliminate duplicates Z: 19 55.633 2.517 1.140 0.879 1.000 0.833 CB 1.765 19 residues pruned to eliminate duplicates Z: 21 55.102 2.536 1.496 0.951 0.950 0.700 CB 1.413 21 residues pruned to eliminate duplicates Z: 21 58.823 2.485 1.285 0.862 1.000 0.750 CB 1.701 21 residues pruned to eliminate duplicates Z: 11 28.388 2.444 0.797 0.846 0.900 0.800 CA 1.686 11 residues pruned to eliminate duplicates Z: 116 114.548 2.415 1.213 0.707 0.974 0.687 CB 1.700 91 residues pruned to eliminate duplicates Z: 18 55.753 2.402 1.263 0.899 1.000 0.882 CA 1.779 18 residues pruned to eliminate duplicates Z: 32 68.257 2.428 1.365 0.956 0.968 0.774 CB 1.515 32 residues pruned to eliminate duplicates Z: 33 66.012 2.367 1.480 0.891 0.969 0.500 CB 1.475 33 residues pruned to eliminate duplicates Z: 20 58.419 2.320 1.517 0.910 1.000 0.579 CB 1.628 19 residues pruned to eliminate duplicates Z: 18 50.381 2.401 1.112 0.909 1.000 0.882 CB 1.710 18 residues pruned to eliminate duplicates Z: 28 63.782 2.471 1.279 0.917 0.963 0.741 CB 1.597 28 residues pruned to eliminate duplicates Z: 12 17.255 2.056 0.599 0.680 0.909 0.364 CB 1.476 12 residues pruned to eliminate duplicates Z: 27 59.720 2.458 1.204 0.856 0.923 0.654 CB 1.728 27 residues pruned to eliminate duplicates Z: 31 69.673 2.514 1.249 0.924 0.933 0.733 CB 1.692 31 residues pruned to eliminate duplicates Z: 26 60.188 2.387 1.037 0.932 1.000 0.880 CA 1.729 26 residues pruned to eliminate duplicates Z: 14 30.644 2.270 0.743 0.836 0.923 0.462 CA 1.741 14 residues pruned to eliminate duplicates Z: 26 71.178 2.460 1.542 0.949 0.960 0.560 CB 1.636 27 residues pruned to eliminate duplicates Z: 27 63.184 2.453 1.110 0.915 1.000 0.808 CB 1.692 27 residues pruned to eliminate duplicates Z: 27 67.050 2.397 1.138 0.932 0.962 0.808 CB 1.863 26 residues pruned to eliminate duplicates Z: 17 50.528 2.399 1.111 0.907 1.000 0.812 CB 1.773 17 residues pruned to eliminate duplicates Z: 26 67.865 2.466 1.367 0.957 1.000 0.760 CB 1.596 26 residues pruned to eliminate duplicates Z: 22 53.860 2.452 1.195 0.869 1.000 0.857 CA 1.596 22 residues pruned to eliminate duplicates Z: 11 40.330 2.363 1.467 0.925 1.000 0.800 CB 1.536 11 residues pruned to eliminate duplicates Z: 22 57.013 2.556 1.407 0.949 0.952 0.667 CB 1.466 22 residues pruned to eliminate duplicates Z: 21 56.687 2.510 1.129 0.896 1.000 0.800 CA 1.699 21 residues pruned to eliminate duplicates Z: 31 75.127 2.489 1.541 0.944 0.933 0.567 CB 1.610 31 residues pruned to eliminate duplicates Z: 22 59.703 2.467 1.237 0.849 1.000 0.714 CB 1.751 22 residues pruned to eliminate duplicates Z: 27 52.309 2.482 0.889 0.937 0.923 0.769 CB 1.649 27 residues pruned to eliminate duplicates Z: 25 76.862 2.483 1.495 0.948 0.917 0.250 CB 1.908 25 residues pruned to eliminate duplicates Z: 20 34.732 2.173 1.067 0.793 0.947 0.684 CB 1.449 Z: 26 65.971 2.430 1.101 0.932 0.960 0.880 CA 1.881 26 residues pruned to eliminate duplicates Z: 31 63.139 2.465 1.157 0.922 0.967 0.733 CB 1.577 31 residues pruned to eliminate duplicates Z: 24 87.191 2.575 1.708 0.926 0.957 0.652 CB 1.911 24 residues pruned to eliminate duplicates Z: 18 50.789 2.304 1.532 0.851 1.000 0.588 CB 1.563 18 residues pruned to eliminate duplicates Z: 31 64.686 2.452 1.416 0.929 0.967 0.633 CB 1.444 31 residues pruned to eliminate duplicates Z: 26 66.673 2.491 1.181 0.903 0.920 0.840 CB 1.901 26 residues pruned to eliminate duplicates Z: 22 62.841 2.448 1.307 0.894 1.000 0.952 CA 1.742 22 residues pruned to eliminate duplicates Z: 15 53.365 2.529 1.264 0.933 0.929 0.857 CB 1.871 15 residues pruned to eliminate duplicates Z: 28 57.556 2.418 1.085 0.929 0.926 0.852 CB 1.660 26 residues pruned to eliminate duplicates Z: 14 31.683 2.191 0.676 0.892 1.000 0.385 CA 1.718 17 residues pruned to eliminate duplicates Z: 31 53.197 2.407 0.840 0.941 0.967 0.833 CB 1.575 31 residues pruned to eliminate duplicates Z: 30 74.808 2.508 1.417 0.932 1.000 0.655 CB 1.600 30 residues pruned to eliminate duplicates Z: 79 81.404 2.462 1.134 0.643 0.936 0.679 CB 1.639 65 residues pruned to eliminate duplicates Z: 27 59.212 2.368 1.362 0.941 0.885 0.500 CB 1.629 27 residues pruned to eliminate duplicates Z: 22 49.551 2.508 0.926 0.911 1.000 0.714 CB 1.586 22 residues pruned to eliminate duplicates Z: 19 36.133 2.279 1.048 0.842 0.944 0.833 CB 1.440 18 residues pruned to eliminate duplicates Z: 19 52.027 2.406 1.168 0.951 1.000 0.833 CB 1.620 19 residues pruned to eliminate duplicates Z: 28 64.895 2.354 1.229 0.947 0.963 0.815 CB 1.708 28 residues pruned to eliminate duplicates Z: 27 56.493 2.368 0.983 0.909 0.923 0.885 CA 1.815 27 residues pruned to eliminate duplicates Z: 28 51.426 2.399 0.890 0.932 0.963 0.815 CB 1.582 28 residues pruned to eliminate duplicates Z: 28 52.633 2.389 0.939 0.919 1.000 0.778 CB 1.541 28 residues pruned to eliminate duplicates Z: 10 24.202 2.428 0.443 0.882 1.000 0.889 CB 1.665 10 residues pruned to eliminate duplicates Z: 26 71.765 2.470 1.475 0.925 0.880 0.760 CA 1.873 26 residues pruned to eliminate duplicates Z: 32 49.588 2.334 0.822 0.868 0.968 0.839 CB 1.582 32 residues pruned to eliminate duplicates Z: 33 65.486 2.352 1.353 0.903 0.969 0.594 CB 1.538 33 residues pruned to eliminate duplicates Z: 27 54.993 2.480 0.923 0.836 0.923 0.692 CB 1.833 27 residues pruned to eliminate duplicates Z: 25 73.906 2.465 1.240 0.951 1.000 0.542 CB 1.883 25 residues pruned to eliminate duplicates Z: 22 56.090 2.510 1.375 0.950 0.952 0.667 CB 1.486 22 residues pruned to eliminate duplicates Z: 19 59.754 2.427 1.375 0.920 1.000 0.889 CB 1.721 19 residues pruned to eliminate duplicates Z: 27 72.759 2.502 1.551 0.932 0.962 0.577 CB 1.624 27 residues pruned to eliminate duplicates Z: 28 66.891 2.399 1.209 0.939 1.000 0.852 CB 1.688 28 residues pruned to eliminate duplicates Z: 32 46.899 2.398 0.586 0.914 0.968 0.903 CB 1.618 32 residues pruned to eliminate duplicates Z: 28 59.185 2.338 0.932 0.938 1.000 0.778 CB 1.753 28 residues pruned to eliminate duplicates Z: 28 62.286 2.322 1.206 0.914 0.963 0.556 CB 1.719 28 residues pruned to eliminate duplicates Z: 31 72.065 2.453 1.627 0.943 0.967 0.333 CB 1.464 31 residues pruned to eliminate duplicates Z: 27 68.077 2.409 1.277 0.947 0.962 0.731 CB 1.749 27 residues pruned to eliminate duplicates Z: 12 28.573 2.300 0.894 0.798 0.909 0.545 CB 1.675 12 residues pruned to eliminate duplicates Z: 22 52.416 2.471 1.176 0.859 0.905 0.762 CA 1.730 22 residues pruned to eliminate duplicates Z: 11 27.836 2.448 0.748 0.800 0.900 0.800 CA 1.758 11 residues pruned to eliminate duplicates Z: 28 58.796 2.351 1.091 0.901 0.926 0.667 CB 1.774 28 residues pruned to eliminate duplicates Z: 27 75.110 2.497 1.463 0.940 1.000 0.692 CB 1.663 28 residues pruned to eliminate duplicates Z: 30 65.727 2.505 1.342 0.914 0.931 0.621 CB 1.581 30 residues pruned to eliminate duplicates Z: 7 9.535 1.945 0.539 0.704 0.833 0.667 CA 1.297 7 residues pruned to eliminate duplicates Z: 27 78.068 2.422 1.398 0.945 1.000 0.500 CB 1.824 27 residues pruned to eliminate duplicates Z: 18 53.063 2.380 1.499 0.889 0.941 0.647 CB 1.655 18 residues pruned to eliminate duplicates Z: 22 56.013 2.447 1.058 0.888 1.000 0.905 CB 1.749 22 residues pruned to eliminate duplicates Z: 180 142.694 2.436 1.326 0.685 0.961 0.626 CB 1.653 127 residues pruned to eliminate duplicates Z: 28 62.165 2.354 1.365 0.900 0.926 0.593 CB 1.658 28 residues pruned to eliminate duplicates Z: 31 78.476 2.469 1.573 0.951 1.000 0.633 CB 1.555 31 residues pruned to eliminate duplicates Z: 29 58.728 2.375 1.146 0.800 0.929 0.714 CB 1.804 29 residues pruned to eliminate duplicates Z: 19 58.358 2.404 1.445 0.877 1.000 0.889 CB 1.699 19 residues pruned to eliminate duplicates Z: 26 73.353 2.418 1.564 0.957 1.000 0.280 CB 1.624 26 residues pruned to eliminate duplicates Z: 28 54.181 2.363 0.954 0.872 0.963 0.630 CB 1.710 28 residues pruned to eliminate duplicates Z: 31 72.744 2.438 1.667 0.917 0.933 0.333 CB 1.544 33 residues pruned to eliminate duplicates Z: 16 32.400 2.371 0.870 0.750 0.933 0.667 CA 1.618 16 residues pruned to eliminate duplicates Z: 19 31.817 2.184 0.944 0.808 0.944 0.556 CB 1.430 19 residues pruned to eliminate duplicates Z: 19 52.972 2.362 1.364 0.877 0.944 0.556 CB 1.720 19 residues pruned to eliminate duplicates Z: 29 69.777 2.386 1.461 0.940 1.000 0.679 CB 1.560 29 residues pruned to eliminate duplicates Z: 18 42.643 2.328 1.160 0.873 1.000 0.647 CB 1.497 20 residues pruned to eliminate duplicates Z: 26 48.220 2.426 1.110 0.797 0.840 0.600 CB 1.729 26 residues pruned to eliminate duplicates Z: 10 24.091 2.313 0.789 0.898 0.889 0.889 CA 1.562 10 residues pruned to eliminate duplicates Z: 7 10.748 1.882 0.430 0.719 1.000 0.500 CA 1.338 7 residues pruned to eliminate duplicates Z: 24 83.482 2.416 1.771 0.914 1.000 0.348 CB 1.839 24 residues pruned to eliminate duplicates Z: 18 33.166 2.260 1.036 0.859 0.941 0.588 CB 1.367 18 residues pruned to eliminate duplicates Z: 28 71.015 2.473 1.565 0.936 0.963 0.444 CB 1.558 28 residues pruned to eliminate duplicates Z: 25 85.340 2.440 1.695 0.941 1.000 0.375 CB 1.838 25 residues pruned to eliminate duplicates Z: 18 32.590 2.117 1.218 0.829 0.882 0.471 CB 1.435 18 residues pruned to eliminate duplicates Z: 24 87.524 2.581 1.588 0.964 0.957 0.609 CB 1.950 24 residues pruned to eliminate duplicates Z: 28 59.802 2.336 1.069 0.912 0.963 0.778 CB 1.750 28 residues pruned to eliminate duplicates Z: 185 142.620 2.446 1.276 0.706 0.946 0.630 CB 1.656 186 residues pruned to eliminate duplicates Z: 13 22.573 1.984 1.041 0.793 0.917 0.750 CA 1.358 13 residues pruned to eliminate duplicates Z: 7 8.446 1.982 0.273 0.848 1.000 1.000 CB 1.015 Z: 17 34.154 2.234 1.359 0.927 0.875 0.562 CB 1.298 17 residues pruned to eliminate duplicates Z: 26 66.553 2.426 1.460 0.927 0.920 0.520 CB 1.698 26 residues pruned to eliminate duplicates Z: 31 72.033 2.439 1.614 0.936 1.000 0.500 CB 1.436 31 residues pruned to eliminate duplicates Z: 31 72.156 2.470 1.480 0.944 0.967 0.433 CB 1.541 31 residues pruned to eliminate duplicates Z: 25 55.764 2.445 1.075 0.933 1.000 0.875 CB 1.565 25 residues pruned to eliminate duplicates Z: 18 40.595 2.303 1.155 0.857 1.000 0.647 CB 1.461 18 residues pruned to eliminate duplicates Z: 183 146.153 2.458 1.283 0.703 0.956 0.604 CB 1.679 183 residues pruned to eliminate duplicates Z: 26 83.768 2.501 1.662 0.919 0.920 0.640 CB 1.927 26 residues pruned to eliminate duplicates Z: 28 56.774 2.394 1.049 0.852 0.963 0.741 CB 1.710 28 residues pruned to eliminate duplicates Z: 19 52.801 2.365 1.214 0.951 1.000 0.944 CB 1.638 19 residues pruned to eliminate duplicates Z: 28 65.685 2.353 1.401 0.927 0.926 0.407 CB 1.694 28 residues pruned to eliminate duplicates Z: 30 62.771 2.474 1.229 0.940 1.000 0.793 CB 1.469 30 residues pruned to eliminate duplicates Z: 6 7.766 1.951 0.319 0.815 1.000 0.800 CB 1.027 6 residues pruned to eliminate duplicates Z: 28 50.202 2.357 0.935 0.859 0.889 0.630 CB 1.753 28 residues pruned to eliminate duplicates Z: 11 38.289 2.463 1.301 0.763 1.000 0.700 CA 1.692 11 residues pruned to eliminate duplicates Z: 27 57.759 2.388 0.831 0.922 1.000 0.885 CB 1.822 27 residues pruned to eliminate duplicates Z: 18 34.827 2.293 0.780 0.874 1.000 0.765 CB 1.507 18 residues pruned to eliminate duplicates Z: 18 54.794 2.498 1.407 0.883 0.941 0.824 CA 1.698 18 residues pruned to eliminate duplicates Z: 19 32.556 2.268 0.920 0.814 0.944 0.500 CB 1.420 19 residues pruned to eliminate duplicates Z: 22 45.569 2.418 1.045 0.860 0.905 0.810 CA 1.633 22 residues pruned to eliminate duplicates Z: 18 37.224 2.272 0.904 0.878 1.000 0.824 CB 1.514 18 residues pruned to eliminate duplicates Z: 22 51.463 2.446 0.986 0.866 1.000 0.762 CB 1.692 22 residues pruned to eliminate duplicates Z: 7 10.386 1.965 0.766 0.849 1.000 0.833 CB 0.905 7 residues pruned to eliminate duplicates Z: 23 51.695 2.368 1.323 0.907 0.864 0.500 CB 1.648 23 residues pruned to eliminate duplicates Z: 26 51.319 2.416 0.893 0.904 0.920 0.840 CA 1.738 26 residues pruned to eliminate duplicates Z: 18 38.806 2.294 1.267 0.879 0.941 0.765 CB 1.395 19 residues pruned to eliminate duplicates Z: 11 25.278 2.381 0.743 0.770 0.900 0.600 CB 1.685 11 residues pruned to eliminate duplicates Z: 28 57.327 2.387 1.068 0.825 0.926 0.630 CB 1.823 28 residues pruned to eliminate duplicates Z: 16 35.083 2.311 0.861 0.856 0.867 0.733 CB 1.792 16 residues pruned to eliminate duplicates Z: 22 47.125 2.419 0.920 0.857 0.952 0.905 CA 1.713 22 residues pruned to eliminate duplicates Z: 136 114.672 2.462 1.045 0.730 0.948 0.756 CB 1.680 136 residues pruned to eliminate duplicates Z: 6 8.949 2.143 0.566 0.598 0.800 0.600 CA 1.357 6 residues pruned to eliminate duplicates Z: 27 78.176 2.386 1.444 0.946 1.000 0.654 CB 1.818 27 residues pruned to eliminate duplicates Z: 27 63.369 2.482 1.194 0.848 0.923 0.769 CB 1.835 27 residues pruned to eliminate duplicates Z: 22 49.811 2.419 1.116 0.850 0.905 0.667 CA 1.738 22 residues pruned to eliminate duplicates Z: 11 28.188 2.235 1.034 0.829 0.900 0.700 CB 1.639 11 residues pruned to eliminate duplicates Z: 19 38.512 2.410 0.697 0.861 0.889 0.778 CB 1.835 19 residues pruned to eliminate duplicates Z: 26 54.601 2.329 0.873 0.932 0.960 0.720 CA 1.821 26 residues pruned to eliminate duplicates Z: 27 65.163 2.371 1.231 0.942 0.962 0.808 CA 1.743 27 residues pruned to eliminate duplicates Z: 220 161.835 2.483 1.310 0.713 0.945 0.562 CB 1.663 216 residues pruned to eliminate duplicates Z: 47 78.489 2.378 1.312 0.735 0.957 0.609 CB 1.783 47 residues pruned to eliminate duplicates Z: 60 77.444 2.507 1.056 0.699 0.983 0.661 CB 1.660 60 residues pruned to eliminate duplicates Z: 143 134.797 2.480 1.362 0.708 0.958 0.577 CB 1.669 143 residues pruned to eliminate duplicates Z: 30 58.679 2.207 1.324 0.930 0.931 0.621 CB 1.596 30 residues pruned to eliminate duplicates Z: 27 75.079 2.502 1.458 0.946 1.000 0.538 CB 1.656 27 residues pruned to eliminate duplicates Z: 32 68.498 2.409 1.554 0.894 0.968 0.581 CB 1.482 32 residues pruned to eliminate duplicates Z: 18 34.202 2.269 0.924 0.865 1.000 0.588 CB 1.392 18 residues pruned to eliminate duplicates Z: 21 44.097 2.299 0.955 0.842 1.000 0.800 CB 1.635 21 residues pruned to eliminate duplicates Z: 9 29.250 2.419 0.772 0.908 1.000 1.000 CB 1.713 9 residues pruned to eliminate duplicates Z: 10 38.773 2.504 1.207 0.890 1.000 1.000 CB 1.682 10 residues pruned to eliminate duplicates Z: 28 49.618 2.356 1.162 0.831 0.852 0.556 CB 1.654 28 residues pruned to eliminate duplicates Z: 25 56.888 2.460 0.881 0.939 0.958 0.958 CA 1.819 25 residues pruned to eliminate duplicates Z: 26 69.152 2.425 1.615 0.947 0.920 0.680 CB 1.639 26 residues pruned to eliminate duplicates Z: 62 63.330 2.316 1.020 0.684 0.918 0.689 CB 1.595 62 residues pruned to eliminate duplicates Z: 21 57.288 2.496 1.243 0.877 1.000 0.700 CB 1.661 21 residues pruned to eliminate duplicates Z: 28 63.912 2.370 1.403 0.933 0.926 0.556 CB 1.629 28 residues pruned to eliminate duplicates Z: 11 23.786 2.391 0.620 0.820 0.900 0.600 CA 1.634 11 residues pruned to eliminate duplicates Z: 13 38.732 2.363 0.970 0.895 1.000 0.750 CB 1.722 13 residues pruned to eliminate duplicates Z: 24 80.008 2.478 1.656 0.948 1.000 0.304 CB 1.751 24 residues pruned to eliminate duplicates Z: 25 51.793 2.255 1.110 0.945 0.958 0.667 CB 1.605 25 residues pruned to eliminate duplicates Z: 18 38.602 2.302 1.141 0.857 0.941 0.647 CB 1.487 18 residues pruned to eliminate duplicates Z: 217 162.092 2.467 1.293 0.736 0.949 0.597 CB 1.663 80 residues pruned to eliminate duplicates Z: 20 32.044 2.231 1.070 0.769 0.842 0.579 CB 1.489 20 residues pruned to eliminate duplicates Z: 28 58.624 2.407 1.058 0.854 0.926 0.593 CA 1.817 28 residues pruned to eliminate duplicates Z: 143 122.687 2.450 1.178 0.707 0.965 0.704 CB 1.657 143 residues pruned to eliminate duplicates Z: 26 59.330 2.421 1.086 0.939 1.000 0.920 CB 1.632 26 residues pruned to eliminate duplicates Z: 172 143.557 2.470 1.270 0.713 0.959 0.649 CB 1.683 172 residues pruned to eliminate duplicates Z: 11 21.504 2.282 0.505 0.894 0.900 0.500 CB 1.578 11 residues pruned to eliminate duplicates Z: 181 153.640 2.498 1.346 0.693 0.978 0.639 CB 1.675 147 residues pruned to eliminate duplicates Z: 31 47.776 2.345 0.832 0.929 0.933 0.833 CB 1.523 31 residues pruned to eliminate duplicates Z: 28 68.497 2.386 1.418 0.906 0.963 0.556 CB 1.688 28 residues pruned to eliminate duplicates Z: 21 57.200 2.494 1.081 0.886 1.000 0.750 CA 1.778 21 residues pruned to eliminate duplicates Z: 56 82.731 2.570 1.097 0.765 0.964 0.836 CB 1.698 56 residues pruned to eliminate duplicates Z: 18 32.827 2.268 0.844 0.861 1.000 0.706 CB 1.399 18 residues pruned to eliminate duplicates Z: 26 82.409 2.430 1.498 0.952 1.000 0.480 CB 1.870 26 residues pruned to eliminate duplicates Z: 18 43.587 2.303 1.326 0.872 1.000 0.706 CB 1.439 18 residues pruned to eliminate duplicates Z: 28 61.515 2.396 1.055 0.922 0.963 0.704 CB 1.756 28 residues pruned to eliminate duplicates Z: 17 34.552 2.118 0.852 0.843 1.000 0.875 CA 1.639 17 residues pruned to eliminate duplicates Z: 33 60.366 2.334 1.337 0.893 0.938 0.469 CB 1.499 33 residues pruned to eliminate duplicates Z: 19 32.438 2.271 0.959 0.823 0.944 0.667 CB 1.375 19 residues pruned to eliminate duplicates Z: 18 46.130 2.364 1.301 0.877 0.882 0.471 CB 1.694 18 residues pruned to eliminate duplicates Z: 18 32.797 2.235 1.152 0.817 0.941 0.529 CB 1.334 18 residues pruned to eliminate duplicates Z: 183 140.028 2.490 1.261 0.672 0.945 0.544 CB 1.665 183 residues pruned to eliminate duplicates Z: 28 58.203 2.315 1.142 0.914 0.926 0.778 CA 1.725 28 residues pruned to eliminate duplicates Z: 18 59.250 2.321 1.509 0.901 1.000 0.529 CB 1.761 18 residues pruned to eliminate duplicates Z: 20 38.006 2.451 0.586 0.953 1.000 1.000 CB 1.544 20 residues pruned to eliminate duplicates Z: 10 28.824 2.488 0.755 0.869 1.000 0.667 CB 1.606 10 residues pruned to eliminate duplicates Z: 28 65.012 2.468 1.336 0.922 0.963 0.593 CB 1.585 28 residues pruned to eliminate duplicates Z: 6 8.291 2.129 0.244 0.615 0.800 0.600 CA 1.569 6 residues pruned to eliminate duplicates Z: 17 54.104 2.443 1.303 0.894 0.938 0.688 CA 1.839 17 residues pruned to eliminate duplicates Z: 15 37.011 2.368 1.009 0.863 1.000 0.643 CB 1.525 15 residues pruned to eliminate duplicates Z: 182 139.399 2.460 1.134 0.696 0.978 0.680 CB 1.687 156 residues pruned to eliminate duplicates Z: 65 75.360 2.471 1.033 0.719 0.906 0.625 CB 1.697 65 residues pruned to eliminate duplicates Z: 18 35.802 2.240 1.171 0.844 0.941 0.824 CB 1.412 18 residues pruned to eliminate duplicates Z: 18 57.113 2.395 1.595 0.839 0.941 0.353 CB 1.768 18 residues pruned to eliminate duplicates Z: 6 10.458 2.153 0.368 0.633 0.800 0.400 CA 1.752 Z: 92 102.100 2.512 1.112 0.734 0.978 0.769 CB 1.670 92 residues pruned to eliminate duplicates Z: 28 47.604 2.306 0.939 0.823 0.926 0.667 CA 1.673 28 residues pruned to eliminate duplicates Z: 11 32.525 2.432 1.072 0.779 0.900 0.800 CA 1.773 11 residues pruned to eliminate duplicates Z: 26 62.896 2.549 1.042 0.874 0.960 0.800 CB 1.833 26 residues pruned to eliminate duplicates Z: 27 68.989 2.374 1.508 0.905 0.923 0.500 CB 1.751 Z: 134 129.251 2.496 1.326 0.732 0.962 0.602 CB 1.628 134 residues pruned to eliminate duplicates Z: 219 150.636 2.461 1.157 0.728 0.936 0.725 CB 1.673 219 residues pruned to eliminate duplicates Z: 6 9.912 2.093 0.584 0.595 0.800 0.600 CA 1.527 6 residues pruned to eliminate duplicates Z: 71 72.306 2.453 1.050 0.615 0.929 0.643 CB 1.659 71 residues pruned to eliminate duplicates Z: 28 52.769 2.325 0.837 0.906 0.963 0.815 CB 1.757 28 residues pruned to eliminate duplicates Z: 25 63.697 2.482 1.064 0.943 1.000 0.917 CA 1.759 25 residues pruned to eliminate duplicates Z: 129 136.130 2.490 1.356 0.756 0.977 0.656 CB 1.673 129 residues pruned to eliminate duplicates Z: 28 52.679 2.420 1.004 0.815 0.926 0.481 CB 1.716 28 residues pruned to eliminate duplicates Z: 27 71.603 2.367 1.696 0.929 0.962 0.654 CB 1.602 27 residues pruned to eliminate duplicates Z: 29 51.763 2.376 1.068 0.816 0.857 0.464 CB 1.764 29 residues pruned to eliminate duplicates Z: 22 49.830 2.368 1.149 0.861 0.952 0.810 CA 1.648 22 residues pruned to eliminate duplicates Z: 30 41.909 2.349 0.471 0.948 1.000 0.931 CB 1.556 30 residues pruned to eliminate duplicates Z: 168 143.286 2.466 1.300 0.717 0.958 0.623 CB 1.676 168 residues pruned to eliminate duplicates Z: 21 41.474 2.188 1.508 0.932 0.850 0.450 CB 1.388 21 residues pruned to eliminate duplicates Z: 186 141.704 2.448 1.173 0.698 0.957 0.654 CB 1.709 81 residues pruned to eliminate duplicates Z: 21 51.501 2.547 1.045 0.949 0.950 0.800 CB 1.607 21 residues pruned to eliminate duplicates Z: 31 70.625 2.462 1.360 0.943 0.967 0.667 CB 1.591 31 residues pruned to eliminate duplicates Z: 18 23.428 2.315 0.623 0.526 0.882 0.706 CB 1.670 18 residues pruned to eliminate duplicates Z: 50 34.374 2.060 0.914 0.428 0.878 0.551 CB 1.529 50 residues pruned to eliminate duplicates Z: 27 63.641 2.390 1.209 0.935 0.962 0.462 CB 1.713 27 residues pruned to eliminate duplicates Z: 175 157.268 2.473 1.353 0.760 0.971 0.621 CB 1.675 156 residues pruned to eliminate duplicates Z: 27 39.795 2.400 0.823 0.833 0.808 0.577 CB 1.657 27 residues pruned to eliminate duplicates Z: 16 40.738 2.194 1.338 0.906 0.933 0.800 CB 1.562 16 residues pruned to eliminate duplicates Z: 19 33.261 2.243 1.019 0.853 0.944 0.556 CB 1.355 19 residues pruned to eliminate duplicates Z: 20 27.000 2.130 0.913 0.744 0.842 0.368 CB 1.452 20 residues pruned to eliminate duplicates Z: 17 35.640 2.439 0.930 0.922 0.875 0.625 CB 1.521 17 residues pruned to eliminate duplicates Z: 7 6.203 1.270 0.739 0.695 1.000 0.667 CB 0.959 7 residues pruned to eliminate duplicates Z: 28 60.719 2.427 1.270 0.898 1.000 0.556 CB 1.517 28 residues pruned to eliminate duplicates Z: 181 135.645 2.449 1.128 0.685 0.967 0.728 CB 1.693 181 residues pruned to eliminate duplicates Z: 26 65.096 2.444 1.570 0.884 0.880 0.360 CB 1.702 26 residues pruned to eliminate duplicates Z: 90 107.742 2.471 1.231 0.729 0.978 0.742 CB 1.725 90 residues pruned to eliminate duplicates Z: 27 63.747 2.434 1.413 0.911 0.923 0.423 CB 1.635 27 residues pruned to eliminate duplicates Z: 55 83.412 2.388 1.234 0.778 0.944 0.704 CB 1.764 55 residues pruned to eliminate duplicates Z: 25 77.514 2.461 1.648 0.945 0.958 0.750 CB 1.753 27 residues pruned to eliminate duplicates Z: 15 32.259 2.489 0.668 0.614 1.000 0.643 CB 1.864 15 residues pruned to eliminate duplicates Z: 27 36.917 2.240 1.025 0.555 0.962 0.615 CB 1.574 27 residues pruned to eliminate duplicates Z: 19 42.013 2.191 1.270 0.887 1.000 0.611 CB 1.435 19 residues pruned to eliminate duplicates Z: 21 53.037 2.485 1.079 0.899 0.950 0.750 CA 1.727 21 residues pruned to eliminate duplicates Z: 46 61.592 2.414 0.956 0.707 0.956 0.622 CB 1.686 46 residues pruned to eliminate duplicates Z: 7 13.522 1.997 0.526 0.868 1.000 0.833 CA 1.324 7 residues pruned to eliminate duplicates Z: 28 51.543 2.386 1.037 0.821 0.926 0.519 CB 1.668 28 residues pruned to eliminate duplicates Z: 78 74.632 2.418 1.055 0.631 0.948 0.610 CB 1.596 78 residues pruned to eliminate duplicates Z: 198 131.320 2.401 1.188 0.670 0.944 0.635 CB 1.612 198 residues pruned to eliminate duplicates Z: 18 60.230 2.403 1.595 0.880 1.000 0.235 CB 1.697 18 residues pruned to eliminate duplicates Z: 7 2.613 1.866 0.408 0.333 0.500 0.333 N 0.975 Z: 6 8.788 1.711 0.667 0.649 1.000 0.800 CB 1.199 Z: 6 2.892 1.595 0.267 0.286 0.800 0.400 N 1.017 Z: 64 93.299 2.477 1.129 0.829 0.968 0.857 CB 1.733 64 residues pruned to eliminate duplicates Z: 28 57.953 2.354 0.969 0.890 1.000 0.630 CB 1.731 23 residues pruned to eliminate duplicates Z: 88 100.482 2.438 1.060 0.799 0.966 0.770 CB 1.710 88 residues pruned to eliminate duplicates Z: 6 8.657 1.537 0.976 0.749 1.000 0.600 CA 1.021 6 residues pruned to eliminate duplicates Z: 20 60.978 2.336 1.342 0.939 1.000 0.684 CB 1.777 20 residues pruned to eliminate duplicates Z: 27 53.739 2.451 0.991 0.855 0.923 0.577 CB 1.727 27 residues pruned to eliminate duplicates Z: 95 83.565 2.393 1.148 0.641 0.936 0.489 CB 1.570 65 residues pruned to eliminate duplicates Z: 6 7.356 1.782 0.457 0.710 0.800 0.400 CB 1.309 Z: 40 41.444 2.246 1.024 0.486 0.949 0.564 CB 1.561 40 residues pruned to eliminate duplicates Z: 28 52.879 2.384 1.259 0.916 0.926 0.704 CB 1.441 28 residues pruned to eliminate duplicates Z: 6 6.617 1.834 0.849 0.820 1.000 0.600 CB 0.661 6 residues pruned to eliminate duplicates Z: 6 12.363 1.863 0.741 0.863 1.000 1.000 CA 1.250 Z: 43 59.422 2.472 1.087 0.718 0.857 0.548 CB 1.703 43 residues pruned to eliminate duplicates Z: 118 106.143 2.484 0.936 0.748 0.966 0.795 CB 1.693 118 residues pruned to eliminate duplicates Z: 63 74.191 2.489 1.031 0.675 0.935 0.548 CB 1.695 63 residues pruned to eliminate duplicates Z: 79 101.516 2.496 1.337 0.720 0.974 0.692 CB 1.658 79 residues pruned to eliminate duplicates Z: 36 52.071 2.251 0.999 0.722 0.971 0.714 CB 1.648 36 residues pruned to eliminate duplicates Z: 6 14.885 2.027 0.789 0.664 1.000 0.400 CB 1.578 6 residues pruned to eliminate duplicates Z: 10 39.446 2.457 1.174 0.874 1.000 0.889 CB 1.791 10 residues pruned to eliminate duplicates Z: 27 62.728 2.340 1.360 0.865 0.962 0.462 CB 1.697 27 residues pruned to eliminate duplicates Z: 7 6.141 1.346 0.393 0.838 0.833 0.833 CA 1.199 7 residues pruned to eliminate duplicates Z: 138 120.784 2.438 1.187 0.703 0.971 0.679 CB 1.657 150 residues pruned to eliminate duplicates Z: 26 20.237 1.971 0.908 0.352 0.840 0.520 CB 1.504 26 residues pruned to eliminate duplicates Z: 19 28.195 2.209 0.872 0.773 0.889 0.556 CB 1.420 19 residues pruned to eliminate duplicates Z: 8 7.347 1.680 0.693 0.573 0.714 0.429 CA 1.274 8 residues pruned to eliminate duplicates Z: 28 57.754 2.376 1.128 0.812 0.963 0.852 CB 1.741 28 residues pruned to eliminate duplicates Z: 77 78.652 2.450 1.058 0.653 0.947 0.684 CB 1.638 77 residues pruned to eliminate duplicates Z: 13 25.785 2.256 0.926 0.706 0.917 0.583 CB 1.550 13 residues pruned to eliminate duplicates Z: 146 117.860 2.458 1.104 0.695 0.959 0.676 CB 1.653 146 residues pruned to eliminate duplicates Z: 10 5.593 1.576 0.809 0.325 0.667 0.444 CA 1.188 Z: 82 99.201 2.491 1.395 0.667 0.963 0.630 CB 1.644 82 residues pruned to eliminate duplicates Z: 25 61.975 2.406 1.092 0.904 1.000 0.833 CA 1.790 25 residues pruned to eliminate duplicates Z: 28 55.930 2.411 1.059 0.913 1.000 0.778 CB 1.535 28 residues pruned to eliminate duplicates Z: 18 55.610 2.431 1.351 0.947 1.000 0.941 CB 1.630 18 residues pruned to eliminate duplicates Z: 179 154.557 2.484 1.267 0.738 0.989 0.691 CB 1.681 477 residues pruned to eliminate duplicates Z: 179 132.280 2.405 1.251 0.692 0.944 0.562 CB 1.628 179 residues pruned to eliminate duplicates Z: 27 58.247 2.392 1.142 0.921 0.923 0.538 CB 1.700 27 residues pruned to eliminate duplicates Z: 167 137.704 2.428 1.343 0.683 0.952 0.566 CB 1.669 167 residues pruned to eliminate duplicates Z: 12 39.777 2.505 0.949 0.901 1.000 0.909 CB 1.754 Z: 18 32.478 2.259 0.923 0.873 0.941 0.824 CB 1.403 Z: 6 2.321 1.421 0.077 0.357 1.000 0.600 CA 0.791 Z: 21 46.117 2.298 1.335 0.848 0.900 0.600 CB 1.584 11 residues pruned to eliminate duplicates Z: 16 48.289 2.465 1.379 0.911 0.933 0.533 CB 1.613 Z: 30 65.964 2.486 1.125 0.927 1.000 0.828 CB 1.626 Z: 17 19.434 2.217 0.774 0.414 0.875 0.562 CB 1.544 Z: 91 100.820 2.465 1.156 0.743 0.944 0.733 CB 1.703 91 residues pruned to eliminate duplicates Z: 15 26.419 2.175 0.607 0.859 0.929 0.786 CA 1.601 15 residues pruned to eliminate duplicates Z: 18 39.655 2.265 1.156 0.898 1.000 0.882 CB 1.409 18 residues pruned to eliminate duplicates Z: 9 11.081 1.935 0.820 0.387 0.875 0.750 CA 1.433 9 residues pruned to eliminate duplicates Z: 6 3.722 1.189 1.225 0.713 1.000 0.200 CB 0.519 Z: 20 35.102 2.177 0.970 0.832 1.000 0.684 CB 1.410 20 residues pruned to eliminate duplicates Z: 178 132.136 2.420 1.290 0.675 0.932 0.621 CB 1.637 178 residues pruned to eliminate duplicates Z: 13 26.824 2.236 0.602 0.856 1.000 0.917 CB 1.594 Z: 105 110.354 2.452 1.154 0.754 0.952 0.760 CB 1.716 105 residues pruned to eliminate duplicates Z: 177 133.340 2.448 1.234 0.656 0.938 0.636 CB 1.695 98 residues pruned to eliminate duplicates Z: 20 35.692 2.192 1.091 0.809 0.947 0.632 CB 1.441 20 residues pruned to eliminate duplicates Z: 92 96.237 2.450 1.270 0.665 0.956 0.659 CB 1.629 92 residues pruned to eliminate duplicates Z: 10 21.000 2.164 0.807 0.872 0.889 0.778 CB 1.467 15 residues pruned to eliminate duplicates Z: 11 5.552 1.636 0.968 0.148 0.700 0.500 CA 1.201 Z: 168 149.696 2.484 1.318 0.719 0.976 0.587 CB 1.690 172 residues pruned to eliminate duplicates Z: 32 58.661 2.397 0.976 0.916 1.000 0.871 CB 1.571 32 residues pruned to eliminate duplicates Z: 27 68.186 2.485 1.443 0.937 0.962 0.654 CB 1.594 27 residues pruned to eliminate duplicates Z: 9 2.504 1.549 -0.074 0.460 0.750 0.625 CB 0.857 Z: 9 30.583 2.337 1.006 0.905 1.000 0.875 CB 1.642 9 residues pruned to eliminate duplicates Z: 6 11.052 1.804 0.692 0.721 1.000 0.600 CB 1.326 6 residues pruned to eliminate duplicates Z: 18 17.537 2.098 0.876 0.403 0.824 0.529 CB 1.453 18 residues pruned to eliminate duplicates Z: 24 20.235 1.964 0.794 0.397 0.913 0.478 CB 1.461 24 residues pruned to eliminate duplicates Z: 25 28.204 2.099 1.103 0.663 0.958 0.542 CB 1.170 22 residues pruned to eliminate duplicates Z: 18 43.414 2.329 1.150 0.879 1.000 0.824 CB 1.525 18 residues pruned to eliminate duplicates Z: 18 35.458 2.288 0.859 0.847 1.000 0.765 CB 1.500 18 residues pruned to eliminate duplicates Z: 32 47.982 2.409 1.031 0.608 0.935 0.645 CB 1.700 32 residues pruned to eliminate duplicates Z: 18 37.128 2.288 1.048 0.832 0.941 0.529 CB 1.533 18 residues pruned to eliminate duplicates Z: 10 28.475 2.478 0.836 0.775 1.000 0.889 CA 1.636 10 residues pruned to eliminate duplicates Z: 32 65.402 2.443 1.191 0.948 0.968 0.742 CB 1.566 32 residues pruned to eliminate duplicates Z: 6 3.547 1.423 0.371 0.433 0.800 0.600 N 1.088 Z: 8 7.670 1.568 0.605 0.715 0.857 0.714 CB 1.107 8 residues pruned to eliminate duplicates Z: 18 31.582 2.180 1.079 0.849 0.941 0.353 CB 1.330 18 residues pruned to eliminate duplicates Z: 57 73.499 2.371 1.209 0.741 0.911 0.714 CB 1.659 57 residues pruned to eliminate duplicates Z: 89 99.871 2.437 1.403 0.680 0.955 0.636 CB 1.614 96 residues pruned to eliminate duplicates Z: 87 86.850 2.384 1.161 0.637 0.953 0.640 CB 1.678 87 residues pruned to eliminate duplicates Z: 10 10.332 1.941 0.480 0.445 1.000 0.444 CB 1.269 9 residues pruned to eliminate duplicates Z: 96 98.582 2.455 1.082 0.760 0.958 0.768 CB 1.640 96 residues pruned to eliminate duplicates Z: 144 109.342 2.373 1.078 0.673 0.958 0.706 CB 1.650 144 residues pruned to eliminate duplicates Z: 9 8.388 1.385 1.113 0.771 0.875 0.625 CA 0.911 Z: 26 57.578 2.388 0.939 0.909 1.000 0.880 CA 1.765 26 residues pruned to eliminate duplicates Z: 136 132.960 2.481 1.358 0.731 0.978 0.548 CB 1.625 136 residues pruned to eliminate duplicates Z: 7 4.679 1.479 0.297 0.716 0.833 0.333 CA 0.983 Z: 163 152.897 2.474 1.378 0.732 0.988 0.623 CB 1.678 163 residues pruned to eliminate duplicates Z: 16 30.709 2.423 1.154 0.558 0.867 0.600 CB 1.657 Z: 68 66.568 2.368 0.971 0.662 0.940 0.731 CB 1.594 68 residues pruned to eliminate duplicates Z: 39 70.839 2.438 1.313 0.648 1.000 0.737 CB 1.775 39 residues pruned to eliminate duplicates Z: 47 64.855 2.445 1.108 0.719 0.935 0.674 CB 1.628 47 residues pruned to eliminate duplicates Z: 179 140.807 2.476 1.249 0.664 0.961 0.590 CB 1.695 151 residues pruned to eliminate duplicates Z: 29 42.332 2.213 0.896 0.904 0.893 0.857 CB 1.521 29 residues pruned to eliminate duplicates Z: 127 122.595 2.466 1.323 0.691 0.984 0.563 CB 1.627 127 residues pruned to eliminate duplicates Z: 15 19.752 2.039 0.961 0.426 0.929 0.429 CB 1.536 15 residues pruned to eliminate duplicates Z: 17 70.695 2.471 1.769 0.911 1.000 0.500 CB 1.831 17 residues pruned to eliminate duplicates Z: 28 51.540 2.345 1.038 0.839 0.926 0.778 CB 1.674 28 residues pruned to eliminate duplicates Z: 8 4.949 1.743 0.533 0.344 0.714 0.429 CA 1.161 Z: 75 66.304 2.357 0.951 0.550 0.932 0.581 CB 1.713 75 residues pruned to eliminate duplicates Z: 22 50.647 2.373 1.162 0.861 0.952 0.667 CB 1.662 22 residues pruned to eliminate duplicates Z: 22 18.039 1.975 0.754 0.484 0.810 0.619 CB 1.427 22 residues pruned to eliminate duplicates Z: 86 112.175 2.520 1.312 0.800 0.953 0.776 CB 1.685 86 residues pruned to eliminate duplicates Z: 7 14.398 1.889 0.700 0.859 1.000 0.500 CB 1.347 Z: 46 82.293 2.407 1.440 0.756 0.978 0.511 CB 1.701 46 residues pruned to eliminate duplicates Z: 130 123.019 2.481 1.261 0.669 0.961 0.496 CB 1.718 130 residues pruned to eliminate duplicates Z: 18 40.612 2.223 1.312 0.878 1.000 0.529 CB 1.390 21 residues pruned to eliminate duplicates Z: 62 79.489 2.411 1.132 0.716 0.967 0.689 CB 1.684 62 residues pruned to eliminate duplicates Z: 18 42.722 2.294 1.249 0.864 1.000 0.765 CB 1.472 18 residues pruned to eliminate duplicates Z: 138 132.896 2.454 1.272 0.771 0.964 0.708 CB 1.663 138 residues pruned to eliminate duplicates Z: 139 116.407 2.470 1.120 0.712 0.942 0.710 CB 1.658 139 residues pruned to eliminate duplicates Z: 95 91.507 2.405 1.208 0.639 0.979 0.553 CB 1.594 95 residues pruned to eliminate duplicates Z: 51 70.989 2.489 1.140 0.703 0.940 0.680 CB 1.667 51 residues pruned to eliminate duplicates 6 0.713 1.008 0.182 0.604 0.800 0.400 O 0.303 ? Z: 22 42.026 2.358 0.978 0.875 0.905 0.810 CB 1.581 22 residues pruned to eliminate duplicates Z: 7 3.480 1.452 0.589 0.253 0.833 0.500 CB 0.981 Z: 6 4.308 1.692 0.562 0.353 0.600 0.400 CA 1.424 Z: 9 6.263 1.769 0.486 0.420 1.000 0.500 CA 0.915 Z: 130 126.485 2.479 1.424 0.676 0.953 0.566 CB 1.652 130 residues pruned to eliminate duplicates Z: 64 87.055 2.420 1.261 0.715 0.952 0.698 CB 1.733 71 residues pruned to eliminate duplicates Z: 56 71.847 2.457 1.042 0.705 0.945 0.709 CB 1.695 56 residues pruned to eliminate duplicates Z: 7 13.694 1.974 0.898 0.779 1.000 0.667 CA 1.167 7 residues pruned to eliminate duplicates Z: 117 122.789 2.465 1.333 0.706 0.991 0.603 CB 1.659 117 residues pruned to eliminate duplicates Z: 50 73.822 2.509 1.099 0.739 0.959 0.755 CB 1.684 50 residues pruned to eliminate duplicates Z: 8 18.193 1.960 1.061 0.809 1.000 1.000 CA 1.300 8 residues pruned to eliminate duplicates 424 residues left after pruning, divided into chains as follows: A: 180 B: 46 C: 180 D: 18 CC for partial structure against native data = 42.79 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.802, Connect. = 0.762 for dens.mod. cycle 1 = 0.300, Contrast = 0.939, Connect. = 0.797 for dens.mod. cycle 2 = 0.300, Contrast = 1.152, Connect. = 0.824 for dens.mod. cycle 3 = 0.300, Contrast = 1.205, Connect. = 0.827 for dens.mod. cycle 4 = 0.300, Contrast = 1.247, Connect. = 0.829 for dens.mod. cycle 5 = 0.300, Contrast = 1.267, Connect. = 0.831 for dens.mod. cycle 6 = 0.300, Contrast = 1.284, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.292, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.298, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 1.300, Connect. = 0.835 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3009 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 612 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 28.409 2.545 0.570 0.888 0.889 0.889 CB 1.920 B: 22 62.207 2.525 1.125 0.889 1.000 0.762 CA 1.820 C: 11 33.123 2.320 1.314 0.880 1.000 0.600 CB 1.414 D: 17 65.208 2.526 1.472 0.925 1.000 0.812 CB 1.833 E: 22 69.273 2.525 1.352 0.869 1.000 0.810 CA 1.858 22 residues pruned to eliminate duplicates F: 32 75.252 2.515 1.255 0.908 0.968 0.710 CB 1.749 G: 22 59.843 2.550 1.118 0.886 0.952 0.714 CA 1.832 H: 11 35.908 2.394 1.263 0.910 1.000 0.800 CB 1.487 11 residues pruned to eliminate duplicates I: 28 60.823 2.466 0.954 0.843 0.963 0.778 CA 1.878 J: 27 65.589 2.462 1.148 0.879 0.962 0.731 CB 1.835 K: 26 77.850 2.513 1.299 0.915 1.000 0.720 CB 1.905 27 residues pruned to eliminate duplicates L: 22 62.385 2.502 1.118 0.881 1.000 0.762 CA 1.860 22 residues pruned to eliminate duplicates M: 22 61.400 2.527 1.216 0.875 1.000 0.714 CA 1.741 22 residues pruned to eliminate duplicates N: 10 22.455 2.340 1.111 0.857 0.889 0.889 CB 1.256 9 residues pruned to eliminate duplicates O: 31 67.207 2.516 1.052 0.918 0.967 0.700 CB 1.734 32 residues pruned to eliminate duplicates P: 26 74.057 2.467 1.282 0.932 1.000 0.520 CB 1.837 27 residues pruned to eliminate duplicates Q: 18 59.922 2.530 1.137 0.924 1.000 0.941 CB 1.889 18 residues pruned to eliminate duplicates R: 25 83.831 2.586 1.390 0.927 1.000 0.750 CB 1.940 25 residues pruned to eliminate duplicates S: 22 50.308 2.496 0.897 0.897 1.000 0.905 CA 1.659 22 residues pruned to eliminate duplicates T: 22 64.799 2.536 1.237 0.874 1.000 0.619 CB 1.814 22 residues pruned to eliminate duplicates U: 28 56.987 2.476 0.934 0.833 0.926 0.667 CA 1.856 28 residues pruned to eliminate duplicates V: 17 58.908 2.526 1.223 0.923 1.000 0.812 CB 1.844 17 residues pruned to eliminate duplicates W: 28 53.943 2.446 0.859 0.817 0.963 0.741 CA 1.800 28 residues pruned to eliminate duplicates X: 11 35.806 2.494 0.731 0.915 1.000 0.900 CB 1.854 11 residues pruned to eliminate duplicates Y: 32 60.040 2.483 0.981 0.885 0.935 0.774 CB 1.693 32 residues pruned to eliminate duplicates Z: 17 66.601 2.491 1.518 0.913 1.000 0.750 CB 1.879 Z: 30 64.208 2.546 1.092 0.930 0.931 0.862 CB 1.681 Z: 18 66.408 2.524 1.503 0.881 1.000 0.706 CB 1.845 17 residues pruned to eliminate duplicates Z: 15 53.519 2.572 1.139 0.927 1.000 0.929 CB 1.823 Z: 14 53.603 2.586 1.141 0.949 1.000 0.769 CB 1.852 14 residues pruned to eliminate duplicates Z: 22 62.483 2.530 1.107 0.858 1.000 0.810 CA 1.883 22 residues pruned to eliminate duplicates Z: 16 60.834 2.685 1.249 0.926 1.000 0.867 CB 1.824 17 residues pruned to eliminate duplicates Z: 11 21.233 2.423 0.453 0.837 0.900 0.800 CB 1.586 Z: 22 57.574 2.526 1.048 0.885 0.952 0.810 CB 1.841 22 residues pruned to eliminate duplicates Z: 13 48.371 2.519 1.198 0.942 1.000 0.583 CB 1.750 12 residues pruned to eliminate duplicates Z: 25 70.480 2.552 1.178 0.929 0.958 0.792 CA 1.890 25 residues pruned to eliminate duplicates Z: 11 34.400 2.455 0.804 0.902 1.000 0.800 CB 1.753 11 residues pruned to eliminate duplicates Z: 27 51.944 2.477 0.870 0.903 0.962 0.846 CB 1.630 27 residues pruned to eliminate duplicates Z: 11 29.299 2.399 0.820 0.898 1.000 0.900 CB 1.518 11 residues pruned to eliminate duplicates Z: 22 64.738 2.495 1.232 0.872 1.000 0.667 CA 1.850 22 residues pruned to eliminate duplicates Z: 22 62.548 2.547 1.112 0.879 1.000 0.952 CB 1.839 22 residues pruned to eliminate duplicates Z: 22 47.239 2.458 0.980 0.857 0.905 0.524 CA 1.726 22 residues pruned to eliminate duplicates Z: 33 64.207 2.432 1.184 0.893 0.969 0.719 CB 1.583 32 residues pruned to eliminate duplicates Z: 25 69.653 2.596 1.030 0.928 0.958 0.917 CB 1.972 25 residues pruned to eliminate duplicates Z: 25 81.507 2.553 1.507 0.912 0.958 0.542 CB 1.920 25 residues pruned to eliminate duplicates Z: 26 74.238 2.515 1.287 0.920 0.960 0.720 CB 1.895 26 residues pruned to eliminate duplicates Z: 18 31.879 2.220 0.680 0.835 0.941 0.765 CB 1.650 18 residues pruned to eliminate duplicates Z: 17 57.465 2.504 1.212 0.899 1.000 0.875 CB 1.853 17 residues pruned to eliminate duplicates Z: 22 64.284 2.533 1.233 0.878 1.000 0.762 CB 1.800 22 residues pruned to eliminate duplicates Z: 26 64.522 2.382 1.298 0.903 0.960 0.800 CA 1.749 Z: 18 65.882 2.491 1.794 0.885 1.000 0.588 CB 1.658 18 residues pruned to eliminate duplicates Z: 27 42.550 2.426 0.724 0.802 0.885 0.654 CA 1.733 27 residues pruned to eliminate duplicates Z: 29 64.107 2.544 1.129 0.952 0.964 0.643 CB 1.597 29 residues pruned to eliminate duplicates Z: 17 47.863 2.448 1.061 0.944 1.000 0.875 CB 1.642 17 residues pruned to eliminate duplicates Z: 29 46.515 2.451 0.512 0.947 1.000 0.964 CB 1.639 29 residues pruned to eliminate duplicates Z: 31 66.831 2.521 1.123 0.927 0.967 0.900 CB 1.653 30 residues pruned to eliminate duplicates Z: 16 58.051 2.684 1.086 0.942 1.000 1.000 CB 1.857 16 residues pruned to eliminate duplicates Z: 17 69.787 2.545 1.654 0.887 1.000 0.562 CB 1.862 17 residues pruned to eliminate duplicates Z: 18 52.232 2.430 1.209 0.886 0.941 0.882 CB 1.809 18 residues pruned to eliminate duplicates Z: 26 58.362 2.551 0.909 0.885 0.960 0.760 CB 1.802 Z: 26 85.730 2.480 1.489 0.946 1.000 0.600 CB 1.921 26 residues pruned to eliminate duplicates Z: 22 51.044 2.490 0.961 0.863 1.000 0.857 CA 1.673 22 residues pruned to eliminate duplicates Z: 183 145.533 2.543 1.052 0.694 0.962 0.698 CB 1.800 137 residues pruned to eliminate duplicates Z: 25 65.868 2.576 1.214 0.905 0.875 0.583 CB 1.918 25 residues pruned to eliminate duplicates Z: 31 80.277 2.503 1.554 0.921 0.967 0.567 CB 1.669 31 residues pruned to eliminate duplicates Z: 22 41.936 2.401 1.216 0.821 0.952 0.429 CB 1.368 22 residues pruned to eliminate duplicates Z: 19 27.958 2.278 0.723 0.797 0.889 0.667 CB 1.457 Z: 31 64.178 2.480 1.091 0.906 1.000 0.733 CB 1.607 31 residues pruned to eliminate duplicates Z: 17 55.613 2.520 1.077 0.921 1.000 0.812 CB 1.870 17 residues pruned to eliminate duplicates Z: 25 86.276 2.556 1.501 0.939 1.000 0.625 CB 1.914 25 residues pruned to eliminate duplicates Z: 18 56.309 2.536 1.307 0.890 0.941 0.588 CB 1.784 18 residues pruned to eliminate duplicates Z: 26 73.656 2.409 1.442 0.908 0.960 0.560 CB 1.853 27 residues pruned to eliminate duplicates Z: 21 51.668 2.598 0.970 0.943 0.950 0.900 CB 1.647 21 residues pruned to eliminate duplicates Z: 29 54.303 2.393 1.086 0.822 0.893 0.571 CB 1.742 28 residues pruned to eliminate duplicates Z: 25 60.725 2.449 0.994 0.937 0.958 0.917 CA 1.843 25 residues pruned to eliminate duplicates Z: 28 66.567 2.394 1.263 0.923 0.963 0.593 CB 1.726 Z: 17 53.524 2.501 1.088 0.945 1.000 0.938 CB 1.774 17 residues pruned to eliminate duplicates Z: 28 61.160 2.449 1.125 0.831 0.926 0.667 CA 1.835 28 residues pruned to eliminate duplicates Z: 9 26.574 2.449 0.854 0.839 1.000 0.750 CB 1.546 9 residues pruned to eliminate duplicates Z: 28 64.746 2.493 1.467 0.940 0.926 0.704 CB 1.520 28 residues pruned to eliminate duplicates Z: 24 81.226 2.634 1.426 0.948 0.957 0.609 CB 1.914 24 residues pruned to eliminate duplicates Z: 32 53.528 2.397 0.715 0.936 0.968 0.871 CB 1.683 32 residues pruned to eliminate duplicates Z: 30 73.706 2.546 1.315 0.941 0.931 0.621 CB 1.732 30 residues pruned to eliminate duplicates Z: 18 48.094 2.525 0.876 0.948 1.000 0.882 CB 1.701 18 residues pruned to eliminate duplicates Z: 11 35.264 2.531 0.893 0.808 1.000 0.700 CA 1.780 Z: 13 39.683 2.611 1.002 0.921 1.000 0.750 CB 1.542 13 residues pruned to eliminate duplicates Z: 17 61.222 2.557 1.405 0.945 1.000 0.938 CB 1.722 17 residues pruned to eliminate duplicates Z: 30 72.072 2.466 1.577 0.905 0.966 0.448 CB 1.552 30 residues pruned to eliminate duplicates Z: 21 61.915 2.565 1.148 0.867 1.000 0.700 CA 1.838 21 residues pruned to eliminate duplicates Z: 22 66.469 2.516 1.280 0.892 1.000 0.714 CB 1.817 22 residues pruned to eliminate duplicates Z: 28 57.807 2.359 1.130 0.902 0.926 0.481 CB 1.706 28 residues pruned to eliminate duplicates Z: 19 72.093 2.452 1.620 0.913 1.000 0.778 CB 1.873 18 residues pruned to eliminate duplicates Z: 12 41.970 2.523 1.034 0.919 1.000 1.000 CA 1.738 12 residues pruned to eliminate duplicates Z: 18 50.277 2.439 1.198 0.944 1.000 0.882 CB 1.575 18 residues pruned to eliminate duplicates Z: 23 49.138 2.527 0.980 0.896 0.909 0.636 CB 1.650 23 residues pruned to eliminate duplicates Z: 28 53.555 2.370 0.948 0.808 0.926 0.630 CA 1.843 28 residues pruned to eliminate duplicates Z: 17 38.964 2.259 1.170 0.782 0.938 0.562 CB 1.654 17 residues pruned to eliminate duplicates Z: 12 27.891 2.368 0.735 0.803 1.000 0.727 CA 1.572 12 residues pruned to eliminate duplicates Z: 22 50.116 2.518 0.908 0.836 0.952 0.810 CB 1.788 22 residues pruned to eliminate duplicates Z: 29 45.009 2.435 0.745 0.806 0.893 0.536 CB 1.716 29 residues pruned to eliminate duplicates Z: 15 48.921 2.608 0.958 0.830 1.000 0.714 CA 1.925 15 residues pruned to eliminate duplicates Z: 22 59.614 2.540 1.283 0.844 0.905 0.667 CA 1.845 22 residues pruned to eliminate duplicates Z: 50 56.631 2.430 1.110 0.548 0.898 0.531 CB 1.676 50 residues pruned to eliminate duplicates Z: 24 61.763 2.472 1.340 0.918 0.913 0.739 CB 1.719 24 residues pruned to eliminate duplicates Z: 181 162.424 2.583 1.188 0.709 0.989 0.583 CB 1.792 141 residues pruned to eliminate duplicates Z: 22 57.397 2.519 1.090 0.850 1.000 0.619 CB 1.762 22 residues pruned to eliminate duplicates Z: 15 48.256 2.573 1.166 0.914 0.929 0.929 CB 1.763 15 residues pruned to eliminate duplicates Z: 13 49.528 2.589 1.161 0.943 1.000 0.750 CB 1.771 13 residues pruned to eliminate duplicates Z: 31 81.288 2.535 1.587 0.894 0.967 0.567 CB 1.679 31 residues pruned to eliminate duplicates Z: 28 65.073 2.529 1.100 0.929 1.000 0.704 CB 1.650 28 residues pruned to eliminate duplicates Z: 31 70.313 2.505 1.243 0.951 0.967 0.767 CB 1.629 31 residues pruned to eliminate duplicates Z: 21 56.020 2.492 1.080 0.829 1.000 0.600 CB 1.819 21 residues pruned to eliminate duplicates Z: 23 51.127 2.564 0.881 0.941 0.955 0.864 CB 1.643 23 residues pruned to eliminate duplicates Z: 30 60.238 2.542 0.966 0.916 0.931 0.759 CB 1.698 30 residues pruned to eliminate duplicates Z: 31 60.263 2.454 0.950 0.933 1.000 0.833 CB 1.604 31 residues pruned to eliminate duplicates Z: 26 68.095 2.407 1.269 0.924 0.960 0.560 CA 1.824 26 residues pruned to eliminate duplicates Z: 19 37.445 2.228 1.149 0.862 0.944 0.444 CB 1.433 20 residues pruned to eliminate duplicates Z: 18 44.579 2.341 1.212 0.867 1.000 0.294 CB 1.528 18 residues pruned to eliminate duplicates Z: 28 48.560 2.449 0.883 0.822 0.815 0.519 CB 1.881 28 residues pruned to eliminate duplicates Z: 32 63.058 2.485 1.096 0.946 0.968 0.710 CB 1.554 32 residues pruned to eliminate duplicates Z: 28 47.496 2.411 0.773 0.879 0.889 0.704 CB 1.744 27 residues pruned to eliminate duplicates Z: 32 56.443 2.459 0.792 0.918 0.968 0.806 CB 1.677 32 residues pruned to eliminate duplicates Z: 11 34.087 2.534 0.845 0.792 1.000 0.600 CA 1.785 11 residues pruned to eliminate duplicates Z: 28 52.863 2.473 0.892 0.784 0.926 0.704 CA 1.828 28 residues pruned to eliminate duplicates Z: 28 55.637 2.539 0.710 0.960 1.000 0.926 CB 1.688 28 residues pruned to eliminate duplicates Z: 18 54.759 2.550 1.015 0.890 1.000 0.824 CB 1.859 18 residues pruned to eliminate duplicates Z: 27 60.095 2.489 0.945 0.845 0.962 0.500 CB 1.883 27 residues pruned to eliminate duplicates Z: 25 64.303 2.568 0.964 0.929 0.958 0.917 CA 1.900 25 residues pruned to eliminate duplicates Z: 180 141.432 2.523 1.037 0.696 0.972 0.721 CB 1.768 149 residues pruned to eliminate duplicates Z: 31 69.851 2.484 1.435 0.916 0.933 0.400 CB 1.595 31 residues pruned to eliminate duplicates Z: 22 69.053 2.541 1.356 0.857 1.000 0.667 CA 1.855 22 residues pruned to eliminate duplicates Z: 18 30.773 2.275 0.964 0.777 0.882 0.765 CB 1.482 18 residues pruned to eliminate duplicates Z: 28 52.900 2.465 0.993 0.879 0.889 0.481 CB 1.690 28 residues pruned to eliminate duplicates Z: 21 58.816 2.548 1.139 0.869 1.000 0.750 CA 1.762 21 residues pruned to eliminate duplicates Z: 23 63.928 2.445 1.341 0.920 0.909 0.727 CB 1.845 23 residues pruned to eliminate duplicates Z: 27 69.165 2.555 1.347 0.916 0.962 0.654 CB 1.661 27 residues pruned to eliminate duplicates Z: 27 58.964 2.434 0.822 0.934 1.000 0.808 CB 1.817 27 residues pruned to eliminate duplicates Z: 28 66.963 2.478 1.319 0.929 0.963 0.778 CB 1.630 28 residues pruned to eliminate duplicates Z: 25 71.544 2.414 1.384 0.944 0.958 0.500 CB 1.833 25 residues pruned to eliminate duplicates Z: 25 80.661 2.571 1.368 0.946 0.958 0.417 CB 1.952 25 residues pruned to eliminate duplicates Z: 21 58.988 2.486 1.510 0.935 0.950 0.550 CB 1.551 21 residues pruned to eliminate duplicates Z: 11 39.566 2.427 1.413 0.897 1.000 0.700 CB 1.530 11 residues pruned to eliminate duplicates Z: 25 68.167 2.585 1.031 0.956 0.958 0.875 CA 1.900 25 residues pruned to eliminate duplicates Z: 28 67.854 2.379 1.383 0.919 0.963 0.667 CB 1.686 28 residues pruned to eliminate duplicates Z: 22 60.447 2.497 1.367 0.822 0.952 0.667 CB 1.773 22 residues pruned to eliminate duplicates Z: 28 59.329 2.403 1.207 0.950 0.889 0.519 CB 1.671 28 residues pruned to eliminate duplicates Z: 11 34.337 2.442 0.897 0.827 1.000 0.900 CA 1.766 11 residues pruned to eliminate duplicates Z: 28 57.128 2.483 0.891 0.843 0.963 0.852 CA 1.811 28 residues pruned to eliminate duplicates Z: 11 32.321 2.524 0.814 0.790 1.000 0.800 CA 1.731 11 residues pruned to eliminate duplicates Z: 26 68.653 2.598 1.363 0.959 0.960 0.480 CB 1.597 26 residues pruned to eliminate duplicates Z: 31 77.030 2.518 1.563 0.943 0.933 0.533 CB 1.618 31 residues pruned to eliminate duplicates Z: 182 141.254 2.547 1.041 0.675 0.956 0.630 CB 1.799 81 residues pruned to eliminate duplicates Z: 30 74.360 2.588 1.343 0.922 0.966 0.517 CB 1.658 30 residues pruned to eliminate duplicates Z: 13 37.039 2.398 1.235 0.902 0.917 0.417 CB 1.553 13 residues pruned to eliminate duplicates Z: 19 62.213 2.488 1.389 0.918 1.000 0.833 CB 1.740 17 residues pruned to eliminate duplicates Z: 22 56.383 2.452 1.137 0.841 1.000 0.619 CA 1.751 22 residues pruned to eliminate duplicates Z: 29 57.874 2.305 1.125 0.869 0.929 0.679 CA 1.757 29 residues pruned to eliminate duplicates Z: 19 42.795 2.301 1.016 0.877 1.000 0.667 CB 1.579 Z: 28 69.625 2.391 1.237 0.938 1.000 0.741 CB 1.742 28 residues pruned to eliminate duplicates Z: 27 62.514 2.388 1.479 0.889 1.000 0.462 CB 1.490 27 residues pruned to eliminate duplicates Z: 25 70.445 2.475 1.451 0.913 0.917 0.708 CB 1.830 25 residues pruned to eliminate duplicates Z: 27 50.783 2.480 0.848 0.847 0.885 0.654 CB 1.823 27 residues pruned to eliminate duplicates Z: 18 55.419 2.483 1.295 0.899 0.941 0.706 CB 1.791 18 residues pruned to eliminate duplicates Z: 27 74.349 2.526 1.226 0.918 1.000 0.769 CB 1.829 27 residues pruned to eliminate duplicates Z: 27 66.448 2.546 1.177 0.943 0.962 0.846 CB 1.695 27 residues pruned to eliminate duplicates Z: 25 78.211 2.430 1.528 0.914 1.000 0.417 CB 1.838 25 residues pruned to eliminate duplicates Z: 25 69.710 2.599 0.954 0.938 1.000 0.917 CA 1.948 25 residues pruned to eliminate duplicates Z: 25 58.195 2.422 0.926 0.934 0.958 0.833 CA 1.853 25 residues pruned to eliminate duplicates Z: 19 56.384 2.458 1.286 0.919 0.944 0.778 CB 1.764 19 residues pruned to eliminate duplicates Z: 177 138.891 2.556 1.049 0.668 0.955 0.688 CB 1.792 103 residues pruned to eliminate duplicates Z: 11 17.332 2.191 0.292 0.862 1.000 1.000 CB 1.421 Z: 28 63.501 2.365 1.142 0.837 1.000 0.667 CA 1.804 28 residues pruned to eliminate duplicates Z: 18 41.224 2.350 1.180 0.860 0.941 0.706 CB 1.525 18 residues pruned to eliminate duplicates Z: 20 36.747 2.191 0.924 0.884 1.000 0.737 CB 1.445 20 residues pruned to eliminate duplicates Z: 27 56.286 2.344 1.152 0.913 0.962 0.769 CB 1.611 27 residues pruned to eliminate duplicates Z: 7 8.338 1.777 0.365 0.862 1.000 0.833 CA 1.031 7 residues pruned to eliminate duplicates Z: 15 32.170 2.189 0.618 0.898 1.000 0.571 CB 1.736 15 residues pruned to eliminate duplicates Z: 36 56.668 2.486 1.030 0.638 0.971 0.657 CB 1.718 36 residues pruned to eliminate duplicates Z: 20 32.658 2.197 0.752 0.866 1.000 0.789 CB 1.424 20 residues pruned to eliminate duplicates Z: 25 85.890 2.570 1.561 0.948 0.958 0.667 CB 1.919 25 residues pruned to eliminate duplicates Z: 14 39.207 2.479 0.791 0.936 0.923 0.769 CB 1.848 14 residues pruned to eliminate duplicates Z: 28 63.897 2.378 1.100 0.933 1.000 0.704 CB 1.719 28 residues pruned to eliminate duplicates Z: 25 44.251 2.359 0.963 0.896 0.833 0.375 CB 1.677 25 residues pruned to eliminate duplicates Z: 24 81.696 2.504 1.601 0.948 0.957 0.696 CB 1.889 24 residues pruned to eliminate duplicates Z: 21 61.841 2.557 1.573 0.952 0.900 0.450 CB 1.608 21 residues pruned to eliminate duplicates Z: 18 36.213 2.340 0.856 0.880 1.000 0.765 CB 1.466 18 residues pruned to eliminate duplicates Z: 26 51.819 2.461 0.962 0.879 0.880 0.760 CA 1.769 26 residues pruned to eliminate duplicates Z: 22 54.895 2.555 1.083 0.932 0.952 0.762 CB 1.650 22 residues pruned to eliminate duplicates Z: 32 67.889 2.476 1.313 0.947 0.935 0.548 CB 1.573 32 residues pruned to eliminate duplicates Z: 24 59.021 2.433 1.014 0.937 0.957 0.957 CA 1.827 24 residues pruned to eliminate duplicates Z: 28 60.613 2.487 0.995 0.819 0.963 0.778 CB 1.850 28 residues pruned to eliminate duplicates Z: 21 65.974 2.433 1.670 0.909 1.000 0.550 CB 1.612 21 residues pruned to eliminate duplicates Z: 7 12.704 1.945 0.583 0.785 1.000 0.833 CA 1.311 7 residues pruned to eliminate duplicates Z: 28 68.298 2.511 1.354 0.933 0.963 0.481 CB 1.612 28 residues pruned to eliminate duplicates Z: 26 63.328 2.392 1.315 0.931 0.920 0.520 CB 1.737 26 residues pruned to eliminate duplicates Z: 28 63.586 2.432 1.017 0.868 1.000 0.852 CB 1.823 28 residues pruned to eliminate duplicates Z: 18 55.832 2.493 1.405 0.885 1.000 0.765 CB 1.631 18 residues pruned to eliminate duplicates Z: 184 146.740 2.516 1.194 0.707 0.945 0.574 CB 1.722 144 residues pruned to eliminate duplicates Z: 11 32.005 2.527 1.003 0.906 0.900 0.500 CB 1.580 11 residues pruned to eliminate duplicates Z: 22 61.165 2.516 1.182 0.882 1.000 0.905 CA 1.759 22 residues pruned to eliminate duplicates Z: 29 57.705 2.310 1.198 0.908 0.929 0.571 CB 1.642 29 residues pruned to eliminate duplicates Z: 18 55.974 2.454 1.153 0.917 1.000 0.882 CB 1.814 18 residues pruned to eliminate duplicates Z: 27 58.179 2.318 1.029 0.909 1.000 0.808 CA 1.723 27 residues pruned to eliminate duplicates Z: 28 58.532 2.461 1.066 0.840 0.926 0.593 CB 1.787 28 residues pruned to eliminate duplicates Z: 26 60.928 2.359 1.215 0.936 0.960 0.480 CB 1.691 26 residues pruned to eliminate duplicates Z: 15 33.858 2.384 0.993 0.822 0.857 0.643 CB 1.680 15 residues pruned to eliminate duplicates Z: 19 33.970 2.369 0.779 0.830 0.944 0.722 CB 1.513 19 residues pruned to eliminate duplicates Z: 27 76.092 2.551 1.431 0.921 1.000 0.577 CB 1.693 27 residues pruned to eliminate duplicates Z: 24 80.541 2.484 1.522 0.954 1.000 0.522 CB 1.844 24 residues pruned to eliminate duplicates Z: 18 57.105 2.510 1.070 0.901 1.000 0.941 CB 1.902 18 residues pruned to eliminate duplicates Z: 28 63.003 2.468 0.935 0.934 1.000 0.926 CB 1.770 28 residues pruned to eliminate duplicates Z: 12 26.890 2.216 0.888 0.853 1.000 1.000 CB 1.433 11 residues pruned to eliminate duplicates Z: 29 72.810 2.539 1.340 0.965 1.000 0.429 CB 1.581 29 residues pruned to eliminate duplicates Z: 16 40.884 2.477 1.052 0.787 0.933 0.600 CB 1.729 16 residues pruned to eliminate duplicates Z: 26 64.991 2.370 1.220 0.925 1.000 0.800 CA 1.733 26 residues pruned to eliminate duplicates Z: 22 60.400 2.528 1.061 0.876 1.000 0.810 CB 1.839 22 residues pruned to eliminate duplicates Z: 26 63.197 2.469 0.952 0.913 1.000 0.960 CB 1.855 26 residues pruned to eliminate duplicates Z: 24 63.907 2.467 1.093 0.944 0.957 0.826 CB 1.867 24 residues pruned to eliminate duplicates Z: 15 46.284 2.594 1.229 0.818 0.929 0.786 CB 1.748 15 residues pruned to eliminate duplicates Z: 22 54.986 2.474 1.115 0.876 0.905 0.762 CA 1.841 22 residues pruned to eliminate duplicates Z: 15 33.772 2.594 0.747 0.756 0.857 0.643 CB 1.850 15 residues pruned to eliminate duplicates Z: 19 35.624 2.261 0.882 0.866 1.000 0.778 CB 1.444 19 residues pruned to eliminate duplicates Z: 27 60.442 2.417 1.241 0.908 0.885 0.538 CB 1.757 27 residues pruned to eliminate duplicates Z: 18 63.954 2.431 1.490 0.892 1.000 0.706 CB 1.842 18 residues pruned to eliminate duplicates Z: 11 22.590 2.442 0.536 0.840 0.900 0.400 CB 1.580 11 residues pruned to eliminate duplicates Z: 22 61.305 2.510 1.275 0.847 0.952 0.810 CA 1.826 22 residues pruned to eliminate duplicates Z: 28 66.441 2.451 1.314 0.926 1.000 0.741 CB 1.581 28 residues pruned to eliminate duplicates Z: 27 71.075 2.542 1.180 0.945 1.000 0.846 CB 1.741 27 residues pruned to eliminate duplicates Z: 8 6.975 1.655 0.751 0.848 0.857 0.714 CB 0.788 8 residues pruned to eliminate duplicates Z: 231 167.056 2.509 1.153 0.718 0.970 0.617 CB 1.727 230 residues pruned to eliminate duplicates Z: 16 36.358 2.372 1.340 0.880 0.733 0.467 CB 1.671 16 residues pruned to eliminate duplicates Z: 27 63.914 2.438 1.017 0.917 1.000 0.846 CA 1.798 27 residues pruned to eliminate duplicates Z: 14 31.165 2.443 0.783 0.902 0.923 0.538 CB 1.533 14 residues pruned to eliminate duplicates Z: 22 48.909 2.406 0.946 0.854 0.952 0.762 CA 1.768 22 residues pruned to eliminate duplicates Z: 27 65.180 2.528 1.016 0.852 1.000 0.731 CB 1.855 27 residues pruned to eliminate duplicates Z: 27 68.765 2.468 1.171 0.935 0.962 0.654 CB 1.823 27 residues pruned to eliminate duplicates Z: 70 82.224 2.529 1.103 0.620 0.942 0.580 CB 1.763 70 residues pruned to eliminate duplicates Z: 31 65.550 2.479 1.141 0.935 1.000 0.767 CB 1.572 31 residues pruned to eliminate duplicates Z: 16 32.457 2.346 0.515 0.876 0.933 0.533 CB 1.836 16 residues pruned to eliminate duplicates Z: 18 67.188 2.552 1.542 0.925 1.000 0.706 CB 1.763 18 residues pruned to eliminate duplicates Z: 10 37.946 2.627 0.876 0.815 1.000 0.667 CB 1.952 10 residues pruned to eliminate duplicates Z: 25 77.560 2.444 1.449 0.948 1.000 0.625 CB 1.827 25 residues pruned to eliminate duplicates Z: 28 70.750 2.503 1.484 0.945 0.963 0.630 CB 1.574 28 residues pruned to eliminate duplicates Z: 28 49.620 2.358 0.895 0.788 0.926 0.778 CA 1.791 28 residues pruned to eliminate duplicates Z: 25 73.685 2.494 1.326 0.933 0.958 0.958 CA 1.888 25 residues pruned to eliminate duplicates Z: 181 137.576 2.503 0.997 0.698 0.967 0.739 CB 1.771 110 residues pruned to eliminate duplicates Z: 25 66.632 2.557 0.991 0.933 1.000 0.958 CA 1.864 Z: 70 79.659 2.521 1.125 0.605 0.942 0.638 CB 1.720 70 residues pruned to eliminate duplicates Z: 27 71.813 2.534 1.472 0.938 0.923 0.731 CB 1.693 27 residues pruned to eliminate duplicates Z: 22 53.360 2.470 0.919 0.850 1.000 0.667 CA 1.820 22 residues pruned to eliminate duplicates Z: 6 12.134 1.993 0.710 0.833 1.000 0.800 CA 1.194 6 residues pruned to eliminate duplicates Z: 18 24.317 2.374 0.652 0.752 0.824 0.588 CB 1.459 Z: 29 45.507 2.413 0.927 0.808 0.786 0.500 CB 1.800 29 residues pruned to eliminate duplicates Z: 28 61.570 2.443 1.029 0.878 0.963 0.556 CA 1.801 28 residues pruned to eliminate duplicates Z: 13 35.272 2.338 0.804 0.890 1.000 0.917 CA 1.737 13 residues pruned to eliminate duplicates Z: 125 121.590 2.500 1.204 0.691 0.976 0.597 CB 1.706 125 residues pruned to eliminate duplicates Z: 18 33.778 2.311 1.032 0.840 0.882 0.529 CB 1.475 18 residues pruned to eliminate duplicates Z: 24 65.692 2.487 1.084 0.937 1.000 0.913 CB 1.839 24 residues pruned to eliminate duplicates Z: 23 73.375 2.661 1.176 0.932 1.000 0.864 CB 1.887 24 residues pruned to eliminate duplicates Z: 28 61.983 2.482 1.031 0.846 0.926 0.667 CA 1.898 28 residues pruned to eliminate duplicates Z: 6 4.510 2.001 0.123 0.458 0.600 0.400 CB 1.563 6 residues pruned to eliminate duplicates Z: 27 64.153 2.531 1.039 0.940 1.000 0.846 CB 1.693 27 residues pruned to eliminate duplicates Z: 15 33.206 2.295 0.783 0.862 0.929 0.714 CB 1.716 15 residues pruned to eliminate duplicates Z: 24 83.036 2.624 1.471 0.935 0.957 0.652 CB 1.945 24 residues pruned to eliminate duplicates Z: 7 13.008 2.010 0.523 0.789 1.000 1.000 CA 1.346 7 residues pruned to eliminate duplicates Z: 142 143.597 2.561 1.307 0.715 0.972 0.567 CB 1.734 154 residues pruned to eliminate duplicates Z: 20 34.836 2.258 0.763 0.805 1.000 0.737 CB 1.539 18 residues pruned to eliminate duplicates Z: 24 59.856 2.550 0.835 0.915 1.000 0.913 CA 1.885 24 residues pruned to eliminate duplicates Z: 25 78.998 2.501 1.531 0.938 1.000 0.542 CB 1.771 25 residues pruned to eliminate duplicates Z: 11 34.933 2.363 0.768 0.894 1.000 0.500 CB 1.896 11 residues pruned to eliminate duplicates Z: 28 62.121 2.444 1.074 0.867 0.963 0.667 CB 1.791 28 residues pruned to eliminate duplicates Z: 24 79.679 2.499 1.529 0.934 1.000 0.696 CB 1.833 24 residues pruned to eliminate duplicates Z: 28 61.928 2.383 0.990 0.931 1.000 0.778 CB 1.757 28 residues pruned to eliminate duplicates Z: 15 25.489 2.323 0.577 0.633 0.929 0.500 CB 1.769 15 residues pruned to eliminate duplicates Z: 20 36.857 2.333 0.844 0.834 1.000 0.632 CB 1.473 20 residues pruned to eliminate duplicates Z: 13 51.841 2.429 1.620 0.908 1.000 0.667 CB 1.670 13 residues pruned to eliminate duplicates Z: 27 57.280 2.348 1.104 0.908 0.962 0.692 CB 1.680 27 residues pruned to eliminate duplicates Z: 172 145.963 2.568 1.117 0.735 0.942 0.655 CB 1.766 163 residues pruned to eliminate duplicates Z: 28 53.194 2.391 0.758 0.913 0.963 0.778 CB 1.790 28 residues pruned to eliminate duplicates Z: 32 67.683 2.483 1.331 0.902 0.935 0.452 CB 1.601 32 residues pruned to eliminate duplicates Z: 26 64.667 2.496 0.944 0.925 1.000 0.800 CB 1.870 26 residues pruned to eliminate duplicates Z: 28 56.012 2.464 0.955 0.832 0.963 0.593 CB 1.745 28 residues pruned to eliminate duplicates Z: 29 58.580 2.350 0.983 0.864 0.964 0.679 CB 1.806 29 residues pruned to eliminate duplicates Z: 26 56.274 2.382 0.830 0.950 1.000 0.880 CB 1.781 26 residues pruned to eliminate duplicates Z: 48 70.273 2.403 1.150 0.717 0.936 0.660 CB 1.742 48 residues pruned to eliminate duplicates Z: 29 43.639 2.287 0.982 0.875 0.821 0.571 CB 1.611 29 residues pruned to eliminate duplicates Z: 185 142.864 2.497 1.182 0.716 0.946 0.614 CB 1.682 185 residues pruned to eliminate duplicates Z: 6 9.432 2.242 0.203 0.640 0.800 0.800 CA 1.716 Z: 28 68.779 2.416 1.284 0.932 1.000 0.556 CB 1.676 28 residues pruned to eliminate duplicates Z: 25 64.457 2.419 1.137 0.931 0.958 0.583 CB 1.856 25 residues pruned to eliminate duplicates Z: 31 54.087 2.456 0.722 0.905 1.000 0.900 CB 1.662 31 residues pruned to eliminate duplicates Z: 31 66.293 2.479 1.424 0.947 0.933 0.400 CB 1.491 31 residues pruned to eliminate duplicates Z: 7 5.668 1.638 0.518 0.832 1.000 1.000 CB 0.699 7 residues pruned to eliminate duplicates Z: 180 139.128 2.517 1.057 0.676 0.972 0.659 CB 1.756 180 residues pruned to eliminate duplicates Z: 157 130.151 2.498 1.175 0.722 0.942 0.558 CB 1.666 157 residues pruned to eliminate duplicates Z: 119 129.368 2.555 1.282 0.713 0.958 0.610 CB 1.758 119 residues pruned to eliminate duplicates Z: 28 55.642 2.374 1.019 0.878 0.963 0.704 CB 1.684 28 residues pruned to eliminate duplicates Z: 19 56.871 2.402 1.273 0.908 0.944 0.611 CB 1.846 19 residues pruned to eliminate duplicates Z: 22 48.845 2.421 1.107 0.857 0.952 0.667 CA 1.616 22 residues pruned to eliminate duplicates Z: 27 59.618 2.423 0.954 0.887 0.962 0.769 CB 1.851 27 residues pruned to eliminate duplicates Z: 27 56.803 2.350 1.409 0.935 0.846 0.615 CB 1.621 27 residues pruned to eliminate duplicates Z: 24 26.487 2.345 0.881 0.455 0.783 0.435 CB 1.676 24 residues pruned to eliminate duplicates Z: 25 64.303 2.418 1.148 0.930 0.958 0.750 CA 1.844 25 residues pruned to eliminate duplicates Z: 7 5.959 1.548 0.229 0.752 1.000 0.667 CA 1.022 7 residues pruned to eliminate duplicates Z: 181 144.886 2.568 1.033 0.694 0.967 0.639 CB 1.792 189 residues pruned to eliminate duplicates Z: 28 55.639 2.383 0.859 0.943 0.963 0.926 CB 1.740 28 residues pruned to eliminate duplicates Z: 31 63.465 2.491 0.879 0.947 1.000 0.900 CB 1.712 31 residues pruned to eliminate duplicates Z: 31 73.819 2.481 1.338 0.937 0.967 0.733 CB 1.673 31 residues pruned to eliminate duplicates Z: 14 39.900 2.433 0.753 0.947 1.000 0.846 CA 1.794 14 residues pruned to eliminate duplicates Z: 6 4.512 2.166 -0.054 0.492 0.600 0.600 CB 1.656 Z: 29 46.068 2.372 0.765 0.882 0.857 0.607 CB 1.755 29 residues pruned to eliminate duplicates Z: 6 8.801 2.141 0.317 0.535 0.800 0.600 CA 1.687 6 residues pruned to eliminate duplicates Z: 28 63.021 2.438 1.004 0.870 0.963 0.667 CA 1.881 34 residues pruned to eliminate duplicates Z: 28 56.530 2.484 0.971 0.847 0.926 0.630 CB 1.782 28 residues pruned to eliminate duplicates Z: 18 31.738 2.339 0.680 0.864 1.000 0.882 CB 1.436 18 residues pruned to eliminate duplicates Z: 17 25.685 2.297 0.757 0.737 0.750 0.562 CB 1.714 17 residues pruned to eliminate duplicates Z: 15 37.498 2.265 0.784 0.883 1.000 0.714 CB 1.794 15 residues pruned to eliminate duplicates Z: 217 169.579 2.530 1.177 0.736 0.968 0.648 CB 1.751 217 residues pruned to eliminate duplicates Z: 21 65.258 2.589 1.167 0.884 1.000 0.800 CA 1.879 21 residues pruned to eliminate duplicates Z: 130 149.568 2.593 1.317 0.747 0.992 0.651 CB 1.771 130 residues pruned to eliminate duplicates Z: 17 39.570 2.360 1.069 0.867 1.000 0.625 CB 1.482 18 residues pruned to eliminate duplicates Z: 24 80.611 2.659 1.206 0.942 1.000 0.957 CB 1.988 24 residues pruned to eliminate duplicates Z: 18 31.597 2.270 0.875 0.837 0.941 0.529 CB 1.431 18 residues pruned to eliminate duplicates Z: 26 59.530 2.344 1.322 0.937 0.920 0.520 CB 1.655 26 residues pruned to eliminate duplicates Z: 28 64.248 2.500 1.287 0.932 1.000 0.481 CB 1.511 28 residues pruned to eliminate duplicates Z: 6 5.080 2.083 0.171 0.570 0.600 0.600 CA 1.451 6 residues pruned to eliminate duplicates Z: 135 115.205 2.531 1.005 0.664 0.963 0.679 CB 1.750 135 residues pruned to eliminate duplicates Z: 78 87.322 2.528 0.997 0.683 0.974 0.740 CB 1.711 78 residues pruned to eliminate duplicates Z: 31 78.538 2.530 1.212 0.926 1.000 0.867 CB 1.796 31 residues pruned to eliminate duplicates Z: 182 147.644 2.509 1.168 0.702 0.967 0.624 CB 1.737 182 residues pruned to eliminate duplicates Z: 18 37.310 2.349 1.115 0.767 0.941 0.647 CB 1.527 18 residues pruned to eliminate duplicates Z: 230 176.585 2.518 1.216 0.725 0.983 0.620 CB 1.737 230 residues pruned to eliminate duplicates Z: 20 35.573 2.323 0.781 0.813 0.947 0.526 CB 1.586 20 residues pruned to eliminate duplicates Z: 19 35.853 2.312 1.071 0.820 1.000 0.500 CB 1.337 19 residues pruned to eliminate duplicates Z: 29 55.685 2.350 1.119 0.846 0.893 0.750 CA 1.759 29 residues pruned to eliminate duplicates Z: 25 71.266 2.427 1.439 0.926 0.958 0.500 CB 1.799 25 residues pruned to eliminate duplicates Z: 6 5.613 2.036 0.059 0.806 0.600 0.600 CA 1.486 6 residues pruned to eliminate duplicates Z: 30 66.185 2.501 1.020 0.946 1.000 0.690 CB 1.683 30 residues pruned to eliminate duplicates Z: 16 40.069 2.547 0.720 0.868 1.000 0.933 CB 1.727 16 residues pruned to eliminate duplicates Z: 60 64.645 2.441 1.092 0.562 0.932 0.559 CB 1.665 60 residues pruned to eliminate duplicates Z: 11 32.528 2.505 0.817 0.813 1.000 0.800 CA 1.721 11 residues pruned to eliminate duplicates Z: 230 160.493 2.504 1.136 0.719 0.952 0.616 CB 1.709 230 residues pruned to eliminate duplicates Z: 6 7.310 1.680 1.112 0.651 0.800 0.600 CB 1.000 Z: 14 35.573 2.338 0.922 0.877 1.000 0.615 CB 1.594 14 residues pruned to eliminate duplicates Z: 17 70.199 2.526 1.787 0.950 1.000 0.688 CB 1.719 17 residues pruned to eliminate duplicates Z: 20 29.881 2.144 0.697 0.844 1.000 0.789 CB 1.402 20 residues pruned to eliminate duplicates Z: 16 28.046 2.435 0.842 0.556 0.933 0.600 CB 1.638 22 residues pruned to eliminate duplicates Z: 26 56.658 2.535 0.874 0.933 0.960 0.920 CB 1.734 26 residues pruned to eliminate duplicates Z: 31 51.482 2.421 0.805 0.930 1.000 0.933 CB 1.503 31 residues pruned to eliminate duplicates Z: 9 13.828 2.381 0.758 0.778 0.625 0.500 CB 1.463 9 residues pruned to eliminate duplicates Z: 150 120.318 2.481 1.033 0.689 0.966 0.732 CB 1.700 488 residues pruned to eliminate duplicates Z: 28 54.073 2.464 0.796 0.823 0.963 0.667 CB 1.847 Z: 27 59.900 2.412 1.045 0.865 0.962 0.577 CB 1.815 27 residues pruned to eliminate duplicates Z: 27 65.307 2.419 1.202 0.916 0.962 0.500 CB 1.765 Z: 21 36.900 2.118 1.064 0.892 1.000 0.700 CB 1.356 19 residues pruned to eliminate duplicates Z: 18 34.157 2.273 0.983 0.898 0.941 0.588 CB 1.397 18 residues pruned to eliminate duplicates Z: 17 41.156 2.470 0.664 0.920 1.000 1.000 CB 1.763 Z: 26 71.802 2.528 1.416 0.936 0.960 0.600 CB 1.706 26 residues pruned to eliminate duplicates Z: 57 72.240 2.377 0.980 0.717 0.982 0.732 CB 1.715 48 residues pruned to eliminate duplicates Z: 33 48.314 2.403 0.911 0.616 0.969 0.500 CB 1.720 24 residues pruned to eliminate duplicates Z: 18 54.484 2.485 1.077 0.939 1.000 0.941 CB 1.779 18 residues pruned to eliminate duplicates Z: 6 10.207 2.094 0.544 0.720 0.800 0.600 CA 1.447 Z: 178 129.031 2.473 1.110 0.678 0.927 0.531 CB 1.702 102 residues pruned to eliminate duplicates Z: 18 31.671 2.260 1.123 0.832 0.882 0.235 CB 1.361 18 residues pruned to eliminate duplicates Z: 8 10.536 1.897 0.736 0.786 0.714 0.429 CB 1.317 8 residues pruned to eliminate duplicates Z: 21 59.384 2.407 1.463 0.929 0.950 0.600 CB 1.650 21 residues pruned to eliminate duplicates Z: 22 55.785 2.458 1.159 0.885 1.000 0.667 CB 1.656 22 residues pruned to eliminate duplicates Z: 64 57.618 2.438 0.865 0.513 0.889 0.571 CB 1.774 70 residues pruned to eliminate duplicates Z: 69 86.340 2.570 1.070 0.634 0.971 0.647 CB 1.788 69 residues pruned to eliminate duplicates Z: 143 112.732 2.495 0.994 0.665 0.944 0.697 CB 1.729 143 residues pruned to eliminate duplicates Z: 55 57.439 2.394 0.865 0.626 0.926 0.593 CB 1.680 10 residues pruned to eliminate duplicates Z: 27 55.624 2.538 1.002 0.849 0.923 0.615 CB 1.725 31 residues pruned to eliminate duplicates Z: 10 24.547 2.198 0.731 0.866 1.000 0.556 CB 1.574 10 residues pruned to eliminate duplicates Z: 24 56.813 2.569 1.010 0.910 1.000 0.913 CB 1.627 24 residues pruned to eliminate duplicates Z: 28 52.956 2.434 0.820 0.856 0.963 0.778 CA 1.763 28 residues pruned to eliminate duplicates Z: 146 133.055 2.506 1.211 0.706 0.966 0.607 CB 1.713 140 residues pruned to eliminate duplicates Z: 23 54.038 2.496 1.291 0.783 0.909 0.682 CB 1.727 23 residues pruned to eliminate duplicates Z: 7 12.349 1.906 0.772 0.873 1.000 0.833 CB 1.087 7 residues pruned to eliminate duplicates Z: 10 39.503 2.693 0.973 0.893 1.000 0.667 CB 1.779 10 residues pruned to eliminate duplicates Z: 32 59.680 2.447 0.864 0.906 1.000 0.806 CB 1.671 32 residues pruned to eliminate duplicates Z: 82 79.983 2.414 0.947 0.596 0.975 0.617 CB 1.770 105 residues pruned to eliminate duplicates Z: 11 41.029 2.434 1.193 0.834 1.000 0.700 CB 1.823 11 residues pruned to eliminate duplicates Z: 6 12.120 2.232 0.668 0.555 0.800 0.600 CB 1.726 6 residues pruned to eliminate duplicates Z: 14 36.604 2.220 0.947 0.917 1.000 0.846 CA 1.657 14 residues pruned to eliminate duplicates Z: 46 85.024 2.644 1.133 0.773 1.000 0.800 CB 1.765 46 residues pruned to eliminate duplicates Z: 25 60.309 2.369 1.267 0.907 0.917 0.583 CB 1.777 25 residues pruned to eliminate duplicates Z: 32 59.600 2.431 0.825 0.901 1.000 0.903 CB 1.723 32 residues pruned to eliminate duplicates Z: 8 8.182 1.730 0.390 0.778 1.000 0.714 CB 1.006 Z: 10 17.606 2.068 1.023 0.737 0.778 0.556 CA 1.459 Z: 68 71.010 2.465 1.060 0.575 0.940 0.701 CB 1.690 76 residues pruned to eliminate duplicates Z: 18 56.100 2.420 1.263 0.885 1.000 0.647 CB 1.794 18 residues pruned to eliminate duplicates Z: 188 149.251 2.516 1.122 0.724 0.957 0.620 CB 1.744 188 residues pruned to eliminate duplicates Z: 8 7.635 1.897 0.617 0.245 0.857 0.286 CA 1.473 8 residues pruned to eliminate duplicates Z: 23 22.722 2.154 0.679 0.394 0.909 0.545 CA 1.647 23 residues pruned to eliminate duplicates Z: 19 31.082 2.226 0.535 0.862 1.000 0.778 CB 1.575 19 residues pruned to eliminate duplicates Z: 10 31.881 2.637 0.608 0.798 1.000 0.667 CB 1.930 10 residues pruned to eliminate duplicates Z: 18 50.171 2.379 1.359 0.867 0.882 0.235 CB 1.798 18 residues pruned to eliminate duplicates Z: 21 53.866 2.541 1.006 0.878 0.950 0.750 CB 1.805 21 residues pruned to eliminate duplicates Z: 18 38.759 2.351 1.078 0.883 0.941 0.765 CB 1.478 18 residues pruned to eliminate duplicates Z: 28 48.843 2.340 1.056 0.814 0.889 0.481 CB 1.673 28 residues pruned to eliminate duplicates Z: 32 54.746 2.413 1.146 0.873 0.903 0.548 CB 1.531 32 residues pruned to eliminate duplicates Z: 13 16.500 1.985 0.380 0.888 1.000 0.750 CB 1.253 13 residues pruned to eliminate duplicates Z: 31 47.077 2.346 1.001 0.671 0.867 0.500 CB 1.804 31 residues pruned to eliminate duplicates Z: 26 77.006 2.460 1.346 0.948 1.000 0.600 CB 1.844 26 residues pruned to eliminate duplicates Z: 44 54.706 2.492 0.926 0.671 0.884 0.581 CB 1.680 44 residues pruned to eliminate duplicates Z: 13 38.435 2.469 1.212 0.932 1.000 0.500 CB 1.419 13 residues pruned to eliminate duplicates Z: 180 141.546 2.502 1.099 0.701 0.966 0.592 CB 1.736 89 residues pruned to eliminate duplicates Z: 24 34.180 2.296 0.889 0.563 1.000 0.739 CB 1.546 24 residues pruned to eliminate duplicates Z: 32 72.583 2.468 1.426 0.922 0.935 0.419 CB 1.637 32 residues pruned to eliminate duplicates Z: 185 138.369 2.530 1.001 0.687 0.962 0.636 CB 1.765 185 residues pruned to eliminate duplicates Z: 32 59.857 2.376 1.327 0.874 0.935 0.516 CB 1.513 32 residues pruned to eliminate duplicates Z: 24 40.228 2.358 1.056 0.697 0.957 0.652 CB 1.511 Z: 6 15.793 2.033 0.772 0.889 1.000 0.800 CA 1.412 6 residues pruned to eliminate duplicates Z: 18 45.538 2.426 0.944 0.906 1.000 0.647 CB 1.666 18 residues pruned to eliminate duplicates Z: 32 62.962 2.509 0.983 0.910 0.968 0.839 CB 1.666 32 residues pruned to eliminate duplicates Z: 101 100.413 2.564 0.920 0.697 0.950 0.730 CB 1.794 101 residues pruned to eliminate duplicates Z: 24 72.232 2.413 1.560 0.954 0.957 0.304 CB 1.753 24 residues pruned to eliminate duplicates Z: 12 5.284 1.626 0.938 0.281 0.727 0.455 CB 0.890 Z: 18 48.266 2.323 1.158 0.901 0.941 0.294 CB 1.772 18 residues pruned to eliminate duplicates Z: 157 133.855 2.550 1.203 0.659 0.955 0.577 CB 1.723 157 residues pruned to eliminate duplicates Z: 36 59.713 2.403 1.152 0.790 0.971 0.714 CB 1.557 37 residues pruned to eliminate duplicates Z: 17 30.389 2.399 0.705 0.556 1.000 0.562 CB 1.759 17 residues pruned to eliminate duplicates 6 1.876 1.519 0.151 0.302 0.800 0.400 CB 0.748 ? Z: 158 132.412 2.527 1.112 0.711 0.955 0.567 CB 1.711 158 residues pruned to eliminate duplicates Z: 52 62.748 2.304 0.963 0.757 0.941 0.667 CB 1.641 52 residues pruned to eliminate duplicates Z: 45 58.669 2.466 0.871 0.667 0.909 0.614 CB 1.807 45 residues pruned to eliminate duplicates Z: 44 48.577 2.442 0.842 0.671 0.884 0.488 CB 1.591 44 residues pruned to eliminate duplicates Z: 72 80.905 2.542 0.971 0.646 0.944 0.620 CB 1.771 72 residues pruned to eliminate duplicates Z: 18 52.917 2.603 0.931 0.860 1.000 0.706 CB 1.878 18 residues pruned to eliminate duplicates Z: 31 51.308 2.516 0.982 0.644 0.900 0.633 CB 1.824 31 residues pruned to eliminate duplicates Z: 183 142.417 2.517 1.085 0.718 0.956 0.643 CB 1.727 170 residues pruned to eliminate duplicates Z: 22 37.111 2.309 1.203 0.720 0.952 0.476 CB 1.370 22 residues pruned to eliminate duplicates Z: 189 160.832 2.546 1.244 0.689 0.979 0.532 CB 1.765 189 residues pruned to eliminate duplicates Z: 7 3.204 1.548 0.801 0.268 0.667 0.333 N 0.916 Z: 18 39.921 2.370 0.942 0.856 1.000 0.765 CB 1.551 18 residues pruned to eliminate duplicates Z: 176 118.695 2.435 0.995 0.668 0.943 0.703 CB 1.677 176 residues pruned to eliminate duplicates Z: 18 52.209 2.421 1.420 0.841 1.000 0.706 CB 1.612 18 residues pruned to eliminate duplicates Z: 49 54.245 2.421 0.788 0.637 0.917 0.542 CB 1.735 49 residues pruned to eliminate duplicates Z: 185 143.132 2.501 1.139 0.710 0.951 0.576 CB 1.713 185 residues pruned to eliminate duplicates Z: 47 79.843 2.445 1.093 0.782 0.978 0.783 CB 1.834 50 residues pruned to eliminate duplicates Z: 20 33.700 2.214 1.048 0.846 0.947 0.684 CB 1.337 20 residues pruned to eliminate duplicates Z: 66 50.149 2.339 0.771 0.502 0.862 0.554 CB 1.740 66 residues pruned to eliminate duplicates Z: 224 160.733 2.530 1.134 0.719 0.946 0.574 CB 1.729 224 residues pruned to eliminate duplicates Z: 92 90.413 2.492 0.979 0.609 0.956 0.626 CB 1.812 92 residues pruned to eliminate duplicates Z: 184 150.933 2.544 1.163 0.683 0.973 0.634 CB 1.762 184 residues pruned to eliminate duplicates 6 1.707 1.155 0.481 0.514 1.000 0.600 CB 0.440 ? Z: 111 108.944 2.485 1.097 0.726 0.964 0.582 CB 1.688 153 residues pruned to eliminate duplicates Z: 17 62.496 2.612 1.507 0.921 1.000 0.438 CB 1.679 17 residues pruned to eliminate duplicates Z: 17 49.773 2.400 1.050 0.904 1.000 0.750 CB 1.801 17 residues pruned to eliminate duplicates Z: 178 136.067 2.521 1.110 0.662 0.949 0.610 CB 1.743 178 residues pruned to eliminate duplicates Z: 70 70.560 2.449 1.039 0.557 0.928 0.609 CB 1.735 70 residues pruned to eliminate duplicates Z: 6 2.348 1.615 0.197 0.488 0.600 0.400 CB 0.916 Z: 12 28.055 2.310 0.760 0.899 1.000 1.000 CB 1.488 12 residues pruned to eliminate duplicates Z: 21 57.260 2.422 1.122 0.913 0.950 0.750 CB 1.856 21 residues pruned to eliminate duplicates Z: 7 11.943 1.720 0.703 0.816 1.000 0.500 CB 1.266 7 residues pruned to eliminate duplicates Z: 6 2.976 1.639 0.128 0.672 0.800 0.600 CB 0.768 Z: 50 69.668 2.519 1.032 0.697 0.939 0.571 CB 1.730 50 residues pruned to eliminate duplicates Z: 17 47.958 2.345 1.340 0.920 0.875 0.125 CB 1.759 17 residues pruned to eliminate duplicates Z: 38 44.472 2.283 0.866 0.576 0.919 0.730 CB 1.736 38 residues pruned to eliminate duplicates Z: 18 33.942 2.313 0.698 0.873 1.000 0.882 CB 1.528 18 residues pruned to eliminate duplicates Z: 8 4.651 1.422 0.612 0.333 0.857 0.429 CA 1.074 Z: 14 39.544 2.440 1.169 0.940 1.000 0.615 CB 1.439 Z: 180 145.078 2.506 1.150 0.706 0.961 0.637 CB 1.737 180 residues pruned to eliminate duplicates Z: 26 55.338 2.368 1.333 0.770 0.960 0.840 CB 1.643 26 residues pruned to eliminate duplicates Z: 183 152.958 2.544 1.185 0.695 0.967 0.560 CB 1.765 193 residues pruned to eliminate duplicates Z: 28 54.618 2.456 1.243 0.656 0.963 0.556 CB 1.713 28 residues pruned to eliminate duplicates Z: 48 51.525 2.413 0.873 0.646 0.851 0.553 CB 1.705 48 residues pruned to eliminate duplicates Z: 28 55.542 2.397 0.900 0.892 0.926 0.815 CA 1.820 28 residues pruned to eliminate duplicates Z: 83 80.349 2.404 1.136 0.596 0.939 0.500 CB 1.680 83 residues pruned to eliminate duplicates Z: 7 6.423 1.755 0.333 0.634 0.833 0.500 CB 1.186 7 residues pruned to eliminate duplicates Z: 6 5.040 1.615 0.913 0.431 0.800 0.800 CA 0.980 Z: 9 6.067 1.733 0.968 0.424 0.750 0.625 CA 0.907 Z: 17 74.654 2.562 1.726 0.894 1.000 0.562 CB 1.917 26 residues pruned to eliminate duplicates Z: 88 111.125 2.516 1.269 0.715 0.989 0.609 CB 1.738 88 residues pruned to eliminate duplicates Z: 106 107.497 2.472 1.065 0.740 0.962 0.771 CB 1.723 106 residues pruned to eliminate duplicates Z: 42 69.153 2.425 1.018 0.803 0.927 0.756 CB 1.827 42 residues pruned to eliminate duplicates Z: 126 128.004 2.513 1.291 0.729 0.952 0.544 CB 1.699 126 residues pruned to eliminate duplicates Z: 138 114.074 2.524 0.980 0.749 0.920 0.620 CB 1.698 138 residues pruned to eliminate duplicates Z: 180 147.991 2.526 1.279 0.677 0.927 0.547 CB 1.761 180 residues pruned to eliminate duplicates Z: 36 55.007 2.435 1.001 0.656 0.943 0.657 CB 1.751 36 residues pruned to eliminate duplicates Z: 30 67.518 2.561 1.263 0.945 0.931 0.655 CB 1.608 30 residues pruned to eliminate duplicates Z: 47 84.885 2.516 1.385 0.755 0.978 0.652 CB 1.699 47 residues pruned to eliminate duplicates Z: 6 8.009 1.790 0.595 0.674 1.000 0.200 CB 1.068 6 residues pruned to eliminate duplicates Z: 182 160.719 2.575 1.221 0.696 0.972 0.608 CB 1.796 184 residues pruned to eliminate duplicates Z: 11 16.455 2.398 0.429 0.646 0.800 0.400 CB 1.657 11 residues pruned to eliminate duplicates Z: 13 12.832 2.126 0.395 0.487 0.833 0.500 CB 1.519 13 residues pruned to eliminate duplicates Z: 50 78.031 2.405 1.095 0.792 0.939 0.755 CB 1.824 50 residues pruned to eliminate duplicates Z: 87 89.017 2.512 1.121 0.654 0.930 0.616 CB 1.678 87 residues pruned to eliminate duplicates Z: 73 101.353 2.541 1.175 0.757 0.986 0.722 CB 1.743 73 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 25 59.424 2.449 1.097 0.776 1.000 0.708 CB 1.851 25 residues pruned to eliminate duplicates Z: 178 132.093 2.524 1.005 0.671 0.944 0.684 CB 1.775 178 residues pruned to eliminate duplicates Z: 145 123.157 2.504 1.056 0.700 0.965 0.708 CB 1.721 145 residues pruned to eliminate duplicates Z: 228 153.346 2.507 1.058 0.717 0.934 0.670 CB 1.735 231 residues pruned to eliminate duplicates Z: 22 54.311 2.409 1.118 0.859 0.952 0.810 CA 1.794 22 residues pruned to eliminate duplicates Z: 142 114.775 2.453 1.041 0.687 0.950 0.702 CB 1.712 142 residues pruned to eliminate duplicates Z: 185 138.332 2.506 1.060 0.703 0.951 0.641 CB 1.726 185 residues pruned to eliminate duplicates Z: 182 147.278 2.517 1.079 0.710 0.978 0.735 CB 1.768 182 residues pruned to eliminate duplicates Z: 181 138.402 2.520 0.994 0.696 0.967 0.706 CB 1.777 181 residues pruned to eliminate duplicates Z: 109 112.557 2.536 1.071 0.731 0.954 0.750 CB 1.757 109 residues pruned to eliminate duplicates Z: 185 137.818 2.501 1.035 0.713 0.957 0.674 CB 1.720 185 residues pruned to eliminate duplicates Z: 184 136.927 2.503 1.018 0.715 0.951 0.683 CB 1.734 184 residues pruned to eliminate duplicates Z: 127 108.899 2.494 0.974 0.679 0.960 0.738 CB 1.740 127 residues pruned to eliminate duplicates Z: 230 154.208 2.509 1.055 0.702 0.952 0.681 CB 1.727 230 residues pruned to eliminate duplicates Z: 68 95.075 2.587 1.143 0.735 0.985 0.746 CB 1.722 68 residues pruned to eliminate duplicates Z: 184 132.110 2.482 1.030 0.699 0.951 0.672 CB 1.701 184 residues pruned to eliminate duplicates Z: 181 145.257 2.524 1.094 0.695 0.978 0.661 CB 1.753 181 residues pruned to eliminate duplicates Z: 161 126.106 2.494 1.054 0.672 0.950 0.731 CB 1.749 161 residues pruned to eliminate duplicates Z: 171 139.477 2.538 1.029 0.741 0.959 0.729 CB 1.745 171 residues pruned to eliminate duplicates Z: 181 149.512 2.527 1.113 0.693 0.978 0.706 CB 1.789 181 residues pruned to eliminate duplicates Z: 181 146.910 2.537 1.114 0.689 0.967 0.650 CB 1.775 181 residues pruned to eliminate duplicates Z: 165 123.677 2.479 0.974 0.680 0.970 0.713 CB 1.725 165 residues pruned to eliminate duplicates Z: 65 86.599 2.584 1.027 0.720 0.984 0.656 CB 1.720 65 residues pruned to eliminate duplicates Z: 118 116.593 2.495 1.083 0.717 0.974 0.761 CB 1.749 118 residues pruned to eliminate duplicates Z: 121 109.337 2.531 1.022 0.668 0.950 0.692 CB 1.758 121 residues pruned to eliminate duplicates Z: 185 136.129 2.498 1.033 0.702 0.951 0.641 CB 1.729 185 residues pruned to eliminate duplicates Z: 181 142.687 2.523 1.069 0.696 0.972 0.650 CB 1.752 181 residues pruned to eliminate duplicates Z: 108 110.766 2.500 1.032 0.727 0.981 0.682 CB 1.750 108 residues pruned to eliminate duplicates Z: 83 86.140 2.515 0.999 0.673 0.963 0.659 CB 1.675 83 residues pruned to eliminate duplicates Z: 130 133.941 2.547 1.163 0.734 0.992 0.682 CB 1.749 130 residues pruned to eliminate duplicates Z: 119 116.895 2.483 1.089 0.692 0.992 0.686 CB 1.755 119 residues pruned to eliminate duplicates Z: 79 86.754 2.511 1.041 0.661 0.974 0.731 CB 1.695 79 residues pruned to eliminate duplicates Z: 179 130.300 2.488 1.074 0.656 0.938 0.573 CB 1.745 179 residues pruned to eliminate duplicates Z: 106 126.357 2.542 1.193 0.755 0.990 0.714 CB 1.780 106 residues pruned to eliminate duplicates Z: 121 110.142 2.473 1.101 0.694 0.950 0.733 CB 1.706 121 residues pruned to eliminate duplicates Z: 129 110.496 2.516 1.018 0.647 0.961 0.625 CB 1.745 129 residues pruned to eliminate duplicates Z: 179 130.283 2.493 1.058 0.678 0.921 0.657 CB 1.754 179 residues pruned to eliminate duplicates Z: 77 81.940 2.488 1.107 0.657 0.961 0.553 CB 1.614 77 residues pruned to eliminate duplicates Z: 182 133.382 2.486 1.067 0.682 0.945 0.597 CB 1.728 182 residues pruned to eliminate duplicates Z: 183 142.919 2.506 1.134 0.712 0.934 0.626 CB 1.749 133 residues pruned to eliminate duplicates Z: 31 71.855 2.511 1.316 0.930 0.967 0.600 CB 1.633 31 residues pruned to eliminate duplicates Z: 89 115.409 2.567 1.279 0.742 0.966 0.659 CB 1.754 89 residues pruned to eliminate duplicates Z: 181 144.808 2.522 1.137 0.696 0.967 0.628 CB 1.732 142 residues pruned to eliminate duplicates Z: 30 68.818 2.535 1.175 0.957 1.000 0.655 CB 1.591 30 residues pruned to eliminate duplicates Z: 159 134.915 2.504 1.141 0.715 0.968 0.696 CB 1.701 159 residues pruned to eliminate duplicates Z: 148 127.243 2.538 1.081 0.732 0.939 0.667 CB 1.718 148 residues pruned to eliminate duplicates Z: 101 112.052 2.520 1.218 0.703 0.990 0.740 CB 1.683 101 residues pruned to eliminate duplicates Z: 141 133.690 2.519 1.213 0.705 0.986 0.693 CB 1.707 141 residues pruned to eliminate duplicates Z: 184 144.240 2.526 1.120 0.706 0.951 0.650 CB 1.737 184 residues pruned to eliminate duplicates Z: 181 150.338 2.520 1.180 0.697 0.972 0.661 CB 1.752 181 residues pruned to eliminate duplicates Z: 142 134.371 2.507 1.282 0.705 0.965 0.603 CB 1.702 142 residues pruned to eliminate duplicates Z: 47 73.599 2.414 1.242 0.726 0.935 0.696 CB 1.750 47 residues pruned to eliminate duplicates Z: 145 128.931 2.512 1.206 0.701 0.958 0.639 CB 1.684 145 residues pruned to eliminate duplicates Z: 184 134.227 2.488 1.109 0.721 0.929 0.579 CB 1.668 184 residues pruned to eliminate duplicates Z: 181 133.143 2.495 1.141 0.678 0.922 0.572 CB 1.710 181 residues pruned to eliminate duplicates Z: 47 74.028 2.393 1.128 0.745 0.957 0.674 CB 1.800 47 residues pruned to eliminate duplicates Z: 103 112.241 2.496 1.227 0.697 0.980 0.588 CB 1.704 103 residues pruned to eliminate duplicates Z: 146 132.921 2.489 1.297 0.689 0.959 0.586 CB 1.693 146 residues pruned to eliminate duplicates Z: 51 66.042 2.336 1.120 0.712 0.940 0.700 CB 1.656 51 residues pruned to eliminate duplicates Z: 180 145.197 2.503 1.152 0.701 0.972 0.637 CB 1.726 180 residues pruned to eliminate duplicates Z: 186 138.025 2.501 1.153 0.695 0.930 0.584 CB 1.697 186 residues pruned to eliminate duplicates Z: 186 135.907 2.485 1.113 0.690 0.941 0.611 CB 1.700 186 residues pruned to eliminate duplicates Z: 145 125.610 2.489 1.177 0.676 0.965 0.556 CB 1.701 145 residues pruned to eliminate duplicates Z: 151 129.061 2.474 1.228 0.685 0.947 0.567 CB 1.703 151 residues pruned to eliminate duplicates Z: 184 144.755 2.506 1.141 0.716 0.962 0.617 CB 1.706 184 residues pruned to eliminate duplicates Z: 183 138.994 2.498 1.126 0.690 0.951 0.615 CB 1.715 183 residues pruned to eliminate duplicates Z: 179 134.681 2.487 1.131 0.686 0.955 0.657 CB 1.682 179 residues pruned to eliminate duplicates Z: 144 132.918 2.515 1.206 0.726 0.951 0.573 CB 1.718 144 residues pruned to eliminate duplicates Z: 108 124.673 2.528 1.293 0.742 0.963 0.645 CB 1.740 108 residues pruned to eliminate duplicates Z: 130 135.064 2.542 1.292 0.739 0.946 0.620 CB 1.742 130 residues pruned to eliminate duplicates Z: 129 139.279 2.553 1.300 0.732 0.977 0.609 CB 1.742 129 residues pruned to eliminate duplicates Z: 185 140.104 2.505 1.196 0.705 0.924 0.576 CB 1.686 185 residues pruned to eliminate duplicates Z: 188 138.127 2.493 1.141 0.687 0.947 0.524 CB 1.684 188 residues pruned to eliminate duplicates Z: 163 138.179 2.487 1.166 0.687 0.981 0.556 CB 1.730 163 residues pruned to eliminate duplicates Z: 143 129.328 2.505 1.211 0.701 0.951 0.585 CB 1.716 143 residues pruned to eliminate duplicates Z: 181 142.706 2.527 1.113 0.697 0.950 0.572 CB 1.752 181 residues pruned to eliminate duplicates Z: 142 136.740 2.515 1.302 0.709 0.965 0.610 CB 1.705 142 residues pruned to eliminate duplicates Z: 129 142.895 2.554 1.349 0.745 0.969 0.594 CB 1.745 129 residues pruned to eliminate duplicates Z: 230 165.735 2.515 1.152 0.726 0.956 0.620 CB 1.725 226 residues pruned to eliminate duplicates Z: 28 67.805 2.432 1.210 0.930 0.963 0.630 CB 1.763 28 residues pruned to eliminate duplicates Z: 151 122.130 2.457 1.174 0.685 0.927 0.587 CB 1.701 151 residues pruned to eliminate duplicates Z: 111 123.599 2.520 1.314 0.727 0.945 0.545 CB 1.742 111 residues pruned to eliminate duplicates Z: 182 143.862 2.513 1.203 0.678 0.945 0.630 CB 1.736 182 residues pruned to eliminate duplicates Z: 293 177.855 2.501 1.149 0.677 0.952 0.586 CB 1.728 293 residues pruned to eliminate duplicates Z: 118 122.513 2.505 1.238 0.707 0.974 0.581 CB 1.718 118 residues pruned to eliminate duplicates Z: 185 135.139 2.486 1.106 0.704 0.935 0.543 CB 1.691 185 residues pruned to eliminate duplicates Z: 184 141.794 2.508 1.149 0.709 0.945 0.612 CB 1.701 184 residues pruned to eliminate duplicates Z: 185 149.415 2.513 1.171 0.712 0.973 0.565 CB 1.712 185 residues pruned to eliminate duplicates Z: 130 133.652 2.546 1.232 0.732 0.977 0.636 CB 1.720 130 residues pruned to eliminate duplicates Z: 181 150.714 2.530 1.188 0.701 0.978 0.578 CB 1.729 181 residues pruned to eliminate duplicates Z: 8 13.942 2.011 0.916 0.539 1.000 0.571 CA 1.316 8 residues pruned to eliminate duplicates Z: 146 135.419 2.510 1.219 0.709 0.972 0.607 CB 1.717 146 residues pruned to eliminate duplicates Z: 184 143.188 2.513 1.130 0.707 0.956 0.568 CB 1.714 184 residues pruned to eliminate duplicates Z: 118 93.766 2.459 0.943 0.657 0.923 0.521 CB 1.698 118 residues pruned to eliminate duplicates Z: 230 165.297 2.513 1.171 0.715 0.956 0.607 CB 1.722 230 residues pruned to eliminate duplicates Z: 181 144.749 2.528 1.168 0.691 0.961 0.594 CB 1.719 181 residues pruned to eliminate duplicates Z: 130 139.983 2.555 1.288 0.740 0.984 0.589 CB 1.727 130 residues pruned to eliminate duplicates Z: 184 149.088 2.530 1.171 0.708 0.962 0.574 CB 1.728 184 residues pruned to eliminate duplicates Z: 186 147.817 2.508 1.168 0.707 0.973 0.627 CB 1.701 186 residues pruned to eliminate duplicates Z: 141 130.359 2.504 1.222 0.712 0.964 0.571 CB 1.694 141 residues pruned to eliminate duplicates Z: 37 48.962 2.417 1.029 0.589 0.889 0.667 CB 1.720 37 residues pruned to eliminate duplicates Z: 186 146.501 2.503 1.165 0.708 0.962 0.584 CB 1.710 186 residues pruned to eliminate duplicates Z: 181 150.164 2.525 1.189 0.705 0.967 0.611 CB 1.739 181 residues pruned to eliminate duplicates Z: 17 61.471 2.529 1.309 0.911 1.000 0.625 CB 1.864 17 residues pruned to eliminate duplicates Z: 33 64.156 2.544 1.227 0.648 1.000 0.688 CB 1.743 33 residues pruned to eliminate duplicates Z: 172 151.834 2.540 1.235 0.734 0.971 0.626 CB 1.707 172 residues pruned to eliminate duplicates Z: 183 140.954 2.501 1.149 0.682 0.956 0.577 CB 1.721 183 residues pruned to eliminate duplicates Z: 184 146.357 2.516 1.178 0.712 0.951 0.601 CB 1.713 184 residues pruned to eliminate duplicates Z: 294 168.970 2.484 1.117 0.649 0.945 0.590 CB 1.728 294 residues pruned to eliminate duplicates Z: 181 153.338 2.529 1.249 0.703 0.961 0.650 CB 1.737 181 residues pruned to eliminate duplicates Z: 161 136.832 2.507 1.181 0.709 0.963 0.588 CB 1.701 161 residues pruned to eliminate duplicates Z: 130 130.049 2.538 1.220 0.751 0.938 0.504 CB 1.733 130 residues pruned to eliminate duplicates Z: 171 151.824 2.556 1.226 0.737 0.959 0.594 CB 1.726 171 residues pruned to eliminate duplicates Z: 184 147.764 2.524 1.191 0.703 0.956 0.568 CB 1.717 184 residues pruned to eliminate duplicates Z: 186 141.874 2.502 1.133 0.692 0.968 0.600 CB 1.694 186 residues pruned to eliminate duplicates Z: 171 147.095 2.540 1.174 0.736 0.959 0.576 CB 1.724 171 residues pruned to eliminate duplicates Z: 232 158.507 2.497 1.140 0.708 0.952 0.580 CB 1.696 232 residues pruned to eliminate duplicates Z: 217 165.044 2.535 1.155 0.735 0.958 0.639 CB 1.736 217 residues pruned to eliminate duplicates Z: 184 146.209 2.518 1.160 0.706 0.956 0.557 CB 1.722 184 residues pruned to eliminate duplicates Z: 230 164.330 2.519 1.135 0.718 0.965 0.581 CB 1.718 230 residues pruned to eliminate duplicates Z: 166 120.581 2.454 1.103 0.683 0.933 0.600 CB 1.648 166 residues pruned to eliminate duplicates Z: 183 151.157 2.531 1.188 0.709 0.962 0.626 CB 1.739 183 residues pruned to eliminate duplicates Z: 230 168.357 2.512 1.187 0.718 0.965 0.624 CB 1.723 230 residues pruned to eliminate duplicates Z: 28 63.200 2.467 1.078 0.838 1.000 0.556 CB 1.772 28 residues pruned to eliminate duplicates Z: 173 149.190 2.536 1.203 0.711 0.977 0.570 CB 1.722 173 residues pruned to eliminate duplicates Z: 45 66.280 2.523 0.947 0.674 0.955 0.659 CB 1.814 42 residues pruned to eliminate duplicates Z: 28 57.363 2.486 0.852 0.828 1.000 0.741 CA 1.806 28 residues pruned to eliminate duplicates Z: 186 149.199 2.509 1.210 0.702 0.962 0.616 CB 1.710 46 residues pruned to eliminate duplicates Z: 26 61.005 2.517 1.136 0.843 0.960 0.800 CB 1.760 26 residues pruned to eliminate duplicates Z: 44 61.665 2.562 0.904 0.673 0.930 0.721 CB 1.766 44 residues pruned to eliminate duplicates Z: 184 149.901 2.531 1.166 0.708 0.967 0.645 CB 1.730 184 residues pruned to eliminate duplicates Z: 132 134.013 2.549 1.174 0.753 0.969 0.618 CB 1.740 132 residues pruned to eliminate duplicates Z: 181 140.990 2.510 1.186 0.685 0.950 0.567 CB 1.702 181 residues pruned to eliminate duplicates Z: 183 152.161 2.531 1.204 0.714 0.962 0.643 CB 1.732 183 residues pruned to eliminate duplicates Z: 183 149.398 2.523 1.128 0.718 0.973 0.588 CB 1.741 183 residues pruned to eliminate duplicates Z: 186 144.197 2.505 1.139 0.689 0.978 0.589 CB 1.701 186 residues pruned to eliminate duplicates Z: 184 144.046 2.522 1.195 0.689 0.940 0.617 CB 1.721 185 residues pruned to eliminate duplicates Z: 28 57.116 2.456 0.892 0.830 0.963 0.815 CA 1.847 28 residues pruned to eliminate duplicates Z: 73 84.209 2.531 1.056 0.662 0.944 0.667 CB 1.738 73 residues pruned to eliminate duplicates Z: 47 63.618 2.479 1.037 0.654 0.935 0.587 CB 1.723 47 residues pruned to eliminate duplicates Z: 167 152.540 2.542 1.221 0.709 0.982 0.590 CB 1.767 167 residues pruned to eliminate duplicates Z: 218 169.275 2.541 1.196 0.732 0.959 0.622 CB 1.744 218 residues pruned to eliminate duplicates Z: 185 150.265 2.511 1.203 0.700 0.973 0.598 CB 1.716 185 residues pruned to eliminate duplicates Z: 183 146.191 2.516 1.213 0.699 0.940 0.582 CB 1.727 183 residues pruned to eliminate duplicates Z: 184 148.416 2.526 1.169 0.706 0.962 0.628 CB 1.727 184 residues pruned to eliminate duplicates Z: 231 165.484 2.520 1.136 0.712 0.961 0.648 CB 1.741 231 residues pruned to eliminate duplicates Z: 78 94.262 2.550 1.077 0.725 0.948 0.675 CB 1.746 78 residues pruned to eliminate duplicates Z: 23 30.318 2.319 0.996 0.465 0.818 0.500 CA 1.769 23 residues pruned to eliminate duplicates Z: 230 167.647 2.525 1.151 0.719 0.965 0.624 CB 1.734 230 residues pruned to eliminate duplicates Z: 113 106.453 2.552 0.957 0.711 0.929 0.705 CB 1.790 113 residues pruned to eliminate duplicates Z: 218 161.094 2.523 1.150 0.704 0.968 0.622 CB 1.731 218 residues pruned to eliminate duplicates Z: 29 55.634 2.620 1.034 0.659 0.929 0.679 CB 1.833 29 residues pruned to eliminate duplicates Z: 70 77.221 2.482 0.989 0.634 0.928 0.594 CB 1.790 70 residues pruned to eliminate duplicates Z: 181 145.254 2.517 1.134 0.706 0.972 0.639 CB 1.718 181 residues pruned to eliminate duplicates Z: 59 54.492 2.382 0.778 0.610 0.931 0.586 CB 1.635 59 residues pruned to eliminate duplicates Z: 181 156.355 2.523 1.235 0.698 0.983 0.583 CB 1.754 194 residues pruned to eliminate duplicates Z: 6 6.426 1.732 0.640 0.339 1.000 0.800 CA 1.206 Z: 6 9.711 1.977 0.857 0.583 0.800 0.800 CA 1.365 12 residues pruned to eliminate duplicates Z: 57 64.141 2.440 0.915 0.603 0.964 0.679 CB 1.724 57 residues pruned to eliminate duplicates Z: 71 72.495 2.505 0.955 0.621 0.957 0.671 CB 1.649 71 residues pruned to eliminate duplicates Z: 144 116.848 2.495 1.059 0.682 0.944 0.706 CB 1.704 144 residues pruned to eliminate duplicates Z: 58 64.046 2.419 0.953 0.603 0.947 0.614 CB 1.718 58 residues pruned to eliminate duplicates Z: 185 132.648 2.505 1.010 0.693 0.940 0.636 CB 1.731 185 residues pruned to eliminate duplicates Z: 181 141.297 2.525 1.045 0.695 0.972 0.711 CB 1.755 181 residues pruned to eliminate duplicates Z: 157 123.623 2.504 0.971 0.717 0.968 0.718 CB 1.703 157 residues pruned to eliminate duplicates Z: 71 72.323 2.488 0.952 0.624 0.943 0.600 CB 1.680 71 residues pruned to eliminate duplicates Z: 120 99.488 2.467 0.877 0.697 0.958 0.782 CB 1.717 120 residues pruned to eliminate duplicates Z: 179 133.124 2.506 0.983 0.696 0.961 0.702 CB 1.748 179 residues pruned to eliminate duplicates Z: 180 147.437 2.523 1.060 0.706 0.983 0.698 CB 1.788 180 residues pruned to eliminate duplicates Z: 173 135.700 2.541 1.031 0.717 0.942 0.715 CB 1.749 173 residues pruned to eliminate duplicates Z: 123 104.991 2.428 0.992 0.688 0.967 0.762 CB 1.711 123 residues pruned to eliminate duplicates Z: 180 143.111 2.523 1.044 0.696 0.978 0.682 CB 1.774 180 residues pruned to eliminate duplicates Z: 153 122.974 2.516 1.041 0.668 0.941 0.678 CB 1.768 153 residues pruned to eliminate duplicates Z: 181 137.438 2.513 1.004 0.689 0.967 0.672 CB 1.769 181 residues pruned to eliminate duplicates Z: 79 88.104 2.509 1.055 0.654 0.987 0.679 CB 1.698 79 residues pruned to eliminate duplicates Z: 117 114.642 2.541 0.958 0.712 0.991 0.716 CB 1.781 117 residues pruned to eliminate duplicates Z: 229 159.215 2.516 1.114 0.710 0.947 0.667 CB 1.728 229 residues pruned to eliminate duplicates Z: 177 152.800 2.525 1.183 0.756 0.960 0.642 CB 1.733 177 residues pruned to eliminate duplicates Z: 230 165.622 2.516 1.146 0.714 0.961 0.681 CB 1.738 230 residues pruned to eliminate duplicates Z: 45 80.941 2.538 1.097 0.809 0.977 0.682 CB 1.792 45 residues pruned to eliminate duplicates Z: 91 97.561 2.497 1.051 0.708 0.944 0.656 CB 1.760 91 residues pruned to eliminate duplicates Z: 215 171.950 2.538 1.220 0.735 0.967 0.696 CB 1.748 218 residues pruned to eliminate duplicates Z: 18 32.893 2.345 0.709 0.855 1.000 0.647 CB 1.469 18 residues pruned to eliminate duplicates Z: 75 93.677 2.556 1.037 0.706 0.973 0.743 CB 1.782 75 residues pruned to eliminate duplicates Z: 34 68.114 2.532 1.082 0.800 1.000 0.697 CB 1.730 34 residues pruned to eliminate duplicates Z: 90 105.640 2.532 1.067 0.737 0.966 0.674 CB 1.791 90 residues pruned to eliminate duplicates Z: 90 91.950 2.459 1.014 0.691 0.955 0.640 CB 1.730 90 residues pruned to eliminate duplicates Z: 231 167.787 2.508 1.198 0.714 0.957 0.600 CB 1.729 231 residues pruned to eliminate duplicates Z: 49 68.582 2.400 1.043 0.751 0.958 0.688 CB 1.685 49 residues pruned to eliminate duplicates Z: 45 81.802 2.509 1.188 0.804 0.955 0.705 CB 1.805 45 residues pruned to eliminate duplicates Z: 119 118.982 2.525 1.107 0.703 0.975 0.653 CB 1.756 119 residues pruned to eliminate duplicates Z: 230 160.899 2.493 1.180 0.701 0.952 0.576 CB 1.712 230 residues pruned to eliminate duplicates Z: 231 162.984 2.511 1.164 0.706 0.948 0.609 CB 1.730 231 residues pruned to eliminate duplicates Z: 226 163.011 2.508 1.149 0.704 0.969 0.627 CB 1.729 226 residues pruned to eliminate duplicates Z: 231 169.894 2.517 1.198 0.712 0.961 0.626 CB 1.739 228 residues pruned to eliminate duplicates Z: 43 76.881 2.485 1.074 0.856 0.976 0.786 CB 1.739 43 residues pruned to eliminate duplicates Z: 91 100.876 2.497 1.069 0.725 0.944 0.656 CB 1.780 91 residues pruned to eliminate duplicates Z: 24 72.178 2.618 1.051 0.947 1.000 0.870 CB 1.936 24 residues pruned to eliminate duplicates Z: 228 164.907 2.511 1.174 0.701 0.960 0.608 CB 1.738 228 residues pruned to eliminate duplicates Z: 230 169.543 2.519 1.166 0.710 0.983 0.633 CB 1.728 230 residues pruned to eliminate duplicates Z: 230 169.945 2.517 1.178 0.720 0.969 0.699 CB 1.731 230 residues pruned to eliminate duplicates Z: 46 93.867 2.520 1.324 0.817 1.000 0.822 CB 1.815 46 residues pruned to eliminate duplicates Z: 25 77.866 2.608 1.147 0.943 1.000 0.833 CA 1.968 25 residues pruned to eliminate duplicates Z: 47 81.981 2.503 1.176 0.784 0.957 0.696 CB 1.808 47 residues pruned to eliminate duplicates Z: 47 84.460 2.501 1.241 0.782 0.978 0.717 CB 1.772 47 residues pruned to eliminate duplicates Z: 46 85.242 2.522 1.176 0.808 0.978 0.822 CB 1.811 46 residues pruned to eliminate duplicates Z: 47 80.076 2.497 1.205 0.783 0.957 0.804 CB 1.747 47 residues pruned to eliminate duplicates Z: 230 172.005 2.524 1.204 0.717 0.961 0.616 CB 1.748 230 residues pruned to eliminate duplicates Z: 48 80.314 2.506 1.232 0.758 0.979 0.702 CB 1.701 48 residues pruned to eliminate duplicates Z: 218 181.173 2.548 1.269 0.736 0.982 0.618 CB 1.753 218 residues pruned to eliminate duplicates Z: 229 165.012 2.501 1.210 0.709 0.956 0.561 CB 1.710 229 residues pruned to eliminate duplicates Z: 230 176.349 2.527 1.255 0.713 0.974 0.581 CB 1.731 230 residues pruned to eliminate duplicates Z: 229 173.634 2.526 1.211 0.721 0.965 0.618 CB 1.747 229 residues pruned to eliminate duplicates Z: 47 86.472 2.500 1.309 0.784 0.978 0.609 CB 1.758 47 residues pruned to eliminate duplicates Z: 17 60.532 2.563 1.300 0.911 0.938 0.812 CB 1.941 17 residues pruned to eliminate duplicates Z: 90 112.035 2.529 1.223 0.724 0.978 0.629 CB 1.765 90 residues pruned to eliminate duplicates Z: 90 112.714 2.529 1.220 0.730 0.978 0.618 CB 1.770 90 residues pruned to eliminate duplicates Z: 19 60.368 2.548 1.359 0.850 0.944 0.722 CB 1.857 19 residues pruned to eliminate duplicates Z: 26 80.695 2.528 1.430 0.917 0.960 0.520 CB 1.931 26 residues pruned to eliminate duplicates Z: 35 53.379 2.562 0.752 0.669 0.941 0.647 CB 1.853 35 residues pruned to eliminate duplicates Z: 184 152.057 2.548 1.186 0.679 0.967 0.568 CB 1.769 184 residues pruned to eliminate duplicates Z: 44 63.304 2.534 0.829 0.666 0.953 0.581 CB 1.874 44 residues pruned to eliminate duplicates Z: 187 158.192 2.549 1.226 0.697 0.968 0.618 CB 1.764 187 residues pruned to eliminate duplicates Z: 119 117.512 2.498 1.121 0.707 0.958 0.636 CB 1.766 119 residues pruned to eliminate duplicates Z: 168 155.825 2.581 1.229 0.699 0.970 0.575 CB 1.802 168 residues pruned to eliminate duplicates Z: 50 61.979 2.492 0.979 0.639 0.939 0.510 CB 1.679 50 residues pruned to eliminate duplicates Z: 170 162.394 2.601 1.237 0.718 0.970 0.586 CB 1.816 168 residues pruned to eliminate duplicates Z: 21 46.327 2.354 0.992 0.845 0.950 0.750 CA 1.728 21 residues pruned to eliminate duplicates Z: 184 150.745 2.537 1.207 0.687 0.962 0.525 CB 1.743 183 residues pruned to eliminate duplicates Z: 17 40.696 2.451 0.940 0.783 0.875 0.688 CA 1.906 17 residues pruned to eliminate duplicates Z: 49 59.201 2.415 0.908 0.620 0.938 0.583 CB 1.766 49 residues pruned to eliminate duplicates Z: 42 51.629 2.477 0.974 0.545 0.878 0.439 CB 1.798 42 residues pruned to eliminate duplicates Z: 43 62.304 2.510 0.897 0.655 0.929 0.595 CB 1.882 43 residues pruned to eliminate duplicates Z: 48 63.126 2.445 1.043 0.641 0.894 0.596 CB 1.808 48 residues pruned to eliminate duplicates Z: 183 157.784 2.571 1.217 0.694 0.967 0.544 CB 1.778 40 residues pruned to eliminate duplicates Z: 8 9.533 1.794 0.630 0.551 0.857 0.857 CA 1.368 Z: 7 3.263 1.567 0.397 0.531 0.667 0.500 CA 0.885 7 residues pruned to eliminate duplicates Z: 46 65.652 2.556 0.868 0.638 0.933 0.622 CB 1.929 54 residues pruned to eliminate duplicates Z: 45 66.827 2.546 0.994 0.681 0.932 0.591 CB 1.803 45 residues pruned to eliminate duplicates Z: 21 40.025 2.489 1.029 0.517 0.950 0.700 CB 1.834 20 residues pruned to eliminate duplicates Z: 11 35.620 2.430 1.032 0.783 1.000 0.700 CB 1.778 11 residues pruned to eliminate duplicates Z: 92 91.701 2.427 1.008 0.707 0.945 0.593 CB 1.730 92 residues pruned to eliminate duplicates Z: 183 145.002 2.554 1.118 0.683 0.951 0.599 CB 1.768 183 residues pruned to eliminate duplicates Z: 29 56.790 2.623 1.011 0.626 0.964 0.679 CB 1.873 29 residues pruned to eliminate duplicates Z: 181 143.258 2.553 1.050 0.691 0.961 0.678 CB 1.781 181 residues pruned to eliminate duplicates Z: 181 145.874 2.571 1.072 0.680 0.961 0.667 CB 1.800 106 residues pruned to eliminate duplicates Z: 7 4.403 1.950 0.540 0.300 0.500 0.500 CA 1.497 7 residues pruned to eliminate duplicates Z: 71 81.446 2.550 1.017 0.624 0.957 0.571 CB 1.759 71 residues pruned to eliminate duplicates Z: 182 149.407 2.557 1.102 0.680 0.972 0.663 CB 1.802 182 residues pruned to eliminate duplicates Z: 78 86.238 2.553 0.964 0.655 0.961 0.675 CB 1.767 78 residues pruned to eliminate duplicates Z: 70 73.342 2.527 0.892 0.614 0.942 0.638 CB 1.760 70 residues pruned to eliminate duplicates Z: 144 131.207 2.587 1.060 0.701 0.965 0.706 CB 1.776 144 residues pruned to eliminate duplicates Z: 70 88.217 2.562 1.055 0.631 0.986 0.536 CB 1.810 71 residues pruned to eliminate duplicates Z: 7 9.373 2.008 0.670 0.689 0.833 0.333 CA 1.151 Z: 6 12.579 2.164 0.625 0.652 1.000 0.200 CA 1.389 6 residues pruned to eliminate duplicates Z: 7 11.036 2.072 0.583 0.548 1.000 0.500 CA 1.311 7 residues pruned to eliminate duplicates Z: 7 8.499 2.241 0.195 0.449 0.833 0.500 CB 1.640 7 residues pruned to eliminate duplicates Z: 183 150.813 2.566 1.056 0.711 0.978 0.648 CB 1.789 189 residues pruned to eliminate duplicates Z: 7 10.751 1.975 0.663 0.657 0.833 0.667 CB 1.386 Z: 6 11.864 2.199 0.645 0.592 1.000 0.800 CA 1.344 7 residues pruned to eliminate duplicates Z: 6 11.238 2.137 0.603 0.574 1.000 0.800 CA 1.366 6 residues pruned to eliminate duplicates Z: 8 8.909 1.951 0.553 0.445 1.000 0.571 CA 1.175 8 residues pruned to eliminate duplicates Z: 105 122.504 2.571 1.098 0.750 0.981 0.750 CB 1.816 111 residues pruned to eliminate duplicates Z: 69 81.756 2.560 0.995 0.614 0.971 0.618 CB 1.795 69 residues pruned to eliminate duplicates Z: 143 129.316 2.555 1.061 0.709 0.972 0.690 CB 1.753 143 residues pruned to eliminate duplicates Z: 181 149.961 2.561 1.063 0.705 0.978 0.672 CB 1.796 181 residues pruned to eliminate duplicates Z: 131 123.923 2.567 1.044 0.731 0.946 0.792 CB 1.779 131 residues pruned to eliminate duplicates Z: 181 133.219 2.534 0.967 0.687 0.950 0.678 CB 1.766 181 residues pruned to eliminate duplicates Z: 119 108.316 2.564 0.971 0.641 0.958 0.661 CB 1.806 78 residues pruned to eliminate duplicates Z: 6 6.262 1.641 0.726 0.644 1.000 0.400 CA 0.864 Z: 26 53.105 2.405 0.992 0.792 1.000 0.840 CB 1.716 32 residues pruned to eliminate duplicates Z: 219 154.329 2.522 1.086 0.715 0.950 0.665 CB 1.722 219 residues pruned to eliminate duplicates Z: 181 148.121 2.561 1.118 0.694 0.950 0.656 CB 1.794 181 residues pruned to eliminate duplicates Z: 69 77.438 2.546 1.009 0.600 0.941 0.676 CB 1.773 69 residues pruned to eliminate duplicates Z: 65 93.798 2.605 1.086 0.714 0.984 0.750 CB 1.806 65 residues pruned to eliminate duplicates Z: 132 128.699 2.573 1.042 0.733 0.969 0.748 CB 1.789 67 residues pruned to eliminate duplicates Z: 22 66.481 2.548 1.227 0.875 1.000 0.762 CA 1.860 22 residues pruned to eliminate duplicates Z: 115 102.625 2.538 0.990 0.627 0.939 0.658 CB 1.799 115 residues pruned to eliminate duplicates Z: 81 92.355 2.549 1.029 0.666 0.975 0.650 CB 1.756 81 residues pruned to eliminate duplicates Z: 184 146.204 2.545 1.073 0.690 0.962 0.710 CB 1.791 185 residues pruned to eliminate duplicates Z: 22 64.783 2.545 1.172 0.865 1.000 0.714 CA 1.874 22 residues pruned to eliminate duplicates Z: 146 127.433 2.534 1.129 0.698 0.931 0.710 CB 1.758 143 residues pruned to eliminate duplicates Z: 22 66.490 2.538 1.246 0.859 1.000 0.762 CA 1.873 22 residues pruned to eliminate duplicates Z: 174 121.890 2.492 1.072 0.642 0.931 0.653 CB 1.689 120 residues pruned to eliminate duplicates Z: 22 56.319 2.481 1.281 0.852 0.952 0.762 CA 1.687 22 residues pruned to eliminate duplicates Z: 144 124.402 2.550 1.017 0.697 0.965 0.685 CB 1.750 144 residues pruned to eliminate duplicates Z: 158 128.806 2.539 1.071 0.709 0.917 0.688 CB 1.764 158 residues pruned to eliminate duplicates Z: 129 131.408 2.586 1.119 0.733 0.969 0.742 CB 1.775 133 residues pruned to eliminate duplicates Z: 22 66.548 2.563 1.215 0.884 1.000 0.762 CA 1.849 22 residues pruned to eliminate duplicates Z: 107 114.563 2.558 1.042 0.744 0.962 0.783 CB 1.779 107 residues pruned to eliminate duplicates Z: 126 115.480 2.555 0.953 0.667 0.976 0.704 CB 1.818 126 residues pruned to eliminate duplicates Z: 144 135.947 2.556 1.173 0.698 0.965 0.678 CB 1.771 144 residues pruned to eliminate duplicates Z: 182 140.513 2.526 1.046 0.693 0.961 0.685 CB 1.762 182 residues pruned to eliminate duplicates Z: 179 143.233 2.556 1.089 0.670 0.961 0.640 CB 1.788 179 residues pruned to eliminate duplicates Z: 158 129.729 2.522 1.067 0.681 0.943 0.650 CB 1.783 158 residues pruned to eliminate duplicates Z: 179 143.134 2.554 1.155 0.664 0.949 0.579 CB 1.764 179 residues pruned to eliminate duplicates Z: 114 112.152 2.565 1.080 0.650 0.947 0.619 CB 1.817 114 residues pruned to eliminate duplicates Z: 80 92.829 2.553 1.051 0.669 0.975 0.684 CB 1.751 80 residues pruned to eliminate duplicates Z: 118 122.507 2.548 1.072 0.708 0.991 0.675 CB 1.791 118 residues pruned to eliminate duplicates Z: 80 95.871 2.562 1.117 0.660 0.975 0.722 CB 1.759 80 residues pruned to eliminate duplicates Z: 185 138.182 2.546 1.025 0.675 0.946 0.647 CB 1.779 185 residues pruned to eliminate duplicates Z: 142 135.886 2.569 1.167 0.718 0.965 0.695 CB 1.750 142 residues pruned to eliminate duplicates Z: 171 146.978 2.565 1.181 0.728 0.941 0.653 CB 1.743 171 residues pruned to eliminate duplicates Z: 142 132.567 2.560 1.218 0.697 0.929 0.702 CB 1.768 142 residues pruned to eliminate duplicates Z: 121 112.312 2.558 0.999 0.656 0.967 0.708 CB 1.795 121 residues pruned to eliminate duplicates Z: 182 150.894 2.570 1.172 0.690 0.945 0.669 CB 1.787 182 residues pruned to eliminate duplicates Z: 183 154.078 2.572 1.146 0.699 0.967 0.654 CB 1.784 183 residues pruned to eliminate duplicates Z: 182 147.936 2.567 1.099 0.693 0.961 0.669 CB 1.780 57 residues pruned to eliminate duplicates Z: 30 62.279 2.552 0.968 0.923 0.966 0.862 CB 1.675 30 residues pruned to eliminate duplicates Z: 182 144.841 2.561 1.160 0.678 0.945 0.624 CB 1.749 182 residues pruned to eliminate duplicates Z: 150 126.483 2.518 1.119 0.678 0.953 0.658 CB 1.730 150 residues pruned to eliminate duplicates Z: 79 94.583 2.546 1.202 0.660 0.949 0.564 CB 1.735 79 residues pruned to eliminate duplicates Z: 144 133.375 2.575 1.139 0.700 0.965 0.615 CB 1.749 144 residues pruned to eliminate duplicates Z: 145 137.462 2.546 1.189 0.708 0.979 0.674 CB 1.737 145 residues pruned to eliminate duplicates Z: 185 145.595 2.540 1.173 0.696 0.929 0.565 CB 1.750 185 residues pruned to eliminate duplicates Z: 179 147.500 2.569 1.112 0.681 0.955 0.590 CB 1.806 179 residues pruned to eliminate duplicates Z: 184 151.255 2.546 1.156 0.682 0.973 0.568 CB 1.771 184 residues pruned to eliminate duplicates Z: 181 151.569 2.568 1.175 0.678 0.961 0.572 CB 1.787 181 residues pruned to eliminate duplicates Z: 118 124.965 2.562 1.216 0.700 0.974 0.658 CB 1.741 118 residues pruned to eliminate duplicates Z: 184 150.582 2.564 1.124 0.700 0.962 0.639 CB 1.771 143 residues pruned to eliminate duplicates Z: 31 76.273 2.531 1.346 0.926 0.967 0.600 CB 1.702 31 residues pruned to eliminate duplicates Z: 146 136.010 2.558 1.163 0.694 0.945 0.607 CB 1.810 141 residues pruned to eliminate duplicates Z: 31 90.057 2.570 1.644 0.932 0.967 0.767 CB 1.748 31 residues pruned to eliminate duplicates Z: 181 148.968 2.562 1.143 0.699 0.956 0.606 CB 1.765 181 residues pruned to eliminate duplicates Z: 118 127.687 2.556 1.253 0.711 0.966 0.564 CB 1.752 118 residues pruned to eliminate duplicates Z: 230 162.951 2.513 1.157 0.711 0.956 0.642 CB 1.716 230 residues pruned to eliminate duplicates Z: 184 155.781 2.573 1.213 0.695 0.956 0.585 CB 1.770 184 residues pruned to eliminate duplicates Z: 176 149.204 2.550 1.209 0.684 0.949 0.554 CB 1.783 176 residues pruned to eliminate duplicates Z: 181 146.516 2.559 1.177 0.678 0.944 0.600 CB 1.762 181 residues pruned to eliminate duplicates Z: 182 159.901 2.569 1.249 0.686 0.967 0.597 CB 1.794 182 residues pruned to eliminate duplicates Z: 145 135.058 2.552 1.221 0.697 0.958 0.632 CB 1.731 145 residues pruned to eliminate duplicates Z: 185 150.912 2.559 1.192 0.700 0.951 0.614 CB 1.738 185 residues pruned to eliminate duplicates Z: 143 139.197 2.560 1.297 0.699 0.937 0.556 CB 1.768 143 residues pruned to eliminate duplicates Z: 144 139.488 2.579 1.249 0.703 0.951 0.566 CB 1.759 144 residues pruned to eliminate duplicates Z: 185 149.564 2.543 1.186 0.711 0.940 0.576 CB 1.742 185 residues pruned to eliminate duplicates Z: 163 156.497 2.600 1.261 0.737 0.951 0.630 CB 1.779 163 residues pruned to eliminate duplicates Z: 183 155.023 2.563 1.207 0.698 0.951 0.593 CB 1.784 183 residues pruned to eliminate duplicates Z: 184 151.017 2.545 1.210 0.695 0.945 0.530 CB 1.758 184 residues pruned to eliminate duplicates Z: 47 70.564 2.510 1.149 0.739 0.891 0.630 CB 1.747 47 residues pruned to eliminate duplicates Z: 179 144.316 2.544 1.183 0.681 0.938 0.573 CB 1.758 179 residues pruned to eliminate duplicates Z: 133 145.900 2.600 1.273 0.740 0.992 0.583 CB 1.746 133 residues pruned to eliminate duplicates Z: 184 147.188 2.539 1.172 0.692 0.945 0.563 CB 1.752 184 residues pruned to eliminate duplicates Z: 129 138.271 2.589 1.270 0.735 0.953 0.602 CB 1.767 129 residues pruned to eliminate duplicates Z: 176 140.442 2.549 1.136 0.687 0.949 0.560 CB 1.732 176 residues pruned to eliminate duplicates Z: 145 137.275 2.560 1.222 0.692 0.965 0.576 CB 1.747 145 residues pruned to eliminate duplicates Z: 144 139.846 2.547 1.317 0.697 0.951 0.601 CB 1.741 144 residues pruned to eliminate duplicates Z: 155 146.931 2.568 1.244 0.712 0.974 0.571 CB 1.740 155 residues pruned to eliminate duplicates Z: 176 153.872 2.561 1.269 0.686 0.960 0.623 CB 1.758 176 residues pruned to eliminate duplicates Z: 46 80.438 2.478 1.329 0.754 0.956 0.689 CB 1.734 46 residues pruned to eliminate duplicates Z: 184 151.395 2.567 1.204 0.693 0.940 0.590 CB 1.765 184 residues pruned to eliminate duplicates Z: 131 140.458 2.572 1.329 0.723 0.962 0.569 CB 1.750 131 residues pruned to eliminate duplicates Z: 147 137.261 2.554 1.274 0.688 0.952 0.575 CB 1.730 147 residues pruned to eliminate duplicates Z: 181 149.641 2.552 1.234 0.665 0.950 0.606 CB 1.768 181 residues pruned to eliminate duplicates Z: 129 147.275 2.590 1.354 0.741 0.977 0.555 CB 1.762 129 residues pruned to eliminate duplicates Z: 184 147.908 2.559 1.228 0.694 0.918 0.601 CB 1.748 184 residues pruned to eliminate duplicates Z: 144 133.955 2.564 1.239 0.695 0.937 0.566 CB 1.743 144 residues pruned to eliminate duplicates Z: 119 117.855 2.546 1.149 0.697 0.949 0.585 CB 1.746 119 residues pruned to eliminate duplicates Z: 145 142.774 2.549 1.306 0.690 0.979 0.625 CB 1.737 145 residues pruned to eliminate duplicates Z: 156 137.684 2.555 1.300 0.660 0.935 0.587 CB 1.735 156 residues pruned to eliminate duplicates Z: 30 49.749 2.536 1.264 0.609 0.862 0.690 CB 1.683 30 residues pruned to eliminate duplicates Z: 186 147.573 2.539 1.196 0.696 0.930 0.600 CB 1.749 186 residues pruned to eliminate duplicates Z: 172 151.326 2.573 1.247 0.713 0.936 0.556 CB 1.763 172 residues pruned to eliminate duplicates Z: 31 58.919 2.547 1.416 0.606 0.933 0.533 CB 1.694 31 residues pruned to eliminate duplicates Z: 183 149.963 2.551 1.201 0.673 0.945 0.588 CB 1.785 183 residues pruned to eliminate duplicates Z: 182 158.391 2.572 1.230 0.702 0.978 0.613 CB 1.747 182 residues pruned to eliminate duplicates Z: 32 53.300 2.502 1.111 0.604 0.935 0.613 CB 1.756 32 residues pruned to eliminate duplicates Z: 186 150.131 2.551 1.181 0.686 0.957 0.638 CB 1.748 186 residues pruned to eliminate duplicates Z: 185 148.653 2.555 1.228 0.686 0.929 0.560 CB 1.747 185 residues pruned to eliminate duplicates Z: 182 154.347 2.567 1.208 0.712 0.950 0.564 CB 1.758 182 residues pruned to eliminate duplicates Z: 143 141.812 2.565 1.310 0.714 0.958 0.528 CB 1.728 143 residues pruned to eliminate duplicates Z: 105 117.166 2.541 1.296 0.765 0.933 0.471 CB 1.668 105 residues pruned to eliminate duplicates Z: 77 113.977 2.599 1.389 0.797 0.947 0.566 CB 1.714 77 residues pruned to eliminate duplicates Z: 141 135.435 2.571 1.275 0.705 0.964 0.593 CB 1.684 141 residues pruned to eliminate duplicates Z: 74 79.933 2.514 1.070 0.653 0.918 0.616 CB 1.699 46 residues pruned to eliminate duplicates Z: 17 69.336 2.533 1.612 0.902 1.000 0.625 CB 1.869 17 residues pruned to eliminate duplicates Z: 142 138.011 2.566 1.282 0.691 0.957 0.589 CB 1.740 142 residues pruned to eliminate duplicates Z: 143 138.405 2.561 1.271 0.698 0.958 0.599 CB 1.741 143 residues pruned to eliminate duplicates Z: 141 146.513 2.581 1.320 0.711 0.979 0.643 CB 1.745 141 residues pruned to eliminate duplicates Z: 171 145.954 2.560 1.223 0.699 0.941 0.541 CB 1.744 171 residues pruned to eliminate duplicates Z: 34 48.768 2.434 1.249 0.601 0.879 0.636 CB 1.603 34 residues pruned to eliminate duplicates Z: 22 54.703 2.541 1.502 0.756 0.952 0.619 CB 1.570 22 residues pruned to eliminate duplicates Z: 133 145.164 2.574 1.348 0.727 0.977 0.523 CB 1.743 35 residues pruned to eliminate duplicates Z: 18 62.745 2.571 1.428 0.919 1.000 0.706 CB 1.718 18 residues pruned to eliminate duplicates Z: 184 153.256 2.566 1.170 0.695 0.956 0.574 CB 1.780 184 residues pruned to eliminate duplicates Z: 182 146.520 2.547 1.148 0.689 0.950 0.575 CB 1.762 30 residues pruned to eliminate duplicates Z: 7 8.712 1.825 0.637 0.545 1.000 0.500 CA 1.139 Z: 33 71.049 2.482 1.138 0.798 1.000 0.562 CB 1.824 40 residues pruned to eliminate duplicates Z: 45 68.387 2.527 0.984 0.677 0.955 0.523 CB 1.831 45 residues pruned to eliminate duplicates Z: 170 165.255 2.598 1.292 0.733 0.964 0.592 CB 1.796 171 residues pruned to eliminate duplicates Z: 28 58.807 2.472 1.025 0.860 0.889 0.556 CB 1.869 28 residues pruned to eliminate duplicates Z: 184 164.005 2.581 1.222 0.708 0.978 0.645 CB 1.789 184 residues pruned to eliminate duplicates Z: 182 154.710 2.558 1.220 0.686 0.961 0.580 CB 1.776 182 residues pruned to eliminate duplicates Z: 185 143.823 2.545 1.195 0.686 0.929 0.538 CB 1.721 171 residues pruned to eliminate duplicates Z: 29 57.697 2.356 0.955 0.865 1.000 0.643 CB 1.734 29 residues pruned to eliminate duplicates Z: 36 58.319 2.553 0.997 0.677 0.914 0.629 CB 1.797 36 residues pruned to eliminate duplicates Z: 230 161.819 2.506 1.143 0.699 0.956 0.581 CB 1.737 230 residues pruned to eliminate duplicates Z: 82 97.792 2.466 1.114 0.723 0.975 0.728 CB 1.748 82 residues pruned to eliminate duplicates Z: 37 54.064 2.353 1.105 0.744 0.972 0.694 CB 1.504 14 residues pruned to eliminate duplicates Z: 18 40.889 2.319 1.047 0.871 1.000 0.588 CB 1.523 18 residues pruned to eliminate duplicates Z: 231 172.620 2.528 1.184 0.709 0.974 0.630 CB 1.751 231 residues pruned to eliminate duplicates Z: 48 64.716 2.340 1.089 0.779 0.915 0.723 CB 1.651 35 residues pruned to eliminate duplicates Z: 18 40.227 2.315 1.132 0.877 1.000 0.588 CB 1.435 23 residues pruned to eliminate duplicates Z: 18 41.312 2.334 1.120 0.873 1.000 0.529 CB 1.475 18 residues pruned to eliminate duplicates Z: 231 168.383 2.514 1.231 0.703 0.952 0.600 CB 1.728 231 residues pruned to eliminate duplicates Z: 49 73.708 2.338 1.210 0.794 0.958 0.667 CB 1.660 50 residues pruned to eliminate duplicates Z: 18 41.108 2.344 1.193 0.870 0.941 0.529 CB 1.504 18 residues pruned to eliminate duplicates Z: 69 86.784 2.500 1.067 0.718 0.985 0.706 CB 1.697 69 residues pruned to eliminate duplicates Z: 46 63.936 2.320 1.081 0.773 0.956 0.622 CB 1.623 46 residues pruned to eliminate duplicates Z: 22 29.974 2.034 0.973 0.815 0.952 0.476 CB 1.301 22 residues pruned to eliminate duplicates Z: 48 65.573 2.341 1.207 0.772 0.915 0.638 CB 1.591 48 residues pruned to eliminate duplicates Z: 20 42.203 2.329 1.199 0.776 1.000 0.526 CB 1.482 20 residues pruned to eliminate duplicates 453 residues left after pruning, divided into chains as follows: A: 180 B: 48 C: 181 D: 44 CC for partial structure against native data = 45.84 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.812, Connect. = 0.769 for dens.mod. cycle 1 = 0.300, Contrast = 0.940, Connect. = 0.800 for dens.mod. cycle 2 = 0.300, Contrast = 1.150, Connect. = 0.824 for dens.mod. cycle 3 = 0.300, Contrast = 1.198, Connect. = 0.827 for dens.mod. cycle 4 = 0.300, Contrast = 1.236, Connect. = 0.828 for dens.mod. cycle 5 = 0.300, Contrast = 1.255, Connect. = 0.830 for dens.mod. cycle 6 = 0.300, Contrast = 1.270, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.278, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.284, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.286, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3042 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 600 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 25.274 2.313 0.905 0.855 0.900 0.800 CB 1.488 B: 12 24.602 2.161 0.614 0.878 1.000 0.818 CB 1.544 12 residues pruned to eliminate duplicates C: 11 35.571 2.464 1.027 0.907 1.000 0.900 CB 1.601 D: 26 74.685 2.516 1.269 0.948 0.960 0.800 CA 1.882 E: 22 59.187 2.513 1.152 0.878 0.952 0.857 CA 1.819 F: 32 62.776 2.412 1.259 0.884 0.968 0.613 CB 1.545 G: 22 51.694 2.484 0.926 0.862 0.952 0.762 CA 1.818 22 residues pruned to eliminate duplicates H: 24 68.174 2.636 1.154 0.913 0.957 0.565 CB 1.853 I: 19 61.376 2.508 1.207 0.907 1.000 0.889 CB 1.858 J: 11 34.729 2.428 1.071 0.894 1.000 0.700 CB 1.567 11 residues pruned to eliminate duplicates K: 22 63.201 2.541 1.161 0.855 1.000 0.810 CB 1.854 L: 18 51.517 2.514 1.030 0.897 1.000 0.882 CB 1.753 18 residues pruned to eliminate duplicates M: 19 62.746 2.568 1.282 0.893 0.944 0.556 CA 1.918 18 residues pruned to eliminate duplicates N: 26 70.213 2.485 1.240 0.898 1.000 0.600 CB 1.805 25 residues pruned to eliminate duplicates O: 26 75.664 2.494 1.264 0.944 1.000 0.600 CA 1.856 26 residues pruned to eliminate duplicates P: 26 73.801 2.525 1.363 0.926 0.920 0.560 CA 1.885 26 residues pruned to eliminate duplicates Q: 31 61.702 2.516 0.904 0.943 0.967 0.867 CB 1.685 R: 26 74.195 2.558 1.201 0.936 0.960 0.920 CA 1.913 26 residues pruned to eliminate duplicates S: 11 31.716 2.347 1.043 0.886 1.000 0.600 CB 1.510 11 residues pruned to eliminate duplicates T: 18 52.642 2.478 1.022 0.895 1.000 0.765 CB 1.826 18 residues pruned to eliminate duplicates U: 11 26.265 2.252 0.913 0.890 1.000 0.900 CB 1.387 11 residues pruned to eliminate duplicates V: 22 53.458 2.443 0.993 0.854 1.000 0.762 CA 1.770 22 residues pruned to eliminate duplicates W: 26 59.841 2.484 0.917 0.939 0.960 0.840 CA 1.820 26 residues pruned to eliminate duplicates X: 10 35.450 2.689 0.739 0.902 1.000 1.000 CB 1.803 10 residues pruned to eliminate duplicates Y: 31 68.810 2.501 1.260 0.901 0.967 0.600 CB 1.641 32 residues pruned to eliminate duplicates Z: 26 69.870 2.502 1.174 0.942 0.960 0.760 CA 1.856 26 residues pruned to eliminate duplicates Z: 27 79.606 2.447 1.381 0.928 1.000 0.692 CB 1.877 27 residues pruned to eliminate duplicates Z: 11 30.222 2.448 0.748 0.906 1.000 0.900 CB 1.589 12 residues pruned to eliminate duplicates Z: 16 47.283 2.639 1.141 0.713 0.933 0.467 CB 1.909 Z: 25 81.823 2.569 1.335 0.956 0.958 0.833 CA 1.996 25 residues pruned to eliminate duplicates Z: 23 53.034 2.443 1.011 0.875 0.955 0.727 CA 1.753 22 residues pruned to eliminate duplicates Z: 11 36.214 2.478 0.970 0.819 1.000 0.800 CA 1.778 Z: 25 71.245 2.540 1.052 0.949 1.000 0.958 CB 1.925 25 residues pruned to eliminate duplicates Z: 18 54.338 2.521 1.123 0.934 1.000 0.824 CB 1.717 Z: 20 55.381 2.387 1.110 0.921 1.000 0.842 CB 1.775 19 residues pruned to eliminate duplicates Z: 18 63.906 2.532 1.443 0.951 1.000 0.882 CB 1.727 18 residues pruned to eliminate duplicates Z: 25 91.903 2.590 1.460 0.958 1.000 0.750 CA 2.020 26 residues pruned to eliminate duplicates Z: 19 48.242 2.341 1.024 0.946 1.000 0.889 CB 1.659 19 residues pruned to eliminate duplicates Z: 31 60.295 2.505 0.889 0.945 0.967 0.933 CB 1.665 31 residues pruned to eliminate duplicates Z: 29 55.030 2.424 1.042 0.888 0.929 0.679 CB 1.630 Z: 22 59.420 2.514 1.110 0.879 1.000 0.952 CB 1.773 22 residues pruned to eliminate duplicates Z: 21 60.734 2.602 1.044 0.891 1.000 0.950 CA 1.835 21 residues pruned to eliminate duplicates Z: 25 72.197 2.549 1.356 0.927 0.917 0.458 CB 1.876 25 residues pruned to eliminate duplicates Z: 27 70.915 2.555 1.429 0.942 0.962 0.615 CB 1.617 29 residues pruned to eliminate duplicates Z: 30 63.815 2.521 1.026 0.944 0.966 0.724 CB 1.664 30 residues pruned to eliminate duplicates Z: 19 54.074 2.485 0.973 0.917 1.000 0.889 CB 1.835 19 residues pruned to eliminate duplicates Z: 16 50.361 2.566 0.930 0.932 1.000 0.933 CB 1.833 16 residues pruned to eliminate duplicates Z: 32 57.096 2.371 0.879 0.898 1.000 0.871 CB 1.647 31 residues pruned to eliminate duplicates Z: 18 62.996 2.491 1.609 0.895 0.941 0.765 CB 1.792 18 residues pruned to eliminate duplicates Z: 28 57.968 2.520 0.906 0.951 1.000 0.926 CB 1.600 28 residues pruned to eliminate duplicates Z: 21 63.710 2.531 1.193 0.891 1.000 0.800 CA 1.844 22 residues pruned to eliminate duplicates Z: 27 57.045 2.544 0.950 0.813 0.962 0.769 CB 1.787 Z: 18 67.701 2.545 1.609 0.946 1.000 0.647 CB 1.711 18 residues pruned to eliminate duplicates Z: 27 74.044 2.453 1.485 0.880 0.923 0.423 CB 1.870 27 residues pruned to eliminate duplicates Z: 31 53.090 2.488 0.694 0.942 0.967 0.933 CB 1.650 31 residues pruned to eliminate duplicates Z: 182 148.887 2.548 1.077 0.700 0.978 0.707 CB 1.782 138 residues pruned to eliminate duplicates Z: 18 70.727 2.497 1.691 0.887 1.000 0.706 CB 1.841 18 residues pruned to eliminate duplicates Z: 25 93.931 2.589 1.560 0.951 1.000 0.583 CB 1.993 25 residues pruned to eliminate duplicates Z: 19 50.533 2.464 1.061 0.932 1.000 0.833 CB 1.637 18 residues pruned to eliminate duplicates Z: 22 55.680 2.509 0.986 0.861 1.000 0.905 CB 1.791 22 residues pruned to eliminate duplicates Z: 31 67.067 2.528 1.168 0.921 0.967 0.833 CB 1.627 31 residues pruned to eliminate duplicates Z: 18 71.591 2.566 1.733 0.908 0.941 0.765 CB 1.868 19 residues pruned to eliminate duplicates Z: 32 59.949 2.465 0.937 0.933 0.968 0.871 CB 1.626 32 residues pruned to eliminate duplicates Z: 30 68.682 2.555 1.244 0.936 0.966 0.793 CB 1.604 30 residues pruned to eliminate duplicates Z: 11 27.286 2.441 0.647 0.818 1.000 0.900 CA 1.628 Z: 27 55.031 2.532 0.841 0.820 0.923 0.615 CB 1.899 27 residues pruned to eliminate duplicates Z: 23 51.892 2.429 0.930 0.878 1.000 0.909 CA 1.713 23 residues pruned to eliminate duplicates Z: 17 51.569 2.582 1.081 0.930 1.000 0.938 CB 1.678 17 residues pruned to eliminate duplicates Z: 27 68.904 2.471 1.151 0.901 0.962 0.692 CA 1.888 27 residues pruned to eliminate duplicates Z: 24 86.590 2.607 1.570 0.922 1.000 0.435 CB 1.896 25 residues pruned to eliminate duplicates Z: 18 60.798 2.484 1.251 0.914 1.000 0.882 CB 1.865 18 residues pruned to eliminate duplicates Z: 34 67.267 2.591 0.972 0.721 0.970 0.727 CB 1.935 34 residues pruned to eliminate duplicates Z: 25 76.888 2.548 1.195 0.942 1.000 0.875 CB 1.946 25 residues pruned to eliminate duplicates Z: 22 67.378 2.523 1.434 0.913 0.905 0.619 CB 1.873 22 residues pruned to eliminate duplicates Z: 21 58.600 2.558 1.212 0.875 0.950 0.600 CB 1.772 21 residues pruned to eliminate duplicates Z: 27 73.157 2.542 1.161 0.944 1.000 0.885 CB 1.808 27 residues pruned to eliminate duplicates Z: 29 56.924 2.544 0.778 0.955 0.964 0.929 CB 1.695 29 residues pruned to eliminate duplicates Z: 19 50.540 2.457 1.187 0.898 0.889 0.611 CB 1.784 19 residues pruned to eliminate duplicates Z: 25 87.873 2.591 1.515 0.953 0.958 0.542 CB 1.977 25 residues pruned to eliminate duplicates Z: 15 52.650 2.554 0.901 0.940 1.000 0.929 CA 2.013 15 residues pruned to eliminate duplicates Z: 32 53.945 2.443 0.777 0.878 0.968 0.839 CB 1.674 32 residues pruned to eliminate duplicates Z: 11 32.588 2.451 0.867 0.889 1.000 0.900 CB 1.621 10 residues pruned to eliminate duplicates Z: 16 29.676 2.438 0.672 0.723 0.867 0.800 CA 1.773 16 residues pruned to eliminate duplicates Z: 19 37.418 2.256 0.784 0.868 1.000 0.556 CB 1.602 Z: 28 72.937 2.473 1.435 0.912 1.000 0.444 CB 1.651 28 residues pruned to eliminate duplicates Z: 11 21.729 2.165 0.776 0.847 0.900 0.700 CB 1.473 11 residues pruned to eliminate duplicates Z: 27 74.130 2.535 1.366 0.930 0.962 0.615 CB 1.762 27 residues pruned to eliminate duplicates Z: 26 83.984 2.538 1.457 0.919 0.960 0.640 CA 1.978 26 residues pruned to eliminate duplicates Z: 22 46.815 2.515 0.759 0.947 0.952 0.810 CB 1.676 22 residues pruned to eliminate duplicates Z: 26 66.405 2.513 1.015 0.893 0.960 0.800 CA 1.962 26 residues pruned to eliminate duplicates Z: 28 55.940 2.459 0.893 0.850 0.963 0.630 CB 1.780 28 residues pruned to eliminate duplicates Z: 31 78.112 2.529 1.457 0.928 0.967 0.600 CB 1.663 31 residues pruned to eliminate duplicates Z: 17 42.831 2.459 0.749 0.898 0.938 0.812 CB 1.900 17 residues pruned to eliminate duplicates Z: 16 75.169 2.698 1.722 0.947 1.000 1.000 CB 1.827 16 residues pruned to eliminate duplicates Z: 28 64.102 2.345 1.232 0.917 1.000 0.481 CB 1.663 Z: 22 63.213 2.524 1.244 0.860 1.000 0.714 CB 1.790 22 residues pruned to eliminate duplicates Z: 22 63.371 2.539 1.292 0.848 0.952 0.667 CB 1.851 22 residues pruned to eliminate duplicates Z: 31 69.955 2.468 1.263 0.948 1.000 0.667 CB 1.580 31 residues pruned to eliminate duplicates Z: 19 34.697 2.309 1.028 0.814 0.889 0.611 CB 1.496 19 residues pruned to eliminate duplicates Z: 24 83.659 2.629 1.309 0.945 1.000 0.957 CB 1.989 24 residues pruned to eliminate duplicates Z: 31 68.754 2.551 1.161 0.939 0.967 0.767 CB 1.636 31 residues pruned to eliminate duplicates Z: 32 55.648 2.430 0.911 0.890 0.968 0.871 CB 1.600 32 residues pruned to eliminate duplicates Z: 27 70.230 2.524 1.169 0.940 1.000 0.846 CB 1.747 27 residues pruned to eliminate duplicates Z: 22 63.762 2.521 1.260 0.859 0.952 0.762 CA 1.886 22 residues pruned to eliminate duplicates Z: 21 55.251 2.550 0.910 0.885 1.000 0.700 CA 1.832 21 residues pruned to eliminate duplicates Z: 26 55.373 2.520 1.105 0.790 0.880 0.560 CB 1.840 26 residues pruned to eliminate duplicates Z: 18 56.214 2.517 1.246 0.921 1.000 0.941 CB 1.698 18 residues pruned to eliminate duplicates Z: 28 60.678 2.444 1.118 0.861 0.963 0.593 CB 1.722 28 residues pruned to eliminate duplicates Z: 28 65.799 2.377 1.308 0.939 0.963 0.593 CB 1.665 28 residues pruned to eliminate duplicates Z: 15 38.508 2.678 0.835 0.787 0.857 0.571 CA 1.900 15 residues pruned to eliminate duplicates Z: 11 33.320 2.416 0.900 0.794 1.000 0.800 CA 1.775 11 residues pruned to eliminate duplicates Z: 28 62.095 2.412 1.192 0.908 0.926 0.593 CB 1.733 28 residues pruned to eliminate duplicates Z: 17 75.270 2.644 1.727 0.948 1.000 0.562 CB 1.802 17 residues pruned to eliminate duplicates Z: 30 70.852 2.539 1.230 0.926 1.000 0.586 CB 1.630 30 residues pruned to eliminate duplicates Z: 26 66.958 2.548 1.018 0.847 1.000 0.600 CB 1.933 27 residues pruned to eliminate duplicates Z: 28 58.103 2.450 0.921 0.921 1.000 0.852 CB 1.672 28 residues pruned to eliminate duplicates Z: 19 56.733 2.549 1.318 0.863 0.889 0.722 CB 1.868 17 residues pruned to eliminate duplicates Z: 12 31.824 2.434 0.823 0.844 0.909 0.455 CB 1.770 12 residues pruned to eliminate duplicates Z: 30 70.985 2.553 1.430 0.957 0.966 0.517 CB 1.511 29 residues pruned to eliminate duplicates Z: 24 48.720 2.363 1.416 0.941 0.870 0.304 CB 1.420 24 residues pruned to eliminate duplicates Z: 31 77.768 2.546 1.450 0.953 0.967 0.367 CB 1.620 32 residues pruned to eliminate duplicates Z: 30 55.755 2.528 0.688 0.920 1.000 0.931 CB 1.708 30 residues pruned to eliminate duplicates Z: 27 57.116 2.418 0.840 0.907 0.962 0.769 CA 1.860 27 residues pruned to eliminate duplicates Z: 23 79.501 2.638 1.410 0.932 0.955 0.591 CB 1.950 23 residues pruned to eliminate duplicates Z: 30 62.779 2.521 1.125 0.947 0.966 0.586 CB 1.557 30 residues pruned to eliminate duplicates Z: 31 70.306 2.515 1.452 0.913 0.900 0.533 CB 1.637 31 residues pruned to eliminate duplicates Z: 19 61.243 2.434 1.295 0.919 1.000 0.944 CB 1.820 20 residues pruned to eliminate duplicates Z: 19 56.112 2.446 1.223 0.890 1.000 0.833 CA 1.750 18 residues pruned to eliminate duplicates Z: 30 66.265 2.540 0.970 0.940 1.000 0.862 CB 1.709 30 residues pruned to eliminate duplicates Z: 26 84.829 2.513 1.561 0.924 1.000 0.400 CB 1.852 27 residues pruned to eliminate duplicates Z: 26 72.104 2.488 1.403 0.903 0.920 0.440 CB 1.869 26 residues pruned to eliminate duplicates Z: 27 62.134 2.526 0.941 0.836 0.962 0.538 CB 1.934 27 residues pruned to eliminate duplicates Z: 19 60.030 2.487 1.193 0.927 1.000 0.833 CB 1.819 19 residues pruned to eliminate duplicates Z: 28 56.095 2.389 0.958 0.839 1.000 0.778 CA 1.725 28 residues pruned to eliminate duplicates Z: 22 48.792 2.495 1.031 0.853 0.905 0.667 CB 1.716 22 residues pruned to eliminate duplicates Z: 30 66.348 2.527 1.095 0.948 0.966 0.862 CB 1.664 30 residues pruned to eliminate duplicates Z: 17 30.447 2.172 0.993 0.804 0.938 0.375 CB 1.439 17 residues pruned to eliminate duplicates Z: 28 55.109 2.399 0.944 0.827 0.963 0.630 CA 1.780 28 residues pruned to eliminate duplicates Z: 47 58.578 2.446 1.086 0.560 0.913 0.587 CB 1.749 47 residues pruned to eliminate duplicates Z: 31 71.327 2.555 1.076 0.941 0.967 0.933 CB 1.763 31 residues pruned to eliminate duplicates Z: 22 50.443 2.385 1.124 0.838 0.905 0.667 CA 1.795 22 residues pruned to eliminate duplicates Z: 31 46.812 2.316 0.808 0.932 0.900 0.733 CB 1.584 31 residues pruned to eliminate duplicates Z: 140 118.756 2.542 1.025 0.623 0.957 0.640 CB 1.820 108 residues pruned to eliminate duplicates Z: 12 25.540 2.300 0.736 0.798 1.000 0.636 CB 1.486 11 residues pruned to eliminate duplicates Z: 31 70.940 2.491 1.406 0.939 0.967 0.433 CB 1.553 30 residues pruned to eliminate duplicates Z: 27 54.485 2.505 0.953 0.841 0.885 0.615 CB 1.841 27 residues pruned to eliminate duplicates Z: 18 55.129 2.487 1.254 0.926 0.941 0.647 CB 1.777 18 residues pruned to eliminate duplicates Z: 21 65.711 2.481 1.611 0.943 0.950 0.200 CB 1.654 21 residues pruned to eliminate duplicates Z: 26 61.071 2.478 0.934 0.894 0.960 0.720 CA 1.904 26 residues pruned to eliminate duplicates Z: 27 57.328 2.431 0.821 0.935 0.962 0.808 CA 1.841 25 residues pruned to eliminate duplicates Z: 28 66.024 2.491 1.240 0.928 0.963 0.667 CB 1.656 28 residues pruned to eliminate duplicates Z: 22 63.573 2.529 1.215 0.897 1.000 0.857 CB 1.772 22 residues pruned to eliminate duplicates Z: 19 31.359 2.324 0.760 0.803 0.944 0.611 CB 1.468 19 residues pruned to eliminate duplicates Z: 11 32.714 2.480 0.895 0.812 1.000 0.800 CA 1.678 12 residues pruned to eliminate duplicates Z: 18 68.061 2.550 1.462 0.925 1.000 0.588 CB 1.845 19 residues pruned to eliminate duplicates Z: 21 61.944 2.536 1.261 0.858 1.000 0.550 CB 1.779 21 residues pruned to eliminate duplicates Z: 26 58.775 2.494 0.999 0.911 0.920 0.800 CA 1.816 26 residues pruned to eliminate duplicates Z: 15 49.263 2.545 1.058 0.923 1.000 0.857 CB 1.766 15 residues pruned to eliminate duplicates Z: 21 58.656 2.549 1.041 0.891 1.000 0.750 CB 1.813 21 residues pruned to eliminate duplicates Z: 22 53.211 2.418 1.107 0.851 0.952 0.571 CB 1.772 22 residues pruned to eliminate duplicates Z: 31 68.755 2.481 1.465 0.941 0.933 0.467 CB 1.526 32 residues pruned to eliminate duplicates Z: 22 57.969 2.522 1.029 0.890 1.000 0.952 CB 1.778 22 residues pruned to eliminate duplicates Z: 26 55.516 2.505 0.843 0.855 0.960 0.680 CB 1.849 26 residues pruned to eliminate duplicates Z: 181 145.439 2.527 1.134 0.686 0.961 0.611 CB 1.763 133 residues pruned to eliminate duplicates Z: 32 72.335 2.486 1.336 0.947 0.968 0.645 CB 1.598 32 residues pruned to eliminate duplicates Z: 12 22.395 2.302 0.718 0.736 0.909 0.545 CA 1.519 12 residues pruned to eliminate duplicates Z: 28 56.061 2.453 0.862 0.837 0.963 0.704 CB 1.834 28 residues pruned to eliminate duplicates Z: 22 66.263 2.556 1.246 0.879 1.000 0.762 CA 1.827 22 residues pruned to eliminate duplicates Z: 27 59.775 2.513 0.970 0.859 0.962 0.615 CB 1.813 27 residues pruned to eliminate duplicates Z: 28 59.458 2.386 1.161 0.934 0.926 0.444 CB 1.672 28 residues pruned to eliminate duplicates Z: 29 49.101 2.277 0.736 0.903 1.000 0.786 CB 1.673 29 residues pruned to eliminate duplicates Z: 32 45.964 2.389 0.625 0.872 0.935 0.871 CB 1.657 32 residues pruned to eliminate duplicates Z: 21 61.720 2.555 1.114 0.875 1.000 0.650 CB 1.859 21 residues pruned to eliminate duplicates Z: 26 52.426 2.362 0.887 0.920 1.000 0.800 CB 1.657 26 residues pruned to eliminate duplicates Z: 7 10.525 1.991 0.303 0.868 1.000 0.833 CB 1.211 7 residues pruned to eliminate duplicates Z: 28 58.339 2.448 1.012 0.851 0.926 0.815 CA 1.823 28 residues pruned to eliminate duplicates Z: 19 35.485 2.393 0.854 0.821 0.944 0.500 CB 1.511 Z: 27 57.138 2.288 1.283 0.895 0.923 0.615 CB 1.666 27 residues pruned to eliminate duplicates Z: 32 65.310 2.444 1.365 0.917 0.935 0.484 CB 1.530 32 residues pruned to eliminate duplicates Z: 20 36.556 2.181 1.016 0.867 0.947 0.474 CB 1.473 20 residues pruned to eliminate duplicates Z: 31 67.724 2.508 1.358 0.945 0.933 0.433 CB 1.550 31 residues pruned to eliminate duplicates Z: 28 61.213 2.355 1.078 0.920 0.963 0.704 CB 1.759 28 residues pruned to eliminate duplicates Z: 11 51.692 2.402 1.550 0.904 1.000 0.900 CB 1.900 11 residues pruned to eliminate duplicates Z: 28 56.648 2.425 1.048 0.804 0.963 0.778 CA 1.747 28 residues pruned to eliminate duplicates Z: 28 52.083 2.460 0.837 0.839 0.926 0.630 CA 1.789 28 residues pruned to eliminate duplicates Z: 26 63.368 2.443 0.980 0.957 1.000 0.960 CA 1.798 26 residues pruned to eliminate duplicates Z: 28 61.353 2.422 1.081 0.925 1.000 0.926 CB 1.644 28 residues pruned to eliminate duplicates Z: 50 45.034 2.352 0.857 0.505 0.898 0.510 CB 1.632 50 residues pruned to eliminate duplicates Z: 30 71.235 2.527 1.406 0.938 0.931 0.310 CB 1.626 30 residues pruned to eliminate duplicates Z: 28 61.546 2.389 1.052 0.872 0.963 0.630 CB 1.830 28 residues pruned to eliminate duplicates Z: 27 56.389 2.514 0.891 0.833 0.962 0.692 CB 1.814 27 residues pruned to eliminate duplicates Z: 25 69.055 2.412 1.247 0.945 0.958 0.708 CB 1.878 25 residues pruned to eliminate duplicates Z: 13 29.337 2.420 0.729 0.849 0.833 0.500 CB 1.799 13 residues pruned to eliminate duplicates Z: 18 34.348 2.361 0.848 0.852 0.941 0.882 CB 1.501 18 residues pruned to eliminate duplicates Z: 26 64.511 2.506 1.067 0.932 0.960 0.880 CA 1.813 26 residues pruned to eliminate duplicates Z: 28 56.062 2.391 0.918 0.917 0.963 0.815 CB 1.724 28 residues pruned to eliminate duplicates Z: 15 59.848 2.495 1.519 0.921 0.929 0.357 CA 1.929 15 residues pruned to eliminate duplicates Z: 13 34.065 2.300 1.017 0.892 1.000 0.917 CA 1.524 13 residues pruned to eliminate duplicates Z: 11 25.443 2.439 0.524 0.901 1.000 1.000 CB 1.545 11 residues pruned to eliminate duplicates Z: 22 52.918 2.511 0.997 0.870 0.952 0.857 CA 1.764 22 residues pruned to eliminate duplicates Z: 16 64.444 2.654 1.359 0.928 0.933 0.800 CB 1.994 16 residues pruned to eliminate duplicates Z: 27 70.239 2.415 1.266 0.933 1.000 0.462 CB 1.757 27 residues pruned to eliminate duplicates Z: 28 47.753 2.445 0.791 0.829 0.889 0.519 CB 1.777 28 residues pruned to eliminate duplicates Z: 27 64.448 2.433 1.016 0.938 0.962 0.846 CB 1.864 27 residues pruned to eliminate duplicates Z: 28 55.694 2.468 0.947 0.840 0.926 0.704 CA 1.798 28 residues pruned to eliminate duplicates Z: 32 74.432 2.482 1.378 0.891 0.968 0.452 CB 1.683 32 residues pruned to eliminate duplicates Z: 26 73.682 2.539 1.219 0.926 0.960 0.840 CA 1.911 26 residues pruned to eliminate duplicates Z: 19 35.606 2.296 0.986 0.875 0.889 0.611 CB 1.505 19 residues pruned to eliminate duplicates Z: 129 137.279 2.559 1.277 0.755 0.961 0.672 CB 1.727 58 residues pruned to eliminate duplicates Z: 28 59.102 2.465 0.884 0.869 0.963 0.556 CB 1.857 28 residues pruned to eliminate duplicates Z: 28 56.995 2.462 0.876 0.852 0.963 0.778 CB 1.824 28 residues pruned to eliminate duplicates Z: 26 63.992 2.513 1.096 0.901 0.920 0.840 CA 1.884 26 residues pruned to eliminate duplicates Z: 17 63.195 2.523 1.480 0.913 1.000 0.625 CB 1.787 17 residues pruned to eliminate duplicates Z: 7 13.224 1.931 0.619 0.789 1.000 1.000 CA 1.340 7 residues pruned to eliminate duplicates Z: 18 58.397 2.464 1.318 0.947 1.000 0.706 CB 1.713 18 residues pruned to eliminate duplicates Z: 28 59.230 2.471 1.353 0.921 0.889 0.556 CB 1.553 28 residues pruned to eliminate duplicates Z: 184 147.312 2.515 1.156 0.710 0.973 0.617 CB 1.706 127 residues pruned to eliminate duplicates Z: 27 56.327 2.431 0.847 0.926 0.923 0.654 CB 1.869 27 residues pruned to eliminate duplicates Z: 143 132.326 2.553 1.131 0.694 0.972 0.690 CB 1.758 31 residues pruned to eliminate duplicates Z: 27 58.266 2.390 1.277 0.913 0.885 0.808 CB 1.680 27 residues pruned to eliminate duplicates Z: 31 74.385 2.515 1.329 0.953 1.000 0.733 CB 1.596 31 residues pruned to eliminate duplicates Z: 26 63.327 2.534 0.940 0.917 0.960 0.800 CA 1.893 26 residues pruned to eliminate duplicates Z: 28 53.691 2.434 0.965 0.828 0.926 0.556 CB 1.757 28 residues pruned to eliminate duplicates Z: 8 17.238 1.907 0.988 0.838 1.000 0.429 CB 1.285 Z: 16 30.787 2.348 0.616 0.874 0.933 0.800 CB 1.634 16 residues pruned to eliminate duplicates Z: 25 84.606 2.582 1.406 0.951 0.958 0.542 CB 1.999 25 residues pruned to eliminate duplicates Z: 18 40.128 2.339 1.189 0.857 0.941 0.412 CB 1.488 18 residues pruned to eliminate duplicates Z: 20 33.845 2.193 0.814 0.878 1.000 0.632 CB 1.416 20 residues pruned to eliminate duplicates Z: 28 71.497 2.430 1.249 0.939 1.000 0.593 CB 1.749 28 residues pruned to eliminate duplicates Z: 27 63.247 2.430 1.173 0.869 0.962 0.654 CB 1.784 27 residues pruned to eliminate duplicates Z: 20 29.453 2.172 0.716 0.757 0.947 0.526 CB 1.522 19 residues pruned to eliminate duplicates Z: 25 56.853 2.509 0.877 0.940 0.958 0.875 CA 1.785 25 residues pruned to eliminate duplicates Z: 27 49.839 2.518 0.929 0.792 0.846 0.615 CB 1.841 27 residues pruned to eliminate duplicates Z: 18 43.118 2.354 1.190 0.869 1.000 0.706 CB 1.482 20 residues pruned to eliminate duplicates Z: 185 130.765 2.530 0.955 0.677 0.935 0.674 CB 1.771 185 residues pruned to eliminate duplicates Z: 26 78.403 2.585 1.432 0.944 1.000 0.600 CB 1.727 26 residues pruned to eliminate duplicates Z: 112 92.418 2.519 0.907 0.607 0.919 0.640 CB 1.794 112 residues pruned to eliminate duplicates Z: 21 56.332 2.568 1.089 0.893 0.950 0.950 CA 1.775 21 residues pruned to eliminate duplicates Z: 11 32.529 2.466 0.914 0.877 0.900 0.800 CB 1.758 11 residues pruned to eliminate duplicates Z: 31 60.776 2.480 0.907 0.919 0.967 0.800 CB 1.711 31 residues pruned to eliminate duplicates Z: 18 54.595 2.483 1.183 0.883 1.000 0.471 CB 1.767 18 residues pruned to eliminate duplicates Z: 11 23.782 2.280 0.553 0.790 0.900 0.600 CB 1.830 11 residues pruned to eliminate duplicates Z: 28 61.760 2.360 1.225 0.923 0.963 0.556 CB 1.652 28 residues pruned to eliminate duplicates Z: 7 7.319 1.931 0.825 0.690 0.833 0.667 CB 0.855 Z: 25 58.108 2.487 0.912 0.903 0.958 0.917 CA 1.855 25 residues pruned to eliminate duplicates Z: 26 83.503 2.525 1.489 0.937 0.960 0.600 CB 1.927 26 residues pruned to eliminate duplicates Z: 28 45.200 2.386 0.779 0.825 0.889 0.704 CA 1.741 28 residues pruned to eliminate duplicates Z: 22 49.596 2.469 0.904 0.864 0.952 0.667 CB 1.772 22 residues pruned to eliminate duplicates Z: 22 56.713 2.516 1.019 0.878 1.000 0.952 CB 1.769 22 residues pruned to eliminate duplicates Z: 32 70.870 2.490 1.369 0.949 0.968 0.484 CB 1.539 32 residues pruned to eliminate duplicates Z: 7 11.215 1.999 0.548 0.649 0.833 0.667 CA 1.545 7 residues pruned to eliminate duplicates Z: 22 51.796 2.387 1.080 0.864 1.000 0.714 CB 1.669 22 residues pruned to eliminate duplicates Z: 20 38.654 2.234 1.183 0.808 0.947 0.526 CB 1.467 20 residues pruned to eliminate duplicates Z: 25 65.248 2.539 0.971 0.939 1.000 0.833 CA 1.850 25 residues pruned to eliminate duplicates Z: 11 29.585 2.417 0.574 0.909 1.000 1.000 CA 1.745 11 residues pruned to eliminate duplicates Z: 29 51.568 2.389 1.020 0.787 0.857 0.571 CB 1.830 29 residues pruned to eliminate duplicates Z: 15 39.651 2.427 0.694 0.924 1.000 0.857 CA 1.811 15 residues pruned to eliminate duplicates Z: 26 78.666 2.536 1.410 0.896 0.960 0.680 CB 1.921 26 residues pruned to eliminate duplicates Z: 8 7.722 1.788 0.467 0.698 0.857 0.571 CB 1.083 8 residues pruned to eliminate duplicates Z: 20 40.634 2.317 0.867 0.886 0.947 0.684 CB 1.641 20 residues pruned to eliminate duplicates Z: 28 54.753 2.403 1.095 0.863 0.926 0.556 CB 1.658 28 residues pruned to eliminate duplicates Z: 27 56.244 2.497 0.913 0.886 0.962 0.731 CB 1.733 27 residues pruned to eliminate duplicates Z: 26 76.882 2.427 1.513 0.914 1.000 0.360 CB 1.783 26 residues pruned to eliminate duplicates Z: 25 84.967 2.569 1.459 0.952 0.958 0.500 CB 1.973 25 residues pruned to eliminate duplicates Z: 28 72.829 2.488 1.366 0.942 1.000 0.741 CB 1.651 28 residues pruned to eliminate duplicates Z: 28 64.126 2.479 1.179 0.917 1.000 0.630 CB 1.612 28 residues pruned to eliminate duplicates Z: 135 124.594 2.522 1.059 0.723 0.970 0.701 CB 1.746 135 residues pruned to eliminate duplicates Z: 27 59.726 2.557 0.919 0.847 0.962 0.731 CB 1.843 27 residues pruned to eliminate duplicates Z: 18 36.534 2.331 0.826 0.869 1.000 0.765 CB 1.521 18 residues pruned to eliminate duplicates Z: 19 37.363 2.282 0.891 0.866 1.000 0.611 CB 1.495 18 residues pruned to eliminate duplicates Z: 123 110.449 2.540 0.988 0.640 0.967 0.582 CB 1.797 87 residues pruned to eliminate duplicates Z: 18 50.667 2.431 1.439 0.884 0.882 0.353 CA 1.697 18 residues pruned to eliminate duplicates Z: 15 35.620 2.463 0.717 0.819 1.000 0.571 CB 1.707 15 residues pruned to eliminate duplicates Z: 29 69.663 2.568 1.307 0.962 0.929 0.714 CB 1.637 29 residues pruned to eliminate duplicates Z: 11 32.337 2.509 0.784 0.807 1.000 0.800 CA 1.747 11 residues pruned to eliminate duplicates Z: 26 78.883 2.525 1.367 0.905 0.960 0.560 CB 1.957 26 residues pruned to eliminate duplicates Z: 20 38.683 2.289 1.111 0.800 0.895 0.632 CB 1.580 19 residues pruned to eliminate duplicates Z: 27 56.839 2.388 1.203 0.887 1.000 0.500 CB 1.528 27 residues pruned to eliminate duplicates Z: 22 50.757 2.443 0.976 0.865 1.000 0.810 CA 1.681 22 residues pruned to eliminate duplicates Z: 29 67.559 2.573 1.293 0.942 0.929 0.571 CB 1.617 29 residues pruned to eliminate duplicates Z: 12 30.885 2.292 0.792 0.826 1.000 0.636 CA 1.710 12 residues pruned to eliminate duplicates Z: 28 58.065 2.461 1.003 0.815 0.926 0.630 CB 1.862 28 residues pruned to eliminate duplicates Z: 21 50.981 2.466 1.112 0.850 1.000 0.700 CA 1.622 21 residues pruned to eliminate duplicates Z: 182 144.574 2.514 1.164 0.703 0.956 0.575 CB 1.718 190 residues pruned to eliminate duplicates Z: 12 40.430 2.399 0.974 0.909 1.000 0.727 CB 1.826 12 residues pruned to eliminate duplicates Z: 11 30.035 2.482 0.655 0.813 1.000 0.700 CA 1.761 11 residues pruned to eliminate duplicates Z: 229 159.704 2.502 1.133 0.710 0.961 0.588 CB 1.706 190 residues pruned to eliminate duplicates Z: 179 135.445 2.504 1.126 0.686 0.938 0.506 CB 1.713 179 residues pruned to eliminate duplicates Z: 24 64.769 2.451 1.402 0.927 0.957 0.652 CB 1.680 24 residues pruned to eliminate duplicates Z: 231 158.980 2.506 1.140 0.717 0.939 0.600 CB 1.710 231 residues pruned to eliminate duplicates Z: 21 40.475 2.478 0.519 0.938 1.000 1.000 CB 1.672 21 residues pruned to eliminate duplicates Z: 16 32.585 2.233 0.780 0.858 0.933 0.867 CA 1.670 16 residues pruned to eliminate duplicates Z: 182 138.885 2.512 1.121 0.699 0.939 0.602 CB 1.721 182 residues pruned to eliminate duplicates Z: 19 52.172 2.459 1.056 0.893 1.000 0.778 CB 1.747 19 residues pruned to eliminate duplicates Z: 30 71.510 2.554 1.430 0.928 0.931 0.483 CB 1.609 30 residues pruned to eliminate duplicates Z: 129 145.418 2.591 1.308 0.742 0.992 0.617 CB 1.743 129 residues pruned to eliminate duplicates Z: 28 56.708 2.440 1.108 0.826 0.889 0.481 CB 1.800 28 residues pruned to eliminate duplicates Z: 26 73.627 2.498 1.207 0.938 1.000 0.840 CA 1.858 26 residues pruned to eliminate duplicates Z: 25 61.282 2.410 1.018 0.936 0.958 0.875 CA 1.869 25 residues pruned to eliminate duplicates Z: 15 30.797 2.290 0.639 0.873 0.857 0.714 CB 1.863 15 residues pruned to eliminate duplicates Z: 24 65.017 2.521 1.369 0.897 0.957 0.565 CB 1.699 24 residues pruned to eliminate duplicates Z: 15 57.633 2.578 1.173 0.944 1.000 1.000 CB 1.904 15 residues pruned to eliminate duplicates Z: 11 28.720 2.227 1.021 0.911 0.900 0.700 CB 1.589 16 residues pruned to eliminate duplicates Z: 27 61.508 2.399 1.044 0.923 0.962 0.769 CB 1.797 27 residues pruned to eliminate duplicates Z: 22 59.329 2.525 1.321 0.859 0.952 0.571 CB 1.707 22 residues pruned to eliminate duplicates Z: 12 43.887 2.531 1.033 0.870 1.000 0.909 CB 1.876 12 residues pruned to eliminate duplicates Z: 26 62.339 2.499 0.991 0.931 0.960 0.960 CA 1.823 26 residues pruned to eliminate duplicates Z: 6 8.825 1.873 0.524 0.688 0.800 0.800 CA 1.455 6 residues pruned to eliminate duplicates Z: 12 17.000 2.150 0.611 0.449 1.000 0.636 CB 1.559 12 residues pruned to eliminate duplicates Z: 28 51.036 2.407 1.014 0.810 0.963 0.333 CB 1.606 28 residues pruned to eliminate duplicates Z: 28 63.397 2.444 1.130 0.833 0.963 0.704 CB 1.825 28 residues pruned to eliminate duplicates Z: 25 54.114 2.363 0.876 0.943 0.958 0.792 CB 1.802 25 residues pruned to eliminate duplicates Z: 25 87.136 2.550 1.463 0.948 1.000 0.583 CB 1.955 25 residues pruned to eliminate duplicates Z: 21 49.183 2.507 1.154 0.841 0.900 0.650 CB 1.688 21 residues pruned to eliminate duplicates Z: 26 60.688 2.496 0.894 0.942 1.000 0.920 CA 1.780 26 residues pruned to eliminate duplicates Z: 181 144.227 2.542 1.099 0.674 0.956 0.594 CB 1.796 118 residues pruned to eliminate duplicates Z: 26 53.573 2.517 0.902 0.884 0.920 0.680 CB 1.757 26 residues pruned to eliminate duplicates Z: 15 40.466 2.476 0.859 0.833 0.929 0.786 CB 1.898 15 residues pruned to eliminate duplicates Z: 30 66.865 2.540 1.254 0.934 1.000 0.655 CB 1.513 30 residues pruned to eliminate duplicates Z: 31 70.435 2.507 1.245 0.949 0.967 0.800 CB 1.632 31 residues pruned to eliminate duplicates Z: 9 15.680 1.940 0.518 0.848 1.000 0.375 CB 1.397 Z: 20 60.054 2.586 1.151 0.857 1.000 0.684 CB 1.825 20 residues pruned to eliminate duplicates Z: 226 166.129 2.518 1.180 0.707 0.964 0.618 CB 1.734 251 residues pruned to eliminate duplicates Z: 18 41.556 2.291 1.318 0.861 0.941 0.706 CB 1.482 18 residues pruned to eliminate duplicates Z: 182 145.264 2.558 1.027 0.698 0.972 0.691 CB 1.788 182 residues pruned to eliminate duplicates Z: 26 58.411 2.437 1.262 0.894 0.880 0.400 CB 1.727 26 residues pruned to eliminate duplicates Z: 32 62.086 2.465 1.238 0.927 0.935 0.387 CB 1.514 32 residues pruned to eliminate duplicates Z: 25 56.650 2.446 1.224 0.910 0.917 0.667 CB 1.645 25 residues pruned to eliminate duplicates Z: 48 78.121 2.477 1.219 0.773 0.979 0.596 CB 1.663 48 residues pruned to eliminate duplicates Z: 179 136.433 2.494 1.061 0.672 0.961 0.674 CB 1.766 179 residues pruned to eliminate duplicates Z: 6 10.118 2.202 0.275 0.636 0.800 0.600 CA 1.774 6 residues pruned to eliminate duplicates Z: 29 55.087 2.336 1.367 0.881 0.929 0.536 CB 1.468 29 residues pruned to eliminate duplicates Z: 21 46.939 2.479 1.117 0.887 0.950 0.650 CB 1.517 21 residues pruned to eliminate duplicates Z: 146 116.532 2.490 0.983 0.697 0.959 0.690 CB 1.708 146 residues pruned to eliminate duplicates Z: 33 63.294 2.396 1.074 0.893 0.969 0.812 CB 1.669 33 residues pruned to eliminate duplicates Z: 69 99.300 2.519 1.324 0.776 0.956 0.721 CB 1.686 63 residues pruned to eliminate duplicates Z: 28 53.629 2.408 1.011 0.839 0.889 0.593 CA 1.792 28 residues pruned to eliminate duplicates Z: 229 162.125 2.513 1.146 0.704 0.934 0.614 CB 1.770 157 residues pruned to eliminate duplicates Z: 17 39.858 2.405 1.149 0.860 1.000 0.688 CB 1.418 17 residues pruned to eliminate duplicates Z: 28 64.536 2.386 1.152 0.906 0.963 0.481 CB 1.786 28 residues pruned to eliminate duplicates Z: 180 144.041 2.489 1.207 0.686 0.961 0.531 CB 1.720 180 residues pruned to eliminate duplicates Z: 27 59.407 2.486 1.239 0.940 0.923 0.308 CB 1.575 27 residues pruned to eliminate duplicates Z: 25 80.595 2.451 1.684 0.927 1.000 0.417 CB 1.753 25 residues pruned to eliminate duplicates Z: 7 8.180 2.132 0.868 0.375 0.667 0.500 CB 1.437 7 residues pruned to eliminate duplicates Z: 28 56.115 2.450 1.017 0.832 0.963 0.444 CB 1.703 28 residues pruned to eliminate duplicates Z: 9 7.826 1.799 0.195 0.768 0.875 0.875 CB 1.160 Z: 13 27.888 2.132 1.242 0.755 0.917 0.667 CA 1.464 13 residues pruned to eliminate duplicates Z: 20 38.611 2.170 1.047 0.879 1.000 0.684 CB 1.446 20 residues pruned to eliminate duplicates Z: 220 171.021 2.523 1.232 0.736 0.968 0.616 CB 1.716 220 residues pruned to eliminate duplicates Z: 26 66.594 2.482 1.068 0.922 1.000 0.840 CA 1.825 26 residues pruned to eliminate duplicates Z: 6 9.479 2.063 0.120 0.778 1.000 1.000 CA 1.435 6 residues pruned to eliminate duplicates Z: 158 121.059 2.497 1.000 0.704 0.936 0.682 CB 1.715 158 residues pruned to eliminate duplicates Z: 19 30.552 2.315 0.718 0.462 0.944 0.611 CA 1.993 19 residues pruned to eliminate duplicates Z: 19 32.966 2.249 0.993 0.832 0.889 0.667 CB 1.464 19 residues pruned to eliminate duplicates Z: 53 58.811 2.442 0.828 0.629 0.904 0.596 CB 1.791 53 residues pruned to eliminate duplicates Z: 14 38.377 2.516 0.804 0.855 1.000 0.923 CA 1.731 14 residues pruned to eliminate duplicates Z: 29 53.850 2.253 1.268 0.910 0.893 0.321 CB 1.582 29 residues pruned to eliminate duplicates Z: 11 33.835 2.447 0.880 0.825 1.000 0.700 CB 1.755 11 residues pruned to eliminate duplicates Z: 91 87.083 2.436 1.008 0.685 0.911 0.600 CB 1.738 91 residues pruned to eliminate duplicates Z: 144 129.558 2.513 1.219 0.698 0.972 0.538 CB 1.668 144 residues pruned to eliminate duplicates Z: 12 25.710 2.254 0.891 0.774 0.909 0.636 CB 1.570 12 residues pruned to eliminate duplicates Z: 26 54.182 2.423 1.230 0.942 0.800 0.400 CB 1.739 26 residues pruned to eliminate duplicates Z: 19 31.052 2.179 0.727 0.854 0.944 0.778 CB 1.521 19 residues pruned to eliminate duplicates Z: 17 39.004 2.391 0.988 0.868 1.000 0.688 CB 1.500 17 residues pruned to eliminate duplicates Z: 50 42.340 2.307 0.722 0.502 0.918 0.592 CB 1.654 50 residues pruned to eliminate duplicates Z: 182 140.022 2.533 1.144 0.678 0.928 0.547 CB 1.752 191 residues pruned to eliminate duplicates Z: 31 27.808 2.270 0.736 0.378 0.900 0.433 CB 1.631 29 residues pruned to eliminate duplicates Z: 8 21.046 2.469 0.553 0.892 1.000 0.857 CB 1.491 8 residues pruned to eliminate duplicates Z: 26 53.255 2.431 0.853 0.954 1.000 0.880 CB 1.626 26 residues pruned to eliminate duplicates Z: 24 42.814 2.452 0.874 0.924 0.913 0.739 CB 1.494 24 residues pruned to eliminate duplicates Z: 8 14.758 1.860 0.890 0.872 1.000 0.857 CB 1.156 8 residues pruned to eliminate duplicates Z: 17 57.940 2.525 1.486 0.924 0.938 0.438 CB 1.728 17 residues pruned to eliminate duplicates Z: 48 73.019 2.432 1.162 0.787 0.957 0.681 CB 1.645 49 residues pruned to eliminate duplicates Z: 25 44.958 2.530 0.812 0.849 0.917 0.875 CB 1.619 25 residues pruned to eliminate duplicates Z: 19 34.745 2.231 0.849 0.881 0.944 0.722 CB 1.522 19 residues pruned to eliminate duplicates Z: 23 53.005 2.329 1.039 0.896 1.000 0.818 CA 1.704 23 residues pruned to eliminate duplicates Z: 17 32.685 2.405 0.798 0.593 1.000 0.562 CB 1.729 17 residues pruned to eliminate duplicates Z: 28 49.300 2.460 0.826 0.843 0.926 0.630 CB 1.698 28 residues pruned to eliminate duplicates Z: 37 55.362 2.452 1.058 0.640 0.944 0.639 CB 1.698 37 residues pruned to eliminate duplicates Z: 6 8.131 1.674 0.280 0.854 1.000 1.000 CA 1.254 6 residues pruned to eliminate duplicates Z: 23 23.805 2.133 0.791 0.430 1.000 0.545 CB 1.428 23 residues pruned to eliminate duplicates Z: 25 79.121 2.485 1.632 0.939 0.917 0.417 CB 1.872 25 residues pruned to eliminate duplicates Z: 36 57.557 2.498 0.987 0.647 0.971 0.600 CB 1.759 36 residues pruned to eliminate duplicates Z: 56 56.464 2.407 0.819 0.558 0.909 0.491 CB 1.808 56 residues pruned to eliminate duplicates Z: 6 3.238 1.884 0.570 0.412 0.800 0.600 CB 0.671 Z: 44 90.839 2.641 1.284 0.762 1.000 0.791 CB 1.820 44 residues pruned to eliminate duplicates Z: 48 46.251 2.388 0.785 0.520 0.915 0.574 CB 1.696 48 residues pruned to eliminate duplicates Z: 46 59.187 2.408 1.096 0.609 0.911 0.578 CB 1.729 46 residues pruned to eliminate duplicates Z: 44 55.371 2.471 0.912 0.650 0.884 0.581 CB 1.758 44 residues pruned to eliminate duplicates Z: 28 54.407 2.429 0.889 0.897 1.000 0.667 CB 1.633 28 residues pruned to eliminate duplicates Z: 14 40.815 2.404 1.232 0.928 1.000 0.538 CB 1.477 14 residues pruned to eliminate duplicates Z: 7 10.048 1.799 0.314 0.870 1.000 0.667 CB 1.266 7 residues pruned to eliminate duplicates Z: 6 12.956 2.220 0.377 0.703 1.000 0.800 CA 1.575 6 residues pruned to eliminate duplicates Z: 24 52.855 2.511 1.041 0.927 0.913 0.826 CB 1.650 24 residues pruned to eliminate duplicates Z: 11 39.367 2.456 1.093 0.860 1.000 0.900 CA 1.781 11 residues pruned to eliminate duplicates Z: 44 52.016 2.454 0.975 0.702 0.837 0.349 CB 1.627 44 residues pruned to eliminate duplicates Z: 33 63.344 2.386 1.042 0.894 1.000 0.656 CB 1.649 33 residues pruned to eliminate duplicates Z: 175 125.374 2.473 1.072 0.661 0.948 0.586 CB 1.685 116 residues pruned to eliminate duplicates Z: 10 28.529 2.269 0.834 0.839 1.000 0.667 CB 1.707 10 residues pruned to eliminate duplicates Z: 13 33.753 2.393 0.642 0.877 1.000 0.917 CB 1.802 13 residues pruned to eliminate duplicates Z: 18 60.275 2.468 1.325 0.875 1.000 0.412 CB 1.852 18 residues pruned to eliminate duplicates Z: 20 29.078 2.075 0.717 0.826 1.000 0.684 CB 1.413 20 residues pruned to eliminate duplicates Z: 23 42.525 2.371 1.042 0.672 0.864 0.773 CB 1.849 23 residues pruned to eliminate duplicates Z: 31 81.409 2.535 1.449 0.960 0.967 0.467 CB 1.696 31 residues pruned to eliminate duplicates Z: 190 143.132 2.489 1.197 0.675 0.963 0.619 CB 1.683 190 residues pruned to eliminate duplicates Z: 6 13.424 2.032 0.667 0.841 1.000 0.800 CB 1.322 6 residues pruned to eliminate duplicates Z: 19 34.755 2.348 0.811 0.828 0.944 0.611 CB 1.536 19 residues pruned to eliminate duplicates Z: 20 39.630 2.270 1.132 0.819 0.947 0.579 CB 1.503 20 residues pruned to eliminate duplicates Z: 184 139.453 2.481 1.145 0.678 0.951 0.546 CB 1.729 184 residues pruned to eliminate duplicates Z: 7 10.143 1.924 0.389 0.720 1.000 0.833 CB 1.269 7 residues pruned to eliminate duplicates Z: 12 17.466 2.139 0.593 0.494 1.000 0.545 CB 1.556 12 residues pruned to eliminate duplicates Z: 99 110.880 2.557 1.076 0.760 0.959 0.765 CB 1.746 99 residues pruned to eliminate duplicates Z: 205 160.103 2.542 1.186 0.690 0.975 0.569 CB 1.737 205 residues pruned to eliminate duplicates Z: 26 68.166 2.402 1.543 0.953 0.960 0.400 CB 1.600 26 residues pruned to eliminate duplicates Z: 180 145.263 2.518 1.193 0.685 0.950 0.626 CB 1.748 180 residues pruned to eliminate duplicates Z: 30 75.458 2.534 1.489 0.954 0.966 0.379 CB 1.582 30 residues pruned to eliminate duplicates Z: 30 50.276 2.403 0.730 0.909 0.966 0.931 CB 1.651 30 residues pruned to eliminate duplicates Z: 19 31.008 2.216 0.525 0.863 1.000 0.889 CA 1.587 19 residues pruned to eliminate duplicates Z: 145 134.437 2.538 1.267 0.706 0.951 0.528 CB 1.697 145 residues pruned to eliminate duplicates Z: 19 44.780 2.297 1.046 0.859 1.000 0.778 CB 1.653 19 residues pruned to eliminate duplicates Z: 358 206.964 2.529 1.107 0.700 0.972 0.619 CB 1.763 283 residues pruned to eliminate duplicates Z: 20 34.824 2.132 0.970 0.895 1.000 0.789 CB 1.364 20 residues pruned to eliminate duplicates Z: 26 58.567 2.466 1.428 0.848 0.960 0.120 CB 1.512 26 residues pruned to eliminate duplicates Z: 126 128.478 2.565 1.250 0.685 0.984 0.576 CB 1.708 126 residues pruned to eliminate duplicates Z: 19 34.983 2.173 1.082 0.879 0.944 0.444 CB 1.399 19 residues pruned to eliminate duplicates Z: 18 49.740 2.296 1.396 0.899 0.941 0.353 CB 1.666 18 residues pruned to eliminate duplicates Z: 13 21.418 2.101 1.234 0.766 0.750 0.667 CB 1.388 13 residues pruned to eliminate duplicates Z: 72 65.571 2.436 0.869 0.541 0.915 0.549 CB 1.793 72 residues pruned to eliminate duplicates Z: 26 86.601 2.540 1.520 0.944 0.960 0.680 CA 1.951 26 residues pruned to eliminate duplicates Z: 19 37.087 2.213 1.165 0.847 0.944 0.500 CB 1.434 19 residues pruned to eliminate duplicates Z: 8 6.352 1.718 0.538 0.447 0.857 0.571 CA 1.120 Z: 184 137.889 2.543 1.008 0.699 0.945 0.617 CB 1.761 184 residues pruned to eliminate duplicates Z: 198 149.033 2.507 1.155 0.692 0.949 0.604 CB 1.736 198 residues pruned to eliminate duplicates Z: 8 13.217 2.083 0.596 0.441 1.000 0.571 CB 1.598 8 residues pruned to eliminate duplicates Z: 54 58.660 2.415 1.033 0.528 0.943 0.585 CB 1.691 54 residues pruned to eliminate duplicates Z: 8 4.573 1.783 0.797 0.245 0.571 0.429 CB 1.267 Z: 9 9.329 1.910 0.527 0.373 0.875 0.500 CB 1.482 Z: 11 6.954 1.601 0.572 0.394 0.800 0.500 N 1.222 Z: 18 28.146 2.200 0.977 0.735 0.882 0.588 CB 1.440 18 residues pruned to eliminate duplicates Z: 18 64.058 2.432 1.495 0.908 1.000 0.529 CB 1.819 18 residues pruned to eliminate duplicates Z: 26 53.962 2.487 1.096 0.701 0.960 0.720 CB 1.796 26 residues pruned to eliminate duplicates Z: 11 3.444 1.593 0.702 0.438 0.700 0.600 CB 0.612 6 residues pruned to eliminate duplicates Z: 167 132.015 2.539 1.106 0.672 0.952 0.572 CB 1.717 143 residues pruned to eliminate duplicates Z: 7 7.328 1.650 0.431 0.797 1.000 0.667 CA 0.977 Z: 10 13.592 2.163 0.395 0.527 0.889 0.778 CA 1.645 10 residues pruned to eliminate duplicates Z: 130 108.350 2.502 1.058 0.635 0.938 0.550 CB 1.742 130 residues pruned to eliminate duplicates Z: 21 58.620 2.537 1.115 0.859 1.000 0.800 CB 1.797 21 residues pruned to eliminate duplicates Z: 122 105.489 2.499 1.093 0.650 0.942 0.636 CB 1.692 122 residues pruned to eliminate duplicates Z: 47 56.119 2.441 0.906 0.544 0.957 0.609 CB 1.781 47 residues pruned to eliminate duplicates Z: 47 75.576 2.471 1.001 0.796 0.978 0.717 CB 1.778 7 residues pruned to eliminate duplicates Z: 51 62.350 2.481 0.995 0.553 0.960 0.700 CB 1.762 51 residues pruned to eliminate duplicates Z: 27 53.646 2.374 1.043 0.863 0.923 0.692 CB 1.725 27 residues pruned to eliminate duplicates Z: 69 70.558 2.467 0.935 0.561 0.956 0.676 CB 1.766 69 residues pruned to eliminate duplicates Z: 11 4.885 1.882 0.342 0.255 0.600 0.400 CB 1.350 Z: 26 52.841 2.543 0.767 0.947 0.960 0.960 CB 1.693 26 residues pruned to eliminate duplicates Z: 30 56.919 2.548 1.054 0.644 0.966 0.690 CB 1.829 30 residues pruned to eliminate duplicates Z: 42 79.188 2.430 1.243 0.796 0.976 0.829 CB 1.795 42 residues pruned to eliminate duplicates Z: 48 77.133 2.406 1.126 0.810 0.957 0.723 CB 1.753 59 residues pruned to eliminate duplicates Z: 97 93.171 2.428 1.207 0.662 0.948 0.531 CB 1.610 97 residues pruned to eliminate duplicates Z: 70 86.690 2.535 1.059 0.679 0.971 0.580 CB 1.747 74 residues pruned to eliminate duplicates Z: 19 42.036 2.364 1.015 0.828 0.889 0.333 CB 1.761 19 residues pruned to eliminate duplicates Z: 7 10.028 1.868 0.448 0.857 1.000 0.833 CB 1.115 Z: 8 6.084 1.906 0.069 0.457 0.857 0.571 CA 1.376 Z: 97 108.644 2.560 1.194 0.663 0.969 0.562 CB 1.752 97 residues pruned to eliminate duplicates Z: 72 92.689 2.534 0.895 0.794 1.000 0.887 CB 1.770 72 residues pruned to eliminate duplicates Z: 6 4.084 1.211 0.838 0.684 0.800 0.400 O 0.867 Z: 6 6.136 1.594 0.629 0.655 0.800 0.400 N 1.144 Z: 143 139.564 2.573 1.207 0.709 0.979 0.599 CB 1.743 143 residues pruned to eliminate duplicates Z: 180 151.470 2.560 1.139 0.677 0.972 0.603 CB 1.808 180 residues pruned to eliminate duplicates Z: 17 36.205 2.356 0.986 0.887 1.000 0.875 CB 1.394 17 residues pruned to eliminate duplicates Z: 6 2.421 1.521 -0.070 0.500 0.800 0.400 CB 0.957 Z: 32 24.511 2.207 0.705 0.375 0.871 0.355 CB 1.535 32 residues pruned to eliminate duplicates Z: 35 49.168 2.182 1.065 0.633 0.971 0.647 CA 1.701 35 residues pruned to eliminate duplicates Z: 18 39.418 2.346 1.131 0.861 0.941 0.647 CB 1.493 18 residues pruned to eliminate duplicates Z: 13 22.825 2.286 0.813 0.692 0.917 0.750 CB 1.455 13 residues pruned to eliminate duplicates Z: 6 3.276 1.881 0.674 0.398 0.400 0.400 C 1.295 6 residues pruned to eliminate duplicates Z: 47 68.684 2.504 1.135 0.711 0.935 0.652 CB 1.674 47 residues pruned to eliminate duplicates Z: 94 90.697 2.462 1.237 0.656 0.914 0.591 CB 1.616 94 residues pruned to eliminate duplicates Z: 24 68.696 2.605 0.916 0.937 1.000 0.913 CA 1.998 24 residues pruned to eliminate duplicates Z: 27 46.308 2.438 1.047 0.575 0.923 0.538 CB 1.834 35 residues pruned to eliminate duplicates Z: 10 3.230 1.437 0.480 0.173 0.778 0.444 CB 0.967 Z: 48 75.615 2.563 1.230 0.733 0.957 0.638 CB 1.635 48 residues pruned to eliminate duplicates Z: 7 13.296 1.912 0.585 0.832 1.000 0.667 CB 1.344 7 residues pruned to eliminate duplicates Z: 21 49.908 2.499 1.254 0.824 0.900 0.650 CB 1.662 21 residues pruned to eliminate duplicates 7 1.680 1.667 0.393 0.508 1.000 0.667 CB 0.293 ? Z: 55 58.369 2.426 0.777 0.604 0.907 0.574 CB 1.839 66 residues pruned to eliminate duplicates Z: 28 45.838 2.536 0.681 0.758 1.000 0.815 CB 1.646 28 residues pruned to eliminate duplicates Z: 50 51.817 2.359 0.806 0.527 0.939 0.592 CB 1.802 50 residues pruned to eliminate duplicates Z: 28 61.225 2.394 1.008 0.891 0.963 0.815 CA 1.830 28 residues pruned to eliminate duplicates 6 1.750 1.389 0.173 0.404 0.800 0.400 CB 0.665 ? Z: 180 147.782 2.538 1.133 0.672 0.966 0.581 CB 1.801 180 residues pruned to eliminate duplicates Z: 13 11.331 1.934 0.494 0.526 0.917 0.667 CB 1.204 13 residues pruned to eliminate duplicates Z: 185 128.286 2.474 0.992 0.716 0.946 0.652 CB 1.669 129 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 22 63.055 2.520 1.205 0.891 1.000 0.762 CA 1.780 22 residues pruned to eliminate duplicates Z: 181 140.993 2.523 1.032 0.709 0.961 0.717 CB 1.764 181 residues pruned to eliminate duplicates Z: 184 142.322 2.520 1.092 0.714 0.945 0.656 CB 1.739 184 residues pruned to eliminate duplicates Z: 103 102.269 2.489 1.054 0.693 0.961 0.725 CB 1.728 103 residues pruned to eliminate duplicates Z: 218 161.197 2.534 1.064 0.744 0.959 0.728 CB 1.755 219 residues pruned to eliminate duplicates Z: 21 54.442 2.567 0.988 0.882 0.950 0.800 CA 1.817 21 residues pruned to eliminate duplicates Z: 181 146.579 2.531 1.085 0.713 0.972 0.722 CB 1.756 181 residues pruned to eliminate duplicates Z: 169 135.990 2.519 1.028 0.690 0.970 0.720 CB 1.779 169 residues pruned to eliminate duplicates Z: 184 139.902 2.510 1.056 0.712 0.962 0.628 CB 1.720 184 residues pruned to eliminate duplicates Z: 181 148.442 2.526 1.144 0.699 0.972 0.694 CB 1.753 181 residues pruned to eliminate duplicates Z: 119 111.538 2.485 1.094 0.699 0.958 0.712 CB 1.718 119 residues pruned to eliminate duplicates Z: 57 82.423 2.584 1.042 0.694 1.000 0.750 CB 1.749 57 residues pruned to eliminate duplicates Z: 129 138.417 2.545 1.217 0.737 1.000 0.695 CB 1.753 129 residues pruned to eliminate duplicates Z: 230 160.385 2.504 1.055 0.727 0.969 0.690 CB 1.732 230 residues pruned to eliminate duplicates Z: 140 121.922 2.482 1.101 0.706 0.950 0.719 CB 1.732 140 residues pruned to eliminate duplicates Z: 180 133.949 2.471 1.087 0.678 0.966 0.654 CB 1.705 180 residues pruned to eliminate duplicates Z: 109 113.281 2.533 1.066 0.723 0.963 0.787 CB 1.768 109 residues pruned to eliminate duplicates Z: 158 125.931 2.506 1.039 0.724 0.936 0.650 CB 1.716 158 residues pruned to eliminate duplicates Z: 144 121.941 2.506 1.053 0.696 0.972 0.699 CB 1.706 144 residues pruned to eliminate duplicates Z: 68 92.108 2.585 1.144 0.727 0.955 0.761 CB 1.732 68 residues pruned to eliminate duplicates Z: 185 134.663 2.502 1.022 0.709 0.940 0.685 CB 1.726 185 residues pruned to eliminate duplicates Z: 162 124.521 2.487 0.999 0.703 0.963 0.689 CB 1.704 49 residues pruned to eliminate duplicates Z: 14 26.394 2.437 1.011 0.692 0.923 0.615 CB 1.357 14 residues pruned to eliminate duplicates Z: 182 139.435 2.507 1.077 0.700 0.950 0.696 CB 1.746 182 residues pruned to eliminate duplicates Z: 181 142.131 2.517 1.071 0.693 0.967 0.744 CB 1.762 181 residues pruned to eliminate duplicates Z: 91 108.454 2.546 1.175 0.735 0.967 0.767 CB 1.730 91 residues pruned to eliminate duplicates Z: 182 139.034 2.513 1.031 0.700 0.967 0.707 CB 1.745 182 residues pruned to eliminate duplicates Z: 180 146.933 2.529 1.067 0.706 0.972 0.709 CB 1.792 117 residues pruned to eliminate duplicates Z: 31 52.781 2.466 0.724 0.912 0.967 0.867 CB 1.661 31 residues pruned to eliminate duplicates Z: 180 140.364 2.531 1.060 0.690 0.961 0.676 CB 1.760 180 residues pruned to eliminate duplicates Z: 184 133.947 2.494 1.039 0.703 0.940 0.683 CB 1.721 184 residues pruned to eliminate duplicates Z: 118 116.603 2.492 1.145 0.709 0.966 0.701 CB 1.727 118 residues pruned to eliminate duplicates Z: 171 150.680 2.542 1.156 0.735 0.971 0.647 CB 1.758 171 residues pruned to eliminate duplicates Z: 135 130.185 2.524 1.146 0.727 0.978 0.701 CB 1.731 135 residues pruned to eliminate duplicates Z: 164 129.652 2.493 1.077 0.677 0.957 0.693 CB 1.741 164 residues pruned to eliminate duplicates Z: 232 164.486 2.501 1.169 0.711 0.961 0.714 CB 1.715 232 residues pruned to eliminate duplicates Z: 90 113.235 2.551 1.270 0.739 0.966 0.753 CB 1.731 90 residues pruned to eliminate duplicates Z: 182 140.639 2.504 1.111 0.714 0.945 0.586 CB 1.723 182 residues pruned to eliminate duplicates Z: 143 131.602 2.505 1.259 0.696 0.958 0.641 CB 1.703 143 residues pruned to eliminate duplicates Z: 181 142.725 2.519 1.135 0.694 0.956 0.611 CB 1.734 181 residues pruned to eliminate duplicates Z: 115 128.174 2.533 1.174 0.777 0.974 0.667 CB 1.753 115 residues pruned to eliminate duplicates Z: 102 106.013 2.515 1.197 0.699 0.950 0.634 CB 1.674 102 residues pruned to eliminate duplicates Z: 118 110.065 2.467 1.188 0.691 0.949 0.701 CB 1.668 118 residues pruned to eliminate duplicates Z: 184 138.262 2.516 1.086 0.693 0.945 0.574 CB 1.727 184 residues pruned to eliminate duplicates Z: 142 124.660 2.500 1.159 0.700 0.950 0.631 CB 1.705 142 residues pruned to eliminate duplicates Z: 184 141.860 2.515 1.128 0.692 0.951 0.596 CB 1.730 184 residues pruned to eliminate duplicates Z: 182 137.914 2.518 1.095 0.689 0.945 0.597 CB 1.730 182 residues pruned to eliminate duplicates Z: 158 132.310 2.517 1.105 0.711 0.955 0.650 CB 1.722 158 residues pruned to eliminate duplicates Z: 80 118.147 2.591 1.384 0.772 0.987 0.658 CB 1.713 80 residues pruned to eliminate duplicates Z: 171 138.973 2.548 1.109 0.727 0.947 0.647 CB 1.706 171 residues pruned to eliminate duplicates Z: 118 115.211 2.491 1.204 0.706 0.957 0.607 CB 1.680 118 residues pruned to eliminate duplicates Z: 182 139.365 2.500 1.121 0.694 0.961 0.597 CB 1.702 182 residues pruned to eliminate duplicates Z: 119 110.272 2.493 1.110 0.709 0.941 0.576 CB 1.696 119 residues pruned to eliminate duplicates Z: 176 148.500 2.539 1.189 0.702 0.971 0.669 CB 1.729 176 residues pruned to eliminate duplicates Z: 130 125.954 2.536 1.129 0.747 0.961 0.605 CB 1.714 130 residues pruned to eliminate duplicates Z: 173 142.949 2.535 1.168 0.705 0.948 0.599 CB 1.737 173 residues pruned to eliminate duplicates Z: 184 141.807 2.511 1.116 0.713 0.951 0.552 CB 1.711 184 residues pruned to eliminate duplicates Z: 145 127.216 2.491 1.181 0.686 0.965 0.667 CB 1.704 145 residues pruned to eliminate duplicates Z: 46 80.230 2.435 1.193 0.758 0.978 0.689 CB 1.822 46 residues pruned to eliminate duplicates Z: 119 117.490 2.492 1.194 0.703 0.966 0.669 CB 1.702 119 residues pruned to eliminate duplicates Z: 129 142.519 2.562 1.320 0.738 0.977 0.641 CB 1.752 129 residues pruned to eliminate duplicates Z: 142 134.151 2.507 1.224 0.698 0.993 0.660 CB 1.703 142 residues pruned to eliminate duplicates Z: 131 112.623 2.464 1.176 0.653 0.946 0.546 CB 1.688 131 residues pruned to eliminate duplicates Z: 160 135.530 2.508 1.145 0.699 0.962 0.667 CB 1.731 160 residues pruned to eliminate duplicates Z: 107 123.358 2.512 1.309 0.741 0.962 0.547 CB 1.730 107 residues pruned to eliminate duplicates Z: 171 152.449 2.548 1.251 0.727 0.959 0.618 CB 1.733 171 residues pruned to eliminate duplicates Z: 228 157.527 2.503 1.119 0.712 0.947 0.608 CB 1.718 228 residues pruned to eliminate duplicates Z: 146 138.139 2.543 1.187 0.755 0.966 0.552 CB 1.703 146 residues pruned to eliminate duplicates Z: 182 143.469 2.518 1.186 0.686 0.961 0.624 CB 1.699 182 residues pruned to eliminate duplicates Z: 181 144.410 2.528 1.131 0.693 0.956 0.639 CB 1.753 181 residues pruned to eliminate duplicates Z: 115 120.807 2.523 1.287 0.722 0.930 0.553 CB 1.726 115 residues pruned to eliminate duplicates Z: 47 78.008 2.411 1.229 0.758 0.935 0.565 CB 1.821 47 residues pruned to eliminate duplicates Z: 179 149.317 2.531 1.164 0.697 0.978 0.618 CB 1.747 179 residues pruned to eliminate duplicates Z: 181 145.753 2.512 1.095 0.707 0.983 0.594 CB 1.739 181 residues pruned to eliminate duplicates Z: 184 133.151 2.483 1.155 0.689 0.923 0.568 CB 1.676 184 residues pruned to eliminate duplicates Z: 186 134.259 2.500 1.137 0.696 0.924 0.514 CB 1.672 186 residues pruned to eliminate duplicates Z: 180 144.160 2.509 1.187 0.700 0.955 0.598 CB 1.713 180 residues pruned to eliminate duplicates Z: 183 149.341 2.508 1.175 0.700 0.962 0.659 CB 1.759 183 residues pruned to eliminate duplicates Z: 141 110.916 2.468 1.093 0.659 0.929 0.593 CB 1.687 141 residues pruned to eliminate duplicates Z: 169 142.505 2.535 1.175 0.705 0.964 0.625 CB 1.716 62 residues pruned to eliminate duplicates Z: 29 62.799 2.336 1.237 0.887 0.964 0.536 CB 1.699 29 residues pruned to eliminate duplicates Z: 182 144.006 2.517 1.131 0.704 0.967 0.608 CB 1.715 134 residues pruned to eliminate duplicates Z: 31 60.051 2.377 0.999 0.822 0.967 0.633 CB 1.806 31 residues pruned to eliminate duplicates Z: 186 142.363 2.495 1.172 0.686 0.957 0.600 CB 1.703 186 residues pruned to eliminate duplicates Z: 182 153.336 2.527 1.199 0.699 0.983 0.657 CB 1.741 182 residues pruned to eliminate duplicates Z: 184 135.416 2.512 1.046 0.705 0.945 0.585 CB 1.710 184 residues pruned to eliminate duplicates Z: 180 139.347 2.499 1.148 0.681 0.950 0.598 CB 1.730 180 residues pruned to eliminate duplicates Z: 230 159.971 2.504 1.144 0.721 0.952 0.603 CB 1.694 230 residues pruned to eliminate duplicates Z: 183 144.054 2.535 1.113 0.713 0.951 0.571 CB 1.729 183 residues pruned to eliminate duplicates Z: 185 140.176 2.511 1.131 0.710 0.940 0.576 CB 1.698 185 residues pruned to eliminate duplicates Z: 182 143.380 2.512 1.172 0.695 0.967 0.613 CB 1.691 182 residues pruned to eliminate duplicates Z: 218 165.779 2.528 1.169 0.731 0.968 0.627 CB 1.722 218 residues pruned to eliminate duplicates Z: 230 163.739 2.525 1.096 0.722 0.969 0.638 CB 1.726 230 residues pruned to eliminate duplicates Z: 204 142.522 2.483 1.083 0.696 0.956 0.616 CB 1.693 179 residues pruned to eliminate duplicates Z: 18 58.179 2.501 1.225 0.885 1.000 0.765 CB 1.831 18 residues pruned to eliminate duplicates Z: 74 76.215 2.497 1.007 0.694 0.904 0.589 CB 1.649 74 residues pruned to eliminate duplicates Z: 147 131.403 2.511 1.188 0.723 0.959 0.555 CB 1.688 147 residues pruned to eliminate duplicates Z: 184 145.146 2.509 1.200 0.696 0.956 0.596 CB 1.701 184 residues pruned to eliminate duplicates Z: 230 162.796 2.503 1.143 0.722 0.965 0.620 CB 1.701 230 residues pruned to eliminate duplicates Z: 179 139.978 2.513 1.102 0.686 0.961 0.635 CB 1.744 179 residues pruned to eliminate duplicates Z: 143 127.903 2.498 1.222 0.688 0.958 0.592 CB 1.699 143 residues pruned to eliminate duplicates Z: 184 150.743 2.524 1.188 0.703 0.973 0.590 CB 1.725 184 residues pruned to eliminate duplicates Z: 184 130.551 2.486 1.094 0.675 0.934 0.596 CB 1.689 184 residues pruned to eliminate duplicates Z: 184 145.962 2.517 1.163 0.708 0.956 0.568 CB 1.716 184 residues pruned to eliminate duplicates Z: 159 128.204 2.499 1.142 0.704 0.937 0.576 CB 1.690 159 residues pruned to eliminate duplicates Z: 233 151.455 2.485 1.080 0.703 0.940 0.616 CB 1.702 233 residues pruned to eliminate duplicates Z: 172 140.557 2.534 1.151 0.716 0.959 0.585 CB 1.691 172 residues pruned to eliminate duplicates Z: 169 149.100 2.546 1.251 0.729 0.952 0.631 CB 1.716 169 residues pruned to eliminate duplicates Z: 182 139.773 2.519 1.132 0.683 0.945 0.580 CB 1.731 182 residues pruned to eliminate duplicates Z: 218 170.525 2.547 1.203 0.736 0.959 0.650 CB 1.741 218 residues pruned to eliminate duplicates Z: 181 138.735 2.517 1.134 0.681 0.961 0.594 CB 1.695 181 residues pruned to eliminate duplicates Z: 42 52.504 2.437 1.025 0.610 0.927 0.537 CB 1.615 42 residues pruned to eliminate duplicates Z: 46 55.627 2.506 0.909 0.696 0.867 0.600 CB 1.673 46 residues pruned to eliminate duplicates Z: 56 66.227 2.451 1.043 0.686 0.855 0.491 CB 1.761 56 residues pruned to eliminate duplicates Z: 71 79.167 2.547 0.873 0.681 0.957 0.586 CB 1.754 71 residues pruned to eliminate duplicates Z: 186 141.173 2.517 1.151 0.696 0.946 0.573 CB 1.695 186 residues pruned to eliminate duplicates Z: 230 165.715 2.521 1.158 0.720 0.961 0.624 CB 1.718 230 residues pruned to eliminate duplicates Z: 186 147.978 2.499 1.222 0.696 0.962 0.535 CB 1.703 186 residues pruned to eliminate duplicates Z: 231 165.109 2.520 1.143 0.710 0.961 0.661 CB 1.734 231 residues pruned to eliminate duplicates Z: 91 96.094 2.492 1.013 0.715 0.944 0.656 CB 1.759 91 residues pruned to eliminate duplicates Z: 170 152.001 2.555 1.226 0.726 0.953 0.615 CB 1.760 170 residues pruned to eliminate duplicates Z: 184 149.928 2.523 1.204 0.704 0.967 0.661 CB 1.711 184 residues pruned to eliminate duplicates Z: 185 149.248 2.514 1.182 0.696 0.973 0.587 CB 1.724 185 residues pruned to eliminate duplicates Z: 218 171.458 2.545 1.196 0.739 0.968 0.622 CB 1.738 218 residues pruned to eliminate duplicates Z: 184 142.671 2.514 1.130 0.687 0.967 0.568 CB 1.715 184 residues pruned to eliminate duplicates Z: 91 102.732 2.523 1.100 0.718 0.944 0.667 CB 1.776 91 residues pruned to eliminate duplicates Z: 28 56.085 2.467 0.843 0.840 1.000 0.741 CB 1.772 28 residues pruned to eliminate duplicates Z: 44 67.985 2.517 1.084 0.661 0.953 0.651 CB 1.786 44 residues pruned to eliminate duplicates Z: 71 83.222 2.502 1.132 0.647 0.914 0.586 CB 1.779 71 residues pruned to eliminate duplicates Z: 46 62.619 2.478 1.008 0.682 0.933 0.711 CB 1.700 46 residues pruned to eliminate duplicates Z: 185 149.825 2.523 1.185 0.701 0.967 0.625 CB 1.725 185 residues pruned to eliminate duplicates Z: 93 92.451 2.484 0.974 0.709 0.935 0.685 CB 1.740 93 residues pruned to eliminate duplicates Z: 170 145.144 2.539 1.213 0.714 0.941 0.592 CB 1.739 170 residues pruned to eliminate duplicates Z: 173 152.825 2.540 1.204 0.734 0.977 0.651 CB 1.727 64 residues pruned to eliminate duplicates Z: 28 57.613 2.503 1.038 0.773 0.963 0.630 CB 1.772 28 residues pruned to eliminate duplicates Z: 184 149.734 2.528 1.160 0.700 0.967 0.667 CB 1.747 184 residues pruned to eliminate duplicates Z: 129 132.834 2.550 1.173 0.756 0.961 0.625 CB 1.755 129 residues pruned to eliminate duplicates Z: 184 147.661 2.530 1.110 0.706 0.973 0.628 CB 1.743 184 residues pruned to eliminate duplicates Z: 184 145.171 2.522 1.147 0.706 0.956 0.601 CB 1.718 184 residues pruned to eliminate duplicates Z: 92 99.891 2.503 0.995 0.728 0.978 0.714 CB 1.746 92 residues pruned to eliminate duplicates Z: 184 147.357 2.526 1.146 0.704 0.967 0.645 CB 1.725 184 residues pruned to eliminate duplicates Z: 45 59.917 2.501 0.944 0.674 0.909 0.705 CB 1.741 45 residues pruned to eliminate duplicates Z: 230 170.710 2.527 1.158 0.718 0.978 0.629 CB 1.736 230 residues pruned to eliminate duplicates Z: 24 31.879 2.383 0.952 0.484 0.870 0.435 CB 1.670 24 residues pruned to eliminate duplicates Z: 184 148.236 2.531 1.140 0.707 0.967 0.628 CB 1.733 184 residues pruned to eliminate duplicates Z: 185 149.654 2.521 1.176 0.703 0.978 0.598 CB 1.709 174 residues pruned to eliminate duplicates Z: 12 29.628 2.230 1.000 0.754 1.000 0.727 CB 1.598 12 residues pruned to eliminate duplicates Z: 181 153.580 2.535 1.181 0.711 0.978 0.656 CB 1.748 181 residues pruned to eliminate duplicates Z: 181 140.436 2.538 1.003 0.703 0.967 0.717 CB 1.771 181 residues pruned to eliminate duplicates Z: 181 141.636 2.529 1.067 0.696 0.967 0.700 CB 1.747 181 residues pruned to eliminate duplicates Z: 184 135.041 2.510 1.062 0.702 0.945 0.672 CB 1.698 184 residues pruned to eliminate duplicates Z: 182 142.430 2.505 1.118 0.689 0.972 0.608 CB 1.725 182 residues pruned to eliminate duplicates Z: 181 143.407 2.516 1.144 0.701 0.956 0.583 CB 1.727 181 residues pruned to eliminate duplicates Z: 231 160.162 2.497 1.068 0.723 0.970 0.678 CB 1.725 231 residues pruned to eliminate duplicates Z: 14 12.715 2.021 0.554 0.383 0.923 0.462 CB 1.378 Z: 7 4.385 1.686 0.036 0.433 1.000 0.667 CA 1.099 7 residues pruned to eliminate duplicates Z: 182 152.442 2.525 1.203 0.696 0.972 0.536 CB 1.751 196 residues pruned to eliminate duplicates Z: 162 127.059 2.488 0.997 0.686 0.969 0.708 CB 1.755 162 residues pruned to eliminate duplicates Z: 13 11.353 2.119 0.292 0.447 0.917 0.500 CB 1.379 13 residues pruned to eliminate duplicates Z: 143 120.825 2.507 0.995 0.705 0.979 0.683 CB 1.719 143 residues pruned to eliminate duplicates Z: 230 154.553 2.511 1.049 0.711 0.943 0.677 CB 1.738 230 residues pruned to eliminate duplicates Z: 83 88.054 2.517 1.013 0.676 0.939 0.707 CB 1.738 83 residues pruned to eliminate duplicates Z: 122 105.034 2.457 0.990 0.679 0.950 0.694 CB 1.743 122 residues pruned to eliminate duplicates Z: 66 91.708 2.602 1.017 0.741 1.000 0.785 CB 1.747 66 residues pruned to eliminate duplicates Z: 164 115.326 2.472 0.932 0.691 0.926 0.706 CB 1.714 164 residues pruned to eliminate duplicates Z: 82 74.973 2.498 0.837 0.643 0.951 0.753 CB 1.670 82 residues pruned to eliminate duplicates Z: 181 140.173 2.520 1.024 0.692 0.961 0.717 CB 1.787 102 residues pruned to eliminate duplicates Z: 6 9.271 2.013 0.611 0.452 1.000 0.600 CA 1.342 6 residues pruned to eliminate duplicates Z: 119 112.296 2.495 1.058 0.704 0.958 0.703 CB 1.746 119 residues pruned to eliminate duplicates Z: 170 137.051 2.519 1.043 0.708 0.970 0.698 CB 1.747 170 residues pruned to eliminate duplicates Z: 178 132.712 2.479 1.027 0.690 0.949 0.565 CB 1.757 178 residues pruned to eliminate duplicates Z: 185 139.596 2.507 1.050 0.705 0.957 0.685 CB 1.738 185 residues pruned to eliminate duplicates Z: 131 118.663 2.523 1.008 0.735 0.962 0.746 CB 1.730 131 residues pruned to eliminate duplicates Z: 182 138.933 2.521 1.052 0.718 0.934 0.735 CB 1.756 182 residues pruned to eliminate duplicates Z: 180 134.579 2.514 0.965 0.712 0.961 0.709 CB 1.747 180 residues pruned to eliminate duplicates Z: 130 130.465 2.527 1.143 0.756 0.977 0.752 CB 1.729 130 residues pruned to eliminate duplicates Z: 49 72.555 2.470 1.099 0.749 0.958 0.688 CB 1.688 49 residues pruned to eliminate duplicates Z: 90 102.179 2.509 1.064 0.728 0.955 0.742 CB 1.784 90 residues pruned to eliminate duplicates Z: 119 110.798 2.523 1.064 0.692 0.941 0.661 CB 1.747 119 residues pruned to eliminate duplicates Z: 231 168.200 2.517 1.139 0.720 0.974 0.630 CB 1.735 128 residues pruned to eliminate duplicates Z: 20 24.339 2.241 0.559 0.784 0.895 0.632 CB 1.391 20 residues pruned to eliminate duplicates Z: 46 79.568 2.519 1.111 0.808 0.956 0.733 CB 1.785 46 residues pruned to eliminate duplicates Z: 96 94.569 2.476 1.002 0.689 0.937 0.695 CB 1.757 96 residues pruned to eliminate duplicates Z: 230 167.363 2.516 1.161 0.719 0.969 0.638 CB 1.722 230 residues pruned to eliminate duplicates Z: 47 79.942 2.493 1.107 0.786 0.978 0.717 CB 1.784 47 residues pruned to eliminate duplicates Z: 18 42.918 2.361 1.135 0.890 1.000 0.706 CB 1.486 18 residues pruned to eliminate duplicates Z: 230 171.586 2.525 1.177 0.713 0.974 0.638 CB 1.746 230 residues pruned to eliminate duplicates Z: 90 93.017 2.460 0.928 0.698 0.978 0.674 CB 1.775 90 residues pruned to eliminate duplicates Z: 47 73.311 2.485 1.057 0.779 0.935 0.630 CB 1.769 47 residues pruned to eliminate duplicates Z: 230 167.537 2.524 1.175 0.712 0.961 0.620 CB 1.733 230 residues pruned to eliminate duplicates Z: 227 158.994 2.487 1.195 0.694 0.960 0.588 CB 1.690 227 residues pruned to eliminate duplicates Z: 232 172.083 2.510 1.168 0.712 0.983 0.615 CB 1.748 232 residues pruned to eliminate duplicates Z: 47 87.603 2.512 1.288 0.779 0.978 0.717 CB 1.796 47 residues pruned to eliminate duplicates Z: 20 39.334 2.345 1.047 0.778 0.947 0.579 CB 1.553 20 residues pruned to eliminate duplicates Z: 47 87.918 2.512 1.294 0.790 0.978 0.739 CB 1.783 47 residues pruned to eliminate duplicates Z: 20 34.021 2.326 0.982 0.743 0.947 0.421 CB 1.438 20 residues pruned to eliminate duplicates Z: 229 170.334 2.521 1.180 0.709 0.969 0.618 CB 1.751 229 residues pruned to eliminate duplicates Z: 231 171.653 2.505 1.235 0.709 0.974 0.587 CB 1.717 231 residues pruned to eliminate duplicates Z: 92 103.464 2.523 1.071 0.719 0.967 0.648 CB 1.760 92 residues pruned to eliminate duplicates Z: 48 81.403 2.503 1.280 0.770 0.957 0.766 CB 1.711 48 residues pruned to eliminate duplicates Z: 230 166.468 2.523 1.172 0.717 0.952 0.638 CB 1.732 230 residues pruned to eliminate duplicates Z: 227 163.524 2.496 1.172 0.707 0.965 0.606 CB 1.724 227 residues pruned to eliminate duplicates Z: 230 168.310 2.529 1.151 0.717 0.965 0.651 CB 1.740 230 residues pruned to eliminate duplicates Z: 229 170.071 2.514 1.222 0.710 0.969 0.596 CB 1.719 229 residues pruned to eliminate duplicates Z: 228 164.447 2.515 1.159 0.701 0.965 0.630 CB 1.735 228 residues pruned to eliminate duplicates Z: 48 83.048 2.478 1.228 0.775 0.979 0.681 CB 1.759 48 residues pruned to eliminate duplicates Z: 48 81.984 2.499 1.288 0.763 0.957 0.574 CB 1.730 48 residues pruned to eliminate duplicates Z: 47 86.923 2.508 1.328 0.780 0.978 0.587 CB 1.753 47 residues pruned to eliminate duplicates Z: 228 155.501 2.485 1.176 0.693 0.952 0.573 CB 1.682 228 residues pruned to eliminate duplicates Z: 218 173.547 2.541 1.208 0.742 0.972 0.650 CB 1.738 218 residues pruned to eliminate duplicates Z: 48 75.543 2.482 1.285 0.754 0.915 0.574 CB 1.694 48 residues pruned to eliminate duplicates Z: 49 79.179 2.443 1.263 0.763 0.979 0.562 CB 1.672 49 residues pruned to eliminate duplicates Z: 230 176.614 2.528 1.244 0.712 0.974 0.611 CB 1.743 230 residues pruned to eliminate duplicates Z: 48 81.944 2.501 1.349 0.756 0.957 0.596 CB 1.692 48 residues pruned to eliminate duplicates Z: 197 156.405 2.513 1.191 0.725 0.954 0.556 CB 1.736 197 residues pruned to eliminate duplicates Z: 48 77.837 2.437 1.264 0.766 0.957 0.596 CB 1.698 48 residues pruned to eliminate duplicates Z: 46 88.537 2.519 1.399 0.808 0.956 0.667 CB 1.747 46 residues pruned to eliminate duplicates Z: 230 164.901 2.513 1.165 0.711 0.961 0.633 CB 1.722 230 residues pruned to eliminate duplicates Z: 230 168.480 2.517 1.200 0.717 0.961 0.590 CB 1.719 230 residues pruned to eliminate duplicates Z: 230 170.732 2.522 1.211 0.708 0.965 0.576 CB 1.736 230 residues pruned to eliminate duplicates Z: 48 84.216 2.448 1.414 0.768 0.936 0.638 CB 1.751 48 residues pruned to eliminate duplicates Z: 25 79.483 2.587 1.264 0.919 1.000 0.625 CB 1.952 25 residues pruned to eliminate duplicates Z: 185 149.088 2.547 1.178 0.693 0.935 0.598 CB 1.776 185 residues pruned to eliminate duplicates Z: 25 41.764 2.473 1.194 0.562 0.875 0.500 CB 1.689 25 residues pruned to eliminate duplicates Z: 185 153.380 2.552 1.254 0.686 0.951 0.522 CB 1.743 35 residues pruned to eliminate duplicates Z: 6 5.976 1.720 0.556 0.569 0.800 0.800 CA 1.168 Z: 14 36.589 2.462 0.933 0.660 1.000 0.692 CA 1.839 6 residues pruned to eliminate duplicates Z: 14 33.530 2.481 0.766 0.624 1.000 0.615 CA 1.888 14 residues pruned to eliminate duplicates Z: 171 161.350 2.586 1.278 0.722 0.959 0.588 CB 1.793 185 residues pruned to eliminate duplicates Z: 46 71.534 2.522 0.986 0.689 0.978 0.689 CB 1.831 46 residues pruned to eliminate duplicates Z: 61 87.647 2.589 1.092 0.710 0.950 0.733 CB 1.818 61 residues pruned to eliminate duplicates Z: 44 52.729 2.453 0.861 0.590 0.907 0.581 CB 1.783 44 residues pruned to eliminate duplicates Z: 184 161.896 2.562 1.247 0.697 0.984 0.514 CB 1.766 143 residues pruned to eliminate duplicates Z: 9 27.793 2.433 0.748 0.749 1.000 0.625 CA 1.850 9 residues pruned to eliminate duplicates Z: 182 138.648 2.552 1.010 0.692 0.945 0.641 CB 1.785 182 residues pruned to eliminate duplicates Z: 183 151.048 2.556 1.166 0.682 0.956 0.615 CB 1.790 116 residues pruned to eliminate duplicates Z: 6 7.036 2.173 0.766 0.276 0.800 0.800 CA 1.321 Z: 9 9.112 1.914 0.743 0.480 0.875 0.375 CA 1.126 15 residues pruned to eliminate duplicates Z: 102 104.535 2.566 0.962 0.685 0.980 0.733 CB 1.779 102 residues pruned to eliminate duplicates Z: 69 81.421 2.538 1.010 0.612 0.985 0.632 CB 1.767 69 residues pruned to eliminate duplicates Z: 172 135.255 2.565 1.006 0.686 0.947 0.667 CB 1.790 172 residues pruned to eliminate duplicates Z: 182 147.448 2.569 1.107 0.678 0.956 0.619 CB 1.799 182 residues pruned to eliminate duplicates Z: 142 125.378 2.550 1.085 0.700 0.950 0.723 CB 1.741 142 residues pruned to eliminate duplicates Z: 70 75.158 2.521 0.919 0.612 0.942 0.609 CB 1.785 70 residues pruned to eliminate duplicates Z: 185 137.634 2.548 1.033 0.679 0.940 0.658 CB 1.766 185 residues pruned to eliminate duplicates Z: 143 130.779 2.555 1.113 0.686 0.972 0.676 CB 1.764 143 residues pruned to eliminate duplicates Z: 180 135.061 2.544 1.045 0.659 0.944 0.603 CB 1.774 180 residues pruned to eliminate duplicates Z: 182 137.536 2.542 0.976 0.685 0.956 0.729 CB 1.796 132 residues pruned to eliminate duplicates Z: 7 13.149 2.236 0.709 0.452 1.000 0.667 CA 1.477 7 residues pruned to eliminate duplicates Z: 181 138.628 2.538 1.083 0.657 0.950 0.628 CB 1.779 181 residues pruned to eliminate duplicates Z: 114 105.760 2.537 0.989 0.617 0.965 0.566 CB 1.830 114 residues pruned to eliminate duplicates Z: 170 135.228 2.576 0.981 0.725 0.929 0.639 CB 1.791 106 residues pruned to eliminate duplicates Z: 7 3.079 1.832 0.345 0.273 0.667 0.333 CA 0.990 Z: 6 11.605 2.284 0.628 0.590 0.800 0.400 CA 1.601 Z: 6 5.740 1.944 0.790 0.337 0.800 0.600 CA 1.101 6 residues pruned to eliminate duplicates Z: 24 58.708 2.548 1.138 0.793 0.957 0.783 CB 1.817 4 residues pruned to eliminate duplicates Z: 24 58.828 2.568 1.121 0.774 1.000 0.826 CB 1.768 24 residues pruned to eliminate duplicates Z: 183 147.307 2.562 1.104 0.698 0.956 0.654 CB 1.769 216 residues pruned to eliminate duplicates Z: 171 136.759 2.576 0.974 0.703 0.959 0.688 CB 1.788 170 residues pruned to eliminate duplicates Z: 21 54.413 2.555 1.100 0.878 0.950 0.750 CA 1.732 21 residues pruned to eliminate duplicates Z: 144 126.266 2.546 1.093 0.689 0.951 0.727 CB 1.753 144 residues pruned to eliminate duplicates Z: 154 132.166 2.549 1.027 0.693 0.954 0.706 CB 1.816 154 residues pruned to eliminate duplicates Z: 145 130.616 2.565 1.028 0.738 0.944 0.681 CB 1.790 145 residues pruned to eliminate duplicates Z: 144 125.629 2.540 1.059 0.690 0.972 0.706 CB 1.737 144 residues pruned to eliminate duplicates Z: 78 86.731 2.541 1.052 0.650 0.961 0.649 CB 1.715 78 residues pruned to eliminate duplicates Z: 129 141.490 2.599 1.201 0.729 0.984 0.680 CB 1.807 129 residues pruned to eliminate duplicates Z: 182 150.468 2.567 1.148 0.681 0.950 0.586 CB 1.807 182 residues pruned to eliminate duplicates Z: 71 77.723 2.513 0.971 0.608 0.971 0.700 CB 1.742 70 residues pruned to eliminate duplicates Z: 22 62.177 2.537 1.283 0.877 0.952 0.810 CA 1.786 22 residues pruned to eliminate duplicates Z: 171 129.282 2.520 0.940 0.657 0.976 0.653 CB 1.796 129 residues pruned to eliminate duplicates Z: 23 54.078 2.478 0.986 0.887 0.955 0.818 CB 1.770 Z: 22 51.588 2.511 1.065 0.850 0.952 0.714 CB 1.689 45 residues pruned to eliminate duplicates Z: 122 111.516 2.541 1.023 0.665 0.942 0.612 CB 1.797 122 residues pruned to eliminate duplicates Z: 182 143.706 2.557 1.058 0.683 0.956 0.707 CB 1.795 182 residues pruned to eliminate duplicates Z: 77 87.484 2.546 1.040 0.641 0.974 0.724 CB 1.739 77 residues pruned to eliminate duplicates Z: 90 111.783 2.609 1.047 0.750 0.989 0.843 CB 1.796 90 residues pruned to eliminate duplicates Z: 180 139.781 2.539 1.053 0.677 0.944 0.687 CB 1.805 180 residues pruned to eliminate duplicates Z: 102 108.520 2.559 1.023 0.690 0.980 0.693 CB 1.787 102 residues pruned to eliminate duplicates Z: 186 134.330 2.536 1.007 0.692 0.930 0.654 CB 1.751 184 residues pruned to eliminate duplicates Z: 10 37.487 2.547 0.894 0.885 1.000 0.667 CB 1.870 Z: 10 32.187 2.553 0.777 0.886 0.889 0.889 CB 1.920 10 residues pruned to eliminate duplicates Z: 183 136.293 2.531 1.071 0.679 0.945 0.659 CB 1.730 193 residues pruned to eliminate duplicates Z: 186 141.191 2.542 1.080 0.687 0.941 0.670 CB 1.758 186 residues pruned to eliminate duplicates Z: 14 37.969 2.487 1.219 0.675 0.923 0.692 CB 1.760 Z: 14 37.518 2.431 1.082 0.626 1.000 0.615 CB 1.826 14 residues pruned to eliminate duplicates Z: 22 50.079 2.450 1.011 0.754 0.952 0.667 CB 1.857 36 residues pruned to eliminate duplicates Z: 182 135.929 2.545 1.059 0.672 0.939 0.696 CB 1.751 46 residues pruned to eliminate duplicates Z: 11 31.852 2.597 0.548 0.927 1.000 0.900 CB 1.756 Z: 31 61.090 2.497 0.813 0.946 1.000 0.767 CB 1.704 42 residues pruned to eliminate duplicates Z: 132 133.556 2.568 1.180 0.724 0.962 0.740 CB 1.771 132 residues pruned to eliminate duplicates Z: 179 150.321 2.566 1.113 0.680 0.972 0.640 CB 1.812 179 residues pruned to eliminate duplicates Z: 173 145.350 2.574 1.139 0.715 0.936 0.680 CB 1.771 173 residues pruned to eliminate duplicates Z: 182 155.078 2.566 1.149 0.698 0.972 0.652 CB 1.794 182 residues pruned to eliminate duplicates Z: 103 106.008 2.534 1.058 0.678 0.980 0.608 CB 1.742 103 residues pruned to eliminate duplicates Z: 141 131.262 2.567 1.144 0.697 0.957 0.629 CB 1.759 141 residues pruned to eliminate duplicates Z: 141 132.277 2.568 1.104 0.704 0.979 0.693 CB 1.756 141 residues pruned to eliminate duplicates Z: 181 148.250 2.552 1.090 0.700 0.967 0.678 CB 1.786 142 residues pruned to eliminate duplicates Z: 30 69.771 2.466 1.250 0.929 0.966 0.655 CB 1.693 30 residues pruned to eliminate duplicates Z: 138 129.715 2.562 1.100 0.679 0.971 0.591 CB 1.801 138 residues pruned to eliminate duplicates Z: 129 137.092 2.587 1.288 0.723 0.961 0.641 CB 1.742 129 residues pruned to eliminate duplicates Z: 185 146.413 2.556 1.128 0.700 0.946 0.641 CB 1.750 185 residues pruned to eliminate duplicates Z: 147 137.556 2.552 1.247 0.700 0.959 0.637 CB 1.726 147 residues pruned to eliminate duplicates Z: 180 152.098 2.579 1.121 0.685 0.978 0.626 CB 1.794 180 residues pruned to eliminate duplicates Z: 231 163.793 2.537 1.144 0.710 0.939 0.617 CB 1.747 232 residues pruned to eliminate duplicates Z: 31 77.424 2.523 1.408 0.912 1.000 0.500 CB 1.647 31 residues pruned to eliminate duplicates Z: 144 130.285 2.541 1.210 0.693 0.944 0.608 CB 1.722 144 residues pruned to eliminate duplicates Z: 106 123.837 2.572 1.187 0.750 0.962 0.629 CB 1.786 106 residues pruned to eliminate duplicates Z: 142 135.857 2.563 1.259 0.699 0.943 0.553 CB 1.747 142 residues pruned to eliminate duplicates Z: 231 167.557 2.529 1.181 0.698 0.952 0.617 CB 1.756 231 residues pruned to eliminate duplicates Z: 183 146.957 2.547 1.122 0.687 0.973 0.615 CB 1.745 183 residues pruned to eliminate duplicates Z: 177 151.562 2.561 1.184 0.676 0.977 0.597 CB 1.777 177 residues pruned to eliminate duplicates Z: 142 133.977 2.551 1.213 0.703 0.950 0.631 CB 1.748 142 residues pruned to eliminate duplicates Z: 181 148.179 2.544 1.194 0.674 0.950 0.539 CB 1.775 181 residues pruned to eliminate duplicates Z: 184 147.476 2.543 1.166 0.677 0.951 0.557 CB 1.769 184 residues pruned to eliminate duplicates Z: 183 137.379 2.549 1.070 0.682 0.945 0.549 CB 1.727 183 residues pruned to eliminate duplicates Z: 140 129.567 2.565 1.177 0.703 0.957 0.583 CB 1.711 140 residues pruned to eliminate duplicates Z: 157 137.203 2.548 1.193 0.698 0.955 0.603 CB 1.717 157 residues pruned to eliminate duplicates Z: 184 147.684 2.538 1.182 0.700 0.940 0.568 CB 1.749 184 residues pruned to eliminate duplicates Z: 185 140.123 2.536 1.156 0.687 0.924 0.560 CB 1.723 185 residues pruned to eliminate duplicates Z: 182 145.512 2.557 1.136 0.684 0.945 0.564 CB 1.770 182 residues pruned to eliminate duplicates Z: 140 130.961 2.568 1.225 0.705 0.935 0.511 CB 1.724 140 residues pruned to eliminate duplicates Z: 186 145.087 2.545 1.136 0.693 0.946 0.573 CB 1.739 186 residues pruned to eliminate duplicates Z: 180 145.320 2.580 1.162 0.708 0.922 0.531 CB 1.748 180 residues pruned to eliminate duplicates Z: 160 141.080 2.538 1.177 0.697 0.950 0.591 CB 1.782 160 residues pruned to eliminate duplicates Z: 143 137.798 2.556 1.297 0.694 0.965 0.570 CB 1.710 143 residues pruned to eliminate duplicates Z: 185 151.484 2.560 1.203 0.701 0.946 0.565 CB 1.744 185 residues pruned to eliminate duplicates Z: 184 145.977 2.531 1.187 0.685 0.940 0.557 CB 1.750 184 residues pruned to eliminate duplicates Z: 183 147.765 2.541 1.167 0.688 0.940 0.566 CB 1.782 183 residues pruned to eliminate duplicates Z: 178 146.347 2.536 1.243 0.673 0.944 0.554 CB 1.748 178 residues pruned to eliminate duplicates Z: 184 152.229 2.546 1.199 0.696 0.956 0.607 CB 1.758 184 residues pruned to eliminate duplicates Z: 182 157.140 2.554 1.247 0.694 0.956 0.503 CB 1.784 182 residues pruned to eliminate duplicates Z: 144 138.746 2.552 1.325 0.690 0.951 0.538 CB 1.727 144 residues pruned to eliminate duplicates Z: 184 147.389 2.556 1.204 0.698 0.934 0.530 CB 1.727 184 residues pruned to eliminate duplicates Z: 185 143.747 2.539 1.182 0.695 0.940 0.505 CB 1.702 185 residues pruned to eliminate duplicates Z: 129 142.035 2.590 1.375 0.736 0.953 0.594 CB 1.733 129 residues pruned to eliminate duplicates Z: 184 146.626 2.532 1.215 0.686 0.945 0.557 CB 1.723 184 residues pruned to eliminate duplicates Z: 185 148.035 2.552 1.219 0.699 0.929 0.527 CB 1.730 185 residues pruned to eliminate duplicates Z: 144 141.109 2.540 1.284 0.699 0.972 0.615 CB 1.744 144 residues pruned to eliminate duplicates Z: 175 150.310 2.563 1.232 0.687 0.954 0.603 CB 1.758 175 residues pruned to eliminate duplicates Z: 183 142.327 2.525 1.172 0.679 0.945 0.593 CB 1.726 183 residues pruned to eliminate duplicates Z: 183 149.967 2.549 1.172 0.679 0.962 0.571 CB 1.771 183 residues pruned to eliminate duplicates Z: 31 45.396 2.514 1.064 0.575 0.900 0.567 CB 1.651 31 residues pruned to eliminate duplicates Z: 179 145.852 2.543 1.141 0.688 0.966 0.511 CB 1.749 179 residues pruned to eliminate duplicates Z: 128 142.886 2.604 1.309 0.740 0.961 0.685 CB 1.770 128 residues pruned to eliminate duplicates Z: 127 127.354 2.564 1.273 0.679 0.952 0.500 CB 1.734 127 residues pruned to eliminate duplicates Z: 32 46.747 2.513 1.133 0.575 0.871 0.613 CB 1.673 32 residues pruned to eliminate duplicates Z: 169 151.959 2.582 1.249 0.726 0.935 0.595 CB 1.763 169 residues pruned to eliminate duplicates Z: 129 147.082 2.598 1.332 0.741 0.984 0.664 CB 1.757 129 residues pruned to eliminate duplicates Z: 144 139.798 2.543 1.305 0.691 0.965 0.587 CB 1.735 144 residues pruned to eliminate duplicates Z: 182 151.810 2.545 1.196 0.699 0.961 0.492 CB 1.752 182 residues pruned to eliminate duplicates Z: 72 86.575 2.512 1.090 0.664 0.944 0.507 CB 1.782 72 residues pruned to eliminate duplicates Z: 183 144.193 2.554 1.146 0.683 0.945 0.555 CB 1.745 183 residues pruned to eliminate duplicates Z: 128 128.772 2.558 1.152 0.750 0.953 0.598 CB 1.742 128 residues pruned to eliminate duplicates Z: 92 107.340 2.505 1.354 0.754 0.934 0.527 CB 1.628 92 residues pruned to eliminate duplicates Z: 186 150.151 2.551 1.199 0.705 0.946 0.584 CB 1.726 186 residues pruned to eliminate duplicates Z: 55 96.066 2.574 1.393 0.751 0.981 0.741 CB 1.728 55 residues pruned to eliminate duplicates Z: 145 142.546 2.567 1.300 0.696 0.965 0.583 CB 1.744 145 residues pruned to eliminate duplicates Z: 147 138.525 2.554 1.247 0.704 0.952 0.596 CB 1.743 147 residues pruned to eliminate duplicates Z: 176 152.490 2.566 1.223 0.698 0.954 0.560 CB 1.767 176 residues pruned to eliminate duplicates Z: 179 139.505 2.524 1.132 0.666 0.961 0.534 CB 1.735 179 residues pruned to eliminate duplicates Z: 129 137.707 2.591 1.223 0.739 0.969 0.641 CB 1.760 129 residues pruned to eliminate duplicates Z: 60 91.185 2.543 1.211 0.735 0.983 0.610 CB 1.739 60 residues pruned to eliminate duplicates Z: 81 112.797 2.562 1.359 0.796 0.975 0.562 CB 1.651 81 residues pruned to eliminate duplicates Z: 142 144.893 2.561 1.355 0.704 0.965 0.560 CB 1.742 142 residues pruned to eliminate duplicates Z: 132 142.879 2.579 1.360 0.723 0.969 0.664 CB 1.730 132 residues pruned to eliminate duplicates Z: 185 148.803 2.550 1.214 0.700 0.946 0.554 CB 1.713 185 residues pruned to eliminate duplicates Z: 162 136.331 2.533 1.140 0.691 0.950 0.578 CB 1.751 162 residues pruned to eliminate duplicates Z: 181 143.717 2.564 1.138 0.691 0.933 0.506 CB 1.757 181 residues pruned to eliminate duplicates Z: 184 145.704 2.565 1.126 0.689 0.945 0.557 CB 1.756 184 residues pruned to eliminate duplicates Z: 180 149.937 2.566 1.170 0.680 0.961 0.581 CB 1.776 180 residues pruned to eliminate duplicates Z: 47 60.041 2.437 1.007 0.651 0.848 0.522 CB 1.855 47 residues pruned to eliminate duplicates Z: 18 35.611 2.454 0.861 0.726 0.824 0.588 CB 1.874 18 residues pruned to eliminate duplicates Z: 185 147.955 2.529 1.175 0.675 0.967 0.554 CB 1.743 185 residues pruned to eliminate duplicates Z: 158 144.060 2.550 1.195 0.708 0.968 0.535 CB 1.756 158 residues pruned to eliminate duplicates Z: 185 155.010 2.552 1.245 0.700 0.962 0.598 CB 1.729 185 residues pruned to eliminate duplicates Z: 45 65.418 2.482 1.045 0.696 0.909 0.545 CB 1.787 45 residues pruned to eliminate duplicates Z: 185 157.442 2.561 1.240 0.697 0.962 0.554 CB 1.758 185 residues pruned to eliminate duplicates Z: 45 67.610 2.499 1.035 0.669 0.955 0.432 CB 1.796 45 residues pruned to eliminate duplicates Z: 187 151.847 2.542 1.195 0.695 0.952 0.602 CB 1.755 187 residues pruned to eliminate duplicates Z: 184 156.642 2.568 1.213 0.697 0.956 0.579 CB 1.779 184 residues pruned to eliminate duplicates Z: 184 142.947 2.534 1.161 0.688 0.940 0.514 CB 1.727 184 residues pruned to eliminate duplicates Z: 77 69.929 2.462 0.970 0.623 0.868 0.513 CB 1.695 77 residues pruned to eliminate duplicates Z: 185 150.129 2.554 1.189 0.686 0.946 0.587 CB 1.765 185 residues pruned to eliminate duplicates Z: 184 156.333 2.561 1.180 0.699 0.973 0.607 CB 1.775 184 residues pruned to eliminate duplicates Z: 44 69.286 2.537 1.083 0.668 0.907 0.558 CB 1.888 44 residues pruned to eliminate duplicates Z: 184 157.512 2.569 1.238 0.695 0.956 0.546 CB 1.772 184 residues pruned to eliminate duplicates Z: 187 144.593 2.544 1.191 0.666 0.925 0.597 CB 1.764 187 residues pruned to eliminate duplicates Z: 39 58.126 2.480 0.995 0.606 0.947 0.632 CB 1.818 39 residues pruned to eliminate duplicates Z: 44 68.900 2.538 1.018 0.666 0.930 0.628 CB 1.892 41 residues pruned to eliminate duplicates Z: 27 51.107 2.408 1.042 0.790 0.846 0.654 CA 1.867 27 residues pruned to eliminate duplicates Z: 185 154.170 2.557 1.233 0.690 0.951 0.571 CB 1.760 185 residues pruned to eliminate duplicates Z: 183 149.314 2.538 1.222 0.678 0.945 0.555 CB 1.763 183 residues pruned to eliminate duplicates Z: 183 155.609 2.567 1.209 0.691 0.962 0.593 CB 1.776 183 residues pruned to eliminate duplicates Z: 89 96.125 2.454 1.073 0.724 0.955 0.614 CB 1.723 89 residues pruned to eliminate duplicates Z: 58 55.054 2.241 0.967 0.678 0.877 0.596 CB 1.600 58 residues pruned to eliminate duplicates Z: 218 163.082 2.552 1.175 0.702 0.954 0.604 CB 1.739 218 residues pruned to eliminate duplicates Z: 231 175.171 2.542 1.203 0.710 0.965 0.670 CB 1.765 231 residues pruned to eliminate duplicates Z: 34 65.368 2.464 1.178 0.796 1.000 0.576 CB 1.635 34 residues pruned to eliminate duplicates Z: 229 167.800 2.517 1.202 0.706 0.956 0.596 CB 1.739 229 residues pruned to eliminate duplicates Z: 89 99.423 2.503 0.978 0.705 0.977 0.580 CB 1.817 89 residues pruned to eliminate duplicates Z: 34 65.819 2.477 1.127 0.800 1.000 0.697 CB 1.673 34 residues pruned to eliminate duplicates Z: 47 72.748 2.433 1.105 0.793 0.935 0.565 CB 1.733 47 residues pruned to eliminate duplicates Z: 89 86.281 2.435 0.990 0.676 0.920 0.705 CB 1.753 89 residues pruned to eliminate duplicates Z: 47 72.026 2.436 1.030 0.758 0.957 0.652 CB 1.785 47 residues pruned to eliminate duplicates Z: 47 79.552 2.444 1.234 0.807 0.935 0.609 CB 1.758 47 residues pruned to eliminate duplicates Z: 53 66.357 2.329 1.080 0.751 0.923 0.615 CB 1.645 53 residues pruned to eliminate duplicates Z: 94 104.304 2.481 1.095 0.710 0.946 0.634 CB 1.817 94 residues pruned to eliminate duplicates Z: 47 79.190 2.431 1.148 0.809 0.978 0.696 CB 1.746 47 residues pruned to eliminate duplicates Z: 47 73.026 2.453 1.009 0.799 0.957 0.674 CB 1.759 47 residues pruned to eliminate duplicates Z: 230 177.884 2.549 1.234 0.707 0.965 0.611 CB 1.772 230 residues pruned to eliminate duplicates Z: 47 77.697 2.456 1.160 0.798 0.957 0.717 CB 1.739 47 residues pruned to eliminate duplicates Z: 51 69.632 2.309 1.215 0.758 0.960 0.560 CB 1.594 51 residues pruned to eliminate duplicates Z: 48 76.319 2.443 1.161 0.797 0.957 0.766 CB 1.697 48 residues pruned to eliminate duplicates Z: 28 76.883 2.514 1.295 0.815 1.000 0.889 CA 1.951 28 residues pruned to eliminate duplicates Z: 118 120.860 2.496 1.197 0.700 0.974 0.641 CB 1.742 118 residues pruned to eliminate duplicates Z: 49 81.594 2.428 1.214 0.807 0.958 0.771 CB 1.749 49 residues pruned to eliminate duplicates Z: 48 74.520 2.427 1.172 0.790 0.936 0.745 CB 1.708 48 residues pruned to eliminate duplicates Z: 227 163.239 2.534 1.166 0.699 0.947 0.571 CB 1.742 227 residues pruned to eliminate duplicates Z: 230 180.578 2.551 1.240 0.705 0.974 0.616 CB 1.779 230 residues pruned to eliminate duplicates Z: 51 69.249 2.370 1.039 0.746 0.940 0.620 CB 1.730 51 residues pruned to eliminate duplicates Z: 49 76.394 2.417 1.222 0.773 0.979 0.708 CB 1.647 49 residues pruned to eliminate duplicates Z: 81 101.652 2.505 1.114 0.731 0.975 0.650 CB 1.789 81 residues pruned to eliminate duplicates Z: 217 165.897 2.548 1.177 0.697 0.972 0.602 CB 1.749 217 residues pruned to eliminate duplicates Z: 82 95.939 2.506 1.013 0.723 0.963 0.667 CB 1.793 82 residues pruned to eliminate duplicates Z: 91 100.662 2.495 1.086 0.710 0.944 0.678 CB 1.784 91 residues pruned to eliminate duplicates Z: 47 73.214 2.473 1.104 0.793 0.957 0.739 CB 1.677 47 residues pruned to eliminate duplicates Z: 51 76.504 2.388 1.209 0.765 0.960 0.660 CB 1.689 51 residues pruned to eliminate duplicates Z: 95 103.818 2.474 1.087 0.696 0.968 0.596 CB 1.792 95 residues pruned to eliminate duplicates Z: 228 181.083 2.560 1.238 0.718 0.978 0.608 CB 1.760 228 residues pruned to eliminate duplicates Z: 89 96.678 2.476 1.169 0.690 0.920 0.557 CB 1.752 89 residues pruned to eliminate duplicates Z: 46 79.606 2.478 1.218 0.806 0.956 0.578 CB 1.729 46 residues pruned to eliminate duplicates Z: 47 91.289 2.464 1.489 0.802 0.978 0.630 CB 1.724 47 residues pruned to eliminate duplicates Z: 25 88.250 2.572 1.495 0.949 1.000 0.708 CB 1.937 25 residues pruned to eliminate duplicates Z: 47 83.357 2.440 1.281 0.794 0.978 0.674 CB 1.744 47 residues pruned to eliminate duplicates Z: 230 149.599 2.479 1.127 0.664 0.934 0.524 CB 1.723 230 residues pruned to eliminate duplicates 455 residues left after pruning, divided into chains as follows: A: 179 B: 48 C: 181 D: 47 CC for partial structure against native data = 46.74 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.817, Connect. = 0.770 for dens.mod. cycle 1 = 0.300, Contrast = 0.945, Connect. = 0.801 for dens.mod. cycle 2 = 0.300, Contrast = 1.155, Connect. = 0.824 for dens.mod. cycle 3 = 0.300, Contrast = 1.202, Connect. = 0.827 for dens.mod. cycle 4 = 0.300, Contrast = 1.238, Connect. = 0.829 for dens.mod. cycle 5 = 0.300, Contrast = 1.256, Connect. = 0.831 for dens.mod. cycle 6 = 0.300, Contrast = 1.270, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.278, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.283, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.285, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3072 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 608 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 20.424 2.221 0.611 0.865 0.909 0.909 CB 1.387 B: 21 60.094 2.589 1.019 0.890 1.000 0.750 CA 1.850 C: 11 39.290 2.486 1.128 0.924 1.000 0.800 CB 1.649 D: 26 75.985 2.583 1.161 0.950 0.960 0.800 CA 1.956 E: 19 61.659 2.388 1.445 0.865 0.944 0.833 CB 1.931 F: 30 70.199 2.554 1.183 0.952 0.966 0.759 CB 1.668 G: 22 54.623 2.462 1.274 0.840 0.905 0.571 CA 1.755 22 residues pruned to eliminate duplicates H: 21 61.118 2.595 1.238 0.848 0.950 0.700 CA 1.838 21 residues pruned to eliminate duplicates I: 26 75.814 2.551 1.137 0.927 1.000 0.720 CA 1.949 26 residues pruned to eliminate duplicates J: 11 32.305 2.334 0.758 0.863 1.000 0.700 CA 1.827 12 residues pruned to eliminate duplicates K: 28 62.299 2.557 0.959 0.946 0.963 0.852 CB 1.719 L: 19 52.578 2.451 0.940 0.926 1.000 0.944 CB 1.827 19 residues pruned to eliminate duplicates M: 22 68.095 2.615 1.376 0.950 1.000 0.619 CB 1.650 22 residues pruned to eliminate duplicates N: 22 63.914 2.552 1.162 0.875 1.000 0.667 CA 1.839 O: 21 53.279 2.562 0.967 0.860 1.000 0.600 CB 1.739 21 residues pruned to eliminate duplicates P: 25 73.234 2.585 1.323 0.938 0.917 0.625 CB 1.888 Q: 12 33.038 2.326 1.316 0.891 1.000 0.545 CB 1.330 12 residues pruned to eliminate duplicates R: 25 62.681 2.531 0.911 0.944 0.958 0.833 CB 1.912 25 residues pruned to eliminate duplicates S: 22 54.602 2.483 1.005 0.860 1.000 0.762 CA 1.759 22 residues pruned to eliminate duplicates T: 28 49.635 2.563 0.507 0.951 1.000 0.963 CB 1.704 28 residues pruned to eliminate duplicates U: 15 34.614 2.592 1.042 0.658 0.857 0.429 CB 1.761 V: 25 66.951 2.506 1.007 0.941 1.000 0.833 CB 1.886 25 residues pruned to eliminate duplicates W: 30 53.540 2.411 0.910 0.904 0.966 0.897 CB 1.592 30 residues pruned to eliminate duplicates X: 10 34.713 2.549 0.640 0.895 1.000 0.889 CA 1.984 11 residues pruned to eliminate duplicates Y: 25 67.827 2.539 1.355 0.894 0.917 0.542 CB 1.812 25 residues pruned to eliminate duplicates Z: 26 65.527 2.553 1.172 0.932 0.840 0.600 CA 1.965 26 residues pruned to eliminate duplicates Z: 21 63.068 2.604 1.160 0.889 1.000 0.800 CB 1.805 21 residues pruned to eliminate duplicates Z: 12 29.818 2.570 0.544 0.858 0.909 0.909 CB 1.835 12 residues pruned to eliminate duplicates Z: 10 21.415 2.182 1.066 0.874 0.778 0.778 CA 1.482 10 residues pruned to eliminate duplicates Z: 32 60.043 2.428 1.344 0.872 0.903 0.645 CB 1.529 31 residues pruned to eliminate duplicates Z: 18 60.905 2.426 1.457 0.903 0.941 0.647 CB 1.877 Z: 27 83.166 2.484 1.506 0.940 0.962 0.654 CA 1.893 26 residues pruned to eliminate duplicates Z: 25 67.876 2.571 0.918 0.951 1.000 0.875 CA 1.937 25 residues pruned to eliminate duplicates Z: 13 37.954 2.400 0.761 0.900 1.000 0.833 CB 1.852 13 residues pruned to eliminate duplicates Z: 22 51.354 2.485 1.050 0.819 0.952 0.714 CA 1.751 22 residues pruned to eliminate duplicates Z: 19 58.622 2.469 1.162 0.928 1.000 0.889 CB 1.813 19 residues pruned to eliminate duplicates Z: 22 44.963 2.351 1.069 0.800 0.952 0.524 CB 1.629 Z: 17 48.337 2.518 0.850 0.925 1.000 0.938 CA 1.821 17 residues pruned to eliminate duplicates Z: 18 65.917 2.540 1.432 0.892 1.000 0.647 CB 1.859 18 residues pruned to eliminate duplicates Z: 18 64.092 2.574 1.422 0.924 1.000 0.471 CB 1.751 19 residues pruned to eliminate duplicates Z: 22 61.823 2.485 1.227 0.868 1.000 0.714 CB 1.782 21 residues pruned to eliminate duplicates Z: 11 31.171 2.459 0.876 0.830 1.000 0.700 CB 1.607 Z: 27 58.305 2.432 0.884 0.926 1.000 0.808 CB 1.750 Z: 18 65.419 2.422 1.513 0.941 1.000 0.471 CB 1.809 18 residues pruned to eliminate duplicates Z: 22 51.808 2.458 1.096 0.866 0.952 0.571 CB 1.687 22 residues pruned to eliminate duplicates Z: 28 66.559 2.495 1.283 0.911 1.000 0.593 CB 1.593 27 residues pruned to eliminate duplicates Z: 26 84.297 2.542 1.476 0.911 0.960 0.640 CB 1.978 28 residues pruned to eliminate duplicates Z: 30 68.504 2.537 1.154 0.916 0.966 0.724 CB 1.703 30 residues pruned to eliminate duplicates Z: 17 49.394 2.518 1.018 0.945 1.000 1.000 CB 1.682 17 residues pruned to eliminate duplicates Z: 14 38.696 2.605 0.873 0.925 0.923 0.846 CB 1.672 14 residues pruned to eliminate duplicates Z: 32 58.898 2.453 0.946 0.913 0.968 0.839 CB 1.621 28 residues pruned to eliminate duplicates Z: 21 44.864 2.357 1.163 0.820 0.900 0.600 CB 1.657 15 residues pruned to eliminate duplicates Z: 25 83.006 2.620 1.423 0.934 0.958 0.542 CB 1.942 25 residues pruned to eliminate duplicates Z: 31 53.039 2.501 0.587 0.925 0.967 0.933 CB 1.772 31 residues pruned to eliminate duplicates Z: 25 86.231 2.597 1.508 0.918 1.000 0.542 CB 1.906 25 residues pruned to eliminate duplicates Z: 25 68.968 2.525 1.257 0.948 0.917 0.500 CB 1.861 25 residues pruned to eliminate duplicates Z: 19 56.603 2.457 1.277 0.933 1.000 0.722 CB 1.665 19 residues pruned to eliminate duplicates Z: 19 56.373 2.490 1.238 0.930 1.000 0.722 CB 1.668 19 residues pruned to eliminate duplicates Z: 33 65.307 2.423 1.159 0.939 1.000 0.719 CB 1.534 33 residues pruned to eliminate duplicates Z: 112 99.596 2.525 0.992 0.618 0.928 0.613 CB 1.812 76 residues pruned to eliminate duplicates Z: 26 68.236 2.561 1.110 0.942 1.000 0.840 CB 1.752 27 residues pruned to eliminate duplicates Z: 31 74.691 2.574 1.225 0.920 0.967 0.733 CB 1.734 31 residues pruned to eliminate duplicates Z: 169 153.948 2.573 1.204 0.707 0.976 0.560 CB 1.778 119 residues pruned to eliminate duplicates Z: 26 81.255 2.555 1.522 0.923 0.920 0.480 CB 1.926 26 residues pruned to eliminate duplicates Z: 10 24.504 2.533 0.537 0.853 0.889 0.778 CB 1.744 10 residues pruned to eliminate duplicates Z: 22 64.364 2.494 1.367 0.865 1.000 0.667 CB 1.743 22 residues pruned to eliminate duplicates Z: 21 34.728 2.404 0.691 0.753 0.900 0.600 CA 1.694 21 residues pruned to eliminate duplicates Z: 22 59.854 2.521 1.052 0.856 1.000 0.857 CB 1.862 22 residues pruned to eliminate duplicates Z: 19 59.793 2.374 1.350 0.912 1.000 0.833 CB 1.789 19 residues pruned to eliminate duplicates Z: 26 69.700 2.510 1.212 0.874 1.000 0.760 CB 1.828 26 residues pruned to eliminate duplicates Z: 32 56.214 2.422 0.757 0.922 1.000 0.968 CB 1.668 32 residues pruned to eliminate duplicates Z: 32 55.329 2.470 0.767 0.898 0.968 0.903 CB 1.683 32 residues pruned to eliminate duplicates Z: 22 58.482 2.528 1.054 0.868 1.000 0.714 CA 1.797 22 residues pruned to eliminate duplicates Z: 32 65.749 2.432 1.293 0.893 0.935 0.677 CB 1.625 32 residues pruned to eliminate duplicates Z: 27 51.318 2.448 0.805 0.861 0.923 0.808 CA 1.814 27 residues pruned to eliminate duplicates Z: 18 59.665 2.405 1.338 0.907 1.000 0.824 CB 1.830 18 residues pruned to eliminate duplicates Z: 20 53.535 2.391 1.079 0.919 1.000 0.895 CB 1.741 20 residues pruned to eliminate duplicates Z: 28 55.548 2.473 0.882 0.911 0.963 0.778 CB 1.691 28 residues pruned to eliminate duplicates Z: 12 32.924 2.321 0.906 0.833 1.000 0.727 CB 1.683 12 residues pruned to eliminate duplicates Z: 25 79.451 2.591 1.306 0.929 0.958 0.625 CB 1.982 25 residues pruned to eliminate duplicates Z: 18 69.510 2.497 1.681 0.890 1.000 0.471 CB 1.811 18 residues pruned to eliminate duplicates Z: 26 63.440 2.513 0.847 0.909 1.000 0.880 CA 1.940 26 residues pruned to eliminate duplicates Z: 27 37.490 2.391 0.447 0.949 0.962 0.885 CB 1.525 26 residues pruned to eliminate duplicates Z: 28 53.486 2.388 0.940 0.810 0.926 0.778 CA 1.831 28 residues pruned to eliminate duplicates Z: 32 67.266 2.489 0.947 0.944 1.000 0.903 CB 1.726 33 residues pruned to eliminate duplicates Z: 19 42.692 2.392 0.935 0.879 0.889 0.722 CA 1.773 19 residues pruned to eliminate duplicates Z: 20 50.813 2.320 1.264 0.870 0.947 0.632 CB 1.710 20 residues pruned to eliminate duplicates Z: 26 75.458 2.486 1.202 0.951 1.000 0.840 CA 1.900 26 residues pruned to eliminate duplicates Z: 26 72.162 2.540 1.118 0.943 0.960 0.880 CA 1.937 26 residues pruned to eliminate duplicates Z: 24 51.876 2.619 0.861 0.929 0.957 0.826 CB 1.624 24 residues pruned to eliminate duplicates Z: 31 68.609 2.544 1.145 0.924 0.967 0.600 CB 1.668 31 residues pruned to eliminate duplicates Z: 26 61.243 2.504 0.974 0.922 0.920 0.800 CB 1.893 26 residues pruned to eliminate duplicates Z: 14 38.369 2.443 0.995 0.911 0.923 0.846 CB 1.676 14 residues pruned to eliminate duplicates Z: 23 54.010 2.372 1.078 0.867 0.955 0.682 CB 1.790 23 residues pruned to eliminate duplicates Z: 27 79.036 2.543 1.395 0.933 1.000 0.769 CB 1.775 27 residues pruned to eliminate duplicates Z: 17 53.086 2.520 1.011 0.928 1.000 0.875 CA 1.834 17 residues pruned to eliminate duplicates Z: 30 58.313 2.512 0.853 0.939 0.966 0.931 CB 1.674 30 residues pruned to eliminate duplicates Z: 26 55.619 2.499 0.801 0.928 0.960 0.880 CA 1.802 26 residues pruned to eliminate duplicates Z: 27 57.180 2.528 0.864 0.870 0.923 0.538 CB 1.883 27 residues pruned to eliminate duplicates Z: 19 34.114 2.340 0.831 0.819 0.944 0.667 CB 1.507 Z: 31 76.763 2.546 1.381 0.955 0.967 0.800 CB 1.644 32 residues pruned to eliminate duplicates Z: 28 59.565 2.448 1.002 0.865 0.963 0.815 CB 1.780 22 residues pruned to eliminate duplicates Z: 28 67.758 2.510 1.175 0.930 1.000 0.815 CB 1.671 28 residues pruned to eliminate duplicates Z: 17 46.430 2.454 0.787 0.919 1.000 0.938 CB 1.865 17 residues pruned to eliminate duplicates Z: 28 58.380 2.368 1.098 0.921 0.963 0.481 CB 1.653 Z: 28 55.392 2.433 1.008 0.822 0.926 0.667 CB 1.783 28 residues pruned to eliminate duplicates Z: 27 64.080 2.436 1.181 0.941 0.885 0.500 CB 1.855 28 residues pruned to eliminate duplicates Z: 26 62.157 2.531 0.918 0.919 0.960 0.880 CA 1.879 26 residues pruned to eliminate duplicates Z: 32 70.883 2.485 1.366 0.938 0.935 0.710 CB 1.610 32 residues pruned to eliminate duplicates Z: 19 57.306 2.448 1.390 0.866 0.944 0.556 CB 1.789 19 residues pruned to eliminate duplicates Z: 31 73.178 2.521 1.350 0.948 0.967 0.667 CB 1.611 31 residues pruned to eliminate duplicates Z: 24 86.021 2.597 1.666 0.947 0.957 0.391 CB 1.871 24 residues pruned to eliminate duplicates Z: 27 65.936 2.486 1.069 0.902 0.962 0.769 CA 1.865 27 residues pruned to eliminate duplicates Z: 11 34.069 2.456 0.939 0.784 1.000 0.600 CA 1.763 Z: 31 73.182 2.561 1.040 0.921 1.000 0.833 CB 1.800 31 residues pruned to eliminate duplicates Z: 26 67.241 2.488 1.456 0.913 0.840 0.240 CB 1.855 26 residues pruned to eliminate duplicates Z: 26 70.753 2.486 1.242 0.899 1.000 0.680 CB 1.814 26 residues pruned to eliminate duplicates Z: 14 52.078 2.563 1.157 0.935 1.000 0.923 CB 1.820 14 residues pruned to eliminate duplicates Z: 17 51.947 2.478 1.082 0.886 1.000 0.938 CB 1.816 17 residues pruned to eliminate duplicates Z: 18 58.398 2.516 1.304 0.910 1.000 0.824 CB 1.732 18 residues pruned to eliminate duplicates Z: 32 65.437 2.461 1.428 0.920 0.871 0.387 CB 1.590 32 residues pruned to eliminate duplicates Z: 29 85.813 2.632 1.607 0.962 1.000 0.643 CB 1.617 30 residues pruned to eliminate duplicates Z: 27 60.589 2.507 0.873 0.820 1.000 0.615 CA 1.917 27 residues pruned to eliminate duplicates Z: 15 37.971 2.324 1.407 0.803 0.929 0.500 CB 1.498 15 residues pruned to eliminate duplicates Z: 21 49.698 2.479 0.971 0.856 0.950 0.650 CA 1.766 21 residues pruned to eliminate duplicates Z: 14 34.521 2.359 0.706 0.841 1.000 0.692 CA 1.773 14 residues pruned to eliminate duplicates Z: 27 70.179 2.458 1.318 0.923 0.923 0.692 CB 1.839 27 residues pruned to eliminate duplicates Z: 22 56.743 2.458 1.097 0.855 1.000 0.762 CB 1.773 22 residues pruned to eliminate duplicates Z: 31 60.637 2.516 0.848 0.937 0.967 0.867 CB 1.713 31 residues pruned to eliminate duplicates Z: 28 57.108 2.475 0.998 0.938 1.000 0.630 CB 1.545 28 residues pruned to eliminate duplicates Z: 26 77.477 2.514 1.449 0.912 0.960 0.440 CB 1.858 26 residues pruned to eliminate duplicates Z: 18 60.663 2.508 1.196 0.907 1.000 0.647 CB 1.899 18 residues pruned to eliminate duplicates Z: 30 82.849 2.554 1.493 0.958 1.000 0.517 CB 1.657 30 residues pruned to eliminate duplicates Z: 26 62.999 2.442 1.246 0.919 1.000 0.760 CB 1.620 26 residues pruned to eliminate duplicates Z: 20 40.571 2.462 0.656 0.877 0.947 0.842 CB 1.751 20 residues pruned to eliminate duplicates Z: 20 49.979 2.525 0.829 0.863 1.000 0.632 CB 1.821 20 residues pruned to eliminate duplicates Z: 24 68.331 2.603 0.984 0.951 0.957 0.826 CB 1.988 24 residues pruned to eliminate duplicates Z: 31 51.917 2.474 0.579 0.940 1.000 0.933 CB 1.685 31 residues pruned to eliminate duplicates Z: 25 77.374 2.421 1.416 0.951 1.000 0.625 CB 1.860 25 residues pruned to eliminate duplicates Z: 18 37.264 2.328 1.115 0.839 0.941 0.529 CB 1.456 19 residues pruned to eliminate duplicates Z: 25 50.464 2.374 1.139 0.913 0.917 0.333 CB 1.566 25 residues pruned to eliminate duplicates Z: 17 72.555 2.543 1.720 0.913 1.000 0.562 CB 1.855 19 residues pruned to eliminate duplicates Z: 27 71.318 2.451 1.386 0.887 0.962 0.462 CB 1.793 27 residues pruned to eliminate duplicates Z: 29 61.565 2.489 1.039 0.946 0.964 0.821 CB 1.644 29 residues pruned to eliminate duplicates Z: 22 63.197 2.538 1.174 0.873 1.000 0.810 CA 1.820 22 residues pruned to eliminate duplicates Z: 17 43.338 2.435 0.907 0.945 1.000 0.812 CB 1.614 17 residues pruned to eliminate duplicates Z: 28 55.621 2.435 1.008 0.821 0.926 0.667 CA 1.790 28 residues pruned to eliminate duplicates Z: 6 9.193 1.940 0.376 0.832 1.000 0.600 CB 1.156 Z: 48 54.347 2.391 0.925 0.615 0.936 0.553 CB 1.650 48 residues pruned to eliminate duplicates Z: 31 76.835 2.519 1.501 0.958 1.000 0.600 CB 1.527 31 residues pruned to eliminate duplicates Z: 26 78.312 2.562 1.321 0.956 0.920 0.640 CA 1.966 26 residues pruned to eliminate duplicates Z: 28 51.290 2.465 0.898 0.805 0.889 0.481 CB 1.819 28 residues pruned to eliminate duplicates Z: 33 74.280 2.435 1.485 0.875 0.969 0.531 CB 1.629 33 residues pruned to eliminate duplicates Z: 33 71.039 2.437 1.442 0.892 0.938 0.406 CB 1.618 33 residues pruned to eliminate duplicates Z: 20 30.392 2.188 0.847 0.737 0.895 0.632 CB 1.559 20 residues pruned to eliminate duplicates Z: 32 79.424 2.494 1.598 0.951 0.968 0.484 CB 1.568 30 residues pruned to eliminate duplicates Z: 27 73.204 2.537 1.218 0.934 1.000 0.885 CB 1.778 27 residues pruned to eliminate duplicates Z: 24 78.163 2.561 1.539 0.945 0.957 0.391 CB 1.813 24 residues pruned to eliminate duplicates Z: 20 28.772 2.143 0.615 0.868 1.000 0.895 CB 1.394 18 residues pruned to eliminate duplicates Z: 28 63.793 2.421 1.049 0.926 1.000 0.815 CB 1.736 27 residues pruned to eliminate duplicates Z: 22 62.981 2.525 1.214 0.868 1.000 0.667 CB 1.797 22 residues pruned to eliminate duplicates Z: 28 48.901 2.392 0.846 0.797 0.926 0.815 CA 1.775 28 residues pruned to eliminate duplicates Z: 26 57.560 2.522 0.806 0.878 1.000 0.880 CB 1.834 26 residues pruned to eliminate duplicates Z: 28 56.020 2.399 0.874 0.921 0.963 0.815 CB 1.752 28 residues pruned to eliminate duplicates Z: 22 55.559 2.485 0.962 0.874 1.000 0.714 CA 1.810 22 residues pruned to eliminate duplicates Z: 29 78.960 2.641 1.335 0.956 0.964 0.536 CB 1.724 29 residues pruned to eliminate duplicates Z: 27 63.157 2.545 0.896 0.938 1.000 0.808 CB 1.785 27 residues pruned to eliminate duplicates Z: 28 57.935 2.438 1.031 0.811 0.963 0.741 CA 1.783 28 residues pruned to eliminate duplicates Z: 27 60.118 2.489 0.971 0.861 0.962 0.846 CB 1.837 28 residues pruned to eliminate duplicates Z: 21 56.433 2.568 0.995 0.902 0.950 0.600 CA 1.849 21 residues pruned to eliminate duplicates Z: 32 73.041 2.463 1.351 0.923 0.968 0.839 CB 1.645 32 residues pruned to eliminate duplicates Z: 67 95.468 2.601 1.095 0.741 1.000 0.773 CB 1.737 56 residues pruned to eliminate duplicates Z: 28 54.335 2.456 0.849 0.837 0.963 0.741 CB 1.788 28 residues pruned to eliminate duplicates Z: 28 54.136 2.420 1.153 0.804 0.889 0.481 CB 1.724 28 residues pruned to eliminate duplicates Z: 14 32.511 2.280 0.574 0.892 1.000 0.615 CB 1.805 14 residues pruned to eliminate duplicates Z: 27 65.724 2.438 1.249 0.932 0.962 0.808 CB 1.707 27 residues pruned to eliminate duplicates Z: 48 50.369 2.383 0.946 0.556 0.894 0.511 CB 1.679 35 residues pruned to eliminate duplicates Z: 25 71.083 2.586 1.000 0.943 1.000 0.917 CA 1.945 25 residues pruned to eliminate duplicates Z: 11 43.057 2.444 1.386 0.887 1.000 0.700 CB 1.683 11 residues pruned to eliminate duplicates Z: 17 64.581 2.553 1.357 0.914 1.000 0.750 CB 1.897 17 residues pruned to eliminate duplicates Z: 230 170.105 2.525 1.204 0.725 0.965 0.607 CB 1.708 205 residues pruned to eliminate duplicates Z: 22 62.007 2.496 1.153 0.867 1.000 0.810 CA 1.842 22 residues pruned to eliminate duplicates Z: 182 141.746 2.548 1.021 0.667 0.978 0.663 CB 1.793 145 residues pruned to eliminate duplicates Z: 31 83.034 2.541 1.561 0.943 0.967 0.300 CB 1.670 31 residues pruned to eliminate duplicates Z: 30 50.371 2.307 0.970 0.894 0.931 0.655 CB 1.587 30 residues pruned to eliminate duplicates Z: 26 71.985 2.481 1.199 0.941 0.960 0.480 CB 1.907 26 residues pruned to eliminate duplicates Z: 28 58.041 2.365 0.952 0.920 0.963 0.741 CB 1.770 28 residues pruned to eliminate duplicates Z: 31 78.832 2.551 1.478 0.923 0.933 0.567 CB 1.715 31 residues pruned to eliminate duplicates Z: 21 33.290 2.152 0.746 0.836 1.000 0.700 CB 1.483 21 residues pruned to eliminate duplicates Z: 20 34.434 2.180 0.983 0.869 0.947 0.684 CB 1.410 20 residues pruned to eliminate duplicates Z: 23 55.912 2.448 1.078 0.889 1.000 0.818 CB 1.688 23 residues pruned to eliminate duplicates Z: 7 13.020 1.930 0.663 0.779 1.000 0.667 CA 1.295 7 residues pruned to eliminate duplicates Z: 26 58.474 2.480 0.918 0.921 0.960 0.800 CA 1.802 26 residues pruned to eliminate duplicates Z: 31 71.916 2.533 1.337 0.947 0.967 0.467 CB 1.585 31 residues pruned to eliminate duplicates Z: 28 59.262 2.501 0.854 0.840 0.963 0.667 CB 1.905 28 residues pruned to eliminate duplicates Z: 25 60.661 2.534 1.044 0.825 0.958 0.625 CA 1.883 25 residues pruned to eliminate duplicates Z: 28 57.147 2.365 0.997 0.942 0.926 0.630 CB 1.744 28 residues pruned to eliminate duplicates Z: 18 41.597 2.366 1.093 0.839 1.000 0.765 CB 1.521 18 residues pruned to eliminate duplicates Z: 22 64.456 2.510 1.249 0.865 1.000 0.714 CA 1.826 22 residues pruned to eliminate duplicates Z: 27 74.013 2.553 1.434 0.926 0.962 0.577 CB 1.704 27 residues pruned to eliminate duplicates Z: 23 78.649 2.637 1.455 0.952 0.955 0.500 CB 1.868 23 residues pruned to eliminate duplicates Z: 15 34.635 2.294 0.959 0.889 0.929 0.786 CB 1.597 15 residues pruned to eliminate duplicates Z: 18 38.377 2.322 1.129 0.835 0.941 0.529 CB 1.499 20 residues pruned to eliminate duplicates Z: 26 65.323 2.596 1.009 0.862 1.000 0.920 CB 1.840 26 residues pruned to eliminate duplicates Z: 28 54.229 2.369 0.962 0.902 0.889 0.704 CB 1.802 28 residues pruned to eliminate duplicates Z: 25 53.991 2.533 0.823 0.918 0.917 0.875 CA 1.836 25 residues pruned to eliminate duplicates Z: 20 60.831 2.356 1.449 0.908 1.000 0.684 CB 1.718 20 residues pruned to eliminate duplicates Z: 20 35.108 2.169 0.920 0.874 1.000 0.474 CB 1.408 20 residues pruned to eliminate duplicates Z: 13 36.545 2.558 0.716 0.915 0.917 0.833 CA 1.854 13 residues pruned to eliminate duplicates Z: 31 70.538 2.509 1.330 0.956 0.967 0.567 CB 1.565 31 residues pruned to eliminate duplicates Z: 28 58.539 2.418 0.871 0.858 1.000 0.815 CB 1.833 28 residues pruned to eliminate duplicates Z: 28 58.139 2.424 0.973 0.831 0.926 0.556 CA 1.899 28 residues pruned to eliminate duplicates Z: 44 68.249 2.347 1.174 0.876 0.930 0.535 CB 1.594 44 residues pruned to eliminate duplicates Z: 26 66.679 2.508 1.143 0.893 0.960 0.720 CA 1.855 26 residues pruned to eliminate duplicates Z: 21 59.703 2.595 1.069 0.883 1.000 0.700 CA 1.799 21 residues pruned to eliminate duplicates Z: 18 38.004 2.374 0.966 0.882 1.000 0.647 CB 1.429 18 residues pruned to eliminate duplicates Z: 31 68.908 2.520 1.119 0.932 0.967 0.667 CB 1.702 31 residues pruned to eliminate duplicates Z: 11 27.224 2.445 0.675 0.838 0.900 0.800 CA 1.746 11 residues pruned to eliminate duplicates Z: 29 53.050 2.399 0.901 0.833 0.929 0.536 CB 1.775 29 residues pruned to eliminate duplicates Z: 21 57.854 2.556 1.035 0.869 1.000 0.650 CA 1.816 21 residues pruned to eliminate duplicates Z: 27 54.870 2.517 0.955 0.873 0.923 0.731 CB 1.726 27 residues pruned to eliminate duplicates Z: 18 38.812 2.348 1.178 0.885 1.000 0.882 CB 1.329 18 residues pruned to eliminate duplicates Z: 7 12.751 1.960 0.587 0.794 1.000 1.000 CA 1.294 7 residues pruned to eliminate duplicates Z: 20 42.230 2.309 1.024 0.798 1.000 0.526 CB 1.597 20 residues pruned to eliminate duplicates Z: 28 60.408 2.492 0.959 0.828 0.963 0.593 CB 1.863 28 residues pruned to eliminate duplicates Z: 21 52.429 2.555 0.902 0.851 1.000 0.800 CA 1.785 21 residues pruned to eliminate duplicates Z: 29 62.939 2.432 1.146 0.820 0.964 0.750 CA 1.791 29 residues pruned to eliminate duplicates Z: 228 161.215 2.492 1.201 0.711 0.943 0.608 CB 1.709 228 residues pruned to eliminate duplicates Z: 13 33.963 2.377 1.148 0.926 1.000 0.667 CB 1.347 13 residues pruned to eliminate duplicates Z: 26 50.679 2.467 0.991 0.855 0.880 0.680 CB 1.732 26 residues pruned to eliminate duplicates Z: 29 49.810 2.284 1.139 0.902 0.857 0.500 CB 1.603 29 residues pruned to eliminate duplicates Z: 29 58.464 2.315 1.077 0.929 0.964 0.607 CB 1.668 29 residues pruned to eliminate duplicates Z: 24 44.689 2.386 0.549 0.942 1.000 0.870 CB 1.749 10 residues pruned to eliminate duplicates Z: 28 74.023 2.403 1.317 0.937 1.000 0.630 CB 1.781 28 residues pruned to eliminate duplicates Z: 32 79.587 2.477 1.457 0.928 1.000 0.581 CB 1.644 32 residues pruned to eliminate duplicates Z: 13 35.078 2.374 0.912 0.893 1.000 0.750 CA 1.602 13 residues pruned to eliminate duplicates Z: 6 5.997 2.146 0.349 0.638 0.600 0.600 CA 1.356 6 residues pruned to eliminate duplicates Z: 21 47.750 2.473 1.066 0.840 0.900 0.700 CB 1.732 21 residues pruned to eliminate duplicates Z: 10 42.458 2.646 0.946 0.884 1.000 0.889 CA 1.985 10 residues pruned to eliminate duplicates Z: 12 28.661 2.335 0.759 0.834 1.000 0.727 CA 1.577 12 residues pruned to eliminate duplicates Z: 13 37.398 2.676 0.811 0.938 1.000 0.833 CB 1.549 13 residues pruned to eliminate duplicates Z: 25 60.603 2.523 0.825 0.938 1.000 0.958 CA 1.868 25 residues pruned to eliminate duplicates Z: 184 148.173 2.501 1.160 0.707 0.967 0.596 CB 1.737 184 residues pruned to eliminate duplicates Z: 9 32.368 2.595 0.819 0.773 1.000 0.875 CB 1.904 9 residues pruned to eliminate duplicates Z: 12 23.617 2.197 0.562 0.902 1.000 0.818 CB 1.480 12 residues pruned to eliminate duplicates Z: 27 74.645 2.543 1.359 0.924 1.000 0.654 CB 1.714 27 residues pruned to eliminate duplicates Z: 19 36.183 2.172 0.954 0.852 1.000 0.556 CB 1.486 19 residues pruned to eliminate duplicates Z: 26 82.444 2.564 1.333 0.954 0.960 0.680 CA 1.975 26 residues pruned to eliminate duplicates Z: 28 60.147 2.408 1.202 0.918 0.889 0.630 CB 1.732 28 residues pruned to eliminate duplicates Z: 25 50.228 2.509 0.934 0.817 0.875 0.583 CB 1.834 25 residues pruned to eliminate duplicates Z: 25 92.128 2.630 1.536 0.959 0.958 0.833 CB 2.017 25 residues pruned to eliminate duplicates Z: 28 52.715 2.369 0.780 0.922 0.963 0.815 CB 1.758 28 residues pruned to eliminate duplicates Z: 13 27.361 2.071 0.873 0.853 0.917 0.833 CA 1.642 13 residues pruned to eliminate duplicates Z: 25 89.350 2.538 1.577 0.956 1.000 0.667 CB 1.915 25 residues pruned to eliminate duplicates Z: 9 19.536 2.263 0.462 0.823 0.875 0.875 CA 1.803 9 residues pruned to eliminate duplicates Z: 11 33.730 2.338 1.153 0.889 1.000 0.600 CB 1.526 11 residues pruned to eliminate duplicates Z: 22 55.250 2.499 1.171 0.881 0.952 0.810 CB 1.690 22 residues pruned to eliminate duplicates Z: 14 42.191 2.493 1.058 0.903 0.923 0.846 CA 1.760 14 residues pruned to eliminate duplicates Z: 57 77.122 2.596 0.930 0.670 0.964 0.696 CB 1.823 57 residues pruned to eliminate duplicates Z: 25 84.716 2.542 1.477 0.960 1.000 0.458 CB 1.882 25 residues pruned to eliminate duplicates Z: 7 8.646 2.045 0.282 0.678 0.833 0.667 CB 1.372 7 residues pruned to eliminate duplicates Z: 26 85.854 2.546 1.458 0.955 0.960 0.760 CA 1.964 26 residues pruned to eliminate duplicates Z: 18 38.450 2.399 0.865 0.873 1.000 0.882 CB 1.518 18 residues pruned to eliminate duplicates Z: 27 53.950 2.496 0.937 0.875 0.885 0.538 CB 1.800 27 residues pruned to eliminate duplicates Z: 28 62.900 2.424 1.442 0.858 0.926 0.407 CB 1.626 28 residues pruned to eliminate duplicates Z: 22 48.697 2.402 0.798 0.877 1.000 0.810 CB 1.788 22 residues pruned to eliminate duplicates Z: 20 37.458 2.278 0.985 0.822 0.947 0.526 CB 1.518 20 residues pruned to eliminate duplicates Z: 182 152.370 2.551 1.225 0.695 0.956 0.608 CB 1.746 182 residues pruned to eliminate duplicates Z: 22 54.982 2.496 1.081 0.858 0.952 0.857 CB 1.786 22 residues pruned to eliminate duplicates Z: 24 76.203 2.558 1.364 0.944 0.957 0.522 CB 1.902 24 residues pruned to eliminate duplicates Z: 27 68.562 2.508 1.325 0.919 0.962 0.577 CB 1.690 27 residues pruned to eliminate duplicates Z: 184 133.156 2.495 1.010 0.707 0.956 0.623 CB 1.701 184 residues pruned to eliminate duplicates Z: 25 72.069 2.521 1.250 0.928 0.958 0.667 CB 1.895 25 residues pruned to eliminate duplicates Z: 29 56.061 2.415 1.187 0.896 0.893 0.679 CB 1.609 29 residues pruned to eliminate duplicates Z: 18 37.877 2.360 0.913 0.887 1.000 0.824 CB 1.467 18 residues pruned to eliminate duplicates Z: 32 49.177 2.430 0.515 0.899 1.000 0.871 CB 1.715 32 residues pruned to eliminate duplicates Z: 24 60.563 2.535 0.951 0.909 1.000 0.826 CB 1.811 24 residues pruned to eliminate duplicates Z: 27 45.616 2.437 0.788 0.775 0.923 0.615 CB 1.744 27 residues pruned to eliminate duplicates Z: 66 88.451 2.596 1.006 0.726 0.969 0.738 CB 1.773 66 residues pruned to eliminate duplicates Z: 20 31.272 2.167 0.744 0.868 1.000 0.842 CB 1.387 20 residues pruned to eliminate duplicates Z: 16 46.824 2.402 0.916 0.935 1.000 0.733 CA 1.831 16 residues pruned to eliminate duplicates Z: 27 47.044 2.384 0.847 0.926 0.846 0.846 CB 1.737 27 residues pruned to eliminate duplicates Z: 28 51.690 2.423 0.757 0.850 0.926 0.667 CA 1.870 28 residues pruned to eliminate duplicates Z: 24 87.591 2.564 1.536 0.960 1.000 0.739 CB 1.924 24 residues pruned to eliminate duplicates Z: 112 117.127 2.491 1.250 0.730 0.946 0.586 CB 1.705 112 residues pruned to eliminate duplicates Z: 25 63.522 2.565 0.976 0.925 0.917 0.750 CB 1.957 25 residues pruned to eliminate duplicates Z: 22 58.727 2.348 1.609 0.903 0.952 0.381 CB 1.565 22 residues pruned to eliminate duplicates Z: 47 52.043 2.406 0.815 0.611 0.891 0.391 CB 1.775 47 residues pruned to eliminate duplicates Z: 12 26.867 2.077 0.995 0.886 0.909 0.727 CA 1.553 12 residues pruned to eliminate duplicates Z: 28 58.440 2.441 1.151 0.835 0.889 0.704 CA 1.805 28 residues pruned to eliminate duplicates Z: 27 33.151 2.191 0.783 0.798 0.846 0.654 CB 1.515 27 residues pruned to eliminate duplicates Z: 11 31.381 2.439 0.815 0.836 1.000 0.800 CA 1.677 11 residues pruned to eliminate duplicates Z: 15 27.396 2.389 0.922 0.768 0.786 0.571 CB 1.600 15 residues pruned to eliminate duplicates Z: 24 61.427 2.533 1.111 0.887 0.913 0.652 CB 1.891 24 residues pruned to eliminate duplicates Z: 22 62.982 2.499 1.303 0.859 1.000 0.714 CB 1.757 22 residues pruned to eliminate duplicates Z: 27 68.162 2.445 1.024 0.945 1.000 0.769 CB 1.870 27 residues pruned to eliminate duplicates Z: 23 45.940 2.295 1.004 0.904 0.955 0.864 CA 1.589 23 residues pruned to eliminate duplicates Z: 23 51.830 2.407 1.132 0.883 0.955 0.818 CA 1.632 23 residues pruned to eliminate duplicates Z: 21 47.516 2.532 1.040 0.920 0.900 0.600 CB 1.609 21 residues pruned to eliminate duplicates Z: 227 158.387 2.492 1.157 0.706 0.956 0.606 CB 1.700 227 residues pruned to eliminate duplicates Z: 25 76.219 2.515 1.642 0.917 0.917 0.208 CB 1.802 25 residues pruned to eliminate duplicates Z: 28 53.290 2.411 1.060 0.834 0.889 0.667 CB 1.743 28 residues pruned to eliminate duplicates Z: 7 8.085 1.626 0.435 0.837 1.000 0.667 CA 1.057 7 residues pruned to eliminate duplicates Z: 10 34.092 2.401 1.069 0.920 1.000 0.778 CB 1.611 10 residues pruned to eliminate duplicates Z: 17 54.077 2.496 1.621 0.872 0.812 0.375 CB 1.853 17 residues pruned to eliminate duplicates Z: 28 57.066 2.487 0.862 0.907 1.000 0.852 CB 1.685 28 residues pruned to eliminate duplicates Z: 17 55.812 2.591 1.190 0.918 0.938 0.562 CB 1.849 17 residues pruned to eliminate duplicates Z: 182 160.953 2.568 1.222 0.702 0.978 0.635 CB 1.784 182 residues pruned to eliminate duplicates Z: 21 60.534 2.562 1.045 0.956 1.000 0.950 CB 1.774 21 residues pruned to eliminate duplicates Z: 19 40.610 2.222 1.228 0.870 1.000 0.556 CB 1.411 19 residues pruned to eliminate duplicates Z: 14 40.418 2.600 0.844 0.800 1.000 0.538 CB 1.799 14 residues pruned to eliminate duplicates Z: 28 49.196 2.391 0.996 0.814 0.815 0.519 CB 1.852 28 residues pruned to eliminate duplicates Z: 181 136.087 2.502 1.029 0.692 0.967 0.700 CB 1.735 119 residues pruned to eliminate duplicates Z: 28 62.319 2.398 1.055 0.940 1.000 0.519 CB 1.690 28 residues pruned to eliminate duplicates Z: 27 60.438 2.427 0.987 0.905 1.000 0.846 CB 1.749 27 residues pruned to eliminate duplicates Z: 23 57.139 2.461 1.104 0.881 1.000 0.727 CB 1.704 23 residues pruned to eliminate duplicates 8 0.769 1.581 0.343 0.249 0.714 0.286 CB 0.256 ? Z: 172 146.231 2.546 1.130 0.745 0.959 0.626 CB 1.726 172 residues pruned to eliminate duplicates Z: 185 141.191 2.527 1.146 0.710 0.918 0.549 CB 1.727 96 residues pruned to eliminate duplicates Z: 205 165.837 2.559 1.230 0.714 0.956 0.593 CB 1.753 219 residues pruned to eliminate duplicates Z: 24 64.019 2.561 1.236 0.939 1.000 0.652 CB 1.620 24 residues pruned to eliminate duplicates Z: 22 57.960 2.522 1.058 0.879 1.000 0.714 CB 1.766 22 residues pruned to eliminate duplicates Z: 26 71.389 2.523 1.352 0.946 1.000 0.400 CB 1.665 26 residues pruned to eliminate duplicates Z: 32 70.279 2.473 1.276 0.958 0.968 0.774 CB 1.590 32 residues pruned to eliminate duplicates Z: 180 141.387 2.537 1.104 0.688 0.961 0.615 CB 1.734 127 residues pruned to eliminate duplicates Z: 131 120.984 2.552 1.024 0.722 0.969 0.715 CB 1.735 131 residues pruned to eliminate duplicates Z: 27 58.338 2.381 1.365 0.929 0.885 0.577 CB 1.607 27 residues pruned to eliminate duplicates Z: 28 54.534 2.447 0.926 0.893 0.963 0.815 CB 1.660 28 residues pruned to eliminate duplicates Z: 227 164.670 2.505 1.206 0.697 0.965 0.588 CB 1.717 123 residues pruned to eliminate duplicates Z: 17 33.234 2.408 0.908 0.569 0.938 0.688 CB 1.805 17 residues pruned to eliminate duplicates Z: 28 64.737 2.454 1.194 0.939 1.000 0.667 CB 1.609 28 residues pruned to eliminate duplicates Z: 48 75.261 2.466 1.160 0.764 0.979 0.660 CB 1.666 48 residues pruned to eliminate duplicates Z: 180 131.898 2.485 1.157 0.670 0.922 0.525 CB 1.704 180 residues pruned to eliminate duplicates Z: 6 5.627 2.017 0.384 0.501 0.600 0.400 CA 1.502 6 residues pruned to eliminate duplicates Z: 19 31.206 2.245 0.630 0.880 1.000 0.889 CB 1.457 19 residues pruned to eliminate duplicates Z: 23 50.272 2.574 0.782 0.909 0.955 0.955 CB 1.738 23 residues pruned to eliminate duplicates Z: 28 62.031 2.430 1.115 0.850 0.926 0.704 CA 1.858 28 residues pruned to eliminate duplicates Z: 10 19.857 2.363 0.536 0.890 0.889 0.667 CB 1.476 10 residues pruned to eliminate duplicates Z: 28 55.920 2.396 1.046 0.916 0.926 0.593 CB 1.674 28 residues pruned to eliminate duplicates Z: 20 31.708 2.129 0.865 0.877 1.000 0.684 CB 1.330 20 residues pruned to eliminate duplicates Z: 8 11.988 1.920 0.506 0.697 1.000 0.571 CB 1.309 Z: 12 28.979 2.359 0.940 0.847 0.909 0.818 CA 1.559 Z: 25 75.549 2.531 1.450 0.912 0.958 0.750 CB 1.838 25 residues pruned to eliminate duplicates Z: 47 81.683 2.526 1.049 0.834 0.978 0.826 CB 1.783 47 residues pruned to eliminate duplicates Z: 27 69.684 2.514 1.433 0.930 0.923 0.615 CB 1.693 27 residues pruned to eliminate duplicates Z: 6 7.335 1.837 0.279 0.710 0.800 0.600 CA 1.442 5 residues pruned to eliminate duplicates Z: 110 98.641 2.442 1.020 0.679 0.945 0.743 CB 1.718 110 residues pruned to eliminate duplicates Z: 20 55.957 2.599 0.997 0.875 1.000 0.684 CB 1.799 20 residues pruned to eliminate duplicates Z: 24 39.903 2.369 1.114 0.577 0.957 0.609 CB 1.612 24 residues pruned to eliminate duplicates Z: 31 72.842 2.487 1.211 0.942 1.000 0.600 CB 1.677 31 residues pruned to eliminate duplicates Z: 181 145.591 2.508 1.149 0.694 0.983 0.594 CB 1.715 181 residues pruned to eliminate duplicates Z: 184 146.079 2.508 1.184 0.702 0.956 0.628 CB 1.715 196 residues pruned to eliminate duplicates Z: 160 120.449 2.531 0.861 0.683 0.956 0.698 CB 1.794 167 residues pruned to eliminate duplicates Z: 6 10.342 2.129 0.429 0.616 0.800 0.800 CB 1.703 6 residues pruned to eliminate duplicates Z: 41 49.635 2.434 0.879 0.583 0.875 0.450 CB 1.812 41 residues pruned to eliminate duplicates Z: 26 53.067 2.548 0.907 0.879 0.920 0.760 CB 1.721 26 residues pruned to eliminate duplicates Z: 87 86.180 2.457 1.041 0.708 0.895 0.651 CB 1.713 48 residues pruned to eliminate duplicates Z: 12 37.459 2.512 0.967 0.935 1.000 0.727 CB 1.593 12 residues pruned to eliminate duplicates Z: 18 30.700 2.372 1.001 0.812 0.824 0.471 CB 1.452 18 residues pruned to eliminate duplicates Z: 27 65.922 2.424 1.203 0.925 0.923 0.615 CB 1.840 27 residues pruned to eliminate duplicates Z: 19 25.403 2.287 0.853 0.545 0.889 0.500 CB 1.522 19 residues pruned to eliminate duplicates Z: 22 53.555 2.495 0.942 0.864 1.000 0.810 CA 1.768 22 residues pruned to eliminate duplicates Z: 9 18.774 2.185 0.699 0.856 1.000 0.625 CA 1.318 9 residues pruned to eliminate duplicates Z: 29 50.666 2.396 1.046 0.782 0.893 0.643 CB 1.706 29 residues pruned to eliminate duplicates Z: 27 54.750 2.294 1.170 0.843 0.885 0.808 CA 1.816 27 residues pruned to eliminate duplicates Z: 6 7.552 2.147 0.633 0.479 0.600 0.200 CB 1.640 6 residues pruned to eliminate duplicates Z: 8 4.037 1.503 0.526 0.371 0.857 0.429 CB 0.890 8 residues pruned to eliminate duplicates Z: 11 32.207 2.404 0.929 0.845 1.000 0.800 CA 1.633 11 residues pruned to eliminate duplicates Z: 31 67.268 2.553 1.074 0.907 0.967 0.767 CB 1.706 31 residues pruned to eliminate duplicates Z: 49 61.070 2.440 1.018 0.616 0.938 0.583 CB 1.711 49 residues pruned to eliminate duplicates Z: 26 66.903 2.476 1.449 0.949 1.000 0.760 CB 1.522 26 residues pruned to eliminate duplicates Z: 26 51.169 2.443 0.935 0.876 0.880 0.720 CB 1.788 26 residues pruned to eliminate duplicates Z: 26 64.087 2.397 1.384 0.912 0.920 0.280 CB 1.727 26 residues pruned to eliminate duplicates Z: 18 67.300 2.473 1.546 0.953 1.000 0.706 CA 1.784 18 residues pruned to eliminate duplicates Z: 28 62.167 2.377 1.218 0.912 0.963 0.481 CB 1.669 28 residues pruned to eliminate duplicates Z: 152 147.963 2.557 1.242 0.727 0.960 0.596 CB 1.783 152 residues pruned to eliminate duplicates Z: 25 55.230 2.499 1.076 0.917 0.833 0.583 CB 1.840 25 residues pruned to eliminate duplicates Z: 9 13.416 1.773 0.585 0.844 1.000 0.750 CB 1.256 Z: 10 21.861 2.201 0.786 0.878 0.889 0.667 CB 1.513 10 residues pruned to eliminate duplicates Z: 20 26.420 2.215 0.842 0.527 0.842 0.579 CB 1.718 20 residues pruned to eliminate duplicates Z: 32 58.193 2.450 0.891 0.889 0.935 0.774 CB 1.737 32 residues pruned to eliminate duplicates Z: 10 18.640 2.142 0.516 0.876 0.889 0.778 CB 1.564 Z: 6 10.634 1.973 0.525 0.691 1.000 0.600 CB 1.327 6 residues pruned to eliminate duplicates Z: 176 123.673 2.450 1.071 0.655 0.949 0.594 CB 1.682 195 residues pruned to eliminate duplicates Z: 81 62.696 2.361 0.846 0.564 0.925 0.588 CB 1.634 81 residues pruned to eliminate duplicates Z: 11 25.538 2.329 0.954 0.894 1.000 0.800 CB 1.272 11 residues pruned to eliminate duplicates Z: 180 144.793 2.512 1.192 0.700 0.961 0.575 CB 1.705 180 residues pruned to eliminate duplicates Z: 27 28.599 2.192 0.984 0.602 0.923 0.577 CB 1.268 27 residues pruned to eliminate duplicates Z: 11 23.574 2.427 0.617 0.801 0.900 0.600 CB 1.623 12 residues pruned to eliminate duplicates Z: 182 151.290 2.564 1.201 0.694 0.945 0.591 CB 1.766 50 residues pruned to eliminate duplicates Z: 9 3.908 1.656 0.276 0.351 0.750 0.500 CB 1.025 Z: 20 34.396 2.145 0.970 0.858 1.000 0.632 CB 1.375 18 residues pruned to eliminate duplicates Z: 19 36.214 2.277 0.772 0.882 1.000 0.778 CB 1.531 19 residues pruned to eliminate duplicates Z: 31 55.552 2.427 0.721 0.922 1.000 0.867 CB 1.708 31 residues pruned to eliminate duplicates Z: 124 85.875 2.428 0.938 0.559 0.894 0.504 CB 1.737 124 residues pruned to eliminate duplicates Z: 28 50.406 2.434 0.814 0.827 1.000 0.630 CB 1.656 28 residues pruned to eliminate duplicates Z: 6 3.406 1.287 0.395 0.590 0.800 0.600 N 0.974 Z: 13 25.636 2.341 0.953 0.669 0.917 0.667 CB 1.511 13 residues pruned to eliminate duplicates Z: 77 78.367 2.435 0.918 0.715 0.921 0.605 CB 1.720 77 residues pruned to eliminate duplicates Z: 20 38.809 2.526 0.740 0.914 0.895 0.842 CB 1.601 20 residues pruned to eliminate duplicates Z: 26 58.654 2.466 0.958 0.902 0.960 0.960 CA 1.805 26 residues pruned to eliminate duplicates Z: 26 62.535 2.460 0.898 0.930 1.000 0.840 CB 1.873 26 residues pruned to eliminate duplicates Z: 22 53.039 2.455 0.911 0.872 1.000 0.857 CB 1.798 22 residues pruned to eliminate duplicates Z: 27 78.059 2.460 1.355 0.933 0.962 0.654 CB 1.918 27 residues pruned to eliminate duplicates Z: 8 7.158 1.760 0.429 0.712 0.857 0.857 CB 1.035 Z: 19 70.124 2.567 1.674 0.962 1.000 0.500 CB 1.647 19 residues pruned to eliminate duplicates Z: 17 50.890 2.382 1.472 0.903 0.875 0.375 CB 1.760 17 residues pruned to eliminate duplicates Z: 53 80.775 2.523 1.090 0.777 0.962 0.769 CB 1.730 53 residues pruned to eliminate duplicates Z: 16 27.929 2.236 1.144 0.830 0.800 0.400 CB 1.414 16 residues pruned to eliminate duplicates 6 1.680 1.259 0.598 0.271 0.600 0.600 CA 0.807 ? Z: 182 143.972 2.534 1.140 0.680 0.945 0.519 CB 1.771 182 residues pruned to eliminate duplicates Z: 12 28.698 2.388 0.794 0.789 1.000 0.636 CB 1.567 12 residues pruned to eliminate duplicates Z: 6 7.315 1.947 0.371 0.584 0.800 0.600 CB 1.413 6 residues pruned to eliminate duplicates Z: 32 69.239 2.450 1.347 0.920 0.968 0.613 CB 1.574 32 residues pruned to eliminate duplicates Z: 185 151.086 2.528 1.186 0.694 0.957 0.571 CB 1.765 185 residues pruned to eliminate duplicates Z: 25 75.607 2.542 1.495 0.948 0.917 0.417 CB 1.834 25 residues pruned to eliminate duplicates Z: 182 150.379 2.553 1.137 0.695 0.961 0.547 CB 1.784 182 residues pruned to eliminate duplicates Z: 49 73.837 2.404 1.082 0.777 0.979 0.729 CB 1.703 59 residues pruned to eliminate duplicates Z: 30 66.931 2.505 1.239 0.959 0.966 0.724 CB 1.573 30 residues pruned to eliminate duplicates Z: 7 4.756 1.738 0.072 0.680 1.000 0.500 CA 0.883 Z: 7 5.183 1.436 0.018 0.807 1.000 0.667 CA 1.107 7 residues pruned to eliminate duplicates Z: 23 57.470 2.608 1.126 0.797 0.955 0.500 CB 1.785 23 residues pruned to eliminate duplicates Z: 230 172.406 2.531 1.188 0.717 0.965 0.590 CB 1.752 281 residues pruned to eliminate duplicates Z: 22 17.764 2.009 0.604 0.379 0.905 0.381 CB 1.513 22 residues pruned to eliminate duplicates Z: 156 117.251 2.445 1.177 0.665 0.935 0.600 CB 1.623 156 residues pruned to eliminate duplicates Z: 27 40.181 2.459 0.858 0.836 0.808 0.538 CB 1.599 27 residues pruned to eliminate duplicates Z: 21 51.214 2.616 0.864 0.949 1.000 1.000 CB 1.621 21 residues pruned to eliminate duplicates Z: 20 29.406 2.193 0.823 0.800 0.895 0.632 CB 1.451 Z: 18 62.649 2.402 1.519 0.918 0.941 0.412 CB 1.883 18 residues pruned to eliminate duplicates Z: 20 35.030 2.281 0.878 0.777 0.947 0.737 CB 1.551 20 residues pruned to eliminate duplicates Z: 20 26.051 2.211 0.654 0.720 0.842 0.474 CB 1.591 20 residues pruned to eliminate duplicates Z: 27 51.479 2.536 1.184 0.675 0.923 0.615 CB 1.681 27 residues pruned to eliminate duplicates Z: 18 31.805 2.208 1.038 0.869 0.882 0.235 CB 1.419 19 residues pruned to eliminate duplicates Z: 58 51.682 2.440 0.887 0.571 0.860 0.614 CB 1.616 58 residues pruned to eliminate duplicates 6 1.482 1.645 0.448 0.436 0.800 0.600 CB 0.372 ? Z: 25 61.670 2.604 1.077 0.912 1.000 0.917 CB 1.648 25 residues pruned to eliminate duplicates Z: 39 67.256 2.528 1.212 0.624 0.974 0.605 CB 1.783 39 residues pruned to eliminate duplicates Z: 133 130.540 2.562 1.064 0.769 0.955 0.758 CB 1.775 133 residues pruned to eliminate duplicates Z: 46 49.972 2.357 0.879 0.593 0.911 0.622 CB 1.690 46 residues pruned to eliminate duplicates Z: 28 40.614 2.329 0.797 0.818 0.852 0.630 CB 1.664 28 residues pruned to eliminate duplicates Z: 64 73.374 2.494 1.038 0.724 0.873 0.540 CB 1.702 64 residues pruned to eliminate duplicates Z: 230 166.468 2.513 1.173 0.719 0.961 0.638 CB 1.720 230 residues pruned to eliminate duplicates Z: 46 80.769 2.480 1.072 0.812 0.978 0.689 CB 1.826 46 residues pruned to eliminate duplicates Z: 14 16.020 2.164 0.521 0.453 0.846 0.462 CB 1.675 14 residues pruned to eliminate duplicates Z: 8 4.284 1.788 0.760 0.342 0.714 0.714 CB 0.856 8 residues pruned to eliminate duplicates Z: 163 132.064 2.540 1.077 0.684 0.944 0.599 CB 1.758 163 residues pruned to eliminate duplicates Z: 19 32.346 2.158 1.056 0.853 0.944 0.611 CB 1.345 18 residues pruned to eliminate duplicates Z: 19 32.296 2.380 0.664 0.822 0.944 0.722 CB 1.539 19 residues pruned to eliminate duplicates Z: 26 29.914 2.326 0.776 0.587 0.880 0.680 CB 1.513 26 residues pruned to eliminate duplicates Z: 52 48.651 2.303 0.864 0.539 0.902 0.529 CB 1.694 52 residues pruned to eliminate duplicates Z: 6 2.159 1.260 0.401 0.436 1.000 0.600 CB 0.584 Z: 48 73.550 2.454 1.199 0.704 0.979 0.617 CB 1.688 48 residues pruned to eliminate duplicates Z: 17 37.331 2.421 0.833 0.858 1.000 0.625 CB 1.548 17 residues pruned to eliminate duplicates Z: 121 104.402 2.485 0.929 0.707 0.967 0.733 CB 1.703 121 residues pruned to eliminate duplicates Z: 11 12.507 2.003 0.514 0.701 0.900 0.800 CB 1.206 11 residues pruned to eliminate duplicates Z: 7 6.773 1.683 0.134 0.890 1.000 1.000 CA 1.042 7 residues pruned to eliminate duplicates Z: 104 94.035 2.495 0.883 0.697 0.961 0.748 CB 1.714 104 residues pruned to eliminate duplicates Z: 7 4.712 1.336 0.479 0.543 1.000 0.667 N 0.933 Z: 24 45.676 2.523 0.717 0.726 1.000 0.913 CB 1.793 24 residues pruned to eliminate duplicates Z: 15 28.071 2.396 0.963 0.763 0.857 0.357 CA 1.473 15 residues pruned to eliminate duplicates Z: 17 61.925 2.496 1.498 0.913 1.000 0.562 CB 1.757 17 residues pruned to eliminate duplicates Z: 27 74.351 2.461 1.235 0.933 1.000 0.808 CA 1.850 Z: 6 3.895 1.786 -0.139 0.660 1.000 0.800 CB 0.976 Z: 182 145.705 2.507 1.150 0.716 0.967 0.619 CB 1.709 156 residues pruned to eliminate duplicates Z: 10 36.465 2.452 0.836 0.913 1.000 0.667 CB 1.911 10 residues pruned to eliminate duplicates Z: 10 7.703 1.959 0.517 0.264 0.778 0.444 CB 1.454 10 residues pruned to eliminate duplicates Z: 49 65.796 2.454 1.040 0.706 0.958 0.625 CB 1.642 49 residues pruned to eliminate duplicates Z: 63 86.246 2.508 0.859 0.836 0.984 0.887 CB 1.787 63 residues pruned to eliminate duplicates Z: 11 14.767 2.234 0.810 0.739 0.700 0.600 CB 1.332 11 residues pruned to eliminate duplicates Z: 115 129.695 2.577 1.291 0.719 0.974 0.570 CB 1.733 115 residues pruned to eliminate duplicates Z: 27 80.623 2.499 1.397 0.917 0.962 0.731 CA 1.937 27 residues pruned to eliminate duplicates Z: 267 171.567 2.510 1.129 0.703 0.947 0.665 CB 1.727 266 residues pruned to eliminate duplicates Z: 7 11.391 1.938 0.779 0.773 0.833 0.500 CA 1.271 7 residues pruned to eliminate duplicates Z: 167 147.431 2.561 1.066 0.740 0.982 0.717 CB 1.777 167 residues pruned to eliminate duplicates Z: 183 155.063 2.560 1.202 0.682 0.978 0.593 CB 1.764 183 residues pruned to eliminate duplicates Z: 28 74.941 2.469 1.315 0.942 1.000 0.778 CB 1.750 28 residues pruned to eliminate duplicates Z: 10 24.812 2.334 0.674 0.894 0.889 0.889 CA 1.708 Z: 19 36.134 2.209 1.055 0.833 0.944 0.667 CB 1.490 19 residues pruned to eliminate duplicates Z: 7 5.832 1.457 0.431 0.778 0.833 0.500 CA 1.072 7 residues pruned to eliminate duplicates Z: 19 43.974 2.391 1.172 0.833 0.944 0.667 CB 1.585 19 residues pruned to eliminate duplicates Z: 10 21.654 2.329 0.813 0.821 1.000 0.556 CB 1.294 20 residues pruned to eliminate duplicates 6 1.946 2.160 -0.380 0.462 0.400 0.400 CB 1.688 ? Z: 12 37.742 2.342 1.297 0.722 1.000 0.727 CA 1.732 12 residues pruned to eliminate duplicates Z: 86 95.654 2.491 1.195 0.680 0.976 0.553 CB 1.647 86 residues pruned to eliminate duplicates Z: 31 68.903 2.538 1.155 0.927 0.933 0.667 CB 1.727 31 residues pruned to eliminate duplicates 7 1.177 1.550 -0.036 0.249 0.667 0.500 CB 0.644 ? Z: 137 128.145 2.523 1.294 0.673 0.956 0.559 CB 1.694 137 residues pruned to eliminate duplicates Z: 90 84.219 2.466 0.934 0.700 0.899 0.573 CB 1.735 117 residues pruned to eliminate duplicates 6 1.629 1.656 -0.451 0.441 0.800 0.400 CB 1.063 ? Z: 7 8.311 1.882 0.556 0.405 1.000 0.500 CA 1.280 Z: 42 72.933 2.416 0.984 0.793 1.000 0.732 CB 1.838 42 residues pruned to eliminate duplicates Z: 7 2.701 1.465 0.541 0.206 0.833 0.167 C 0.830 Z: 36 60.794 2.559 0.883 0.727 0.971 0.800 CB 1.789 36 residues pruned to eliminate duplicates Z: 20 31.798 2.132 0.729 0.883 1.000 0.842 CB 1.431 20 residues pruned to eliminate duplicates Z: 67 66.182 2.389 1.063 0.631 0.909 0.621 CB 1.607 74 residues pruned to eliminate duplicates Z: 6 8.816 1.864 0.440 0.765 1.000 0.800 CB 1.161 6 residues pruned to eliminate duplicates Z: 61 69.663 2.347 1.075 0.698 0.917 0.700 CB 1.681 61 residues pruned to eliminate duplicates Z: 78 103.382 2.555 1.367 0.724 0.961 0.571 CB 1.657 78 residues pruned to eliminate duplicates Z: 6 8.653 1.937 1.086 0.752 0.800 0.600 CA 0.956 Z: 181 148.020 2.519 1.182 0.691 0.972 0.606 CB 1.733 181 residues pruned to eliminate duplicates Z: 117 107.283 2.485 1.086 0.724 0.922 0.578 CB 1.702 117 residues pruned to eliminate duplicates Z: 9 11.352 1.755 0.586 0.852 0.875 0.375 CB 1.219 Using tripeptides from previous cycle as seeds Z: 24 54.143 2.502 0.962 0.793 0.957 0.870 CA 1.860 24 residues pruned to eliminate duplicates Z: 180 138.113 2.522 0.992 0.703 0.966 0.715 CB 1.766 189 residues pruned to eliminate duplicates Z: 171 132.534 2.538 1.000 0.718 0.941 0.665 CB 1.747 171 residues pruned to eliminate duplicates Z: 182 138.488 2.500 1.049 0.693 0.967 0.707 CB 1.742 182 residues pruned to eliminate duplicates Z: 77 74.885 2.480 0.929 0.643 0.947 0.671 CB 1.658 77 residues pruned to eliminate duplicates Z: 183 142.933 2.502 1.062 0.688 0.978 0.731 CB 1.767 183 residues pruned to eliminate duplicates Z: 184 138.806 2.518 1.072 0.702 0.951 0.699 CB 1.720 184 residues pruned to eliminate duplicates Z: 78 87.806 2.534 1.023 0.675 0.974 0.701 CB 1.706 78 residues pruned to eliminate duplicates Z: 184 131.334 2.513 0.977 0.687 0.956 0.656 CB 1.721 184 residues pruned to eliminate duplicates Z: 172 137.921 2.530 1.007 0.730 0.965 0.684 CB 1.750 172 residues pruned to eliminate duplicates Z: 145 126.552 2.504 1.088 0.697 0.965 0.674 CB 1.746 145 residues pruned to eliminate duplicates Z: 109 107.274 2.508 0.983 0.744 0.954 0.731 CB 1.750 109 residues pruned to eliminate duplicates Z: 179 136.874 2.510 1.016 0.689 0.961 0.685 CB 1.775 179 residues pruned to eliminate duplicates Z: 141 129.764 2.525 1.116 0.701 0.979 0.700 CB 1.747 141 residues pruned to eliminate duplicates Z: 182 136.711 2.499 0.991 0.693 0.972 0.696 CB 1.760 182 residues pruned to eliminate duplicates Z: 143 123.951 2.513 1.056 0.692 0.972 0.669 CB 1.738 143 residues pruned to eliminate duplicates Z: 181 135.951 2.507 1.036 0.682 0.956 0.650 CB 1.759 181 residues pruned to eliminate duplicates Z: 143 119.645 2.515 1.026 0.680 0.965 0.718 CB 1.730 143 residues pruned to eliminate duplicates Z: 179 131.672 2.517 0.963 0.691 0.949 0.691 CB 1.767 179 residues pruned to eliminate duplicates Z: 143 126.624 2.511 1.122 0.703 0.965 0.704 CB 1.718 143 residues pruned to eliminate duplicates Z: 70 87.284 2.576 1.005 0.734 0.971 0.754 CB 1.697 70 residues pruned to eliminate duplicates Z: 102 103.734 2.519 1.037 0.700 0.970 0.733 CB 1.728 102 residues pruned to eliminate duplicates Z: 184 132.387 2.505 0.983 0.710 0.945 0.607 CB 1.722 184 residues pruned to eliminate duplicates Z: 84 83.802 2.472 1.008 0.651 0.964 0.675 CB 1.670 84 residues pruned to eliminate duplicates Z: 158 123.370 2.510 0.987 0.713 0.943 0.682 CB 1.727 158 residues pruned to eliminate duplicates Z: 181 149.296 2.529 1.141 0.691 0.978 0.661 CB 1.765 181 residues pruned to eliminate duplicates Z: 153 122.067 2.500 1.013 0.687 0.947 0.618 CB 1.750 153 residues pruned to eliminate duplicates Z: 171 142.493 2.538 1.075 0.722 0.965 0.606 CB 1.760 171 residues pruned to eliminate duplicates Z: 101 110.493 2.521 1.161 0.703 0.970 0.700 CB 1.738 101 residues pruned to eliminate duplicates Z: 183 138.693 2.508 1.003 0.715 0.962 0.659 CB 1.751 183 residues pruned to eliminate duplicates Z: 130 127.906 2.513 1.094 0.736 0.977 0.705 CB 1.773 130 residues pruned to eliminate duplicates Z: 130 136.899 2.557 1.169 0.734 0.992 0.752 CB 1.775 130 residues pruned to eliminate duplicates Z: 230 156.247 2.512 1.038 0.723 0.952 0.659 CB 1.732 230 residues pruned to eliminate duplicates Z: 145 127.326 2.502 1.090 0.714 0.944 0.646 CB 1.769 145 residues pruned to eliminate duplicates Z: 117 116.536 2.521 1.126 0.708 0.957 0.733 CB 1.746 117 residues pruned to eliminate duplicates Z: 79 84.414 2.517 1.121 0.653 0.936 0.718 CB 1.660 79 residues pruned to eliminate duplicates Z: 81 88.526 2.482 1.150 0.655 0.963 0.650 CB 1.668 81 residues pruned to eliminate duplicates Z: 181 145.018 2.520 1.089 0.696 0.972 0.717 CB 1.765 181 residues pruned to eliminate duplicates Z: 80 84.137 2.512 1.080 0.658 0.937 0.608 CB 1.670 80 residues pruned to eliminate duplicates Z: 144 123.951 2.496 1.080 0.693 0.972 0.720 CB 1.721 144 residues pruned to eliminate duplicates Z: 179 134.520 2.496 1.047 0.683 0.966 0.669 CB 1.726 179 residues pruned to eliminate duplicates Z: 181 143.492 2.517 1.123 0.695 0.950 0.689 CB 1.763 181 residues pruned to eliminate duplicates Z: 157 123.671 2.500 1.028 0.710 0.936 0.622 CB 1.725 157 residues pruned to eliminate duplicates Z: 135 135.806 2.518 1.248 0.732 0.963 0.687 CB 1.747 135 residues pruned to eliminate duplicates Z: 180 142.534 2.519 1.135 0.687 0.950 0.642 CB 1.758 180 residues pruned to eliminate duplicates Z: 90 115.651 2.532 1.250 0.773 0.966 0.753 CB 1.750 90 residues pruned to eliminate duplicates Z: 180 146.614 2.509 1.168 0.697 0.966 0.648 CB 1.741 180 residues pruned to eliminate duplicates Z: 149 124.925 2.540 1.027 0.669 0.980 0.615 CB 1.741 149 residues pruned to eliminate duplicates Z: 185 144.442 2.518 1.124 0.706 0.951 0.663 CB 1.735 185 residues pruned to eliminate duplicates Z: 184 136.176 2.497 1.115 0.674 0.951 0.656 CB 1.707 184 residues pruned to eliminate duplicates Z: 180 147.305 2.520 1.146 0.699 0.966 0.626 CB 1.758 180 residues pruned to eliminate duplicates Z: 184 142.187 2.513 1.117 0.700 0.962 0.601 CB 1.711 184 residues pruned to eliminate duplicates Z: 47 61.314 2.344 0.937 0.714 0.935 0.761 CB 1.754 47 residues pruned to eliminate duplicates Z: 134 136.029 2.546 1.173 0.740 0.985 0.647 CB 1.746 134 residues pruned to eliminate duplicates Z: 43 60.681 2.388 0.931 0.701 0.929 0.786 CB 1.820 43 residues pruned to eliminate duplicates Z: 171 149.828 2.548 1.154 0.740 0.971 0.694 CB 1.740 171 residues pruned to eliminate duplicates Z: 181 143.938 2.514 1.118 0.697 0.967 0.628 CB 1.742 181 residues pruned to eliminate duplicates Z: 181 149.351 2.513 1.207 0.705 0.967 0.667 CB 1.724 181 residues pruned to eliminate duplicates Z: 183 141.373 2.517 1.137 0.693 0.956 0.632 CB 1.709 183 residues pruned to eliminate duplicates Z: 106 125.044 2.539 1.307 0.751 0.962 0.667 CB 1.732 106 residues pruned to eliminate duplicates Z: 185 146.955 2.516 1.150 0.700 0.978 0.592 CB 1.706 185 residues pruned to eliminate duplicates Z: 161 134.162 2.499 1.139 0.690 0.969 0.637 CB 1.721 161 residues pruned to eliminate duplicates Z: 111 118.255 2.518 1.186 0.715 0.982 0.636 CB 1.717 111 residues pruned to eliminate duplicates Z: 129 136.660 2.550 1.225 0.751 0.969 0.617 CB 1.756 129 residues pruned to eliminate duplicates Z: 183 141.924 2.496 1.172 0.707 0.940 0.593 CB 1.711 183 residues pruned to eliminate duplicates Z: 145 126.017 2.495 1.155 0.695 0.965 0.583 CB 1.693 145 residues pruned to eliminate duplicates Z: 124 111.901 2.443 1.163 0.685 0.976 0.585 CB 1.652 124 residues pruned to eliminate duplicates Z: 129 137.713 2.561 1.245 0.743 0.977 0.734 CB 1.744 129 residues pruned to eliminate duplicates Z: 45 62.824 2.324 1.123 0.644 0.955 0.705 CA 1.758 45 residues pruned to eliminate duplicates Z: 90 114.130 2.555 1.306 0.745 0.966 0.596 CB 1.707 90 residues pruned to eliminate duplicates Z: 179 142.975 2.521 1.171 0.685 0.955 0.579 CB 1.731 179 residues pruned to eliminate duplicates Z: 182 149.806 2.511 1.169 0.711 0.967 0.635 CB 1.746 182 residues pruned to eliminate duplicates Z: 25 53.022 2.358 0.919 0.925 0.917 0.833 CB 1.831 25 residues pruned to eliminate duplicates Z: 119 112.444 2.502 1.177 0.665 0.966 0.576 CB 1.688 119 residues pruned to eliminate duplicates Z: 181 139.138 2.496 1.106 0.695 0.956 0.583 CB 1.728 181 residues pruned to eliminate duplicates Z: 160 138.120 2.496 1.180 0.689 0.981 0.616 CB 1.726 160 residues pruned to eliminate duplicates Z: 178 133.859 2.467 1.155 0.666 0.949 0.605 CB 1.710 178 residues pruned to eliminate duplicates Z: 119 118.499 2.489 1.217 0.709 0.966 0.653 CB 1.693 119 residues pruned to eliminate duplicates Z: 181 145.528 2.515 1.151 0.703 0.972 0.617 CB 1.715 181 residues pruned to eliminate duplicates Z: 181 147.238 2.521 1.194 0.699 0.961 0.594 CB 1.723 181 residues pruned to eliminate duplicates Z: 81 78.761 2.375 1.024 0.693 0.913 0.625 CB 1.682 70 residues pruned to eliminate duplicates Z: 26 63.750 2.413 1.195 0.949 0.960 0.520 CB 1.731 26 residues pruned to eliminate duplicates Z: 182 137.825 2.493 1.191 0.689 0.934 0.558 CB 1.690 182 residues pruned to eliminate duplicates Z: 185 142.376 2.493 1.206 0.698 0.946 0.582 CB 1.685 185 residues pruned to eliminate duplicates Z: 230 156.646 2.492 1.159 0.722 0.939 0.568 CB 1.676 230 residues pruned to eliminate duplicates Z: 180 147.477 2.510 1.192 0.706 0.966 0.603 CB 1.719 180 residues pruned to eliminate duplicates Z: 108 126.616 2.540 1.275 0.746 0.981 0.664 CB 1.732 108 residues pruned to eliminate duplicates Z: 171 149.343 2.549 1.201 0.731 0.959 0.529 CB 1.730 171 residues pruned to eliminate duplicates Z: 142 132.407 2.513 1.212 0.701 0.979 0.596 CB 1.707 142 residues pruned to eliminate duplicates Z: 145 124.918 2.495 1.192 0.693 0.944 0.576 CB 1.689 145 residues pruned to eliminate duplicates Z: 72 79.718 2.527 0.988 0.702 0.915 0.521 CB 1.712 72 residues pruned to eliminate duplicates Z: 184 138.205 2.506 1.110 0.701 0.940 0.574 CB 1.712 184 residues pruned to eliminate duplicates Z: 136 121.134 2.485 1.175 0.720 0.933 0.556 CB 1.694 136 residues pruned to eliminate duplicates Z: 130 137.446 2.553 1.250 0.741 0.992 0.527 CB 1.710 130 residues pruned to eliminate duplicates Z: 179 140.099 2.502 1.142 0.689 0.961 0.624 CB 1.716 179 residues pruned to eliminate duplicates Z: 184 140.785 2.509 1.141 0.708 0.951 0.574 CB 1.686 184 residues pruned to eliminate duplicates Z: 163 142.454 2.549 1.206 0.739 0.944 0.605 CB 1.700 163 residues pruned to eliminate duplicates Z: 173 149.481 2.540 1.221 0.732 0.965 0.564 CB 1.699 173 residues pruned to eliminate duplicates Z: 184 133.281 2.489 1.125 0.695 0.923 0.563 CB 1.688 184 residues pruned to eliminate duplicates Z: 131 137.903 2.547 1.302 0.731 0.969 0.569 CB 1.729 131 residues pruned to eliminate duplicates Z: 130 138.268 2.539 1.274 0.750 0.977 0.628 CB 1.726 130 residues pruned to eliminate duplicates Z: 172 149.910 2.546 1.229 0.718 0.959 0.608 CB 1.729 172 residues pruned to eliminate duplicates Z: 142 132.749 2.505 1.227 0.711 0.972 0.681 CB 1.704 142 residues pruned to eliminate duplicates Z: 129 143.552 2.562 1.261 0.746 1.000 0.594 CB 1.759 129 residues pruned to eliminate duplicates Z: 133 135.445 2.547 1.261 0.741 0.962 0.644 CB 1.715 133 residues pruned to eliminate duplicates Z: 89 119.579 2.545 1.329 0.786 0.989 0.580 CB 1.692 89 residues pruned to eliminate duplicates Z: 183 142.797 2.506 1.152 0.683 0.962 0.626 CB 1.725 183 residues pruned to eliminate duplicates Z: 181 131.695 2.469 1.163 0.680 0.944 0.600 CB 1.649 181 residues pruned to eliminate duplicates Z: 184 141.312 2.514 1.130 0.692 0.956 0.607 CB 1.711 184 residues pruned to eliminate duplicates Z: 129 135.588 2.556 1.230 0.749 0.969 0.633 CB 1.738 129 residues pruned to eliminate duplicates Z: 159 132.484 2.498 1.144 0.711 0.962 0.582 CB 1.690 159 residues pruned to eliminate duplicates Z: 172 148.948 2.547 1.195 0.731 0.953 0.550 CB 1.736 172 residues pruned to eliminate duplicates Z: 144 128.541 2.498 1.230 0.696 0.965 0.615 CB 1.672 144 residues pruned to eliminate duplicates Z: 180 144.360 2.505 1.187 0.684 0.961 0.598 CB 1.731 180 residues pruned to eliminate duplicates Z: 184 141.330 2.504 1.134 0.711 0.945 0.596 CB 1.709 184 residues pruned to eliminate duplicates Z: 184 146.769 2.520 1.172 0.712 0.951 0.585 CB 1.721 184 residues pruned to eliminate duplicates Z: 20 28.967 2.158 0.744 0.671 0.947 0.316 CB 1.592 20 residues pruned to eliminate duplicates Z: 182 136.765 2.497 1.151 0.691 0.945 0.536 CB 1.681 182 residues pruned to eliminate duplicates Z: 147 137.465 2.538 1.224 0.731 0.952 0.630 CB 1.720 147 residues pruned to eliminate duplicates Z: 184 146.750 2.532 1.169 0.709 0.951 0.607 CB 1.719 184 residues pruned to eliminate duplicates Z: 181 140.463 2.513 1.137 0.685 0.961 0.650 CB 1.711 181 residues pruned to eliminate duplicates Z: 146 142.753 2.547 1.240 0.738 0.979 0.628 CB 1.714 146 residues pruned to eliminate duplicates Z: 43 56.979 2.530 0.947 0.692 0.881 0.405 CB 1.701 43 residues pruned to eliminate duplicates Z: 178 134.278 2.497 1.136 0.677 0.955 0.593 CB 1.684 51 residues pruned to eliminate duplicates Z: 28 55.807 2.475 1.087 0.840 0.889 0.630 CB 1.745 28 residues pruned to eliminate duplicates Z: 21 25.528 2.357 0.654 0.634 0.800 0.600 CB 1.614 21 residues pruned to eliminate duplicates Z: 183 146.388 2.517 1.140 0.699 0.973 0.610 CB 1.728 183 residues pruned to eliminate duplicates Z: 185 147.696 2.510 1.151 0.703 0.967 0.598 CB 1.733 185 residues pruned to eliminate duplicates Z: 231 165.492 2.505 1.189 0.712 0.957 0.622 CB 1.717 231 residues pruned to eliminate duplicates Z: 44 66.275 2.507 0.967 0.686 0.953 0.674 CB 1.813 44 residues pruned to eliminate duplicates Z: 183 144.488 2.503 1.228 0.691 0.956 0.571 CB 1.686 183 residues pruned to eliminate duplicates Z: 183 151.023 2.526 1.236 0.715 0.945 0.665 CB 1.727 183 residues pruned to eliminate duplicates Z: 185 147.529 2.503 1.185 0.708 0.957 0.641 CB 1.722 185 residues pruned to eliminate duplicates Z: 187 147.672 2.511 1.169 0.696 0.968 0.597 CB 1.718 187 residues pruned to eliminate duplicates Z: 184 148.915 2.522 1.167 0.710 0.962 0.612 CB 1.731 184 residues pruned to eliminate duplicates Z: 184 147.079 2.519 1.180 0.701 0.956 0.612 CB 1.724 184 residues pruned to eliminate duplicates Z: 184 150.766 2.524 1.189 0.706 0.973 0.601 CB 1.720 184 residues pruned to eliminate duplicates Z: 43 67.607 2.551 0.998 0.699 0.952 0.619 CB 1.792 43 residues pruned to eliminate duplicates Z: 184 146.274 2.514 1.193 0.699 0.951 0.596 CB 1.720 184 residues pruned to eliminate duplicates Z: 183 144.893 2.513 1.188 0.705 0.951 0.577 CB 1.706 183 residues pruned to eliminate duplicates Z: 187 152.867 2.500 1.246 0.701 0.968 0.613 CB 1.717 187 residues pruned to eliminate duplicates Z: 173 148.822 2.551 1.181 0.723 0.971 0.610 CB 1.719 173 residues pruned to eliminate duplicates Z: 218 163.700 2.516 1.129 0.736 0.972 0.654 CB 1.727 218 residues pruned to eliminate duplicates Z: 184 151.048 2.524 1.192 0.705 0.967 0.634 CB 1.732 184 residues pruned to eliminate duplicates Z: 184 143.658 2.524 1.117 0.704 0.945 0.612 CB 1.746 184 residues pruned to eliminate duplicates Z: 184 148.761 2.517 1.126 0.711 0.973 0.623 CB 1.745 184 residues pruned to eliminate duplicates Z: 184 151.136 2.519 1.199 0.705 0.973 0.645 CB 1.721 184 residues pruned to eliminate duplicates Z: 182 140.956 2.506 1.114 0.690 0.956 0.586 CB 1.739 182 residues pruned to eliminate duplicates Z: 169 152.860 2.543 1.237 0.724 0.970 0.589 CB 1.746 169 residues pruned to eliminate duplicates Z: 216 163.648 2.525 1.203 0.720 0.944 0.633 CB 1.741 216 residues pruned to eliminate duplicates Z: 171 159.545 2.556 1.238 0.737 0.982 0.624 CB 1.760 171 residues pruned to eliminate duplicates Z: 183 149.291 2.525 1.147 0.704 0.978 0.610 CB 1.734 183 residues pruned to eliminate duplicates Z: 181 152.677 2.512 1.214 0.703 0.978 0.650 CB 1.739 181 residues pruned to eliminate duplicates Z: 55 54.291 2.378 0.892 0.577 0.926 0.648 CB 1.647 55 residues pruned to eliminate duplicates Z: 84 73.386 2.448 0.949 0.639 0.928 0.687 CB 1.598 84 residues pruned to eliminate duplicates Z: 180 153.237 2.534 1.235 0.697 0.966 0.615 CB 1.748 180 residues pruned to eliminate duplicates Z: 14 11.700 2.014 0.559 0.333 0.923 0.385 CB 1.343 14 residues pruned to eliminate duplicates Z: 142 129.772 2.517 1.141 0.709 0.965 0.738 CB 1.739 142 residues pruned to eliminate duplicates Z: 102 92.833 2.499 0.914 0.687 0.970 0.772 CB 1.676 102 residues pruned to eliminate duplicates Z: 14 11.674 2.000 0.617 0.373 0.923 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 13 13.763 2.070 0.633 0.455 0.833 0.583 CB 1.477 13 residues pruned to eliminate duplicates Z: 12 15.124 2.016 0.681 0.366 1.000 0.545 CB 1.553 12 residues pruned to eliminate duplicates Z: 180 133.479 2.515 1.014 0.673 0.966 0.698 CB 1.738 180 residues pruned to eliminate duplicates Z: 180 150.567 2.518 1.197 0.697 0.983 0.620 CB 1.729 180 residues pruned to eliminate duplicates Z: 179 144.834 2.510 1.167 0.691 0.966 0.562 CB 1.733 179 residues pruned to eliminate duplicates Z: 184 134.700 2.508 1.028 0.698 0.940 0.650 CB 1.739 184 residues pruned to eliminate duplicates Z: 119 103.768 2.523 0.987 0.646 0.966 0.686 CB 1.720 119 residues pruned to eliminate duplicates Z: 79 80.755 2.513 0.931 0.653 0.962 0.718 CB 1.700 79 residues pruned to eliminate duplicates Z: 184 133.670 2.510 1.036 0.686 0.945 0.667 CB 1.724 184 residues pruned to eliminate duplicates Z: 159 123.966 2.510 0.936 0.698 0.956 0.728 CB 1.773 159 residues pruned to eliminate duplicates Z: 182 137.856 2.501 1.052 0.691 0.956 0.685 CB 1.754 167 residues pruned to eliminate duplicates Z: 8 11.078 2.185 0.623 0.386 0.857 0.714 CA 1.555 Z: 10 16.373 2.132 0.678 0.536 1.000 0.667 CA 1.474 18 residues pruned to eliminate duplicates Z: 128 128.256 2.568 1.074 0.746 0.961 0.748 CB 1.785 128 residues pruned to eliminate duplicates Z: 180 139.002 2.531 1.036 0.690 0.955 0.648 CB 1.775 148 residues pruned to eliminate duplicates Z: 6 6.437 1.948 0.450 0.322 1.000 0.600 CA 1.240 Z: 6 3.135 1.610 0.052 0.338 1.000 0.400 CA 0.989 5 residues pruned to eliminate duplicates Z: 11 21.779 2.520 0.548 0.766 0.900 0.800 CB 1.549 11 residues pruned to eliminate duplicates Z: 230 166.957 2.516 1.141 0.717 0.974 0.642 CB 1.728 237 residues pruned to eliminate duplicates Z: 48 74.893 2.457 1.090 0.775 0.979 0.681 CB 1.704 48 residues pruned to eliminate duplicates Z: 46 87.557 2.530 1.229 0.812 0.978 0.600 CB 1.804 46 residues pruned to eliminate duplicates Z: 230 171.010 2.521 1.204 0.715 0.961 0.611 CB 1.742 230 residues pruned to eliminate duplicates Z: 227 164.597 2.510 1.224 0.695 0.960 0.562 CB 1.709 227 residues pruned to eliminate duplicates Z: 217 167.179 2.533 1.186 0.734 0.972 0.579 CB 1.712 217 residues pruned to eliminate duplicates Z: 47 76.160 2.478 1.044 0.770 0.978 0.783 CB 1.784 47 residues pruned to eliminate duplicates Z: 91 97.309 2.492 1.060 0.705 0.956 0.678 CB 1.736 91 residues pruned to eliminate duplicates Z: 230 169.317 2.509 1.182 0.713 0.969 0.664 CB 1.737 87 residues pruned to eliminate duplicates Z: 15 32.069 2.331 0.939 0.820 0.929 0.571 CB 1.547 15 residues pruned to eliminate duplicates Z: 49 71.149 2.454 1.049 0.758 0.958 0.729 CB 1.695 49 residues pruned to eliminate duplicates Z: 47 72.447 2.459 1.003 0.774 0.957 0.717 CB 1.780 47 residues pruned to eliminate duplicates Z: 175 160.512 2.538 1.205 0.748 0.989 0.621 CB 1.763 175 residues pruned to eliminate duplicates Z: 28 29.088 2.233 0.846 0.524 0.889 0.630 CB 1.492 28 residues pruned to eliminate duplicates Z: 230 172.479 2.511 1.209 0.719 0.978 0.616 CB 1.723 230 residues pruned to eliminate duplicates Z: 230 171.966 2.526 1.196 0.716 0.965 0.699 CB 1.747 230 residues pruned to eliminate duplicates Z: 217 176.074 2.547 1.179 0.744 0.981 0.630 CB 1.769 217 residues pruned to eliminate duplicates Z: 230 170.756 2.519 1.155 0.720 0.978 0.659 CB 1.743 230 residues pruned to eliminate duplicates Z: 20 34.398 2.321 1.061 0.733 0.947 0.684 CB 1.412 20 residues pruned to eliminate duplicates Z: 89 92.333 2.444 1.096 0.695 0.932 0.659 CB 1.726 89 residues pruned to eliminate duplicates Z: 227 164.599 2.502 1.166 0.709 0.965 0.615 CB 1.732 227 residues pruned to eliminate duplicates Z: 217 175.804 2.542 1.239 0.738 0.972 0.699 CB 1.746 217 residues pruned to eliminate duplicates Z: 48 79.558 2.499 1.266 0.765 0.957 0.766 CB 1.692 48 residues pruned to eliminate duplicates Z: 229 168.804 2.511 1.182 0.714 0.974 0.627 CB 1.726 229 residues pruned to eliminate duplicates Z: 230 168.125 2.514 1.161 0.711 0.974 0.624 CB 1.735 230 residues pruned to eliminate duplicates Z: 217 164.248 2.511 1.183 0.715 0.968 0.657 CB 1.734 217 residues pruned to eliminate duplicates Z: 90 102.851 2.512 1.091 0.707 0.966 0.629 CB 1.780 90 residues pruned to eliminate duplicates Z: 227 167.326 2.505 1.171 0.709 0.973 0.659 CB 1.739 227 residues pruned to eliminate duplicates Z: 27 58.761 2.445 0.989 0.878 0.923 0.462 CB 1.863 27 residues pruned to eliminate duplicates Z: 48 78.436 2.481 1.220 0.773 0.957 0.574 CB 1.705 48 residues pruned to eliminate duplicates Z: 216 167.957 2.523 1.199 0.729 0.972 0.591 CB 1.729 216 residues pruned to eliminate duplicates Z: 210 161.372 2.494 1.217 0.715 0.952 0.593 CB 1.745 79 residues pruned to eliminate duplicates Z: 25 88.140 2.545 1.550 0.934 1.000 0.542 CB 1.934 27 residues pruned to eliminate duplicates Z: 25 63.142 2.545 1.313 0.911 0.833 0.458 CB 1.863 25 residues pruned to eliminate duplicates Z: 230 171.920 2.515 1.176 0.718 0.983 0.603 CB 1.734 230 residues pruned to eliminate duplicates Z: 227 171.555 2.515 1.208 0.715 0.965 0.593 CB 1.754 227 residues pruned to eliminate duplicates Z: 49 71.447 2.444 1.181 0.736 0.938 0.458 CB 1.670 49 residues pruned to eliminate duplicates Z: 48 82.351 2.485 1.374 0.757 0.979 0.574 CB 1.655 48 residues pruned to eliminate duplicates Z: 91 110.441 2.507 1.188 0.726 0.978 0.622 CB 1.770 91 residues pruned to eliminate duplicates Z: 230 171.938 2.512 1.217 0.717 0.969 0.646 CB 1.730 208 residues pruned to eliminate duplicates Z: 25 75.589 2.564 1.448 0.906 0.958 0.458 CB 1.824 27 residues pruned to eliminate duplicates Z: 25 79.736 2.547 1.456 0.925 0.958 0.542 CB 1.906 25 residues pruned to eliminate duplicates Z: 27 79.225 2.472 1.525 0.876 1.000 0.538 CB 1.809 27 residues pruned to eliminate duplicates Z: 47 84.815 2.468 1.356 0.789 0.978 0.500 CB 1.705 47 residues pruned to eliminate duplicates Z: 231 173.926 2.502 1.269 0.711 0.970 0.530 CB 1.722 231 residues pruned to eliminate duplicates Z: 187 149.080 2.514 1.213 0.685 0.946 0.554 CB 1.753 193 residues pruned to eliminate duplicates Z: 181 148.334 2.556 1.172 0.688 0.956 0.600 CB 1.754 181 residues pruned to eliminate duplicates Z: 182 157.970 2.565 1.228 0.701 0.967 0.657 CB 1.770 182 residues pruned to eliminate duplicates Z: 34 51.738 2.429 1.169 0.716 0.879 0.636 CB 1.600 34 residues pruned to eliminate duplicates Z: 128 137.553 2.602 1.272 0.736 0.969 0.559 CB 1.725 128 residues pruned to eliminate duplicates Z: 103 127.473 2.582 1.290 0.758 0.971 0.608 CB 1.747 103 residues pruned to eliminate duplicates Z: 130 143.873 2.596 1.299 0.738 0.992 0.620 CB 1.728 130 residues pruned to eliminate duplicates Z: 116 128.566 2.564 1.259 0.718 0.974 0.513 CB 1.745 116 residues pruned to eliminate duplicates Z: 132 145.292 2.595 1.339 0.724 0.969 0.634 CB 1.762 132 residues pruned to eliminate duplicates Z: 142 134.171 2.569 1.263 0.691 0.957 0.567 CB 1.705 142 residues pruned to eliminate duplicates Z: 182 146.977 2.560 1.203 0.689 0.939 0.602 CB 1.735 182 residues pruned to eliminate duplicates Z: 129 138.747 2.588 1.296 0.732 0.961 0.617 CB 1.744 129 residues pruned to eliminate duplicates Z: 182 153.439 2.560 1.230 0.696 0.950 0.613 CB 1.758 144 residues pruned to eliminate duplicates Z: 9 22.787 2.339 0.721 0.863 1.000 0.625 CB 1.468 9 residues pruned to eliminate duplicates Z: 162 141.829 2.540 1.179 0.678 0.957 0.559 CB 1.792 158 residues pruned to eliminate duplicates Z: 27 75.833 2.555 1.379 0.932 1.000 0.808 CB 1.708 27 residues pruned to eliminate duplicates Z: 181 157.840 2.593 1.243 0.706 0.944 0.572 CB 1.776 181 residues pruned to eliminate duplicates Z: 95 105.055 2.548 1.173 0.735 0.904 0.543 CB 1.753 95 residues pruned to eliminate duplicates Z: 146 139.411 2.546 1.260 0.703 0.986 0.579 CB 1.696 146 residues pruned to eliminate duplicates Z: 184 152.068 2.558 1.209 0.701 0.934 0.585 CB 1.772 184 residues pruned to eliminate duplicates Z: 183 145.054 2.537 1.133 0.680 0.962 0.582 CB 1.751 183 residues pruned to eliminate duplicates Z: 209 168.592 2.572 1.170 0.740 0.962 0.649 CB 1.757 209 residues pruned to eliminate duplicates Z: 133 128.213 2.574 1.185 0.737 0.939 0.659 CB 1.708 133 residues pruned to eliminate duplicates Z: 183 154.827 2.544 1.210 0.694 0.967 0.632 CB 1.768 183 residues pruned to eliminate duplicates Z: 78 108.781 2.566 1.335 0.790 0.948 0.610 CB 1.691 78 residues pruned to eliminate duplicates Z: 184 146.599 2.556 1.195 0.705 0.929 0.579 CB 1.726 184 residues pruned to eliminate duplicates Z: 55 86.932 2.541 1.218 0.762 0.963 0.648 CB 1.727 55 residues pruned to eliminate duplicates Z: 182 151.237 2.557 1.187 0.692 0.956 0.597 CB 1.764 182 residues pruned to eliminate duplicates Z: 144 134.366 2.551 1.240 0.690 0.958 0.608 CB 1.725 144 residues pruned to eliminate duplicates Z: 231 162.508 2.544 1.132 0.703 0.948 0.609 CB 1.733 202 residues pruned to eliminate duplicates Z: 18 64.421 2.515 1.417 0.903 1.000 0.882 CB 1.831 18 residues pruned to eliminate duplicates Z: 183 154.629 2.542 1.219 0.693 0.962 0.533 CB 1.771 183 residues pruned to eliminate duplicates Z: 151 133.501 2.535 1.177 0.697 0.960 0.580 CB 1.719 151 residues pruned to eliminate duplicates Z: 181 144.436 2.548 1.146 0.681 0.956 0.583 CB 1.745 181 residues pruned to eliminate duplicates Z: 143 139.596 2.568 1.263 0.700 0.965 0.528 CB 1.742 143 residues pruned to eliminate duplicates Z: 183 146.312 2.542 1.174 0.684 0.951 0.549 CB 1.743 183 residues pruned to eliminate duplicates Z: 28 45.153 2.466 1.142 0.639 0.889 0.519 CB 1.625 28 residues pruned to eliminate duplicates Z: 145 133.815 2.545 1.254 0.692 0.958 0.528 CB 1.701 145 residues pruned to eliminate duplicates Z: 145 137.331 2.551 1.267 0.709 0.951 0.597 CB 1.720 145 residues pruned to eliminate duplicates Z: 183 151.986 2.559 1.241 0.702 0.951 0.549 CB 1.720 183 residues pruned to eliminate duplicates Z: 156 143.087 2.570 1.174 0.715 0.961 0.555 CB 1.761 156 residues pruned to eliminate duplicates Z: 143 127.077 2.539 1.195 0.676 0.958 0.479 CB 1.699 143 residues pruned to eliminate duplicates Z: 186 142.762 2.528 1.178 0.666 0.941 0.541 CB 1.738 186 residues pruned to eliminate duplicates Z: 187 147.966 2.542 1.144 0.680 0.968 0.608 CB 1.744 187 residues pruned to eliminate duplicates Z: 115 120.861 2.556 1.215 0.730 0.947 0.579 CB 1.716 115 residues pruned to eliminate duplicates Z: 21 23.807 2.204 0.620 0.678 0.750 0.350 CB 1.688 21 residues pruned to eliminate duplicates Z: 46 60.886 2.529 0.973 0.671 0.889 0.511 CB 1.748 46 residues pruned to eliminate duplicates Z: 42 70.274 2.598 1.054 0.697 0.902 0.610 CB 1.905 42 residues pruned to eliminate duplicates Z: 46 67.208 2.541 0.932 0.683 0.933 0.600 CB 1.849 46 residues pruned to eliminate duplicates Z: 178 147.062 2.567 1.189 0.699 0.938 0.571 CB 1.748 178 residues pruned to eliminate duplicates Z: 226 157.926 2.524 1.150 0.687 0.942 0.587 CB 1.734 226 residues pruned to eliminate duplicates Z: 183 149.251 2.559 1.173 0.690 0.956 0.544 CB 1.749 183 residues pruned to eliminate duplicates Z: 230 164.581 2.531 1.135 0.702 0.965 0.576 CB 1.734 230 residues pruned to eliminate duplicates Z: 170 156.710 2.589 1.212 0.725 0.964 0.627 CB 1.781 170 residues pruned to eliminate duplicates Z: 228 175.257 2.547 1.216 0.710 0.969 0.586 CB 1.758 230 residues pruned to eliminate duplicates Z: 28 54.210 2.466 0.847 0.841 0.963 0.556 CA 1.773 28 residues pruned to eliminate duplicates Z: 182 154.868 2.564 1.176 0.697 0.972 0.575 CB 1.773 44 residues pruned to eliminate duplicates Z: 26 67.549 2.487 1.178 0.837 0.960 0.640 CB 1.944 26 residues pruned to eliminate duplicates Z: 184 150.033 2.551 1.208 0.686 0.951 0.530 CB 1.746 184 residues pruned to eliminate duplicates Z: 81 90.316 2.513 0.982 0.713 0.938 0.650 CB 1.783 81 residues pruned to eliminate duplicates Z: 44 66.542 2.524 0.924 0.653 0.953 0.512 CB 1.900 44 residues pruned to eliminate duplicates Z: 45 63.185 2.533 0.973 0.632 0.909 0.545 CB 1.852 45 residues pruned to eliminate duplicates Z: 70 87.514 2.546 1.125 0.645 0.942 0.493 CB 1.805 70 residues pruned to eliminate duplicates Z: 181 147.533 2.560 1.145 0.680 0.961 0.578 CB 1.766 181 residues pruned to eliminate duplicates Z: 44 72.334 2.559 1.063 0.655 0.953 0.535 CB 1.897 44 residues pruned to eliminate duplicates Z: 45 67.252 2.528 1.039 0.660 0.909 0.705 CB 1.864 45 residues pruned to eliminate duplicates Z: 47 67.583 2.519 1.031 0.617 0.913 0.609 CB 1.910 47 residues pruned to eliminate duplicates Z: 230 170.249 2.524 1.178 0.701 0.969 0.651 CB 1.758 230 residues pruned to eliminate duplicates Z: 47 66.881 2.496 1.015 0.666 0.913 0.543 CB 1.840 47 residues pruned to eliminate duplicates Z: 44 70.021 2.568 1.032 0.663 0.930 0.581 CB 1.891 44 residues pruned to eliminate duplicates Z: 230 174.511 2.550 1.181 0.710 0.969 0.572 CB 1.769 229 residues pruned to eliminate duplicates Z: 30 58.754 2.471 0.938 0.762 1.000 0.690 CA 1.806 30 residues pruned to eliminate duplicates Z: 170 154.949 2.583 1.222 0.724 0.953 0.580 CB 1.781 170 residues pruned to eliminate duplicates Z: 80 99.460 2.537 1.046 0.734 0.962 0.646 CB 1.816 80 residues pruned to eliminate duplicates Z: 160 147.520 2.585 1.201 0.724 0.969 0.585 CB 1.735 160 residues pruned to eliminate duplicates Z: 185 155.212 2.556 1.222 0.698 0.957 0.625 CB 1.758 185 residues pruned to eliminate duplicates Z: 23 26.409 2.358 0.840 0.422 0.818 0.455 CB 1.720 23 residues pruned to eliminate duplicates Z: 45 65.569 2.506 1.014 0.636 0.955 0.659 CB 1.806 45 residues pruned to eliminate duplicates Z: 121 132.027 2.544 1.276 0.736 0.967 0.600 CB 1.742 121 residues pruned to eliminate duplicates Z: 22 32.624 2.500 0.983 0.456 0.857 0.571 CB 1.753 22 residues pruned to eliminate duplicates Z: 183 149.900 2.544 1.168 0.684 0.973 0.582 CB 1.750 182 residues pruned to eliminate duplicates Z: 11 34.994 2.443 1.204 0.761 0.900 0.500 CB 1.811 11 residues pruned to eliminate duplicates Z: 44 62.021 2.460 0.943 0.640 0.953 0.581 CB 1.821 44 residues pruned to eliminate duplicates Z: 182 142.135 2.549 1.051 0.690 0.950 0.641 CB 1.787 182 residues pruned to eliminate duplicates Z: 180 127.204 2.510 0.954 0.649 0.939 0.670 CB 1.798 127 residues pruned to eliminate duplicates Z: 7 5.983 1.988 0.697 0.298 0.667 0.333 CA 1.360 7 residues pruned to eliminate duplicates Z: 182 147.060 2.552 1.107 0.684 0.972 0.586 CB 1.765 182 residues pruned to eliminate duplicates Z: 180 151.694 2.561 1.157 0.684 0.966 0.603 CB 1.794 180 residues pruned to eliminate duplicates Z: 78 86.663 2.550 0.981 0.655 0.974 0.701 CB 1.737 78 residues pruned to eliminate duplicates Z: 182 131.164 2.539 0.924 0.673 0.956 0.663 CB 1.779 182 residues pruned to eliminate duplicates Z: 180 141.767 2.559 1.106 0.668 0.944 0.564 CB 1.783 124 residues pruned to eliminate duplicates Z: 7 7.791 1.998 0.712 0.427 0.833 0.333 CA 1.203 7 residues pruned to eliminate duplicates Z: 181 147.997 2.559 1.145 0.683 0.967 0.556 CB 1.757 181 residues pruned to eliminate duplicates Z: 182 142.823 2.554 1.138 0.663 0.939 0.630 CB 1.780 182 residues pruned to eliminate duplicates Z: 130 123.239 2.581 1.042 0.723 0.961 0.698 CB 1.752 72 residues pruned to eliminate duplicates Z: 6 5.252 2.089 0.435 0.438 0.600 0.600 CA 1.392 Z: 7 8.362 1.874 0.295 0.588 1.000 0.667 CB 1.292 6 residues pruned to eliminate duplicates Z: 7 5.478 1.916 0.179 0.637 0.833 0.333 CA 1.045 7 residues pruned to eliminate duplicates Z: 180 142.487 2.538 1.137 0.655 0.961 0.587 CB 1.769 187 residues pruned to eliminate duplicates Z: 105 118.049 2.573 1.036 0.750 0.990 0.769 CB 1.784 105 residues pruned to eliminate duplicates Z: 6 6.486 1.677 0.812 0.436 1.000 0.800 CA 1.020 Z: 7 3.672 1.800 0.226 0.242 0.833 0.667 CA 1.099 5 residues pruned to eliminate duplicates Z: 7 12.308 2.166 0.658 0.452 1.000 0.333 CA 1.470 7 residues pruned to eliminate duplicates Z: 183 145.244 2.545 1.042 0.677 0.989 0.731 CB 1.779 191 residues pruned to eliminate duplicates Z: 180 137.628 2.533 1.017 0.688 0.944 0.670 CB 1.795 180 residues pruned to eliminate duplicates Z: 183 136.414 2.529 1.001 0.683 0.945 0.670 CB 1.787 183 residues pruned to eliminate duplicates Z: 56 83.736 2.594 1.095 0.676 0.964 0.691 CB 1.833 56 residues pruned to eliminate duplicates Z: 184 140.475 2.538 1.037 0.693 0.956 0.667 CB 1.760 184 residues pruned to eliminate duplicates Z: 78 85.401 2.564 0.959 0.666 0.948 0.675 CB 1.753 78 residues pruned to eliminate duplicates Z: 181 147.438 2.550 1.151 0.675 0.950 0.589 CB 1.794 181 residues pruned to eliminate duplicates Z: 182 138.612 2.544 0.992 0.693 0.961 0.646 CB 1.773 131 residues pruned to eliminate duplicates Z: 22 60.525 2.500 1.211 0.870 1.000 0.810 CB 1.744 22 residues pruned to eliminate duplicates Z: 106 105.550 2.587 0.965 0.656 0.971 0.743 CB 1.804 106 residues pruned to eliminate duplicates Z: 143 123.816 2.557 1.044 0.690 0.965 0.718 CB 1.731 143 residues pruned to eliminate duplicates Z: 71 78.218 2.526 0.947 0.615 0.971 0.671 CB 1.755 71 residues pruned to eliminate duplicates Z: 144 128.184 2.554 1.092 0.699 0.951 0.671 CB 1.760 144 residues pruned to eliminate duplicates Z: 102 99.560 2.569 1.036 0.619 0.931 0.614 CB 1.818 102 residues pruned to eliminate duplicates Z: 181 142.793 2.545 1.076 0.689 0.961 0.711 CB 1.763 181 residues pruned to eliminate duplicates Z: 178 138.395 2.545 1.061 0.651 0.972 0.638 CB 1.773 178 residues pruned to eliminate duplicates Z: 70 70.347 2.537 0.860 0.604 0.928 0.638 CB 1.752 70 residues pruned to eliminate duplicates Z: 71 75.071 2.504 0.954 0.599 0.957 0.600 CB 1.744 71 residues pruned to eliminate duplicates Z: 77 83.271 2.503 0.951 0.686 0.961 0.684 CB 1.717 77 residues pruned to eliminate duplicates Z: 64 96.196 2.634 1.119 0.733 0.984 0.730 CB 1.789 64 residues pruned to eliminate duplicates Z: 183 147.562 2.549 1.105 0.685 0.956 0.610 CB 1.799 157 residues pruned to eliminate duplicates Z: 30 68.449 2.549 1.147 0.816 1.000 0.759 CB 1.765 30 residues pruned to eliminate duplicates Z: 109 91.968 2.503 0.944 0.605 0.935 0.528 CB 1.760 109 residues pruned to eliminate duplicates Z: 129 127.229 2.585 1.043 0.734 0.977 0.742 CB 1.768 129 residues pruned to eliminate duplicates Z: 147 125.635 2.524 1.059 0.682 0.966 0.685 CB 1.753 147 residues pruned to eliminate duplicates Z: 180 139.365 2.541 1.072 0.667 0.944 0.615 CB 1.796 180 residues pruned to eliminate duplicates Z: 64 91.389 2.615 1.100 0.710 0.968 0.746 CB 1.790 64 residues pruned to eliminate duplicates Z: 66 90.304 2.580 1.131 0.709 0.954 0.692 CB 1.767 61 residues pruned to eliminate duplicates Z: 11 46.093 2.451 1.518 0.917 1.000 0.700 CB 1.667 Z: 11 37.789 2.396 1.302 0.829 1.000 0.700 CB 1.631 11 residues pruned to eliminate duplicates Z: 156 133.635 2.565 1.020 0.712 0.974 0.684 CB 1.755 167 residues pruned to eliminate duplicates Z: 139 107.803 2.530 0.969 0.620 0.928 0.609 CB 1.773 139 residues pruned to eliminate duplicates Z: 229 162.203 2.559 1.065 0.715 0.947 0.689 CB 1.766 229 residues pruned to eliminate duplicates Z: 70 82.301 2.533 1.019 0.616 0.986 0.536 CB 1.761 70 residues pruned to eliminate duplicates Z: 64 88.773 2.601 1.077 0.712 0.968 0.746 CB 1.764 64 residues pruned to eliminate duplicates Z: 182 145.679 2.554 1.077 0.691 0.961 0.685 CB 1.783 182 residues pruned to eliminate duplicates Z: 117 115.455 2.554 0.972 0.710 0.983 0.741 CB 1.790 77 residues pruned to eliminate duplicates Z: 31 59.493 2.435 0.909 0.907 0.967 0.833 CB 1.718 31 residues pruned to eliminate duplicates Z: 131 127.913 2.558 1.126 0.733 0.954 0.777 CB 1.754 131 residues pruned to eliminate duplicates Z: 183 139.464 2.544 1.025 0.694 0.951 0.670 CB 1.768 183 residues pruned to eliminate duplicates Z: 208 133.651 2.494 0.994 0.669 0.942 0.652 CB 1.695 180 residues pruned to eliminate duplicates Z: 22 46.076 2.540 0.724 0.934 1.000 0.905 CB 1.601 22 residues pruned to eliminate duplicates Z: 82 86.949 2.519 1.024 0.636 0.963 0.679 CB 1.732 82 residues pruned to eliminate duplicates Z: 89 91.243 2.508 0.998 0.666 0.966 0.648 CB 1.724 89 residues pruned to eliminate duplicates Z: 56 85.292 2.615 1.110 0.672 0.982 0.636 CB 1.812 56 residues pruned to eliminate duplicates Z: 122 115.045 2.549 1.063 0.653 0.959 0.678 CB 1.799 122 residues pruned to eliminate duplicates Z: 181 148.687 2.554 1.120 0.683 0.961 0.667 CB 1.799 209 residues pruned to eliminate duplicates Z: 31 67.880 2.504 1.046 0.918 1.000 0.667 CB 1.705 31 residues pruned to eliminate duplicates Z: 143 128.078 2.550 1.109 0.696 0.958 0.655 CB 1.745 143 residues pruned to eliminate duplicates Z: 81 92.552 2.517 1.166 0.657 0.950 0.562 CB 1.727 81 residues pruned to eliminate duplicates Z: 183 151.838 2.562 1.178 0.682 0.967 0.665 CB 1.764 183 residues pruned to eliminate duplicates Z: 218 165.779 2.559 1.123 0.739 0.945 0.696 CB 1.770 218 residues pruned to eliminate duplicates Z: 181 149.477 2.556 1.131 0.691 0.961 0.650 CB 1.788 181 residues pruned to eliminate duplicates Z: 181 154.588 2.572 1.129 0.690 0.983 0.594 CB 1.798 181 residues pruned to eliminate duplicates Z: 163 131.507 2.523 1.136 0.692 0.926 0.636 CB 1.738 163 residues pruned to eliminate duplicates Z: 131 117.059 2.557 1.029 0.658 0.969 0.631 CB 1.763 131 residues pruned to eliminate duplicates Z: 144 130.059 2.549 1.179 0.695 0.951 0.664 CB 1.723 144 residues pruned to eliminate duplicates Z: 110 116.362 2.541 1.168 0.693 0.982 0.688 CB 1.727 110 residues pruned to eliminate duplicates Z: 146 132.199 2.539 1.192 0.684 0.959 0.614 CB 1.739 122 residues pruned to eliminate duplicates Z: 32 79.364 2.512 1.565 0.901 0.968 0.548 CB 1.631 32 residues pruned to eliminate duplicates Z: 182 154.115 2.553 1.182 0.690 0.983 0.619 CB 1.758 182 residues pruned to eliminate duplicates Z: 33 79.248 2.442 1.631 0.886 0.969 0.469 CB 1.624 33 residues pruned to eliminate duplicates Z: 49 74.970 2.492 1.116 0.704 0.958 0.833 CB 1.778 49 residues pruned to eliminate duplicates Z: 185 145.862 2.551 1.191 0.678 0.940 0.614 CB 1.737 185 residues pruned to eliminate duplicates Z: 91 124.122 2.597 1.313 0.746 0.978 0.611 CB 1.788 91 residues pruned to eliminate duplicates Z: 172 146.596 2.564 1.236 0.721 0.936 0.602 CB 1.712 172 residues pruned to eliminate duplicates Z: 183 150.926 2.564 1.183 0.691 0.951 0.632 CB 1.765 183 residues pruned to eliminate duplicates Z: 183 148.706 2.553 1.110 0.695 0.962 0.621 CB 1.781 183 residues pruned to eliminate duplicates Z: 141 132.937 2.559 1.298 0.697 0.929 0.579 CB 1.720 141 residues pruned to eliminate duplicates Z: 128 136.595 2.593 1.255 0.740 0.961 0.614 CB 1.740 128 residues pruned to eliminate duplicates Z: 48 72.050 2.435 1.131 0.784 0.915 0.766 CB 1.724 Z: 21 32.535 2.229 0.925 0.750 0.950 0.500 CB 1.428 21 residues pruned to eliminate duplicates Z: 20 32.456 2.212 0.757 0.761 1.000 0.579 CB 1.520 20 residues pruned to eliminate duplicates Z: 228 167.372 2.538 1.149 0.707 0.960 0.581 CB 1.756 276 residues pruned to eliminate duplicates Z: 48 76.187 2.439 1.077 0.786 0.957 0.723 CB 1.782 Z: 20 34.182 2.179 0.788 0.876 1.000 0.684 CB 1.463 20 residues pruned to eliminate duplicates Z: 229 166.339 2.552 1.126 0.705 0.961 0.636 CB 1.753 277 residues pruned to eliminate duplicates Z: 91 98.179 2.495 1.029 0.700 0.944 0.656 CB 1.804 91 residues pruned to eliminate duplicates Z: 47 76.556 2.437 1.016 0.804 0.978 0.674 CB 1.801 Z: 19 37.624 2.272 0.848 0.848 1.000 0.556 CB 1.568 19 residues pruned to eliminate duplicates Z: 35 68.748 2.503 1.081 0.803 1.000 0.765 CB 1.737 35 residues pruned to eliminate duplicates Z: 18 38.247 2.266 1.163 0.804 0.941 0.647 CB 1.542 18 residues pruned to eliminate duplicates Z: 230 164.018 2.528 1.175 0.694 0.948 0.555 CB 1.742 277 residues pruned to eliminate duplicates Z: 213 145.815 2.508 1.143 0.672 0.934 0.590 CB 1.703 213 residues pruned to eliminate duplicates Z: 47 75.244 2.478 1.095 0.767 0.978 0.543 CB 1.724 Z: 18 43.618 2.349 1.152 0.860 1.000 0.529 CB 1.539 22 residues pruned to eliminate duplicates Z: 19 38.093 2.253 1.354 0.776 0.889 0.444 CB 1.493 19 residues pruned to eliminate duplicates Z: 47 78.339 2.510 1.176 0.779 0.957 0.674 CB 1.728 47 residues pruned to eliminate duplicates Z: 20 32.317 2.229 1.108 0.735 0.947 0.526 CB 1.348 20 residues pruned to eliminate duplicates Z: 83 98.347 2.516 1.083 0.715 0.963 0.646 CB 1.771 126 residues pruned to eliminate duplicates Z: 35 65.596 2.506 1.021 0.799 0.971 0.676 CB 1.761 Z: 26 80.762 2.575 1.352 0.933 0.960 0.840 CA 1.939 16 residues pruned to eliminate duplicates Z: 27 58.530 2.483 0.982 0.873 0.923 0.769 CA 1.840 27 residues pruned to eliminate duplicates Z: 49 79.208 2.441 1.164 0.779 0.958 0.625 CB 1.766 46 residues pruned to eliminate duplicates Z: 26 72.306 2.540 1.187 0.917 0.960 0.760 CA 1.914 26 residues pruned to eliminate duplicates Z: 46 83.165 2.493 1.130 0.800 1.000 0.622 CB 1.795 49 residues pruned to eliminate duplicates Z: 25 80.488 2.573 1.251 0.933 1.000 0.792 CA 1.980 25 residues pruned to eliminate duplicates Z: 215 175.132 2.570 1.220 0.728 0.967 0.551 CB 1.767 260 residues pruned to eliminate duplicates Z: 48 74.383 2.423 1.233 0.761 0.957 0.681 CB 1.661 Z: 26 70.226 2.519 1.226 0.889 0.960 0.640 CB 1.879 26 residues pruned to eliminate duplicates Z: 231 178.197 2.537 1.198 0.717 0.987 0.600 CB 1.755 279 residues pruned to eliminate duplicates Z: 46 83.356 2.501 1.300 0.796 0.978 0.689 CB 1.704 Z: 20 71.755 2.610 1.509 0.932 0.895 0.632 CB 1.962 20 residues pruned to eliminate duplicates Z: 26 82.922 2.555 1.402 0.946 0.960 0.440 CB 1.946 26 residues pruned to eliminate duplicates Z: 48 77.757 2.453 1.244 0.790 0.979 0.574 CB 1.632 48 residues pruned to eliminate duplicates Z: 48 81.670 2.441 1.299 0.787 0.979 0.596 CB 1.684 49 residues pruned to eliminate duplicates Z: 24 95.816 2.663 1.569 0.944 1.000 0.652 CB 2.023 24 residues pruned to eliminate duplicates Z: 26 82.588 2.553 1.345 0.920 1.000 0.400 CA 1.943 26 residues pruned to eliminate duplicates Z: 51 79.932 2.380 1.237 0.773 0.980 0.580 CB 1.702 51 residues pruned to eliminate duplicates Z: 46 86.309 2.513 1.292 0.800 0.956 0.511 CB 1.798 46 residues pruned to eliminate duplicates Z: 48 83.549 2.427 1.354 0.788 0.979 0.553 CB 1.693 48 residues pruned to eliminate duplicates Z: 174 159.826 2.538 1.288 0.746 0.960 0.659 CB 1.751 219 residues pruned to eliminate duplicates Z: 48 88.985 2.459 1.306 0.801 1.000 0.596 CB 1.759 Z: 27 85.110 2.506 1.502 0.868 1.000 0.615 CA 1.946 27 residues pruned to eliminate duplicates Z: 47 83.716 2.450 1.311 0.802 0.957 0.630 CB 1.750 47 residues pruned to eliminate duplicates 452 residues left after pruning, divided into chains as follows: A: 226 B: 180 C: 46 CC for partial structure against native data = 46.17 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.813, Connect. = 0.769 for dens.mod. cycle 1 = 0.300, Contrast = 0.938, Connect. = 0.800 for dens.mod. cycle 2 = 0.300, Contrast = 1.148, Connect. = 0.824 for dens.mod. cycle 3 = 0.300, Contrast = 1.198, Connect. = 0.827 for dens.mod. cycle 4 = 0.300, Contrast = 1.237, Connect. = 0.829 for dens.mod. cycle 5 = 0.300, Contrast = 1.256, Connect. = 0.831 for dens.mod. cycle 6 = 0.300, Contrast = 1.272, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.281, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.288, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.291, Connect. = 0.834 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.22 - 3.32 - 2.89 - 2.62 - 2.43 - 2.28 - 2.17 - 2.07 - 1.98 - 1.89 0.805 0.834 0.808 0.806 0.811 0.799 0.783 0.748 0.705 0.681 0.925 0.954 0.921 0.912 0.913 0.909 0.894 0.865 0.832 0.806 N 7505 7564 7542 7530 7452 7771 7122 7703 7238 7277 Estimated mean FOM = 0.779 Pseudo-free CC = 79.73 % Best trace (cycle 3 with CC 46.74%) was saved as ./2a2m-1.9-parrot-mrncs/2a2m-1.9-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 51.0 - Setup, data input and phasing 221.6 - FFTs and peak-searches 58.2 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 950.5 - Tripeptide search 20664.4 - Chain tracing 0.0 - NCS analysis 154.5 - B-value refinement for trace 4.6 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:23:18 Total time: 22106.15 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 370.13 Used memory is bytes: 17213208