++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:37:17 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: ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.ins Phases from ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.phi Native data from ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.hkl Listing output to ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.lst Phases output to ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.phs Poly-Ala trace output to ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 41 21 2 Allowed origin shift code: 9 72462 Reflections read from file ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.phi 72462 Reflections read from file ./2fg0-1.8-parrot-noncs/2fg0-1.8-parrot-noncs.hkl 72462 Unique data, highest resolution = 1.792 Angstroms Anisotropic scaling: intensities multiplied by 0.000012h^2 +0.000012k^2 -0.000020l^2 +0.000000kl +0.000000hl +0.000000hk 70 Reflections with d > 1.992 and 0 in range 1.992 > d > 1.792 added Density sharpening factor set to 1.06 Fourier grid = 256 x 256 x 21 0.000 <= z <= 0.125 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.644 ** -f missing ?? ** = 0.278, Contrast = 0.164, Connect. = 0.567 for dens.mod. cycle 1 = 0.300, Contrast = 0.436, Connect. = 0.638 for dens.mod. cycle 2 = 0.300, Contrast = 0.775, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.978, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 1.086, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 1.139, Connect. = 0.819 for dens.mod. cycle 6 = 0.300, Contrast = 1.168, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 1.182, Connect. = 0.829 for dens.mod. cycle 8 = 0.300, Contrast = 1.190, Connect. = 0.831 for dens.mod. cycle 9 = 0.300, Contrast = 1.194, Connect. = 0.832 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2636 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 586 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 77 50.336 2.333 0.968 0.434 0.908 0.487 CB 1.484 B: 23 59.844 2.575 0.935 0.908 1.000 0.909 CA 1.818 C: 24 69.819 2.527 1.175 0.915 1.000 0.739 CA 1.871 23 residues pruned to eliminate duplicates D: 23 51.842 2.505 0.728 0.924 1.000 0.955 CA 1.793 E: 24 58.367 2.512 0.888 0.917 1.000 0.913 CA 1.811 24 residues pruned to eliminate duplicates F: 24 71.078 2.518 1.208 0.918 1.000 0.783 CA 1.881 24 residues pruned to eliminate duplicates G: 41 38.326 2.414 1.122 0.368 0.875 0.550 CB 1.557 47 residues pruned to eliminate duplicates H: 14 43.087 2.423 1.412 0.841 0.923 0.692 CB 1.652 14 residues pruned to eliminate duplicates I: 24 62.632 2.456 1.156 0.876 1.000 0.696 CA 1.792 24 residues pruned to eliminate duplicates J: 24 60.292 2.517 0.915 0.916 1.000 0.957 CA 1.842 24 residues pruned to eliminate duplicates K: 23 69.941 2.543 1.243 0.893 1.000 0.909 CA 1.878 23 residues pruned to eliminate duplicates L: 81 53.807 2.431 1.028 0.436 0.863 0.550 CB 1.512 78 residues pruned to eliminate duplicates M: 23 70.519 2.556 1.168 0.921 1.000 0.773 CA 1.909 24 residues pruned to eliminate duplicates N: 14 42.753 2.453 1.294 0.868 1.000 0.769 CA 1.541 O: 15 51.612 2.444 1.317 0.879 1.000 0.714 CA 1.766 15 residues pruned to eliminate duplicates P: 15 38.825 2.486 1.259 0.816 1.000 0.571 CB 1.405 15 residues pruned to eliminate duplicates Q: 13 44.807 2.523 1.384 0.897 0.917 0.833 CA 1.679 13 residues pruned to eliminate duplicates R: 24 49.078 2.397 0.710 0.932 1.000 0.913 CA 1.743 24 residues pruned to eliminate duplicates S: 83 56.356 2.475 1.015 0.429 0.854 0.573 CB 1.574 76 residues pruned to eliminate duplicates T: 23 66.799 2.561 1.122 0.923 1.000 0.818 CA 1.841 23 residues pruned to eliminate duplicates U: 22 78.346 2.572 1.352 0.899 1.000 0.667 CA 2.020 22 residues pruned to eliminate duplicates V: 23 53.921 2.560 0.710 0.912 1.000 0.773 CA 1.859 23 residues pruned to eliminate duplicates W: 24 57.669 2.487 0.898 0.923 1.000 0.783 CA 1.791 23 residues pruned to eliminate duplicates X: 14 42.229 2.407 1.343 0.830 0.923 0.692 CB 1.691 14 residues pruned to eliminate duplicates Y: 14 40.502 2.499 1.191 0.825 0.923 0.846 CB 1.677 13 residues pruned to eliminate duplicates Z: 14 44.620 2.538 1.430 0.837 0.923 0.769 CB 1.626 14 residues pruned to eliminate duplicates Z: 17 41.810 2.457 0.801 0.912 1.000 0.875 CA 1.672 17 residues pruned to eliminate duplicates Z: 15 40.485 2.353 1.311 0.815 0.929 0.857 CA 1.629 15 residues pruned to eliminate duplicates Z: 24 60.838 2.489 0.990 0.908 1.000 0.652 CA 1.819 24 residues pruned to eliminate duplicates Z: 20 22.406 2.313 0.722 0.428 0.947 0.684 CB 1.467 Z: 24 71.418 2.497 1.296 0.900 1.000 0.652 CA 1.856 24 residues pruned to eliminate duplicates Z: 107 82.154 2.396 1.147 0.483 0.953 0.632 CB 1.656 28 residues pruned to eliminate duplicates Z: 26 28.159 2.246 0.903 0.355 0.880 0.560 CB 1.751 26 residues pruned to eliminate duplicates Z: 27 40.601 2.408 1.324 0.357 0.962 0.654 CB 1.726 27 residues pruned to eliminate duplicates Z: 57 49.360 2.459 0.980 0.453 0.875 0.589 CB 1.625 57 residues pruned to eliminate duplicates Z: 39 50.923 2.429 1.348 0.398 0.947 0.553 CB 1.703 Z: 105 84.196 2.356 1.199 0.519 0.952 0.663 CB 1.644 105 residues pruned to eliminate duplicates Z: 23 64.794 2.566 1.046 0.910 1.000 0.818 CA 1.866 23 residues pruned to eliminate duplicates Z: 24 60.844 2.498 1.027 0.897 1.000 0.870 CA 1.794 24 residues pruned to eliminate duplicates Z: 56 51.932 2.452 1.056 0.482 0.873 0.545 CB 1.621 56 residues pruned to eliminate duplicates Z: 110 84.331 2.412 1.069 0.511 0.927 0.642 CB 1.728 108 residues pruned to eliminate duplicates Z: 83 71.587 2.402 1.056 0.545 0.915 0.659 CB 1.674 47 residues pruned to eliminate duplicates Z: 13 14.376 2.338 1.006 0.294 0.833 0.583 CB 1.337 13 residues pruned to eliminate duplicates Z: 23 70.172 2.575 1.308 0.921 0.955 0.773 CB 1.856 23 residues pruned to eliminate duplicates Z: 108 67.377 2.404 1.142 0.467 0.897 0.561 CB 1.458 75 residues pruned to eliminate duplicates Z: 119 98.253 2.463 1.125 0.571 0.949 0.720 CB 1.700 95 residues pruned to eliminate duplicates Z: 10 20.995 2.391 0.685 0.859 0.889 0.778 CB 1.437 10 residues pruned to eliminate duplicates Z: 14 18.064 2.038 0.958 0.365 0.846 0.462 CA 1.716 14 residues pruned to eliminate duplicates Z: 16 34.148 2.353 0.957 0.898 0.933 0.733 CB 1.468 16 residues pruned to eliminate duplicates Z: 16 40.778 2.216 1.326 0.908 1.000 0.933 CB 1.451 16 residues pruned to eliminate duplicates Z: 17 28.118 2.196 0.770 0.880 0.938 0.750 CB 1.397 17 residues pruned to eliminate duplicates Z: 23 57.551 2.560 0.813 0.939 1.000 0.682 CB 1.838 23 residues pruned to eliminate duplicates Z: 14 53.087 2.607 1.267 0.875 1.000 0.846 CA 1.812 14 residues pruned to eliminate duplicates Z: 23 20.471 2.122 1.025 0.339 0.818 0.545 CB 1.480 Z: 13 13.854 2.001 1.045 0.400 0.833 0.417 CB 1.304 13 residues pruned to eliminate duplicates Z: 50 53.206 2.398 1.181 0.392 0.939 0.633 CB 1.735 49 residues pruned to eliminate duplicates Z: 7 6.158 1.764 0.943 0.263 0.667 0.333 O 1.442 Z: 15 35.458 2.344 1.184 0.815 0.929 0.714 CA 1.516 15 residues pruned to eliminate duplicates Z: 12 19.253 2.089 0.960 0.828 1.000 0.727 CB 1.068 12 residues pruned to eliminate duplicates Z: 108 94.635 2.478 1.252 0.527 0.925 0.701 CB 1.725 109 residues pruned to eliminate duplicates Z: 24 65.727 2.490 1.199 0.943 0.957 0.783 CB 1.813 24 residues pruned to eliminate duplicates Z: 46 34.236 2.274 0.938 0.380 0.889 0.578 CB 1.480 44 residues pruned to eliminate duplicates Z: 98 90.835 2.437 1.112 0.557 0.969 0.680 CB 1.750 99 residues pruned to eliminate duplicates Z: 12 38.837 2.302 1.338 0.831 1.000 0.818 CB 1.634 12 residues pruned to eliminate duplicates Z: 53 41.971 2.338 1.124 0.420 0.904 0.538 CB 1.409 53 residues pruned to eliminate duplicates Z: 16 35.177 2.320 1.109 0.901 1.000 0.600 CB 1.325 16 residues pruned to eliminate duplicates Z: 24 59.883 2.483 0.978 0.928 1.000 0.870 CA 1.780 24 residues pruned to eliminate duplicates Z: 24 61.548 2.466 0.993 0.911 1.000 0.783 CB 1.850 24 residues pruned to eliminate duplicates Z: 24 60.031 2.457 1.127 0.934 0.957 0.652 CB 1.746 24 residues pruned to eliminate duplicates Z: 76 49.409 2.348 0.973 0.467 0.880 0.520 CB 1.448 76 residues pruned to eliminate duplicates Z: 49 44.906 2.382 1.031 0.372 0.896 0.562 CB 1.714 49 residues pruned to eliminate duplicates Z: 24 53.808 2.467 0.902 0.911 0.957 0.783 CA 1.772 24 residues pruned to eliminate duplicates Z: 13 31.201 2.187 1.142 0.837 1.000 0.750 CB 1.438 13 residues pruned to eliminate duplicates Z: 29 22.918 2.129 1.042 0.334 0.893 0.536 CB 1.339 25 residues pruned to eliminate duplicates Z: 35 33.113 2.342 1.136 0.473 0.853 0.559 CB 1.368 35 residues pruned to eliminate duplicates Z: 71 47.329 2.358 1.278 0.410 0.829 0.543 CB 1.397 71 residues pruned to eliminate duplicates Z: 109 85.529 2.404 1.115 0.519 0.926 0.648 CB 1.716 109 residues pruned to eliminate duplicates Z: 108 92.726 2.439 1.225 0.523 0.944 0.579 CB 1.710 108 residues pruned to eliminate duplicates Z: 14 43.703 2.570 1.001 0.917 1.000 0.538 CB 1.664 14 residues pruned to eliminate duplicates Z: 23 64.917 2.548 1.021 0.902 1.000 0.682 CA 1.917 23 residues pruned to eliminate duplicates Z: 24 65.529 2.499 1.104 0.924 1.000 0.739 CB 1.825 24 residues pruned to eliminate duplicates Z: 24 53.791 2.473 1.062 0.889 0.913 0.739 CB 1.734 24 residues pruned to eliminate duplicates Z: 23 66.481 2.547 1.298 0.928 0.955 0.636 CB 1.777 23 residues pruned to eliminate duplicates Z: 82 78.321 2.418 1.207 0.547 0.926 0.679 CB 1.681 82 residues pruned to eliminate duplicates Z: 8 10.789 2.194 0.424 0.763 0.857 0.714 CB 1.206 8 residues pruned to eliminate duplicates Z: 108 92.717 2.433 1.221 0.542 0.944 0.692 CB 1.687 108 residues pruned to eliminate duplicates Z: 109 87.240 2.414 1.193 0.515 0.926 0.676 CB 1.688 109 residues pruned to eliminate duplicates Z: 24 60.440 2.484 0.995 0.920 1.000 0.957 CA 1.791 24 residues pruned to eliminate duplicates Z: 107 87.122 2.440 1.103 0.516 0.934 0.698 CB 1.738 107 residues pruned to eliminate duplicates Z: 10 15.487 2.135 0.633 0.882 0.889 0.889 CB 1.205 10 residues pruned to eliminate duplicates Z: 41 46.789 2.383 1.293 0.396 0.900 0.550 CB 1.678 41 residues pruned to eliminate duplicates Z: 20 26.755 2.361 0.787 0.499 0.947 0.737 CB 1.537 20 residues pruned to eliminate duplicates Z: 108 94.929 2.463 1.283 0.519 0.935 0.682 CB 1.713 108 residues pruned to eliminate duplicates Z: 22 61.789 2.550 1.050 0.906 1.000 0.810 CA 1.833 22 residues pruned to eliminate duplicates Z: 23 66.778 2.585 1.250 0.842 1.000 0.818 CB 1.824 23 residues pruned to eliminate duplicates Z: 50 55.637 2.376 1.365 0.398 0.918 0.612 CB 1.714 50 residues pruned to eliminate duplicates Z: 108 88.062 2.428 1.155 0.524 0.916 0.682 CB 1.735 108 residues pruned to eliminate duplicates Z: 10 17.173 2.298 1.022 0.781 0.889 0.556 CB 1.082 10 residues pruned to eliminate duplicates Z: 40 44.944 2.352 1.270 0.381 0.923 0.590 CB 1.657 40 residues pruned to eliminate duplicates Z: 110 89.276 2.423 1.151 0.511 0.936 0.615 CB 1.734 110 residues pruned to eliminate duplicates Z: 64 41.733 2.288 1.120 0.436 0.873 0.476 CB 1.327 62 residues pruned to eliminate duplicates Z: 37 58.186 2.486 1.347 0.431 0.972 0.611 CB 1.836 38 residues pruned to eliminate duplicates Z: 19 19.622 2.177 1.050 0.360 0.833 0.556 CB 1.446 19 residues pruned to eliminate duplicates Z: 38 48.357 2.453 1.259 0.381 0.946 0.486 CB 1.721 38 residues pruned to eliminate duplicates Z: 92 72.786 2.385 1.134 0.528 0.901 0.593 CB 1.618 92 residues pruned to eliminate duplicates Z: 22 25.762 2.091 1.021 0.400 0.952 0.571 CB 1.552 22 residues pruned to eliminate duplicates Z: 106 92.250 2.424 1.171 0.533 0.962 0.714 CB 1.721 105 residues pruned to eliminate duplicates Z: 25 40.841 2.463 1.155 0.519 0.917 0.667 CB 1.681 32 residues pruned to eliminate duplicates Z: 80 86.962 2.450 1.163 0.582 0.975 0.722 CB 1.750 80 residues pruned to eliminate duplicates Z: 70 80.595 2.491 1.113 0.594 0.957 0.739 CB 1.761 70 residues pruned to eliminate duplicates Z: 49 42.266 2.361 1.279 0.446 0.833 0.562 CB 1.438 49 residues pruned to eliminate duplicates Z: 82 81.314 2.411 1.218 0.568 0.938 0.654 CB 1.687 82 residues pruned to eliminate duplicates Z: 22 20.546 2.201 0.794 0.574 0.810 0.762 CB 1.306 22 residues pruned to eliminate duplicates Z: 40 47.126 2.418 1.156 0.388 0.949 0.564 CB 1.719 40 residues pruned to eliminate duplicates Z: 6 8.196 2.139 1.210 0.287 0.600 0.400 CB 1.642 6 residues pruned to eliminate duplicates Z: 84 84.693 2.418 1.241 0.550 0.940 0.627 CB 1.739 84 residues pruned to eliminate duplicates Z: 10 18.784 2.125 0.786 0.843 1.000 0.667 CB 1.228 10 residues pruned to eliminate duplicates Z: 24 51.354 2.478 0.761 0.930 0.957 0.870 CA 1.793 24 residues pruned to eliminate duplicates Z: 9 29.707 2.484 0.887 0.888 1.000 0.625 CB 1.614 9 residues pruned to eliminate duplicates Z: 61 45.203 2.451 1.076 0.407 0.833 0.583 CB 1.518 61 residues pruned to eliminate duplicates Z: 18 38.659 2.371 1.332 0.639 0.941 0.588 CB 1.583 18 residues pruned to eliminate duplicates Z: 16 37.948 2.270 1.160 0.859 1.000 0.600 CA 1.470 16 residues pruned to eliminate duplicates Z: 59 46.867 2.383 1.245 0.444 0.897 0.569 CB 1.359 59 residues pruned to eliminate duplicates Z: 150 108.304 2.463 1.189 0.531 0.940 0.711 CB 1.699 150 residues pruned to eliminate duplicates Z: 12 33.069 2.276 1.203 0.818 0.909 0.636 CA 1.660 12 residues pruned to eliminate duplicates Z: 69 78.186 2.473 1.158 0.597 0.941 0.721 CB 1.720 69 residues pruned to eliminate duplicates Z: 44 26.118 2.260 1.058 0.271 0.791 0.419 CB 1.405 29 residues pruned to eliminate duplicates Z: 48 50.845 2.437 1.122 0.563 0.894 0.638 CB 1.510 48 residues pruned to eliminate duplicates Z: 37 28.655 2.137 0.901 0.462 0.917 0.556 CB 1.333 Z: 13 18.682 1.953 0.614 0.843 1.000 0.833 CB 1.275 13 residues pruned to eliminate duplicates Z: 24 52.215 2.520 0.792 0.874 0.957 0.826 CB 1.834 24 residues pruned to eliminate duplicates Z: 24 61.668 2.460 1.011 0.912 1.000 0.652 CA 1.840 24 residues pruned to eliminate duplicates Z: 12 38.046 2.301 1.244 0.843 1.000 0.818 CB 1.655 12 residues pruned to eliminate duplicates Z: 13 26.595 2.121 1.006 0.759 1.000 0.583 CA 1.433 13 residues pruned to eliminate duplicates Z: 24 60.886 2.511 1.280 0.866 0.913 0.739 CA 1.777 24 residues pruned to eliminate duplicates Z: 109 88.385 2.404 1.122 0.534 0.935 0.667 CB 1.724 109 residues pruned to eliminate duplicates Z: 6 13.705 2.106 0.557 0.788 1.000 0.800 CA 1.452 6 residues pruned to eliminate duplicates Z: 78 55.437 2.449 1.119 0.454 0.831 0.584 CB 1.536 78 residues pruned to eliminate duplicates Z: 23 65.941 2.565 1.125 0.910 1.000 0.818 CA 1.830 23 residues pruned to eliminate duplicates Z: 33 72.043 2.513 1.127 0.773 0.969 0.750 CB 1.932 33 residues pruned to eliminate duplicates Z: 67 80.704 2.449 1.143 0.616 0.970 0.697 CB 1.748 67 residues pruned to eliminate duplicates Z: 105 89.085 2.439 1.137 0.536 0.962 0.712 CB 1.683 105 residues pruned to eliminate duplicates Z: 13 27.079 2.223 1.063 0.793 0.833 0.750 CA 1.582 13 residues pruned to eliminate duplicates Z: 106 79.938 2.413 1.129 0.503 0.895 0.667 CB 1.692 106 residues pruned to eliminate duplicates Z: 107 95.087 2.481 1.219 0.529 0.943 0.651 CB 1.727 107 residues pruned to eliminate duplicates Z: 63 77.847 2.471 1.170 0.620 0.935 0.726 CB 1.759 63 residues pruned to eliminate duplicates Z: 9 14.732 2.135 0.495 0.777 1.000 0.875 CB 1.278 9 residues pruned to eliminate duplicates Z: 98 94.028 2.456 1.248 0.543 0.938 0.722 CB 1.767 98 residues pruned to eliminate duplicates Z: 83 80.457 2.398 1.134 0.555 0.951 0.659 CB 1.730 83 residues pruned to eliminate duplicates Z: 10 15.457 2.166 0.571 0.789 0.889 0.889 CB 1.321 10 residues pruned to eliminate duplicates Z: 13 5.010 1.866 0.700 0.159 0.750 0.500 CB 0.923 13 residues pruned to eliminate duplicates Z: 24 50.165 2.425 0.803 0.926 1.000 0.739 CA 1.678 24 residues pruned to eliminate duplicates Z: 12 32.546 2.250 1.178 0.769 1.000 0.636 CB 1.578 12 residues pruned to eliminate duplicates Z: 20 19.799 2.237 1.073 0.375 0.842 0.526 CB 1.329 20 residues pruned to eliminate duplicates Z: 107 83.481 2.435 1.095 0.502 0.934 0.613 CB 1.698 107 residues pruned to eliminate duplicates Z: 21 52.608 2.607 1.486 0.653 0.950 0.700 CB 1.657 21 residues pruned to eliminate duplicates Z: 105 82.996 2.411 1.086 0.512 0.942 0.625 CB 1.698 105 residues pruned to eliminate duplicates Z: 56 55.334 2.477 1.136 0.532 0.855 0.655 CB 1.599 56 residues pruned to eliminate duplicates Z: 24 62.141 2.517 1.065 0.928 0.957 0.696 CA 1.825 24 residues pruned to eliminate duplicates Z: 36 33.176 2.409 0.815 0.435 0.857 0.629 CB 1.600 36 residues pruned to eliminate duplicates Z: 23 49.560 2.515 0.689 0.915 1.000 0.864 CA 1.758 23 residues pruned to eliminate duplicates Z: 9 21.999 2.331 1.099 0.538 1.000 0.625 CB 1.531 9 residues pruned to eliminate duplicates Z: 75 71.288 2.388 1.161 0.530 0.905 0.622 CB 1.723 75 residues pruned to eliminate duplicates Z: 58 44.648 2.312 0.987 0.501 0.842 0.544 CB 1.527 58 residues pruned to eliminate duplicates Z: 11 14.155 2.346 0.418 0.467 0.800 0.600 CB 1.740 11 residues pruned to eliminate duplicates Z: 11 24.186 2.076 0.844 0.847 1.000 0.800 CB 1.483 11 residues pruned to eliminate duplicates Z: 14 16.711 2.111 1.026 0.408 0.846 0.692 CB 1.410 14 residues pruned to eliminate duplicates Z: 58 44.812 2.429 1.091 0.367 0.860 0.526 CB 1.568 58 residues pruned to eliminate duplicates Z: 24 68.269 2.482 1.216 0.928 1.000 0.652 CA 1.813 24 residues pruned to eliminate duplicates Z: 23 72.932 2.591 1.161 0.922 1.000 0.591 CA 1.953 23 residues pruned to eliminate duplicates Z: 13 15.789 1.953 0.666 0.788 0.917 0.750 CB 1.187 13 residues pruned to eliminate duplicates Z: 71 75.049 2.450 1.072 0.589 0.929 0.700 CB 1.747 71 residues pruned to eliminate duplicates Z: 24 52.891 2.485 0.801 0.919 1.000 0.783 CA 1.737 24 residues pruned to eliminate duplicates Z: 7 8.893 1.890 0.657 0.660 0.833 0.333 CB 1.199 7 residues pruned to eliminate duplicates Z: 23 74.194 2.589 1.265 0.926 1.000 0.545 CB 1.892 23 residues pruned to eliminate duplicates Z: 73 82.236 2.442 1.240 0.580 0.944 0.653 CB 1.737 73 residues pruned to eliminate duplicates Z: 27 33.959 2.518 0.742 0.530 0.885 0.731 CB 1.667 27 residues pruned to eliminate duplicates Z: 10 15.755 2.030 0.600 0.903 1.000 0.889 CB 1.152 10 residues pruned to eliminate duplicates Z: 79 65.315 2.345 1.004 0.515 0.936 0.577 CB 1.656 79 residues pruned to eliminate duplicates Z: 41 50.321 2.425 1.147 0.573 0.875 0.675 CB 1.628 41 residues pruned to eliminate duplicates Z: 69 75.330 2.471 1.022 0.578 0.956 0.779 CB 1.774 69 residues pruned to eliminate duplicates Z: 25 33.193 2.422 1.210 0.560 0.875 0.542 CB 1.364 25 residues pruned to eliminate duplicates Z: 110 87.379 2.407 1.218 0.498 0.917 0.633 CB 1.712 110 residues pruned to eliminate duplicates Z: 61 80.722 2.472 1.105 0.632 0.967 0.733 CB 1.830 61 residues pruned to eliminate duplicates Z: 15 36.011 2.398 1.221 0.914 1.000 0.857 CB 1.278 15 residues pruned to eliminate duplicates Z: 108 98.438 2.476 1.239 0.526 0.953 0.729 CB 1.756 107 residues pruned to eliminate duplicates Z: 108 87.884 2.438 1.117 0.523 0.944 0.626 CB 1.704 108 residues pruned to eliminate duplicates Z: 47 33.806 2.356 0.890 0.367 0.848 0.543 CB 1.522 47 residues pruned to eliminate duplicates Z: 109 92.556 2.449 1.202 0.514 0.944 0.667 CB 1.725 109 residues pruned to eliminate duplicates Z: 63 73.914 2.443 1.135 0.596 0.952 0.758 CB 1.726 63 residues pruned to eliminate duplicates Z: 38 51.895 2.405 1.368 0.408 0.946 0.622 CB 1.744 38 residues pruned to eliminate duplicates Z: 67 69.580 2.397 1.167 0.562 0.924 0.682 CB 1.680 67 residues pruned to eliminate duplicates Z: 71 82.726 2.429 1.222 0.587 0.943 0.686 CB 1.788 71 residues pruned to eliminate duplicates Z: 13 16.347 1.893 0.742 0.806 0.917 0.833 CB 1.196 13 residues pruned to eliminate duplicates Z: 7 11.776 2.019 0.590 0.654 1.000 0.667 CB 1.298 7 residues pruned to eliminate duplicates Z: 27 26.612 2.112 0.933 0.508 0.885 0.692 CB 1.434 26 residues pruned to eliminate duplicates Z: 40 44.252 2.390 1.158 0.397 0.897 0.538 CB 1.708 39 residues pruned to eliminate duplicates Z: 82 76.269 2.412 1.067 0.572 0.951 0.679 CB 1.668 82 residues pruned to eliminate duplicates Z: 110 96.026 2.453 1.265 0.512 0.936 0.661 CB 1.747 110 residues pruned to eliminate duplicates Z: 12 18.380 1.905 0.593 0.798 1.000 0.545 CB 1.407 12 residues pruned to eliminate duplicates Z: 104 94.036 2.455 1.217 0.528 0.942 0.612 CB 1.758 104 residues pruned to eliminate duplicates Z: 39 30.020 2.137 1.066 0.417 0.921 0.447 CB 1.307 57 residues pruned to eliminate duplicates Z: 109 84.349 2.424 1.132 0.524 0.907 0.704 CB 1.690 109 residues pruned to eliminate duplicates Z: 19 19.800 2.276 1.278 0.346 0.833 0.500 CB 1.276 19 residues pruned to eliminate duplicates Z: 7 4.488 1.969 0.102 0.439 0.833 0.500 CB 1.078 7 residues pruned to eliminate duplicates Z: 12 24.132 1.946 0.895 0.851 1.000 0.818 CA 1.460 12 residues pruned to eliminate duplicates Z: 88 61.785 2.481 1.130 0.437 0.885 0.586 CB 1.512 88 residues pruned to eliminate duplicates Z: 109 90.541 2.409 1.144 0.533 0.944 0.611 CB 1.729 109 residues pruned to eliminate duplicates Z: 40 42.393 2.316 1.358 0.397 0.846 0.667 CB 1.638 40 residues pruned to eliminate duplicates Z: 13 8.368 1.949 0.651 0.304 0.833 0.417 CB 1.120 13 residues pruned to eliminate duplicates Z: 48 38.499 2.251 1.009 0.386 0.872 0.617 CB 1.607 48 residues pruned to eliminate duplicates Z: 17 29.893 2.159 0.620 0.875 1.000 0.875 CB 1.554 17 residues pruned to eliminate duplicates Z: 48 53.243 2.389 1.207 0.419 0.936 0.617 CB 1.711 50 residues pruned to eliminate duplicates Z: 69 82.005 2.475 1.144 0.603 0.941 0.721 CB 1.805 69 residues pruned to eliminate duplicates Z: 33 28.402 2.278 0.894 0.486 0.844 0.625 CB 1.398 33 residues pruned to eliminate duplicates Z: 108 89.930 2.409 1.104 0.532 0.963 0.682 CB 1.726 109 residues pruned to eliminate duplicates Z: 48 46.622 2.314 1.128 0.410 0.915 0.617 CB 1.660 48 residues pruned to eliminate duplicates Z: 72 78.505 2.429 1.169 0.572 0.930 0.690 CB 1.774 72 residues pruned to eliminate duplicates Z: 70 78.339 2.485 1.066 0.591 0.957 0.638 CB 1.761 70 residues pruned to eliminate duplicates Z: 49 53.680 2.391 1.256 0.422 0.917 0.646 CB 1.699 49 residues pruned to eliminate duplicates Z: 13 16.259 2.198 0.919 0.545 0.833 0.667 CB 1.278 15 residues pruned to eliminate duplicates Z: 67 58.379 2.339 1.101 0.455 0.924 0.636 CB 1.657 67 residues pruned to eliminate duplicates Z: 16 35.841 2.345 1.128 0.922 1.000 0.933 CB 1.304 16 residues pruned to eliminate duplicates Z: 9 17.900 2.308 0.826 0.888 0.875 0.875 CB 1.237 9 residues pruned to eliminate duplicates Z: 70 56.739 2.368 1.170 0.482 0.913 0.609 CB 1.483 70 residues pruned to eliminate duplicates Z: 66 54.630 2.457 1.029 0.479 0.892 0.631 CB 1.556 66 residues pruned to eliminate duplicates Z: 11 5.314 1.914 0.498 0.335 0.700 0.400 CB 1.002 11 residues pruned to eliminate duplicates Z: 22 35.023 2.341 1.243 0.436 0.905 0.524 CB 1.720 22 residues pruned to eliminate duplicates Z: 11 15.277 2.172 0.799 0.418 0.900 0.500 CB 1.497 11 residues pruned to eliminate duplicates Z: 27 31.940 2.312 1.296 0.501 0.885 0.538 CB 1.333 27 residues pruned to eliminate duplicates Z: 24 35.682 2.306 1.308 0.411 0.957 0.652 CB 1.604 24 residues pruned to eliminate duplicates Z: 48 46.925 2.325 1.148 0.397 0.894 0.617 CB 1.710 48 residues pruned to eliminate duplicates Z: 22 33.313 2.376 1.009 0.525 0.905 0.619 CB 1.642 22 residues pruned to eliminate duplicates Z: 49 53.818 2.421 1.281 0.401 0.938 0.562 CB 1.665 49 residues pruned to eliminate duplicates Z: 6 4.820 1.875 0.203 0.592 0.800 0.400 CB 1.094 6 residues pruned to eliminate duplicates Z: 20 15.974 2.212 0.704 0.345 0.789 0.579 CB 1.457 20 residues pruned to eliminate duplicates Z: 13 21.760 1.977 0.884 0.871 1.000 0.917 CB 1.230 13 residues pruned to eliminate duplicates Z: 70 78.112 2.444 1.175 0.599 0.942 0.739 CB 1.708 70 residues pruned to eliminate duplicates Z: 9 16.221 1.843 0.615 0.800 1.000 0.625 CB 1.483 9 residues pruned to eliminate duplicates Z: 17 34.085 2.381 1.412 0.417 0.938 0.562 CB 1.726 17 residues pruned to eliminate duplicates Z: 10 8.159 1.855 1.379 0.420 0.778 0.444 CB 0.861 10 residues pruned to eliminate duplicates Z: 25 28.165 2.388 1.054 0.473 0.833 0.583 CB 1.446 25 residues pruned to eliminate duplicates Z: 12 23.365 1.981 0.800 0.842 1.000 0.909 CB 1.472 12 residues pruned to eliminate duplicates Z: 16 23.165 2.252 1.172 0.471 0.867 0.733 CB 1.453 16 residues pruned to eliminate duplicates Z: 10 6.831 1.876 0.220 0.323 0.889 0.667 CB 1.359 10 residues pruned to eliminate duplicates Z: 50 51.859 2.395 1.156 0.520 0.898 0.571 CB 1.566 50 residues pruned to eliminate duplicates Z: 15 14.024 1.925 0.723 0.400 0.857 0.571 CA 1.465 15 residues pruned to eliminate duplicates Z: 12 15.223 2.114 0.803 0.440 0.818 0.636 CB 1.566 12 residues pruned to eliminate duplicates Z: 12 21.215 1.970 0.683 0.831 1.000 1.000 CB 1.449 12 residues pruned to eliminate duplicates Z: 6 20.518 2.256 1.450 0.743 0.800 0.400 CB 1.669 6 residues pruned to eliminate duplicates Z: 100 89.013 2.421 1.171 0.546 0.939 0.636 CB 1.733 100 residues pruned to eliminate duplicates Z: 73 54.698 2.362 1.193 0.456 0.903 0.597 CB 1.442 73 residues pruned to eliminate duplicates Z: 48 55.824 2.531 1.069 0.543 0.894 0.617 CB 1.667 48 residues pruned to eliminate duplicates Z: 40 36.859 2.303 1.243 0.384 0.846 0.641 CB 1.528 40 residues pruned to eliminate duplicates Z: 30 28.815 2.383 1.354 0.344 0.897 0.621 CB 1.260 30 residues pruned to eliminate duplicates Z: 12 20.456 1.931 0.995 0.750 0.909 0.545 CB 1.409 12 residues pruned to eliminate duplicates Z: 78 67.449 2.351 1.197 0.454 0.935 0.610 CB 1.669 78 residues pruned to eliminate duplicates Z: 16 25.595 2.023 1.166 0.718 0.867 0.733 CA 1.428 16 residues pruned to eliminate duplicates Z: 63 80.605 2.431 1.171 0.643 0.984 0.710 CB 1.724 63 residues pruned to eliminate duplicates Z: 25 24.066 2.015 1.096 0.534 0.875 0.542 CB 1.286 25 residues pruned to eliminate duplicates Z: 12 20.691 2.133 0.983 0.773 0.818 0.636 CA 1.416 12 residues pruned to eliminate duplicates Z: 9 16.067 1.860 0.514 0.842 1.000 0.750 CA 1.504 9 residues pruned to eliminate duplicates Z: 68 60.473 2.385 1.162 0.451 0.940 0.597 CB 1.603 68 residues pruned to eliminate duplicates Z: 11 24.015 2.098 0.731 0.813 1.000 0.900 CA 1.593 11 residues pruned to eliminate duplicates Z: 100 92.224 2.471 1.186 0.517 0.939 0.636 CB 1.796 100 residues pruned to eliminate duplicates Z: 9 11.738 2.068 1.239 0.406 0.875 0.500 CB 1.131 9 residues pruned to eliminate duplicates Z: 12 7.766 1.577 0.894 0.331 0.818 0.273 CA 1.153 Z: 21 18.975 2.328 0.751 0.266 0.800 0.350 CB 1.698 21 residues pruned to eliminate duplicates Z: 33 81.812 2.586 1.255 0.802 1.000 0.844 CB 1.905 33 residues pruned to eliminate duplicates Z: 9 15.158 2.003 0.305 0.871 1.000 0.750 CB 1.495 9 residues pruned to eliminate duplicates Z: 7 4.567 1.698 0.587 0.501 0.667 0.333 CA 1.037 6 residues pruned to eliminate duplicates Z: 15 26.640 2.308 1.337 0.476 0.857 0.643 CB 1.579 15 residues pruned to eliminate duplicates Z: 14 36.742 2.504 0.931 0.929 1.000 0.308 CB 1.475 14 residues pruned to eliminate duplicates Z: 50 57.685 2.526 1.086 0.535 0.939 0.694 CB 1.609 50 residues pruned to eliminate duplicates Z: 11 32.545 2.382 1.334 0.646 1.000 0.800 CA 1.615 11 residues pruned to eliminate duplicates Z: 22 34.071 2.343 1.294 0.388 0.952 0.667 CB 1.635 22 residues pruned to eliminate duplicates Z: 61 52.822 2.330 1.077 0.541 0.917 0.683 CB 1.477 61 residues pruned to eliminate duplicates Z: 13 19.822 2.178 0.699 0.588 1.000 0.667 CB 1.422 13 residues pruned to eliminate duplicates Z: 58 47.970 2.418 1.112 0.490 0.842 0.544 CB 1.492 58 residues pruned to eliminate duplicates Z: 22 30.907 2.392 1.335 0.425 0.905 0.667 CB 1.443 22 residues pruned to eliminate duplicates Z: 110 76.729 2.363 1.083 0.504 0.908 0.642 CB 1.637 110 residues pruned to eliminate duplicates Z: 20 26.591 2.239 1.326 0.335 0.895 0.579 CB 1.567 20 residues pruned to eliminate duplicates Z: 26 25.321 2.324 1.008 0.389 0.840 0.600 CB 1.454 26 residues pruned to eliminate duplicates Z: 14 14.835 2.120 0.849 0.408 0.923 0.615 CB 1.252 14 residues pruned to eliminate duplicates Z: 16 28.801 2.356 1.296 0.405 0.933 0.600 CB 1.628 16 residues pruned to eliminate duplicates Z: 35 26.161 2.256 0.839 0.451 0.824 0.588 CB 1.381 35 residues pruned to eliminate duplicates Z: 84 70.971 2.377 1.099 0.462 0.952 0.614 CB 1.705 84 residues pruned to eliminate duplicates Z: 24 50.327 2.417 0.804 0.908 1.000 0.826 CA 1.710 24 residues pruned to eliminate duplicates Z: 19 37.560 2.395 1.063 0.722 0.833 0.667 CB 1.760 19 residues pruned to eliminate duplicates Z: 11 8.792 1.637 0.563 0.713 0.700 0.400 CA 1.280 11 residues pruned to eliminate duplicates Z: 20 20.536 2.317 1.031 0.337 0.842 0.684 CB 1.421 20 residues pruned to eliminate duplicates Z: 6 18.776 2.250 1.630 0.649 0.800 0.800 CB 1.544 5 residues pruned to eliminate duplicates Z: 23 61.959 2.539 0.945 0.933 1.000 0.909 CA 1.867 23 residues pruned to eliminate duplicates Z: 25 44.797 2.525 1.350 0.605 0.875 0.625 CB 1.594 25 residues pruned to eliminate duplicates Z: 184 103.456 2.439 1.089 0.501 0.902 0.667 CB 1.664 184 residues pruned to eliminate duplicates Z: 50 46.490 2.348 1.127 0.396 0.878 0.592 CB 1.692 49 residues pruned to eliminate duplicates Z: 28 21.784 2.082 0.984 0.468 0.852 0.481 CB 1.231 28 residues pruned to eliminate duplicates Z: 17 22.866 2.288 1.254 0.415 0.812 0.500 CB 1.490 17 residues pruned to eliminate duplicates Z: 96 78.183 2.388 1.195 0.553 0.926 0.632 CB 1.569 37 residues pruned to eliminate duplicates Z: 25 30.300 2.227 1.210 0.540 0.875 0.583 CB 1.381 25 residues pruned to eliminate duplicates Z: 12 6.989 1.924 0.674 0.421 0.818 0.545 CB 0.869 12 residues pruned to eliminate duplicates Z: 110 87.224 2.411 1.167 0.506 0.945 0.633 CB 1.683 110 residues pruned to eliminate duplicates Z: 24 67.510 2.428 1.220 0.926 1.000 0.652 CB 1.831 24 residues pruned to eliminate duplicates Z: 52 37.665 2.291 1.207 0.460 0.824 0.510 CB 1.319 52 residues pruned to eliminate duplicates Z: 12 29.272 2.196 0.949 0.887 1.000 0.636 CB 1.486 12 residues pruned to eliminate duplicates Z: 22 64.573 2.526 1.016 0.890 1.000 0.714 CA 1.991 22 residues pruned to eliminate duplicates Z: 6 6.817 1.687 0.854 0.384 0.800 0.600 N 1.377 6 residues pruned to eliminate duplicates Z: 36 52.107 2.458 1.348 0.441 0.943 0.714 CB 1.721 36 residues pruned to eliminate duplicates Z: 9 14.985 1.919 0.653 0.707 1.000 0.375 CA 1.384 9 residues pruned to eliminate duplicates Z: 82 77.654 2.385 1.084 0.572 0.951 0.691 CB 1.703 82 residues pruned to eliminate duplicates Z: 50 43.509 2.392 1.003 0.514 0.837 0.673 CB 1.529 50 residues pruned to eliminate duplicates Z: 10 12.866 2.186 0.877 0.483 0.778 0.667 CA 1.367 10 residues pruned to eliminate duplicates Z: 110 87.183 2.400 1.114 0.511 0.945 0.661 CB 1.723 110 residues pruned to eliminate duplicates Z: 109 89.525 2.441 1.179 0.493 0.926 0.667 CB 1.761 109 residues pruned to eliminate duplicates Z: 29 37.708 2.324 0.888 0.545 0.964 0.643 CB 1.611 29 residues pruned to eliminate duplicates Z: 9 18.780 1.786 0.795 0.816 1.000 0.375 CB 1.573 9 residues pruned to eliminate duplicates Z: 106 81.138 2.428 1.093 0.482 0.924 0.629 CB 1.718 106 residues pruned to eliminate duplicates Z: 11 10.641 1.642 0.544 0.708 0.900 0.300 CA 1.220 11 residues pruned to eliminate duplicates Z: 6 6.036 1.776 0.386 0.528 0.800 0.600 CA 1.333 6 residues pruned to eliminate duplicates Z: 42 41.426 2.260 1.023 0.408 0.951 0.585 CB 1.638 42 residues pruned to eliminate duplicates Z: 35 44.722 2.434 1.082 0.592 0.941 0.618 CB 1.473 35 residues pruned to eliminate duplicates Z: 132 64.820 2.324 1.081 0.414 0.870 0.557 CB 1.472 132 residues pruned to eliminate duplicates Z: 7 5.336 1.643 0.880 0.503 0.833 0.500 N 0.844 Z: 6 4.891 1.756 0.526 0.297 0.800 0.600 O 1.280 Z: 28 47.761 2.522 1.343 0.541 0.926 0.667 CB 1.613 28 residues pruned to eliminate duplicates Z: 22 13.892 2.129 0.670 0.366 0.762 0.286 CB 1.291 22 residues pruned to eliminate duplicates Z: 6 5.367 1.742 0.458 0.728 0.800 0.600 CB 0.962 6 residues pruned to eliminate duplicates Z: 28 33.140 2.243 1.062 0.436 0.926 0.630 CB 1.591 28 residues pruned to eliminate duplicates Z: 9 11.867 1.797 0.512 0.775 0.875 0.375 CB 1.385 9 residues pruned to eliminate duplicates Z: 49 40.629 2.292 1.350 0.489 0.875 0.604 CB 1.258 49 residues pruned to eliminate duplicates Z: 6 4.351 1.739 0.083 0.753 0.800 0.600 CA 1.031 Z: 27 28.300 2.182 1.112 0.572 0.846 0.577 CB 1.328 27 residues pruned to eliminate duplicates Z: 6 6.562 1.673 0.387 0.792 0.800 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 10 10.695 1.697 0.383 0.827 0.889 0.333 CB 1.287 Z: 12 10.283 1.823 0.742 0.305 0.909 0.455 CB 1.334 22 residues pruned to eliminate duplicates Z: 40 46.680 2.370 1.262 0.419 0.949 0.615 CB 1.599 40 residues pruned to eliminate duplicates Z: 69 56.454 2.277 1.161 0.438 0.941 0.676 CB 1.576 69 residues pruned to eliminate duplicates Z: 66 70.611 2.447 1.107 0.584 0.938 0.738 CB 1.670 66 residues pruned to eliminate duplicates Z: 35 41.365 2.380 1.074 0.558 0.882 0.559 CB 1.539 35 residues pruned to eliminate duplicates Z: 40 20.866 2.069 0.896 0.423 0.795 0.462 CB 1.162 40 residues pruned to eliminate duplicates Z: 12 10.668 1.993 0.831 0.331 0.818 0.455 CA 1.297 12 residues pruned to eliminate duplicates Z: 17 44.741 2.420 1.049 0.850 0.938 0.688 CA 1.783 17 residues pruned to eliminate duplicates Z: 11 15.140 2.016 0.960 0.517 0.900 0.600 CB 1.325 11 residues pruned to eliminate duplicates Z: 42 40.170 2.233 1.006 0.415 0.902 0.585 CB 1.696 42 residues pruned to eliminate duplicates Z: 12 21.588 2.300 1.135 0.790 0.818 0.636 CB 1.256 12 residues pruned to eliminate duplicates Z: 23 31.079 2.195 1.197 0.544 0.909 0.500 CB 1.448 23 residues pruned to eliminate duplicates Z: 34 37.180 2.367 1.281 0.502 0.879 0.636 CB 1.362 34 residues pruned to eliminate duplicates Z: 40 40.450 2.287 1.108 0.476 0.872 0.590 CB 1.579 40 residues pruned to eliminate duplicates Z: 17 15.035 1.800 0.932 0.385 0.875 0.562 CB 1.396 17 residues pruned to eliminate duplicates Z: 65 32.654 2.209 0.988 0.300 0.828 0.422 CB 1.402 65 residues pruned to eliminate duplicates Z: 65 49.367 2.343 1.242 0.433 0.906 0.531 CB 1.389 65 residues pruned to eliminate duplicates Z: 10 10.431 1.740 0.495 0.740 0.889 0.333 CB 1.212 10 residues pruned to eliminate duplicates Z: 6 5.939 1.616 0.658 0.358 1.000 0.600 C 1.155 6 residues pruned to eliminate duplicates Z: 55 33.025 2.148 0.974 0.461 0.870 0.537 CB 1.268 55 residues pruned to eliminate duplicates Z: 13 13.668 1.955 0.879 0.324 0.917 0.500 CB 1.421 12 residues pruned to eliminate duplicates Z: 27 44.750 2.437 1.373 0.420 0.962 0.615 CB 1.716 27 residues pruned to eliminate duplicates Z: 36 47.842 2.371 1.287 0.451 0.943 0.743 CB 1.663 36 residues pruned to eliminate duplicates Z: 26 18.972 2.113 1.017 0.304 0.800 0.560 CB 1.384 26 residues pruned to eliminate duplicates Z: 37 41.081 2.441 0.911 0.456 0.917 0.611 CB 1.674 37 residues pruned to eliminate duplicates Z: 23 30.415 2.199 1.227 0.450 0.909 0.636 CB 1.533 23 residues pruned to eliminate duplicates Z: 13 23.536 2.210 0.922 0.559 1.000 0.667 CB 1.510 14 residues pruned to eliminate duplicates Z: 35 27.009 2.003 1.010 0.482 0.882 0.588 CB 1.327 35 residues pruned to eliminate duplicates Z: 7 10.035 2.077 0.573 0.659 1.000 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 10 8.160 1.635 0.717 0.467 1.000 0.889 N 1.002 Z: 6 4.151 1.678 0.122 0.572 1.000 0.600 CB 0.919 Z: 27 12.926 1.699 0.640 0.465 0.846 0.577 CB 1.114 27 residues pruned to eliminate duplicates Z: 23 25.077 2.198 1.070 0.399 0.909 0.455 CB 1.437 23 residues pruned to eliminate duplicates Z: 11 9.407 1.902 0.291 0.401 0.900 0.600 CB 1.495 11 residues pruned to eliminate duplicates Z: 27 30.554 2.146 1.030 0.587 0.923 0.615 CB 1.371 27 residues pruned to eliminate duplicates Z: 29 36.448 2.401 1.049 0.546 0.893 0.571 CB 1.499 29 residues pruned to eliminate duplicates Z: 129 93.157 2.433 1.152 0.533 0.922 0.664 CB 1.651 129 residues pruned to eliminate duplicates Z: 7 7.401 1.864 1.185 0.828 1.000 0.667 CB 0.558 7 residues pruned to eliminate duplicates Z: 31 39.589 2.310 1.185 0.568 0.933 0.800 CB 1.436 31 residues pruned to eliminate duplicates Z: 14 25.648 2.298 1.352 0.482 1.000 0.538 CB 1.341 14 residues pruned to eliminate duplicates Z: 73 59.830 2.421 1.071 0.488 0.861 0.625 CB 1.653 73 residues pruned to eliminate duplicates Z: 10 12.199 2.175 0.982 0.357 0.778 0.444 CB 1.415 10 residues pruned to eliminate duplicates Z: 114 63.736 2.259 1.024 0.430 0.903 0.602 CB 1.562 114 residues pruned to eliminate duplicates Z: 7 8.847 2.154 0.784 0.297 0.833 0.667 CA 1.415 7 residues pruned to eliminate duplicates Z: 15 18.117 1.998 1.144 0.502 0.929 0.500 CB 1.215 15 residues pruned to eliminate duplicates Z: 59 88.810 2.465 1.268 0.645 1.000 0.759 CB 1.821 59 residues pruned to eliminate duplicates Z: 110 78.364 2.333 1.086 0.551 0.927 0.642 CB 1.584 110 residues pruned to eliminate duplicates Z: 36 31.663 2.395 1.331 0.304 0.886 0.486 CB 1.345 48 residues pruned to eliminate duplicates Z: 38 46.923 2.444 1.081 0.607 0.919 0.730 CB 1.490 38 residues pruned to eliminate duplicates Z: 25 27.236 2.153 1.070 0.382 0.875 0.625 CB 1.616 25 residues pruned to eliminate duplicates Z: 12 13.931 2.179 1.010 0.309 0.818 0.545 CB 1.448 12 residues pruned to eliminate duplicates Z: 46 40.539 2.346 1.039 0.543 0.911 0.711 CB 1.329 46 residues pruned to eliminate duplicates Z: 7 13.598 2.315 1.027 0.510 0.833 0.667 CB 1.406 7 residues pruned to eliminate duplicates Z: 12 27.874 2.088 1.363 0.543 1.000 0.636 CB 1.634 12 residues pruned to eliminate duplicates Z: 6 8.709 1.743 0.364 0.822 1.000 0.600 CA 1.239 6 residues pruned to eliminate duplicates Z: 26 37.091 2.258 1.185 0.435 0.960 0.560 CB 1.676 26 residues pruned to eliminate duplicates Z: 26 24.296 2.242 1.026 0.373 0.880 0.520 CB 1.393 26 residues pruned to eliminate duplicates Z: 9 3.988 1.415 0.459 0.331 0.750 0.500 N 1.096 9 residues pruned to eliminate duplicates Z: 10 7.446 1.755 0.664 0.446 0.889 0.667 CB 1.011 10 residues pruned to eliminate duplicates Z: 9 10.526 1.742 0.248 0.845 0.875 0.750 N 1.454 9 residues pruned to eliminate duplicates Z: 109 89.236 2.423 1.168 0.519 0.963 0.657 CB 1.666 109 residues pruned to eliminate duplicates Z: 6 4.694 1.447 0.402 0.698 1.000 0.800 CA 0.864 Z: 6 6.635 1.631 1.001 0.498 0.800 0.800 CA 1.138 Z: 45 44.342 2.415 0.977 0.545 0.932 0.636 CB 1.437 45 residues pruned to eliminate duplicates Z: 21 22.698 2.242 0.950 0.421 0.850 0.550 CB 1.483 21 residues pruned to eliminate duplicates Z: 9 3.492 1.476 0.616 0.366 0.625 0.375 N 0.956 6 1.901 1.502 0.084 0.287 0.800 0.400 CB 0.830 ? Z: 26 30.263 2.185 1.140 0.498 0.880 0.480 CB 1.474 26 residues pruned to eliminate duplicates Z: 88 78.883 2.330 1.124 0.578 0.943 0.701 CB 1.682 88 residues pruned to eliminate duplicates Z: 10 12.226 1.972 1.270 0.705 0.778 0.333 CB 0.971 10 residues pruned to eliminate duplicates Z: 37 48.303 2.420 1.228 0.605 0.944 0.639 CB 1.431 37 residues pruned to eliminate duplicates Z: 62 50.226 2.271 1.185 0.397 0.918 0.623 CB 1.573 62 residues pruned to eliminate duplicates Z: 112 91.633 2.455 1.170 0.575 0.910 0.721 CB 1.669 112 residues pruned to eliminate duplicates Z: 38 34.104 2.307 1.010 0.455 0.811 0.649 CB 1.561 38 residues pruned to eliminate duplicates Z: 100 83.244 2.397 1.178 0.569 0.909 0.586 CB 1.649 100 residues pruned to eliminate duplicates Z: 76 51.451 2.336 1.211 0.411 0.867 0.560 CB 1.457 76 residues pruned to eliminate duplicates Z: 10 10.060 1.690 0.385 0.771 0.889 0.889 CA 1.268 10 residues pruned to eliminate duplicates Z: 38 49.404 2.414 1.298 0.449 0.919 0.730 CB 1.678 38 residues pruned to eliminate duplicates Z: 84 81.050 2.409 1.227 0.490 0.964 0.627 CB 1.738 85 residues pruned to eliminate duplicates Z: 52 43.375 2.381 1.001 0.513 0.863 0.588 CB 1.459 52 residues pruned to eliminate duplicates Z: 51 46.608 2.265 1.219 0.361 0.920 0.580 CB 1.655 51 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 48 B: 170 C: 219 CC for partial structure against native data = 45.92 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.778, Connect. = 0.778 for dens.mod. cycle 1 = 0.300, Contrast = 0.896, Connect. = 0.806 for dens.mod. cycle 2 = 0.300, Contrast = 1.115, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 1.148, Connect. = 0.830 for dens.mod. cycle 4 = 0.300, Contrast = 1.175, Connect. = 0.832 for dens.mod. cycle 5 = 0.300, Contrast = 1.182, Connect. = 0.833 for dens.mod. cycle 6 = 0.300, Contrast = 1.190, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.191, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.193, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 1.193, Connect. = 0.835 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2681 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 588 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 68.485 2.664 1.002 0.914 1.000 0.773 CA 1.937 B: 86 67.776 2.529 1.027 0.484 0.882 0.576 CB 1.652 C: 23 70.559 2.681 1.056 0.924 1.000 0.682 CA 1.916 23 residues pruned to eliminate duplicates D: 23 60.975 2.650 0.814 0.921 1.000 0.955 CA 1.903 23 residues pruned to eliminate duplicates E: 24 61.717 2.583 0.866 0.920 1.000 0.870 CA 1.881 F: 52 64.438 2.562 1.125 0.557 0.902 0.647 CB 1.740 55 residues pruned to eliminate duplicates G: 47 42.402 2.540 0.867 0.358 0.891 0.500 CB 1.725 47 residues pruned to eliminate duplicates H: 23 62.004 2.658 0.834 0.934 1.000 0.909 CA 1.891 23 residues pruned to eliminate duplicates I: 21 73.351 2.757 1.063 0.913 1.000 0.800 CA 2.041 21 residues pruned to eliminate duplicates J: 22 29.294 2.491 0.835 0.359 0.905 0.571 CB 1.799 22 residues pruned to eliminate duplicates K: 16 38.622 2.431 1.179 0.917 1.000 0.733 CB 1.329 L: 23 66.869 2.657 0.960 0.927 1.000 0.955 CA 1.918 23 residues pruned to eliminate duplicates M: 23 74.628 2.655 1.231 0.932 0.955 0.773 CA 1.965 23 residues pruned to eliminate duplicates N: 15 51.644 2.549 1.505 0.906 0.929 0.500 CB 1.656 15 residues pruned to eliminate duplicates O: 16 39.805 2.396 1.016 0.882 1.000 0.800 CB 1.539 16 residues pruned to eliminate duplicates P: 71 84.485 2.529 1.104 0.585 0.929 0.629 CB 1.884 23 residues pruned to eliminate duplicates Q: 23 52.751 2.615 0.707 0.922 0.955 0.909 CA 1.855 23 residues pruned to eliminate duplicates R: 15 49.679 2.543 1.466 0.795 0.929 0.714 CB 1.761 15 residues pruned to eliminate duplicates S: 15 37.422 2.494 0.932 0.910 1.000 0.714 CB 1.472 15 residues pruned to eliminate duplicates T: 17 17.412 2.276 0.874 0.300 0.875 0.438 CB 1.458 17 residues pruned to eliminate duplicates U: 15 45.659 2.536 1.268 0.792 0.929 0.857 CB 1.769 15 residues pruned to eliminate duplicates V: 15 39.912 2.458 1.064 0.919 1.000 0.786 CB 1.481 15 residues pruned to eliminate duplicates W: 23 58.524 2.646 0.734 0.914 1.000 0.818 CB 1.923 23 residues pruned to eliminate duplicates X: 13 54.497 2.679 1.282 0.932 0.917 0.750 CB 1.960 13 residues pruned to eliminate duplicates Y: 23 64.764 2.598 1.006 0.928 0.955 0.909 CA 1.944 23 residues pruned to eliminate duplicates Z: 24 71.677 2.522 1.285 0.917 1.000 0.783 CB 1.830 24 residues pruned to eliminate duplicates Z: 22 79.652 2.701 1.324 0.923 1.000 0.762 CB 1.946 23 residues pruned to eliminate duplicates Z: 21 86.877 2.762 1.297 0.931 1.000 0.700 CA 2.141 21 residues pruned to eliminate duplicates Z: 14 48.254 2.710 0.800 0.882 1.000 1.000 CB 1.986 14 residues pruned to eliminate duplicates Z: 16 40.263 2.345 1.109 0.880 1.000 0.800 CB 1.524 16 residues pruned to eliminate duplicates Z: 181 105.390 2.518 1.028 0.503 0.900 0.606 CB 1.703 106 residues pruned to eliminate duplicates Z: 14 31.175 2.124 1.287 0.780 0.923 0.615 CB 1.506 14 residues pruned to eliminate duplicates Z: 16 44.077 2.451 1.013 0.850 1.000 0.733 CA 1.709 16 residues pruned to eliminate duplicates Z: 24 60.958 2.592 1.067 0.880 0.957 0.652 CB 1.797 24 residues pruned to eliminate duplicates Z: 64 56.539 2.456 1.160 0.436 0.921 0.508 CB 1.558 52 residues pruned to eliminate duplicates Z: 23 56.020 2.632 0.887 0.872 0.955 0.864 CA 1.836 23 residues pruned to eliminate duplicates Z: 23 71.426 2.667 1.107 0.931 1.000 0.818 CB 1.893 23 residues pruned to eliminate duplicates Z: 24 62.911 2.624 0.851 0.937 1.000 0.957 CA 1.880 24 residues pruned to eliminate duplicates Z: 13 58.087 2.800 1.225 0.916 1.000 0.833 CA 1.901 13 residues pruned to eliminate duplicates Z: 24 54.345 2.539 0.743 0.937 0.957 0.826 CB 1.863 24 residues pruned to eliminate duplicates Z: 23 60.439 2.657 0.809 0.925 1.000 0.955 CA 1.881 23 residues pruned to eliminate duplicates Z: 24 65.960 2.553 1.017 0.919 1.000 0.565 CA 1.882 24 residues pruned to eliminate duplicates Z: 35 39.814 2.473 1.211 0.488 0.853 0.588 CB 1.482 35 residues pruned to eliminate duplicates Z: 23 62.100 2.662 0.863 0.928 1.000 0.909 CA 1.869 23 residues pruned to eliminate duplicates Z: 35 33.516 2.375 0.737 0.474 0.941 0.706 CB 1.520 Z: 38 57.276 2.529 1.320 0.418 0.919 0.595 CB 1.903 Z: 23 58.727 2.569 0.881 0.889 1.000 0.773 CA 1.864 23 residues pruned to eliminate duplicates Z: 23 65.165 2.636 0.936 0.938 1.000 0.727 CB 1.893 23 residues pruned to eliminate duplicates Z: 42 48.661 2.440 1.289 0.367 0.927 0.463 CB 1.693 42 residues pruned to eliminate duplicates Z: 15 41.268 2.460 1.118 0.871 0.929 0.857 CA 1.663 15 residues pruned to eliminate duplicates Z: 47 51.876 2.550 0.998 0.547 0.891 0.630 CB 1.609 51 residues pruned to eliminate duplicates Z: 11 15.247 2.197 0.569 0.743 0.900 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 15 41.701 2.509 1.263 0.902 1.000 0.786 CB 1.400 15 residues pruned to eliminate duplicates Z: 50 40.652 2.336 0.987 0.331 0.857 0.531 CB 1.758 22 residues pruned to eliminate duplicates Z: 109 89.327 2.492 1.010 0.520 0.963 0.694 CB 1.747 109 residues pruned to eliminate duplicates Z: 24 57.769 2.617 0.967 0.882 0.957 0.783 CA 1.769 24 residues pruned to eliminate duplicates Z: 108 98.190 2.546 1.099 0.530 0.935 0.664 CB 1.846 110 residues pruned to eliminate duplicates Z: 39 48.522 2.469 1.137 0.413 0.895 0.684 CB 1.826 39 residues pruned to eliminate duplicates Z: 54 38.774 2.338 0.995 0.393 0.849 0.528 CB 1.506 54 residues pruned to eliminate duplicates Z: 108 88.198 2.495 1.084 0.508 0.925 0.654 CB 1.758 109 residues pruned to eliminate duplicates Z: 40 49.338 2.448 1.122 0.410 0.949 0.564 CB 1.762 40 residues pruned to eliminate duplicates Z: 24 48.828 2.554 0.678 0.874 0.957 0.826 CA 1.808 24 residues pruned to eliminate duplicates Z: 10 22.845 2.355 0.671 0.825 0.889 0.667 CB 1.644 10 residues pruned to eliminate duplicates Z: 24 55.121 2.571 0.727 0.925 1.000 0.957 CA 1.817 24 residues pruned to eliminate duplicates Z: 21 73.142 2.744 1.085 0.930 1.000 0.800 CB 2.000 21 residues pruned to eliminate duplicates Z: 24 53.701 2.543 0.661 0.915 1.000 0.870 CA 1.874 24 residues pruned to eliminate duplicates Z: 14 56.221 2.707 1.329 0.872 0.923 0.769 CA 1.953 14 residues pruned to eliminate duplicates Z: 106 86.576 2.493 1.034 0.500 0.943 0.657 CB 1.766 106 residues pruned to eliminate duplicates Z: 113 64.551 2.367 0.945 0.487 0.893 0.545 CB 1.503 47 residues pruned to eliminate duplicates Z: 108 93.798 2.507 1.077 0.521 0.953 0.664 CB 1.790 108 residues pruned to eliminate duplicates Z: 23 77.789 2.671 1.251 0.927 1.000 0.773 CA 1.933 23 residues pruned to eliminate duplicates Z: 24 77.203 2.567 1.357 0.907 1.000 0.696 CA 1.891 24 residues pruned to eliminate duplicates Z: 70 90.049 2.567 1.159 0.590 0.942 0.710 CB 1.905 70 residues pruned to eliminate duplicates Z: 109 82.315 2.470 1.095 0.498 0.926 0.611 CB 1.656 109 residues pruned to eliminate duplicates Z: 108 104.198 2.560 1.230 0.514 0.935 0.673 CB 1.862 108 residues pruned to eliminate duplicates Z: 49 53.769 2.510 1.141 0.391 0.896 0.688 CB 1.810 49 residues pruned to eliminate duplicates Z: 50 50.294 2.406 1.137 0.383 0.898 0.592 CB 1.762 51 residues pruned to eliminate duplicates Z: 34 41.824 2.562 0.958 0.486 0.879 0.667 CB 1.675 34 residues pruned to eliminate duplicates Z: 156 113.357 2.544 1.156 0.523 0.910 0.606 CB 1.784 157 residues pruned to eliminate duplicates Z: 40 39.197 2.339 0.884 0.382 0.949 0.667 CB 1.702 40 residues pruned to eliminate duplicates Z: 12 50.632 2.743 1.040 0.938 1.000 1.000 CB 1.897 12 residues pruned to eliminate duplicates Z: 14 48.593 2.710 1.120 0.887 1.000 0.692 CB 1.691 14 residues pruned to eliminate duplicates Z: 81 85.885 2.500 1.144 0.555 0.938 0.650 CB 1.811 81 residues pruned to eliminate duplicates Z: 13 30.771 2.264 1.087 0.802 0.917 0.667 CA 1.575 13 residues pruned to eliminate duplicates Z: 22 34.855 2.320 1.276 0.447 0.905 0.714 CB 1.682 22 residues pruned to eliminate duplicates Z: 28 23.924 2.439 0.888 0.318 0.815 0.407 CB 1.499 28 residues pruned to eliminate duplicates Z: 49 47.626 2.421 0.999 0.373 0.938 0.562 CB 1.735 49 residues pruned to eliminate duplicates Z: 17 17.369 2.220 0.860 0.381 0.812 0.375 CB 1.469 17 residues pruned to eliminate duplicates Z: 51 37.302 2.255 1.080 0.421 0.860 0.440 CB 1.420 51 residues pruned to eliminate duplicates Z: 15 40.748 2.504 0.907 0.789 1.000 0.643 CA 1.770 15 residues pruned to eliminate duplicates Z: 14 36.736 2.463 0.896 0.918 1.000 0.846 CB 1.539 14 residues pruned to eliminate duplicates Z: 111 75.497 2.520 1.064 0.460 0.891 0.555 CB 1.619 111 residues pruned to eliminate duplicates Z: 132 97.534 2.556 1.054 0.546 0.901 0.634 CB 1.723 132 residues pruned to eliminate duplicates Z: 27 30.338 2.519 0.693 0.453 0.846 0.654 CB 1.730 27 residues pruned to eliminate duplicates Z: 108 87.691 2.471 1.051 0.512 0.944 0.673 CB 1.752 108 residues pruned to eliminate duplicates Z: 23 70.865 2.658 1.197 0.881 0.955 0.727 CA 1.962 23 residues pruned to eliminate duplicates Z: 26 53.131 2.743 1.213 0.620 0.880 0.720 CB 1.776 26 residues pruned to eliminate duplicates Z: 24 59.465 2.553 0.927 0.923 0.957 0.609 CB 1.853 24 residues pruned to eliminate duplicates Z: 13 10.542 2.155 0.737 0.451 0.750 0.500 CB 1.139 13 residues pruned to eliminate duplicates Z: 13 33.560 2.277 1.049 0.762 1.000 0.750 CA 1.646 13 residues pruned to eliminate duplicates Z: 18 14.969 2.166 0.885 0.266 0.824 0.294 CB 1.409 18 residues pruned to eliminate duplicates Z: 108 94.131 2.524 1.115 0.516 0.935 0.692 CB 1.795 106 residues pruned to eliminate duplicates Z: 77 65.316 2.484 1.084 0.426 0.868 0.671 CB 1.800 77 residues pruned to eliminate duplicates Z: 23 40.566 2.509 0.476 0.907 1.000 0.864 CB 1.660 23 residues pruned to eliminate duplicates Z: 12 17.672 2.101 0.543 0.794 0.909 0.636 CA 1.397 12 residues pruned to eliminate duplicates Z: 25 39.992 2.495 1.233 0.556 0.917 0.625 CB 1.514 25 residues pruned to eliminate duplicates Z: 54 40.906 2.378 0.940 0.421 0.868 0.528 CB 1.524 54 residues pruned to eliminate duplicates Z: 71 82.193 2.517 1.051 0.588 0.957 0.686 CB 1.828 71 residues pruned to eliminate duplicates Z: 108 88.137 2.487 1.039 0.501 0.953 0.682 CB 1.761 108 residues pruned to eliminate duplicates Z: 12 22.178 2.114 0.681 0.800 0.909 0.727 CA 1.592 12 residues pruned to eliminate duplicates Z: 49 42.998 2.456 1.127 0.425 0.875 0.500 CB 1.468 49 residues pruned to eliminate duplicates Z: 81 64.272 2.554 1.094 0.441 0.875 0.600 CB 1.632 81 residues pruned to eliminate duplicates Z: 29 17.376 2.192 0.757 0.289 0.786 0.393 CB 1.376 29 residues pruned to eliminate duplicates Z: 15 37.146 2.436 1.064 0.818 0.929 0.786 CB 1.614 15 residues pruned to eliminate duplicates Z: 6 9.217 1.892 0.857 0.488 0.800 0.800 O 1.485 6 residues pruned to eliminate duplicates Z: 13 15.282 2.201 0.918 0.341 0.833 0.667 CB 1.492 13 residues pruned to eliminate duplicates Z: 42 75.547 2.567 1.275 0.663 0.951 0.732 CB 1.826 42 residues pruned to eliminate duplicates Z: 10 17.018 2.248 0.680 0.877 0.889 0.778 CB 1.227 10 residues pruned to eliminate duplicates Z: 81 90.784 2.532 1.121 0.565 0.950 0.650 CB 1.869 81 residues pruned to eliminate duplicates Z: 70 83.756 2.561 1.129 0.565 0.942 0.580 CB 1.844 70 residues pruned to eliminate duplicates Z: 9 2.873 2.082 0.446 0.235 0.750 0.250 CB 0.612 9 residues pruned to eliminate duplicates Z: 23 76.554 2.641 1.215 0.911 1.000 0.682 CA 1.977 23 residues pruned to eliminate duplicates Z: 13 10.675 1.870 0.911 0.323 0.833 0.500 CB 1.258 Z: 13 32.718 2.257 0.977 0.767 1.000 0.750 CB 1.670 13 residues pruned to eliminate duplicates Z: 136 103.116 2.536 1.091 0.509 0.926 0.726 CB 1.792 149 residues pruned to eliminate duplicates Z: 12 30.377 2.385 0.915 0.873 0.909 0.727 CB 1.606 12 residues pruned to eliminate duplicates Z: 110 84.602 2.471 1.049 0.499 0.908 0.661 CB 1.763 110 residues pruned to eliminate duplicates Z: 52 45.779 2.364 1.034 0.372 0.882 0.608 CB 1.732 52 residues pruned to eliminate duplicates Z: 130 111.043 2.564 1.210 0.528 0.922 0.597 CB 1.819 130 residues pruned to eliminate duplicates Z: 51 52.407 2.439 1.144 0.372 0.920 0.540 CB 1.766 51 residues pruned to eliminate duplicates Z: 23 72.023 2.651 1.148 0.896 1.000 0.727 CA 1.932 23 residues pruned to eliminate duplicates Z: 90 98.410 2.582 1.164 0.547 0.966 0.652 CB 1.845 90 residues pruned to eliminate duplicates Z: 24 65.276 2.552 0.981 0.925 1.000 0.739 CA 1.890 24 residues pruned to eliminate duplicates Z: 106 82.282 2.499 0.963 0.501 0.943 0.619 CB 1.735 106 residues pruned to eliminate duplicates Z: 23 56.230 2.614 0.735 0.930 0.955 0.773 CB 1.937 23 residues pruned to eliminate duplicates Z: 23 55.499 2.598 0.680 0.892 1.000 0.727 CA 1.948 23 residues pruned to eliminate duplicates Z: 46 51.075 2.470 1.249 0.396 0.844 0.533 CB 1.811 46 residues pruned to eliminate duplicates Z: 24 50.053 2.560 0.778 0.898 0.957 0.826 CB 1.715 24 residues pruned to eliminate duplicates Z: 40 80.655 2.633 1.318 0.677 0.923 0.667 CB 1.948 40 residues pruned to eliminate duplicates Z: 9 22.141 2.448 0.679 0.864 0.875 0.750 CB 1.596 9 residues pruned to eliminate duplicates Z: 40 35.884 2.270 1.078 0.330 0.897 0.615 CB 1.635 40 residues pruned to eliminate duplicates Z: 12 16.473 2.033 0.792 0.730 0.818 0.727 CA 1.355 12 residues pruned to eliminate duplicates Z: 70 76.903 2.501 1.085 0.590 0.913 0.667 CB 1.784 70 residues pruned to eliminate duplicates Z: 58 81.850 2.589 1.119 0.617 0.947 0.719 CB 1.867 58 residues pruned to eliminate duplicates Z: 24 67.004 2.593 1.017 0.927 1.000 0.739 CA 1.871 24 residues pruned to eliminate duplicates Z: 13 32.736 2.273 1.014 0.818 1.000 0.833 CA 1.566 13 residues pruned to eliminate duplicates Z: 7 13.641 2.097 1.355 0.400 0.833 0.833 CB 1.502 7 residues pruned to eliminate duplicates Z: 24 51.160 2.559 0.721 0.899 1.000 0.870 CA 1.732 24 residues pruned to eliminate duplicates Z: 108 93.931 2.501 1.130 0.521 0.944 0.626 CB 1.768 108 residues pruned to eliminate duplicates Z: 108 92.846 2.503 1.055 0.528 0.944 0.720 CB 1.798 108 residues pruned to eliminate duplicates Z: 23 76.112 2.639 1.129 0.924 1.000 0.591 CA 2.029 23 residues pruned to eliminate duplicates Z: 12 18.584 1.956 0.783 0.863 1.000 0.636 CB 1.179 12 residues pruned to eliminate duplicates Z: 71 90.743 2.538 1.196 0.586 0.957 0.614 CB 1.872 71 residues pruned to eliminate duplicates Z: 82 78.846 2.493 0.968 0.564 0.963 0.741 CB 1.743 82 residues pruned to eliminate duplicates Z: 51 48.060 2.426 1.018 0.505 0.880 0.580 CB 1.570 51 residues pruned to eliminate duplicates Z: 108 98.161 2.569 1.138 0.505 0.935 0.682 CB 1.840 108 residues pruned to eliminate duplicates Z: 14 14.064 2.138 0.641 0.328 0.923 0.538 CB 1.455 14 residues pruned to eliminate duplicates Z: 14 26.260 2.165 1.045 0.748 0.923 0.769 CB 1.428 14 residues pruned to eliminate duplicates Z: 109 97.029 2.536 1.069 0.519 0.944 0.657 CB 1.848 109 residues pruned to eliminate duplicates Z: 13 9.746 2.000 0.726 0.276 0.750 0.417 CB 1.400 13 residues pruned to eliminate duplicates Z: 106 93.172 2.535 1.103 0.485 0.924 0.629 CB 1.874 106 residues pruned to eliminate duplicates Z: 23 65.179 2.629 1.160 0.862 0.955 0.818 CA 1.881 23 residues pruned to eliminate duplicates Z: 112 63.624 2.393 0.992 0.469 0.865 0.550 CB 1.512 112 residues pruned to eliminate duplicates Z: 13 33.763 2.303 1.021 0.782 1.000 0.583 CA 1.633 13 residues pruned to eliminate duplicates Z: 80 66.425 2.446 1.001 0.527 0.899 0.570 CB 1.655 80 residues pruned to eliminate duplicates Z: 15 33.305 2.423 0.828 0.817 1.000 0.643 CB 1.526 15 residues pruned to eliminate duplicates Z: 6 2.780 1.782 0.594 0.301 0.600 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 129 107.043 2.570 1.137 0.525 0.922 0.664 CB 1.823 129 residues pruned to eliminate duplicates Z: 56 33.811 2.253 0.961 0.376 0.855 0.473 CB 1.378 56 residues pruned to eliminate duplicates Z: 107 86.117 2.489 0.990 0.521 0.943 0.651 CB 1.753 107 residues pruned to eliminate duplicates Z: 53 34.529 2.233 1.094 0.389 0.846 0.596 CB 1.362 53 residues pruned to eliminate duplicates Z: 108 99.743 2.537 1.191 0.533 0.925 0.607 CB 1.814 108 residues pruned to eliminate duplicates Z: 25 33.114 2.386 0.994 0.347 0.917 0.542 CB 1.830 25 residues pruned to eliminate duplicates Z: 82 80.792 2.487 1.049 0.565 0.963 0.617 CB 1.717 82 residues pruned to eliminate duplicates Z: 22 26.491 2.414 0.838 0.397 0.810 0.476 CB 1.794 22 residues pruned to eliminate duplicates Z: 48 46.611 2.386 1.090 0.383 0.894 0.681 CB 1.728 48 residues pruned to eliminate duplicates Z: 42 36.934 2.357 0.861 0.541 0.854 0.610 CB 1.480 42 residues pruned to eliminate duplicates Z: 108 87.537 2.498 1.046 0.517 0.925 0.673 CB 1.760 108 residues pruned to eliminate duplicates Z: 111 94.818 2.497 1.126 0.504 0.945 0.636 CB 1.795 111 residues pruned to eliminate duplicates Z: 13 14.698 2.190 0.568 0.475 0.917 0.583 CB 1.383 13 residues pruned to eliminate duplicates Z: 16 38.720 2.360 0.932 0.867 1.000 0.800 CA 1.605 16 residues pruned to eliminate duplicates Z: 22 62.988 2.697 0.937 0.919 1.000 0.905 CA 1.854 22 residues pruned to eliminate duplicates Z: 6 3.812 1.792 0.361 0.351 0.600 0.400 C 1.369 6 residues pruned to eliminate duplicates Z: 11 28.753 2.193 0.858 0.846 1.000 0.900 CB 1.658 11 residues pruned to eliminate duplicates Z: 135 102.958 2.572 1.129 0.522 0.925 0.679 CB 1.717 135 residues pruned to eliminate duplicates Z: 11 28.950 2.187 0.869 0.858 1.000 0.900 CB 1.649 11 residues pruned to eliminate duplicates Z: 82 91.041 2.507 1.135 0.574 0.963 0.716 CB 1.827 82 residues pruned to eliminate duplicates Z: 6 3.667 1.826 0.536 0.571 0.600 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 51 46.268 2.379 1.056 0.389 0.880 0.620 CB 1.711 51 residues pruned to eliminate duplicates Z: 66 75.524 2.494 1.141 0.525 0.938 0.585 CB 1.824 66 residues pruned to eliminate duplicates Z: 109 81.901 2.465 0.979 0.490 0.935 0.667 CB 1.745 109 residues pruned to eliminate duplicates Z: 41 48.637 2.450 1.220 0.399 0.875 0.575 CB 1.796 41 residues pruned to eliminate duplicates Z: 109 89.589 2.496 1.106 0.513 0.917 0.648 CB 1.767 109 residues pruned to eliminate duplicates Z: 14 21.055 2.169 0.766 0.496 1.000 0.846 CB 1.531 14 residues pruned to eliminate duplicates Z: 20 47.997 2.694 1.288 0.667 0.895 0.684 CB 1.711 20 residues pruned to eliminate duplicates Z: 13 29.898 2.192 1.063 0.773 1.000 0.750 CA 1.499 13 residues pruned to eliminate duplicates Z: 107 102.074 2.548 1.092 0.534 0.943 0.632 CB 1.906 107 residues pruned to eliminate duplicates Z: 10 19.880 2.297 0.622 0.813 0.889 0.778 CB 1.524 10 residues pruned to eliminate duplicates Z: 69 90.192 2.589 1.134 0.605 0.971 0.676 CB 1.846 69 residues pruned to eliminate duplicates Z: 34 31.079 2.214 1.006 0.371 0.909 0.576 CB 1.538 22 residues pruned to eliminate duplicates Z: 10 23.078 2.255 0.947 0.883 1.000 0.889 CB 1.267 10 residues pruned to eliminate duplicates Z: 39 48.987 2.442 0.980 0.492 0.921 0.763 CB 1.799 39 residues pruned to eliminate duplicates Z: 111 78.171 2.528 1.118 0.470 0.891 0.555 CB 1.611 112 residues pruned to eliminate duplicates Z: 26 25.402 2.156 0.980 0.450 0.880 0.520 CB 1.423 26 residues pruned to eliminate duplicates Z: 50 58.048 2.515 1.075 0.562 0.898 0.694 CB 1.666 50 residues pruned to eliminate duplicates Z: 77 65.419 2.428 1.028 0.452 0.947 0.618 CB 1.690 77 residues pruned to eliminate duplicates Z: 21 22.835 2.125 0.867 0.485 0.900 0.600 CB 1.453 21 residues pruned to eliminate duplicates Z: 110 79.913 2.472 1.026 0.494 0.899 0.670 CB 1.710 110 residues pruned to eliminate duplicates Z: 24 39.516 2.451 1.227 0.560 0.913 0.609 CB 1.559 24 residues pruned to eliminate duplicates Z: 21 21.565 2.356 1.080 0.302 0.850 0.350 CB 1.443 21 residues pruned to eliminate duplicates Z: 66 56.851 2.404 0.979 0.429 0.923 0.585 CB 1.728 66 residues pruned to eliminate duplicates Z: 38 51.768 2.498 1.163 0.409 0.919 0.541 CB 1.885 38 residues pruned to eliminate duplicates Z: 82 76.974 2.496 0.998 0.558 0.938 0.691 CB 1.727 82 residues pruned to eliminate duplicates Z: 13 18.391 1.911 0.711 0.785 0.917 0.917 CA 1.379 13 residues pruned to eliminate duplicates Z: 10 28.446 2.365 0.826 0.801 1.000 0.667 CB 1.689 10 residues pruned to eliminate duplicates Z: 40 57.668 2.609 1.078 0.575 0.897 0.641 CB 1.766 40 residues pruned to eliminate duplicates Z: 38 27.467 2.140 0.953 0.467 0.865 0.486 CB 1.291 38 residues pruned to eliminate duplicates Z: 69 83.861 2.534 1.166 0.574 0.941 0.647 CB 1.833 69 residues pruned to eliminate duplicates Z: 10 10.026 2.095 0.774 0.433 0.667 0.667 CB 1.446 10 residues pruned to eliminate duplicates Z: 82 75.399 2.483 1.035 0.544 0.926 0.642 CB 1.715 82 residues pruned to eliminate duplicates Z: 7 12.920 1.993 0.488 0.788 1.000 0.500 CA 1.380 7 residues pruned to eliminate duplicates Z: 11 8.752 1.838 0.471 0.357 0.800 0.600 CB 1.493 11 residues pruned to eliminate duplicates Z: 49 47.356 2.340 1.032 0.431 0.917 0.646 CB 1.683 49 residues pruned to eliminate duplicates Z: 101 61.565 2.359 0.995 0.481 0.880 0.580 CB 1.516 101 residues pruned to eliminate duplicates Z: 9 6.068 1.708 0.313 0.280 0.875 0.375 CB 1.402 9 residues pruned to eliminate duplicates Z: 21 26.875 2.130 1.008 0.610 0.900 0.350 CB 1.407 21 residues pruned to eliminate duplicates Z: 23 27.619 2.306 0.872 0.343 0.955 0.591 CB 1.695 23 residues pruned to eliminate duplicates Z: 12 13.315 2.085 0.375 0.841 0.727 0.545 CA 1.436 12 residues pruned to eliminate duplicates Z: 12 20.686 2.014 0.898 0.779 0.909 0.727 CB 1.403 12 residues pruned to eliminate duplicates Z: 37 60.481 2.504 1.048 0.562 1.000 0.639 CB 1.851 37 residues pruned to eliminate duplicates Z: 50 52.690 2.460 0.971 0.565 0.918 0.673 CB 1.588 50 residues pruned to eliminate duplicates Z: 110 93.316 2.524 1.088 0.569 0.908 0.670 CB 1.747 110 residues pruned to eliminate duplicates Z: 69 88.707 2.583 1.175 0.580 0.941 0.618 CB 1.884 69 residues pruned to eliminate duplicates Z: 81 55.784 2.479 1.029 0.405 0.863 0.575 CB 1.589 82 residues pruned to eliminate duplicates Z: 6 7.645 1.787 0.178 0.710 1.000 0.800 CB 1.343 6 residues pruned to eliminate duplicates Z: 69 54.087 2.507 1.078 0.388 0.868 0.544 CB 1.634 69 residues pruned to eliminate duplicates Z: 14 22.095 2.303 1.076 0.361 0.923 0.538 CB 1.613 14 residues pruned to eliminate duplicates Z: 51 41.228 2.413 1.126 0.444 0.860 0.520 CB 1.400 51 residues pruned to eliminate duplicates Z: 13 5.838 1.944 0.302 0.240 0.750 0.333 CB 1.200 13 residues pruned to eliminate duplicates Z: 48 26.766 2.117 0.735 0.434 0.851 0.468 CB 1.338 48 residues pruned to eliminate duplicates Z: 19 12.662 2.011 0.417 0.373 0.778 0.444 CB 1.543 19 residues pruned to eliminate duplicates Z: 17 27.259 2.407 1.134 0.380 0.875 0.562 CB 1.724 17 residues pruned to eliminate duplicates Z: 12 25.716 2.062 0.926 0.836 1.000 0.909 CB 1.461 12 residues pruned to eliminate duplicates Z: 170 104.850 2.493 1.078 0.503 0.917 0.592 CB 1.693 170 residues pruned to eliminate duplicates Z: 38 44.457 2.312 1.127 0.422 0.919 0.622 CB 1.754 38 residues pruned to eliminate duplicates Z: 134 96.442 2.510 1.060 0.500 0.940 0.684 CB 1.721 134 residues pruned to eliminate duplicates Z: 46 52.078 2.435 1.165 0.411 0.911 0.578 CB 1.774 46 residues pruned to eliminate duplicates Z: 69 63.184 2.454 1.069 0.442 0.926 0.588 CB 1.729 69 residues pruned to eliminate duplicates Z: 14 9.458 2.134 0.400 0.291 0.769 0.385 CB 1.442 14 residues pruned to eliminate duplicates Z: 23 59.002 2.560 1.031 0.872 0.955 0.682 CB 1.848 23 residues pruned to eliminate duplicates Z: 20 11.293 1.959 0.617 0.291 0.737 0.368 CB 1.404 14 residues pruned to eliminate duplicates Z: 48 45.233 2.373 0.858 0.417 0.915 0.617 CB 1.785 49 residues pruned to eliminate duplicates Z: 19 30.449 2.389 1.029 0.498 0.944 0.611 CB 1.570 19 residues pruned to eliminate duplicates Z: 108 92.806 2.523 1.105 0.554 0.916 0.636 CB 1.750 108 residues pruned to eliminate duplicates Z: 13 23.247 2.304 0.922 0.460 1.000 0.583 CB 1.579 13 residues pruned to eliminate duplicates Z: 15 54.337 2.510 1.271 0.878 1.000 0.786 CA 1.849 15 residues pruned to eliminate duplicates Z: 18 18.257 2.230 1.017 0.298 0.765 0.471 CB 1.613 18 residues pruned to eliminate duplicates Z: 40 44.840 2.412 1.109 0.415 0.897 0.590 CB 1.718 40 residues pruned to eliminate duplicates Z: 77 64.841 2.494 0.978 0.420 0.921 0.658 CB 1.780 77 residues pruned to eliminate duplicates Z: 45 75.020 2.553 1.228 0.632 0.932 0.727 CB 1.886 45 residues pruned to eliminate duplicates Z: 30 26.215 2.232 0.793 0.517 0.862 0.552 CB 1.388 30 residues pruned to eliminate duplicates Z: 7 6.206 1.777 1.493 0.536 0.667 0.500 N 0.828 Z: 6 3.403 1.308 0.855 0.501 0.600 0.400 CB 1.044 6 residues pruned to eliminate duplicates Z: 7 6.169 1.693 0.591 0.675 0.667 0.333 CA 1.194 7 residues pruned to eliminate duplicates Z: 13 22.634 2.278 0.842 0.544 0.917 0.750 CB 1.627 13 residues pruned to eliminate duplicates Z: 42 53.497 2.539 1.001 0.593 0.902 0.780 CB 1.668 42 residues pruned to eliminate duplicates Z: 23 32.350 2.249 0.956 0.461 0.909 0.455 CB 1.794 23 residues pruned to eliminate duplicates Z: 28 41.409 2.536 1.171 0.509 0.852 0.630 CB 1.685 28 residues pruned to eliminate duplicates Z: 23 69.720 2.588 1.108 0.919 1.000 0.864 CA 1.920 23 residues pruned to eliminate duplicates Z: 15 26.526 2.309 1.282 0.537 0.857 0.643 CB 1.514 15 residues pruned to eliminate duplicates Z: 15 10.440 2.043 0.520 0.282 0.786 0.500 CB 1.462 15 residues pruned to eliminate duplicates Z: 11 16.243 2.131 1.170 0.543 0.800 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 12 10.571 2.137 0.626 0.242 0.909 0.364 CB 1.360 12 residues pruned to eliminate duplicates Z: 12 20.289 2.346 0.987 0.412 0.818 0.636 CA 1.759 12 residues pruned to eliminate duplicates Z: 13 8.507 1.810 0.840 0.411 0.667 0.500 CB 1.215 13 residues pruned to eliminate duplicates Z: 64 86.066 2.519 1.114 0.630 0.968 0.683 CB 1.860 64 residues pruned to eliminate duplicates Z: 39 55.024 2.484 1.123 0.423 0.947 0.632 CB 1.935 50 residues pruned to eliminate duplicates Z: 109 82.941 2.462 1.045 0.505 0.926 0.685 CB 1.702 109 residues pruned to eliminate duplicates Z: 102 73.362 2.536 1.100 0.467 0.861 0.525 CB 1.646 102 residues pruned to eliminate duplicates Z: 36 38.940 2.391 1.097 0.480 0.886 0.543 CB 1.513 41 residues pruned to eliminate duplicates Z: 47 56.545 2.650 0.927 0.536 0.870 0.587 CB 1.813 47 residues pruned to eliminate duplicates Z: 70 88.270 2.554 1.170 0.589 0.942 0.725 CB 1.869 70 residues pruned to eliminate duplicates Z: 60 56.435 2.548 1.027 0.421 0.881 0.542 CB 1.752 60 residues pruned to eliminate duplicates Z: 100 93.531 2.477 1.136 0.555 0.960 0.657 CB 1.756 100 residues pruned to eliminate duplicates Z: 25 46.520 2.652 1.153 0.620 0.917 0.792 CB 1.620 25 residues pruned to eliminate duplicates Z: 27 27.659 2.320 0.948 0.352 0.885 0.577 CB 1.593 27 residues pruned to eliminate duplicates Z: 60 47.229 2.391 1.113 0.453 0.881 0.576 CB 1.449 60 residues pruned to eliminate duplicates Z: 10 32.272 2.192 1.064 0.919 1.000 0.556 CB 1.676 10 residues pruned to eliminate duplicates Z: 109 91.985 2.522 1.052 0.584 0.898 0.620 CB 1.756 109 residues pruned to eliminate duplicates Z: 10 8.249 1.712 0.421 0.729 0.778 0.667 CB 1.182 10 residues pruned to eliminate duplicates Z: 130 99.024 2.538 1.096 0.535 0.891 0.682 CB 1.776 130 residues pruned to eliminate duplicates Z: 15 30.775 2.482 1.219 0.447 0.929 0.714 CB 1.698 15 residues pruned to eliminate duplicates Z: 10 10.860 1.819 0.280 0.821 1.000 0.556 CA 1.177 10 residues pruned to eliminate duplicates Z: 43 41.298 2.318 0.870 0.418 0.881 0.643 CB 1.817 43 residues pruned to eliminate duplicates Z: 6 13.009 2.361 1.072 0.714 0.800 0.800 CB 1.225 6 residues pruned to eliminate duplicates Z: 11 17.508 1.965 0.836 0.748 0.900 0.500 CA 1.366 11 residues pruned to eliminate duplicates Z: 14 33.978 2.519 0.881 0.875 0.923 0.846 CB 1.566 14 residues pruned to eliminate duplicates Z: 55 48.239 2.458 1.137 0.444 0.852 0.519 CB 1.555 56 residues pruned to eliminate duplicates Z: 97 55.321 2.416 1.006 0.405 0.844 0.531 CB 1.526 97 residues pruned to eliminate duplicates Z: 12 15.233 2.115 0.855 0.442 0.909 0.636 CB 1.367 12 residues pruned to eliminate duplicates Z: 39 37.999 2.428 1.075 0.433 0.895 0.553 CB 1.466 39 residues pruned to eliminate duplicates Z: 54 75.063 2.508 1.034 0.670 0.962 0.755 CB 1.795 54 residues pruned to eliminate duplicates Z: 22 19.363 2.116 1.197 0.348 0.810 0.381 CB 1.323 22 residues pruned to eliminate duplicates Z: 70 82.026 2.515 1.096 0.581 0.942 0.623 CB 1.839 70 residues pruned to eliminate duplicates Z: 10 3.454 1.746 0.292 0.259 0.667 0.444 CB 1.008 Z: 9 10.030 1.894 0.268 0.758 0.875 0.625 CB 1.341 9 residues pruned to eliminate duplicates Z: 23 22.069 2.209 1.105 0.380 0.864 0.545 CB 1.331 23 residues pruned to eliminate duplicates Z: 50 47.290 2.392 1.146 0.386 0.878 0.571 CB 1.694 50 residues pruned to eliminate duplicates Z: 32 42.832 2.346 1.035 0.491 0.903 0.645 CB 1.800 32 residues pruned to eliminate duplicates Z: 21 28.173 2.445 0.912 0.456 0.850 0.700 CB 1.658 21 residues pruned to eliminate duplicates Z: 23 29.771 2.381 1.074 0.384 0.909 0.727 CB 1.600 23 residues pruned to eliminate duplicates Z: 14 12.011 2.052 0.535 0.366 0.846 0.615 CB 1.443 14 residues pruned to eliminate duplicates Z: 93 91.167 2.507 1.096 0.523 0.946 0.674 CB 1.871 93 residues pruned to eliminate duplicates Z: 68 58.128 2.385 1.020 0.437 0.925 0.612 CB 1.701 68 residues pruned to eliminate duplicates Z: 82 86.647 2.474 1.141 0.570 0.963 0.679 CB 1.764 82 residues pruned to eliminate duplicates Z: 43 39.175 2.316 1.058 0.373 0.905 0.571 CB 1.606 43 residues pruned to eliminate duplicates Z: 10 8.882 1.679 0.631 0.740 0.667 0.556 CB 1.307 10 residues pruned to eliminate duplicates Z: 78 51.490 2.427 0.863 0.459 0.883 0.597 CB 1.533 78 residues pruned to eliminate duplicates Z: 59 45.604 2.338 0.860 0.498 0.897 0.569 CB 1.538 59 residues pruned to eliminate duplicates Z: 42 33.807 2.274 0.820 0.462 0.878 0.610 CB 1.510 42 residues pruned to eliminate duplicates Z: 12 15.597 1.994 0.730 0.740 0.818 0.545 CB 1.344 12 residues pruned to eliminate duplicates Z: 10 10.123 1.755 0.358 0.765 0.889 0.556 CA 1.259 10 residues pruned to eliminate duplicates Z: 37 53.247 2.518 1.375 0.432 0.917 0.639 CB 1.737 37 residues pruned to eliminate duplicates Z: 7 2.983 1.691 0.116 0.384 0.833 0.333 CB 0.877 Z: 22 27.269 2.241 0.852 0.475 0.905 0.619 CB 1.625 22 residues pruned to eliminate duplicates Z: 7 7.687 1.950 0.572 0.321 0.833 0.667 CA 1.497 Z: 11 31.457 2.356 0.980 0.869 1.000 0.500 CB 1.558 11 residues pruned to eliminate duplicates Z: 81 89.943 2.513 1.116 0.575 0.950 0.713 CB 1.851 81 residues pruned to eliminate duplicates Z: 9 12.688 1.863 0.457 0.812 0.875 0.625 CA 1.439 9 residues pruned to eliminate duplicates Z: 35 44.821 2.365 1.088 0.430 0.941 0.588 CB 1.779 35 residues pruned to eliminate duplicates Z: 11 34.034 2.410 1.120 0.864 0.900 0.500 CB 1.716 11 residues pruned to eliminate duplicates Z: 68 81.798 2.490 1.127 0.559 0.955 0.627 CB 1.865 68 residues pruned to eliminate duplicates Z: 21 31.493 2.270 0.969 0.465 0.950 0.650 CB 1.718 21 residues pruned to eliminate duplicates Z: 66 75.595 2.444 1.024 0.568 0.985 0.708 CB 1.803 66 residues pruned to eliminate duplicates Z: 118 75.184 2.386 1.038 0.427 0.923 0.641 CB 1.670 118 residues pruned to eliminate duplicates Z: 29 49.763 2.468 1.312 0.418 0.964 0.714 CB 1.861 29 residues pruned to eliminate duplicates Z: 82 60.288 2.457 1.058 0.411 0.901 0.543 CB 1.613 82 residues pruned to eliminate duplicates Z: 50 35.736 2.262 0.953 0.417 0.857 0.612 CB 1.470 50 residues pruned to eliminate duplicates Z: 9 2.166 1.461 -0.093 0.273 0.750 0.625 CB 0.996 9 residues pruned to eliminate duplicates Z: 50 32.180 2.216 0.895 0.414 0.857 0.531 CB 1.397 50 residues pruned to eliminate duplicates Z: 11 28.986 2.184 0.942 0.856 1.000 0.800 CA 1.593 11 residues pruned to eliminate duplicates Z: 48 42.741 2.393 1.098 0.453 0.894 0.553 CB 1.458 48 residues pruned to eliminate duplicates Z: 10 35.629 2.420 1.169 0.834 1.000 0.667 CB 1.697 10 residues pruned to eliminate duplicates Z: 13 9.886 2.151 0.749 0.325 0.667 0.583 CA 1.379 13 residues pruned to eliminate duplicates Z: 25 28.035 2.394 0.641 0.420 0.917 0.625 CB 1.727 25 residues pruned to eliminate duplicates Z: 30 35.434 2.328 0.909 0.501 0.931 0.621 CB 1.589 30 residues pruned to eliminate duplicates Z: 6 6.496 1.816 0.311 0.714 0.800 0.600 CB 1.256 6 residues pruned to eliminate duplicates Z: 71 82.031 2.563 1.111 0.575 0.929 0.629 CB 1.815 71 residues pruned to eliminate duplicates Z: 34 42.343 2.415 1.150 0.517 0.909 0.515 CB 1.536 33 residues pruned to eliminate duplicates Z: 79 76.600 2.501 0.977 0.526 0.949 0.654 CB 1.802 79 residues pruned to eliminate duplicates Z: 45 47.979 2.448 0.996 0.532 0.909 0.545 CB 1.577 45 residues pruned to eliminate duplicates Z: 18 19.444 2.199 0.678 0.394 0.941 0.588 CB 1.520 18 residues pruned to eliminate duplicates Z: 11 13.018 1.684 0.584 0.722 0.900 0.600 CA 1.403 11 residues pruned to eliminate duplicates Z: 124 101.686 2.512 1.110 0.513 0.959 0.667 CB 1.780 124 residues pruned to eliminate duplicates Z: 108 94.300 2.490 1.175 0.518 0.944 0.645 CB 1.752 108 residues pruned to eliminate duplicates Z: 19 28.181 2.314 1.102 0.496 1.000 0.444 CB 1.371 19 residues pruned to eliminate duplicates Z: 69 66.356 2.435 1.016 0.548 0.912 0.706 CB 1.715 69 residues pruned to eliminate duplicates Z: 37 34.503 2.197 0.959 0.516 0.944 0.528 CB 1.392 37 residues pruned to eliminate duplicates Z: 102 97.365 2.562 1.106 0.530 0.950 0.703 CB 1.835 102 residues pruned to eliminate duplicates Z: 8 11.337 1.887 0.514 0.802 0.857 0.714 CB 1.344 8 residues pruned to eliminate duplicates Z: 12 27.963 2.353 0.730 0.825 1.000 0.909 CA 1.562 12 residues pruned to eliminate duplicates Z: 40 36.211 2.233 1.047 0.475 0.923 0.538 CB 1.409 40 residues pruned to eliminate duplicates Z: 24 22.742 2.207 0.855 0.299 0.913 0.609 CB 1.588 24 residues pruned to eliminate duplicates Z: 15 18.083 2.134 0.875 0.438 0.857 0.571 CB 1.503 15 residues pruned to eliminate duplicates Z: 6 2.566 1.502 0.427 0.302 0.800 0.400 N 0.835 Z: 16 43.378 2.350 1.068 0.880 1.000 0.733 CA 1.670 16 residues pruned to eliminate duplicates Z: 11 17.464 2.364 1.227 0.416 0.900 0.600 CB 1.272 11 residues pruned to eliminate duplicates Z: 16 17.196 2.415 1.011 0.315 0.800 0.533 CB 1.403 16 residues pruned to eliminate duplicates Z: 10 18.892 2.632 0.568 0.453 0.889 0.667 CB 1.802 10 residues pruned to eliminate duplicates Z: 15 23.742 2.393 0.882 0.276 0.929 0.643 CA 1.955 15 residues pruned to eliminate duplicates Z: 67 69.210 2.471 0.918 0.528 0.970 0.697 CB 1.803 67 residues pruned to eliminate duplicates Z: 40 37.861 2.250 1.021 0.374 0.923 0.513 CB 1.653 40 residues pruned to eliminate duplicates Z: 16 24.762 2.252 0.921 0.420 0.933 0.600 CB 1.720 16 residues pruned to eliminate duplicates Z: 8 8.030 1.943 0.423 0.773 0.714 0.429 CB 1.208 8 residues pruned to eliminate duplicates Z: 44 35.868 2.174 0.980 0.461 0.884 0.558 CB 1.496 44 residues pruned to eliminate duplicates Z: 48 52.027 2.424 1.119 0.409 0.915 0.596 CB 1.776 48 residues pruned to eliminate duplicates Z: 9 14.657 1.936 0.414 0.845 1.000 0.750 CA 1.407 9 residues pruned to eliminate duplicates Z: 37 32.814 2.212 0.921 0.503 0.917 0.444 CB 1.400 37 residues pruned to eliminate duplicates Z: 55 79.049 2.466 1.133 0.622 0.926 0.667 CB 1.968 55 residues pruned to eliminate duplicates Z: 7 12.575 2.176 1.152 0.434 0.833 0.500 CB 1.409 7 residues pruned to eliminate duplicates Z: 102 101.661 2.528 1.109 0.544 0.970 0.693 CB 1.874 102 residues pruned to eliminate duplicates Z: 36 36.652 2.527 1.204 0.315 0.886 0.543 CB 1.542 36 residues pruned to eliminate duplicates Z: 32 46.199 2.541 1.004 0.559 0.903 0.581 CB 1.704 32 residues pruned to eliminate duplicates Z: 7 4.877 1.553 0.364 0.476 0.833 0.333 CB 1.156 Z: 64 41.553 2.484 0.871 0.373 0.810 0.571 CB 1.594 64 residues pruned to eliminate duplicates Z: 35 46.678 2.440 0.926 0.491 0.971 0.735 CB 1.770 35 residues pruned to eliminate duplicates Z: 6 2.389 1.379 0.402 0.100 1.000 0.400 O 0.921 Z: 6 9.340 2.167 0.638 0.485 0.800 0.800 CB 1.494 6 residues pruned to eliminate duplicates Z: 59 42.801 2.383 0.973 0.379 0.862 0.569 CB 1.578 59 residues pruned to eliminate duplicates Z: 26 33.993 2.552 0.635 0.492 0.960 0.640 CB 1.710 26 residues pruned to eliminate duplicates Z: 27 25.563 2.040 1.102 0.474 0.923 0.538 CB 1.300 27 residues pruned to eliminate duplicates Z: 51 36.755 2.283 0.959 0.420 0.880 0.360 CB 1.436 51 residues pruned to eliminate duplicates Z: 87 79.678 2.461 1.002 0.553 0.942 0.686 CB 1.758 87 residues pruned to eliminate duplicates Z: 34 44.032 2.457 1.175 0.529 0.909 0.606 CB 1.534 34 residues pruned to eliminate duplicates Z: 70 89.013 2.546 1.146 0.601 0.957 0.696 CB 1.862 70 residues pruned to eliminate duplicates Z: 6 2.530 1.604 0.507 0.299 0.800 0.400 CB 0.732 Z: 25 32.884 2.284 1.172 0.575 0.917 0.583 CB 1.374 25 residues pruned to eliminate duplicates Z: 7 5.374 1.338 0.408 0.868 1.000 0.667 CB 0.851 Z: 44 53.487 2.425 1.012 0.586 0.930 0.674 CB 1.655 44 residues pruned to eliminate duplicates Z: 109 81.982 2.442 0.970 0.512 0.926 0.685 CB 1.750 109 residues pruned to eliminate duplicates Z: 9 14.457 1.923 1.071 0.619 0.875 0.875 CB 1.311 9 residues pruned to eliminate duplicates Z: 96 64.931 2.491 0.998 0.413 0.926 0.589 CB 1.582 96 residues pruned to eliminate duplicates Z: 26 27.441 2.136 1.026 0.516 0.920 0.560 CB 1.357 26 residues pruned to eliminate duplicates Z: 29 25.229 2.015 0.854 0.363 0.964 0.643 CB 1.534 29 residues pruned to eliminate duplicates Z: 32 38.326 2.400 0.898 0.535 0.935 0.774 CB 1.561 32 residues pruned to eliminate duplicates Z: 130 82.341 2.446 0.965 0.516 0.907 0.651 CB 1.637 130 residues pruned to eliminate duplicates Z: 14 20.041 2.303 0.641 0.581 0.923 0.692 CB 1.473 14 residues pruned to eliminate duplicates Z: 48 25.172 2.189 0.943 0.281 0.809 0.404 CB 1.367 48 residues pruned to eliminate duplicates Z: 57 34.844 2.317 0.735 0.439 0.821 0.625 CB 1.501 57 residues pruned to eliminate duplicates Z: 7 4.729 1.735 0.230 0.335 0.833 0.333 N 1.300 Z: 53 42.760 2.365 0.999 0.414 0.942 0.519 CB 1.456 53 residues pruned to eliminate duplicates Z: 24 25.640 2.292 0.966 0.463 0.870 0.609 CB 1.417 24 residues pruned to eliminate duplicates Z: 8 18.945 2.539 0.498 0.822 1.000 0.857 CB 1.424 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 109 89.850 2.500 1.089 0.523 0.935 0.648 CB 1.730 109 residues pruned to eliminate duplicates Z: 14 27.488 2.492 1.186 0.400 0.923 0.769 CB 1.684 14 residues pruned to eliminate duplicates Z: 50 45.349 2.381 1.057 0.355 0.898 0.612 CB 1.723 50 residues pruned to eliminate duplicates Z: 106 83.333 2.484 1.062 0.484 0.924 0.657 CB 1.746 106 residues pruned to eliminate duplicates Z: 49 51.121 2.406 1.137 0.400 0.917 0.604 CB 1.740 49 residues pruned to eliminate duplicates Z: 107 91.380 2.499 1.076 0.527 0.934 0.651 CB 1.783 107 residues pruned to eliminate duplicates Z: 50 53.510 2.436 1.168 0.395 0.939 0.551 CB 1.723 50 residues pruned to eliminate duplicates Z: 50 52.248 2.427 1.074 0.401 0.939 0.571 CB 1.753 50 residues pruned to eliminate duplicates Z: 108 89.117 2.501 1.093 0.509 0.935 0.626 CB 1.746 108 residues pruned to eliminate duplicates Z: 33 35.398 2.308 1.116 0.366 0.906 0.531 CB 1.633 33 residues pruned to eliminate duplicates Z: 40 47.733 2.430 1.173 0.409 0.923 0.615 CB 1.724 40 residues pruned to eliminate duplicates Z: 50 53.046 2.410 1.125 0.397 0.939 0.531 CB 1.756 50 residues pruned to eliminate duplicates Z: 49 56.777 2.447 1.258 0.399 0.938 0.646 CB 1.760 49 residues pruned to eliminate duplicates Z: 109 90.177 2.492 1.027 0.524 0.944 0.648 CB 1.777 109 residues pruned to eliminate duplicates Z: 109 90.416 2.506 1.078 0.513 0.954 0.648 CB 1.729 109 residues pruned to eliminate duplicates Z: 50 51.109 2.403 1.044 0.417 0.918 0.571 CB 1.765 50 residues pruned to eliminate duplicates Z: 108 92.109 2.525 1.101 0.507 0.925 0.664 CB 1.802 108 residues pruned to eliminate duplicates Z: 109 89.094 2.493 1.044 0.520 0.917 0.657 CB 1.799 109 residues pruned to eliminate duplicates Z: 24 32.258 2.409 1.093 0.360 0.870 0.435 CA 1.784 24 residues pruned to eliminate duplicates Z: 109 86.246 2.507 1.031 0.505 0.926 0.713 CB 1.751 109 residues pruned to eliminate duplicates Z: 33 34.845 2.371 1.026 0.343 0.875 0.625 CB 1.739 33 residues pruned to eliminate duplicates Z: 50 50.296 2.408 1.036 0.393 0.918 0.612 CB 1.788 50 residues pruned to eliminate duplicates Z: 108 91.555 2.505 1.059 0.511 0.953 0.682 CB 1.780 108 residues pruned to eliminate duplicates Z: 108 92.335 2.505 1.112 0.525 0.935 0.636 CB 1.760 108 residues pruned to eliminate duplicates Z: 50 47.311 2.429 1.099 0.391 0.878 0.673 CB 1.695 50 residues pruned to eliminate duplicates Z: 108 96.090 2.521 1.158 0.518 0.944 0.673 CB 1.776 108 residues pruned to eliminate duplicates Z: 50 52.140 2.431 1.164 0.389 0.918 0.612 CB 1.735 50 residues pruned to eliminate duplicates Z: 109 90.948 2.492 1.029 0.512 0.954 0.676 CB 1.794 109 residues pruned to eliminate duplicates Z: 49 56.055 2.410 1.121 0.434 0.958 0.625 CB 1.768 49 residues pruned to eliminate duplicates Z: 50 46.779 2.367 1.213 0.380 0.857 0.571 CB 1.692 50 residues pruned to eliminate duplicates Z: 109 90.628 2.500 1.049 0.520 0.935 0.639 CB 1.786 109 residues pruned to eliminate duplicates Z: 82 83.566 2.491 1.066 0.573 0.938 0.728 CB 1.793 82 residues pruned to eliminate duplicates Z: 107 92.780 2.522 1.060 0.525 0.953 0.698 CB 1.777 107 residues pruned to eliminate duplicates Z: 13 22.576 2.025 1.318 0.477 0.917 0.583 CA 1.550 13 residues pruned to eliminate duplicates Z: 25 28.408 2.210 1.162 0.422 0.875 0.708 CB 1.505 25 residues pruned to eliminate duplicates Z: 108 88.202 2.497 1.065 0.514 0.935 0.664 CB 1.746 108 residues pruned to eliminate duplicates Z: 106 95.911 2.527 1.088 0.528 0.971 0.676 CB 1.776 106 residues pruned to eliminate duplicates Z: 23 29.915 2.247 1.149 0.411 0.909 0.591 CB 1.596 23 residues pruned to eliminate duplicates Z: 110 88.488 2.484 1.097 0.498 0.945 0.697 CB 1.727 110 residues pruned to eliminate duplicates Z: 23 29.046 2.254 1.162 0.413 0.909 0.591 CB 1.531 23 residues pruned to eliminate duplicates Z: 49 43.928 2.392 1.021 0.361 0.875 0.604 CB 1.740 49 residues pruned to eliminate duplicates Z: 16 14.689 2.084 0.736 0.357 0.867 0.467 CB 1.412 16 residues pruned to eliminate duplicates Z: 100 88.066 2.491 1.047 0.536 0.929 0.687 CB 1.804 100 residues pruned to eliminate duplicates Z: 23 28.224 2.287 1.092 0.397 0.864 0.545 CB 1.623 23 residues pruned to eliminate duplicates Z: 13 16.677 2.146 0.928 0.358 0.917 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 48 56.557 2.461 1.219 0.400 0.936 0.553 CB 1.793 49 residues pruned to eliminate duplicates Z: 11 10.833 1.846 0.501 0.597 0.900 0.500 CB 1.252 11 residues pruned to eliminate duplicates Z: 108 93.061 2.509 1.106 0.509 0.963 0.636 CB 1.754 108 residues pruned to eliminate duplicates Z: 109 86.141 2.488 1.073 0.497 0.917 0.611 CB 1.759 109 residues pruned to eliminate duplicates Z: 70 76.057 2.506 1.129 0.563 0.913 0.638 CB 1.768 70 residues pruned to eliminate duplicates Z: 109 85.825 2.479 1.017 0.487 0.954 0.639 CB 1.754 109 residues pruned to eliminate duplicates Z: 63 76.500 2.498 1.006 0.591 0.984 0.677 CB 1.806 63 residues pruned to eliminate duplicates Z: 103 78.612 2.422 1.057 0.493 0.941 0.608 CB 1.671 103 residues pruned to eliminate duplicates Z: 69 81.902 2.550 1.024 0.584 0.971 0.779 CB 1.829 69 residues pruned to eliminate duplicates Z: 102 88.007 2.490 1.027 0.532 0.931 0.653 CB 1.806 102 residues pruned to eliminate duplicates Z: 110 86.640 2.493 1.056 0.502 0.927 0.624 CB 1.743 110 residues pruned to eliminate duplicates Z: 99 97.827 2.520 1.112 0.551 0.969 0.745 CB 1.822 97 residues pruned to eliminate duplicates Z: 7 4.097 1.698 0.352 0.344 0.667 0.667 CA 1.294 7 residues pruned to eliminate duplicates Z: 109 90.608 2.493 1.149 0.519 0.926 0.639 CB 1.725 109 residues pruned to eliminate duplicates Z: 109 92.305 2.517 1.129 0.510 0.935 0.694 CB 1.755 109 residues pruned to eliminate duplicates Z: 83 81.212 2.494 1.073 0.555 0.963 0.659 CB 1.706 83 residues pruned to eliminate duplicates Z: 104 98.814 2.507 1.160 0.540 0.951 0.670 CB 1.816 104 residues pruned to eliminate duplicates Z: 82 83.943 2.506 1.111 0.576 0.951 0.679 CB 1.723 82 residues pruned to eliminate duplicates Z: 70 80.421 2.534 1.008 0.592 0.957 0.754 CB 1.821 70 residues pruned to eliminate duplicates Z: 83 79.966 2.463 1.062 0.539 0.939 0.707 CB 1.783 83 residues pruned to eliminate duplicates Z: 89 75.956 2.432 1.098 0.531 0.932 0.614 CB 1.652 89 residues pruned to eliminate duplicates Z: 101 91.971 2.495 1.087 0.532 0.950 0.740 CB 1.802 101 residues pruned to eliminate duplicates Z: 61 76.094 2.510 1.036 0.626 0.967 0.683 CB 1.766 61 residues pruned to eliminate duplicates Z: 109 94.257 2.492 1.140 0.509 0.954 0.667 CB 1.767 109 residues pruned to eliminate duplicates Z: 95 89.088 2.589 1.059 0.552 0.936 0.713 CB 1.750 95 residues pruned to eliminate duplicates Z: 108 93.631 2.521 1.110 0.513 0.953 0.701 CB 1.762 108 residues pruned to eliminate duplicates Z: 74 72.371 2.464 1.002 0.547 0.918 0.726 CB 1.787 74 residues pruned to eliminate duplicates Z: 80 82.950 2.516 1.048 0.568 0.949 0.709 CB 1.786 80 residues pruned to eliminate duplicates Z: 82 80.218 2.495 1.107 0.548 0.938 0.704 CB 1.725 82 residues pruned to eliminate duplicates Z: 153 100.683 2.510 1.035 0.522 0.901 0.658 CB 1.735 154 residues pruned to eliminate duplicates Z: 24 70.791 2.588 1.099 0.915 1.000 0.870 CA 1.920 24 residues pruned to eliminate duplicates Z: 109 88.445 2.497 1.037 0.508 0.935 0.694 CB 1.776 109 residues pruned to eliminate duplicates Z: 81 83.876 2.509 1.056 0.573 0.963 0.700 CB 1.760 81 residues pruned to eliminate duplicates Z: 83 80.625 2.494 1.153 0.551 0.927 0.646 CB 1.702 83 residues pruned to eliminate duplicates Z: 108 90.531 2.468 1.119 0.510 0.944 0.673 CB 1.755 108 residues pruned to eliminate duplicates Z: 60 80.101 2.576 1.170 0.615 0.932 0.678 CB 1.796 60 residues pruned to eliminate duplicates Z: 70 73.328 2.536 0.966 0.565 0.942 0.652 CB 1.765 70 residues pruned to eliminate duplicates Z: 108 96.305 2.509 1.193 0.526 0.935 0.692 CB 1.765 108 residues pruned to eliminate duplicates Z: 114 86.111 2.471 1.043 0.496 0.938 0.681 CB 1.718 114 residues pruned to eliminate duplicates Z: 109 94.223 2.495 1.143 0.509 0.944 0.694 CB 1.779 109 residues pruned to eliminate duplicates Z: 108 91.958 2.513 1.138 0.519 0.935 0.673 CB 1.737 108 residues pruned to eliminate duplicates Z: 108 88.300 2.470 1.084 0.516 0.944 0.701 CB 1.728 108 residues pruned to eliminate duplicates Z: 109 98.030 2.512 1.151 0.521 0.963 0.676 CB 1.775 109 residues pruned to eliminate duplicates Z: 109 90.613 2.479 1.194 0.495 0.926 0.648 CB 1.741 109 residues pruned to eliminate duplicates Z: 70 74.311 2.513 1.033 0.566 0.928 0.667 CB 1.771 70 residues pruned to eliminate duplicates Z: 110 87.523 2.481 1.148 0.495 0.927 0.642 CB 1.706 110 residues pruned to eliminate duplicates Z: 109 84.633 2.456 1.051 0.504 0.926 0.713 CB 1.739 109 residues pruned to eliminate duplicates Z: 70 79.736 2.553 1.101 0.579 0.942 0.681 CB 1.760 70 residues pruned to eliminate duplicates Z: 82 80.830 2.463 1.133 0.540 0.951 0.580 CB 1.729 82 residues pruned to eliminate duplicates Z: 109 99.896 2.506 1.192 0.519 0.954 0.667 CB 1.801 109 residues pruned to eliminate duplicates Z: 108 94.729 2.504 1.179 0.504 0.944 0.664 CB 1.771 108 residues pruned to eliminate duplicates Z: 96 95.532 2.563 1.042 0.586 0.947 0.758 CB 1.822 96 residues pruned to eliminate duplicates Z: 46 53.533 2.634 1.014 0.530 0.822 0.622 CB 1.777 46 residues pruned to eliminate duplicates Z: 28 42.024 2.687 0.922 0.516 0.889 0.556 CB 1.734 28 residues pruned to eliminate duplicates Z: 31 45.122 2.671 1.061 0.512 0.867 0.667 CB 1.706 31 residues pruned to eliminate duplicates Z: 27 46.673 2.697 0.975 0.578 0.885 0.692 CB 1.803 27 residues pruned to eliminate duplicates Z: 118 78.132 2.509 1.083 0.446 0.906 0.547 CB 1.612 118 residues pruned to eliminate duplicates Z: 28 49.938 2.700 1.000 0.549 0.926 0.667 CB 1.832 28 residues pruned to eliminate duplicates Z: 50 63.773 2.598 1.033 0.541 0.918 0.633 CB 1.804 50 residues pruned to eliminate duplicates Z: 114 71.507 2.536 1.025 0.450 0.850 0.566 CB 1.623 114 residues pruned to eliminate duplicates Z: 52 57.532 2.537 1.009 0.546 0.882 0.667 CB 1.712 52 residues pruned to eliminate duplicates Z: 29 48.777 2.688 1.079 0.535 0.893 0.571 CB 1.785 29 residues pruned to eliminate duplicates Z: 151 88.074 2.512 0.956 0.497 0.880 0.620 CB 1.668 151 residues pruned to eliminate duplicates Z: 51 56.624 2.620 1.101 0.527 0.820 0.600 CB 1.728 51 residues pruned to eliminate duplicates Z: 134 106.215 2.546 1.190 0.529 0.917 0.684 CB 1.749 134 residues pruned to eliminate duplicates Z: 29 42.909 2.565 1.040 0.530 0.893 0.571 CB 1.686 29 residues pruned to eliminate duplicates Z: 170 106.042 2.541 1.025 0.486 0.911 0.651 CB 1.764 170 residues pruned to eliminate duplicates Z: 30 49.335 2.613 1.081 0.570 0.897 0.552 CB 1.756 30 residues pruned to eliminate duplicates Z: 47 56.846 2.568 1.025 0.496 0.935 0.609 CB 1.731 47 residues pruned to eliminate duplicates Z: 41 60.794 2.646 1.033 0.575 0.900 0.675 CB 1.848 41 residues pruned to eliminate duplicates Z: 66 63.608 2.602 1.039 0.484 0.892 0.692 CB 1.695 66 residues pruned to eliminate duplicates Z: 56 51.436 2.479 0.902 0.477 0.891 0.545 CB 1.690 56 residues pruned to eliminate duplicates Z: 136 107.231 2.550 1.091 0.530 0.956 0.667 CB 1.759 136 residues pruned to eliminate duplicates Z: 28 35.314 2.505 0.930 0.486 0.889 0.519 CB 1.605 28 residues pruned to eliminate duplicates Z: 52 57.436 2.587 1.113 0.523 0.843 0.588 CB 1.707 52 residues pruned to eliminate duplicates Z: 95 64.409 2.534 0.989 0.414 0.883 0.585 CB 1.633 95 residues pruned to eliminate duplicates Z: 49 46.189 2.520 1.026 0.412 0.875 0.521 CB 1.636 49 residues pruned to eliminate duplicates Z: 98 87.792 2.527 1.094 0.568 0.928 0.577 CB 1.701 98 residues pruned to eliminate duplicates Z: 56 55.976 2.538 1.038 0.475 0.873 0.618 CB 1.715 56 residues pruned to eliminate duplicates Z: 78 64.921 2.531 1.149 0.466 0.857 0.597 CB 1.644 78 residues pruned to eliminate duplicates Z: 34 37.664 2.553 0.964 0.461 0.818 0.727 CB 1.663 34 residues pruned to eliminate duplicates Z: 161 110.652 2.540 1.140 0.502 0.913 0.625 CB 1.760 160 residues pruned to eliminate duplicates Z: 11 21.725 2.249 0.825 0.755 0.900 0.500 CB 1.482 11 residues pruned to eliminate duplicates Z: 51 68.242 2.642 1.259 0.532 0.900 0.640 CB 1.741 51 residues pruned to eliminate duplicates Z: 47 52.271 2.536 0.982 0.507 0.891 0.543 CB 1.709 47 residues pruned to eliminate duplicates Z: 79 67.047 2.568 1.045 0.466 0.872 0.603 CB 1.718 79 residues pruned to eliminate duplicates Z: 180 110.596 2.534 1.078 0.502 0.927 0.654 CB 1.690 180 residues pruned to eliminate duplicates Z: 70 57.396 2.485 1.067 0.408 0.913 0.536 CB 1.622 70 residues pruned to eliminate duplicates Z: 26 32.713 2.577 0.787 0.469 0.840 0.680 CB 1.746 26 residues pruned to eliminate duplicates Z: 96 62.384 2.510 0.998 0.430 0.863 0.568 CB 1.591 96 residues pruned to eliminate duplicates Z: 70 62.222 2.582 1.028 0.466 0.855 0.609 CB 1.732 70 residues pruned to eliminate duplicates Z: 49 34.857 2.445 0.812 0.342 0.833 0.500 CB 1.618 49 residues pruned to eliminate duplicates Z: 21 34.941 2.576 1.004 0.432 0.850 0.600 CB 1.910 21 residues pruned to eliminate duplicates Z: 66 64.372 2.573 1.100 0.464 0.877 0.569 CB 1.748 66 residues pruned to eliminate duplicates Z: 34 35.879 2.506 0.953 0.354 0.879 0.485 CB 1.701 34 residues pruned to eliminate duplicates Z: 20 30.152 2.590 0.774 0.430 0.842 0.579 CB 1.924 20 residues pruned to eliminate duplicates Z: 45 45.897 2.559 1.149 0.357 0.864 0.477 CB 1.700 45 residues pruned to eliminate duplicates Z: 34 35.854 2.463 0.961 0.363 0.879 0.515 CB 1.704 34 residues pruned to eliminate duplicates Z: 81 60.109 2.487 1.145 0.422 0.850 0.525 CB 1.607 81 residues pruned to eliminate duplicates Z: 82 66.718 2.482 1.039 0.455 0.914 0.519 CB 1.679 82 residues pruned to eliminate duplicates Z: 55 58.010 2.553 1.031 0.494 0.926 0.500 CB 1.655 55 residues pruned to eliminate duplicates Z: 10 18.036 2.139 1.399 0.481 0.889 0.444 CB 1.343 10 residues pruned to eliminate duplicates Z: 51 34.814 2.340 1.009 0.423 0.820 0.500 CB 1.384 51 residues pruned to eliminate duplicates Z: 19 24.398 2.380 0.949 0.340 0.889 0.611 CB 1.660 19 residues pruned to eliminate duplicates Z: 29 34.745 2.478 1.127 0.351 0.893 0.500 CB 1.640 29 residues pruned to eliminate duplicates Z: 32 25.723 2.278 1.093 0.321 0.806 0.452 CB 1.464 32 residues pruned to eliminate duplicates Z: 53 50.253 2.468 1.100 0.417 0.904 0.500 CB 1.622 53 residues pruned to eliminate duplicates Z: 30 34.348 2.415 1.110 0.339 0.931 0.483 CB 1.602 30 residues pruned to eliminate duplicates Z: 53 43.239 2.374 1.124 0.405 0.904 0.462 CB 1.454 53 residues pruned to eliminate duplicates Z: 28 27.116 2.443 1.086 0.334 0.778 0.556 CB 1.579 28 residues pruned to eliminate duplicates Z: 28 27.080 2.460 1.143 0.336 0.815 0.519 CB 1.450 28 residues pruned to eliminate duplicates Z: 19 17.274 2.190 0.940 0.287 0.944 0.556 CA 1.289 19 residues pruned to eliminate duplicates Z: 15 17.086 2.332 0.947 0.309 0.857 0.643 CA 1.450 15 residues pruned to eliminate duplicates Z: 30 32.819 2.407 1.085 0.341 0.862 0.483 CB 1.676 30 residues pruned to eliminate duplicates Z: 80 66.863 2.547 1.062 0.449 0.873 0.620 CB 1.728 80 residues pruned to eliminate duplicates Z: 29 29.546 2.436 1.045 0.331 0.857 0.429 CB 1.574 29 residues pruned to eliminate duplicates Z: 63 50.390 2.478 1.078 0.424 0.887 0.532 CB 1.516 63 residues pruned to eliminate duplicates Z: 29 27.066 2.417 0.846 0.318 0.857 0.429 CB 1.634 29 residues pruned to eliminate duplicates Z: 80 60.253 2.503 0.940 0.443 0.886 0.506 CB 1.671 80 residues pruned to eliminate duplicates Z: 29 23.865 2.347 0.894 0.311 0.786 0.464 CB 1.593 29 residues pruned to eliminate duplicates Z: 52 50.108 2.494 1.205 0.424 0.902 0.412 CB 1.530 52 residues pruned to eliminate duplicates Z: 61 54.307 2.470 1.172 0.416 0.900 0.567 CB 1.584 61 residues pruned to eliminate duplicates Z: 12 5.927 2.069 0.638 0.135 0.636 0.273 CB 1.304 12 residues pruned to eliminate duplicates Z: 62 47.846 2.472 1.066 0.389 0.885 0.426 CB 1.524 62 residues pruned to eliminate duplicates Z: 40 36.095 2.438 1.077 0.420 0.872 0.513 CB 1.423 40 residues pruned to eliminate duplicates Z: 16 17.949 2.330 1.064 0.270 0.867 0.467 CB 1.444 16 residues pruned to eliminate duplicates Z: 13 6.184 1.853 0.925 0.174 0.833 0.250 CB 0.891 13 residues pruned to eliminate duplicates Z: 52 35.220 2.277 1.023 0.363 0.824 0.373 CB 1.506 52 residues pruned to eliminate duplicates Z: 62 49.867 2.483 1.181 0.407 0.852 0.475 CB 1.524 62 residues pruned to eliminate duplicates Z: 73 51.064 2.387 1.043 0.424 0.875 0.444 CB 1.526 73 residues pruned to eliminate duplicates Z: 42 42.101 2.417 1.072 0.450 0.927 0.537 CB 1.491 42 residues pruned to eliminate duplicates Z: 52 50.699 2.472 1.192 0.415 0.922 0.510 CB 1.553 52 residues pruned to eliminate duplicates Z: 49 50.100 2.503 1.223 0.435 0.938 0.542 CB 1.482 49 residues pruned to eliminate duplicates Z: 63 46.204 2.476 1.010 0.409 0.871 0.500 CB 1.489 63 residues pruned to eliminate duplicates Z: 50 45.179 2.487 1.107 0.392 0.878 0.469 CB 1.573 50 residues pruned to eliminate duplicates Z: 51 41.893 2.462 1.096 0.406 0.860 0.460 CB 1.473 51 residues pruned to eliminate duplicates Z: 25 31.881 2.360 1.108 0.509 0.917 0.500 CB 1.414 25 residues pruned to eliminate duplicates Z: 37 37.441 2.421 1.052 0.470 0.889 0.500 CB 1.457 37 residues pruned to eliminate duplicates Z: 51 38.107 2.426 0.892 0.407 0.860 0.440 CB 1.505 51 residues pruned to eliminate duplicates Z: 35 38.867 2.444 1.253 0.456 0.853 0.500 CB 1.485 35 residues pruned to eliminate duplicates Z: 51 46.480 2.423 1.243 0.446 0.900 0.500 CB 1.421 51 residues pruned to eliminate duplicates Z: 35 43.354 2.449 1.266 0.497 0.882 0.559 CB 1.522 35 residues pruned to eliminate duplicates Z: 38 38.300 2.442 1.191 0.432 0.865 0.486 CB 1.459 38 residues pruned to eliminate duplicates Z: 16 34.496 2.321 1.284 0.601 0.933 0.600 CB 1.635 16 residues pruned to eliminate duplicates Z: 54 47.055 2.434 1.182 0.385 0.887 0.509 CB 1.550 54 residues pruned to eliminate duplicates Z: 61 50.961 2.494 1.148 0.386 0.883 0.533 CB 1.568 61 residues pruned to eliminate duplicates Z: 39 38.344 2.406 1.239 0.465 0.868 0.474 CB 1.378 39 residues pruned to eliminate duplicates Z: 41 38.327 2.394 1.146 0.445 0.850 0.525 CB 1.468 40 residues pruned to eliminate duplicates Z: 14 33.424 2.172 1.065 0.785 1.000 0.769 CB 1.608 14 residues pruned to eliminate duplicates Z: 53 43.983 2.379 1.095 0.381 0.904 0.519 CB 1.536 53 residues pruned to eliminate duplicates Z: 16 28.129 2.243 1.053 0.628 0.933 0.667 CB 1.498 16 residues pruned to eliminate duplicates Z: 112 75.508 2.507 1.124 0.466 0.865 0.559 CB 1.611 112 residues pruned to eliminate duplicates Z: 37 41.396 2.391 1.300 0.467 0.889 0.500 CB 1.460 37 residues pruned to eliminate duplicates Z: 35 46.119 2.482 1.271 0.503 0.912 0.500 CB 1.533 35 residues pruned to eliminate duplicates Z: 36 42.411 2.469 1.200 0.492 0.886 0.543 CB 1.502 36 residues pruned to eliminate duplicates Z: 14 20.489 2.281 1.084 0.516 0.923 0.615 CB 1.275 14 residues pruned to eliminate duplicates Z: 6 7.736 2.093 0.779 0.277 0.800 0.600 CA 1.494 6 residues pruned to eliminate duplicates Z: 15 15.388 2.224 0.854 0.419 0.857 0.357 CB 1.267 15 residues pruned to eliminate duplicates Z: 26 38.118 2.416 1.104 0.541 0.920 0.600 CB 1.565 26 residues pruned to eliminate duplicates Z: 27 31.851 2.391 1.143 0.530 0.808 0.500 CB 1.465 27 residues pruned to eliminate duplicates Z: 63 50.052 2.461 1.075 0.417 0.871 0.532 CB 1.559 63 residues pruned to eliminate duplicates Z: 37 40.344 2.398 1.172 0.473 0.917 0.639 CB 1.447 37 residues pruned to eliminate duplicates Z: 62 46.392 2.454 1.040 0.404 0.869 0.475 CB 1.510 62 residues pruned to eliminate duplicates Z: 125 82.504 2.461 1.021 0.513 0.903 0.605 CB 1.628 66 residues pruned to eliminate duplicates Z: 6 8.090 1.905 1.331 0.284 0.800 0.600 CB 1.298 6 residues pruned to eliminate duplicates Z: 108 106.870 2.554 1.237 0.513 0.953 0.664 CB 1.873 108 residues pruned to eliminate duplicates Z: 40 50.597 2.497 1.267 0.394 0.872 0.590 CB 1.836 40 residues pruned to eliminate duplicates Z: 109 99.080 2.547 1.143 0.498 0.935 0.667 CB 1.870 109 residues pruned to eliminate duplicates Z: 38 50.420 2.522 1.223 0.397 0.892 0.541 CB 1.847 38 residues pruned to eliminate duplicates Z: 28 30.505 2.332 1.127 0.316 0.852 0.481 CB 1.702 28 residues pruned to eliminate duplicates Z: 23 41.303 2.435 1.245 0.409 0.955 0.591 CB 1.856 23 residues pruned to eliminate duplicates Z: 109 94.670 2.552 1.068 0.503 0.926 0.611 CB 1.859 109 residues pruned to eliminate duplicates Z: 49 56.237 2.477 1.151 0.391 0.938 0.583 CB 1.823 49 residues pruned to eliminate duplicates Z: 107 102.266 2.575 1.157 0.504 0.953 0.632 CB 1.869 107 residues pruned to eliminate duplicates Z: 107 100.892 2.562 1.158 0.519 0.934 0.623 CB 1.863 107 residues pruned to eliminate duplicates Z: 109 99.805 2.568 1.117 0.509 0.944 0.630 CB 1.855 109 residues pruned to eliminate duplicates Z: 39 54.407 2.510 1.266 0.394 0.947 0.447 CB 1.832 39 residues pruned to eliminate duplicates Z: 39 50.486 2.453 1.273 0.415 0.868 0.500 CB 1.848 39 residues pruned to eliminate duplicates Z: 49 61.495 2.493 1.299 0.401 0.958 0.500 CB 1.794 49 residues pruned to eliminate duplicates Z: 40 49.886 2.459 1.180 0.410 0.897 0.538 CB 1.825 40 residues pruned to eliminate duplicates Z: 40 53.662 2.469 1.194 0.411 0.949 0.590 CB 1.836 40 residues pruned to eliminate duplicates Z: 109 102.578 2.563 1.162 0.514 0.935 0.611 CB 1.879 109 residues pruned to eliminate duplicates Z: 38 54.204 2.546 1.220 0.424 0.919 0.649 CB 1.857 38 residues pruned to eliminate duplicates Z: 40 53.236 2.459 1.414 0.396 0.897 0.462 CB 1.787 40 residues pruned to eliminate duplicates Z: 40 51.455 2.488 1.279 0.399 0.897 0.615 CB 1.802 40 residues pruned to eliminate duplicates Z: 93 88.935 2.532 1.155 0.506 0.913 0.620 CB 1.850 93 residues pruned to eliminate duplicates Z: 40 51.859 2.496 1.286 0.398 0.897 0.513 CB 1.806 40 residues pruned to eliminate duplicates Z: 49 53.589 2.468 1.215 0.396 0.896 0.583 CB 1.762 49 residues pruned to eliminate duplicates Z: 108 99.033 2.566 1.161 0.522 0.916 0.617 CB 1.844 108 residues pruned to eliminate duplicates Z: 39 48.426 2.494 1.184 0.413 0.868 0.658 CB 1.818 39 residues pruned to eliminate duplicates Z: 13 22.494 2.270 1.154 0.398 0.833 0.500 CB 1.775 13 residues pruned to eliminate duplicates Z: 13 23.833 2.231 1.075 0.466 0.917 0.667 CB 1.677 13 residues pruned to eliminate duplicates Z: 108 103.501 2.574 1.173 0.521 0.953 0.626 CB 1.838 108 residues pruned to eliminate duplicates Z: 48 61.485 2.541 1.290 0.410 0.915 0.574 CB 1.852 48 residues pruned to eliminate duplicates Z: 41 50.180 2.479 1.197 0.373 0.925 0.550 CB 1.805 41 residues pruned to eliminate duplicates Z: 109 102.521 2.566 1.181 0.512 0.944 0.602 CB 1.846 109 residues pruned to eliminate duplicates Z: 106 105.939 2.574 1.193 0.523 0.962 0.619 CB 1.862 106 residues pruned to eliminate duplicates Z: 79 86.116 2.514 1.042 0.585 0.936 0.667 CB 1.870 79 residues pruned to eliminate duplicates Z: 49 51.006 2.497 1.109 0.398 0.854 0.625 CB 1.824 49 residues pruned to eliminate duplicates Z: 108 103.302 2.543 1.201 0.524 0.935 0.654 CB 1.865 108 residues pruned to eliminate duplicates Z: 54 48.734 2.438 1.111 0.358 0.887 0.528 CB 1.710 54 residues pruned to eliminate duplicates Z: 171 112.751 2.546 1.106 0.502 0.906 0.641 CB 1.777 171 residues pruned to eliminate duplicates Z: 80 86.797 2.532 1.171 0.555 0.924 0.633 CB 1.822 80 residues pruned to eliminate duplicates Z: 70 88.484 2.587 1.119 0.583 0.957 0.797 CB 1.875 70 residues pruned to eliminate duplicates Z: 122 93.261 2.528 1.044 0.546 0.901 0.653 CB 1.742 122 residues pruned to eliminate duplicates Z: 108 100.885 2.573 1.176 0.516 0.935 0.598 CB 1.834 108 residues pruned to eliminate duplicates Z: 70 85.907 2.579 1.063 0.566 0.971 0.710 CB 1.878 70 residues pruned to eliminate duplicates Z: 60 86.948 2.607 1.111 0.642 0.949 0.746 CB 1.898 60 residues pruned to eliminate duplicates Z: 82 90.515 2.514 1.063 0.576 0.963 0.667 CB 1.871 82 residues pruned to eliminate duplicates Z: 79 64.679 2.420 1.096 0.421 0.923 0.577 CB 1.698 79 residues pruned to eliminate duplicates Z: 39 45.643 2.438 0.904 0.506 0.921 0.658 CB 1.721 39 residues pruned to eliminate duplicates Z: 109 100.665 2.569 1.188 0.522 0.926 0.639 CB 1.821 109 residues pruned to eliminate duplicates Z: 70 83.568 2.565 1.114 0.564 0.957 0.652 CB 1.823 70 residues pruned to eliminate duplicates Z: 70 86.422 2.578 1.127 0.572 0.957 0.667 CB 1.850 70 residues pruned to eliminate duplicates Z: 72 82.098 2.542 1.165 0.555 0.930 0.620 CB 1.805 72 residues pruned to eliminate duplicates Z: 105 101.879 2.559 1.155 0.532 0.952 0.654 CB 1.843 105 residues pruned to eliminate duplicates Z: 108 98.772 2.551 1.187 0.508 0.925 0.664 CB 1.835 108 residues pruned to eliminate duplicates Z: 61 80.869 2.575 1.059 0.621 0.933 0.700 CB 1.882 61 residues pruned to eliminate duplicates Z: 70 89.847 2.551 1.139 0.593 0.971 0.681 CB 1.868 70 residues pruned to eliminate duplicates Z: 71 80.426 2.520 1.020 0.549 0.957 0.657 CB 1.880 71 residues pruned to eliminate duplicates Z: 69 87.341 2.604 1.148 0.591 0.941 0.676 CB 1.844 69 residues pruned to eliminate duplicates Z: 108 98.530 2.563 1.191 0.506 0.935 0.626 CB 1.804 108 residues pruned to eliminate duplicates Z: 108 100.389 2.557 1.199 0.523 0.925 0.589 CB 1.824 108 residues pruned to eliminate duplicates Z: 83 92.460 2.548 1.206 0.563 0.951 0.634 CB 1.797 83 residues pruned to eliminate duplicates Z: 69 90.139 2.596 1.091 0.589 0.971 0.735 CB 1.906 69 residues pruned to eliminate duplicates Z: 108 81.443 2.450 1.068 0.484 0.925 0.617 CB 1.707 17 residues pruned to eliminate duplicates Z: 6 5.173 1.955 0.677 0.320 0.600 0.600 CA 1.435 6 residues pruned to eliminate duplicates Z: 70 85.193 2.563 1.053 0.578 0.957 0.609 CB 1.891 43 residues pruned to eliminate duplicates Z: 7 10.151 2.058 0.799 0.425 0.833 0.500 CA 1.452 7 residues pruned to eliminate duplicates Z: 70 90.369 2.587 1.142 0.588 0.971 0.681 CB 1.859 70 residues pruned to eliminate duplicates Z: 6 3.887 2.006 0.620 0.229 0.800 0.800 CA 0.916 6 residues pruned to eliminate duplicates Z: 83 87.896 2.507 1.116 0.550 0.963 0.646 CB 1.808 70 residues pruned to eliminate duplicates Z: 6 11.992 1.994 1.034 0.414 1.000 0.600 CA 1.447 6 residues pruned to eliminate duplicates Z: 70 89.076 2.582 1.166 0.592 0.942 0.681 CB 1.863 70 residues pruned to eliminate duplicates Z: 69 91.221 2.603 1.216 0.597 0.941 0.691 CB 1.858 69 residues pruned to eliminate duplicates Z: 70 87.121 2.586 1.091 0.593 0.957 0.638 CB 1.855 70 residues pruned to eliminate duplicates Z: 219 116.809 2.467 1.080 0.494 0.913 0.583 CB 1.699 194 residues pruned to eliminate duplicates Z: 23 73.563 2.684 1.264 0.879 0.955 0.773 CA 1.961 23 residues pruned to eliminate duplicates Z: 110 98.027 2.535 1.175 0.508 0.936 0.624 CB 1.806 110 residues pruned to eliminate duplicates Z: 69 97.718 2.595 1.208 0.612 0.971 0.735 CB 1.916 69 residues pruned to eliminate duplicates Z: 109 99.496 2.546 1.152 0.524 0.935 0.639 CB 1.824 109 residues pruned to eliminate duplicates Z: 107 103.417 2.570 1.140 0.524 0.962 0.698 CB 1.853 107 residues pruned to eliminate duplicates Z: 23 78.285 2.632 1.341 0.902 1.000 0.773 CA 1.932 23 residues pruned to eliminate duplicates Z: 70 90.429 2.561 1.193 0.583 0.957 0.725 CB 1.871 70 residues pruned to eliminate duplicates Z: 109 99.205 2.530 1.155 0.509 0.944 0.620 CB 1.838 109 residues pruned to eliminate duplicates Z: 69 87.990 2.605 1.118 0.583 0.956 0.706 CB 1.869 69 residues pruned to eliminate duplicates Z: 82 94.471 2.553 1.194 0.566 0.938 0.667 CB 1.874 82 residues pruned to eliminate duplicates Z: 108 105.775 2.548 1.220 0.533 0.944 0.720 CB 1.854 108 residues pruned to eliminate duplicates Z: 109 102.108 2.542 1.181 0.523 0.935 0.676 CB 1.853 109 residues pruned to eliminate duplicates Z: 108 105.522 2.551 1.211 0.531 0.953 0.626 CB 1.840 108 residues pruned to eliminate duplicates Z: 71 88.189 2.545 1.130 0.576 0.971 0.700 CB 1.860 71 residues pruned to eliminate duplicates Z: 108 102.667 2.556 1.245 0.514 0.916 0.692 CB 1.862 108 residues pruned to eliminate duplicates Z: 83 88.888 2.535 1.184 0.542 0.939 0.671 CB 1.813 83 residues pruned to eliminate duplicates Z: 108 102.544 2.556 1.236 0.521 0.925 0.626 CB 1.837 108 residues pruned to eliminate duplicates Z: 69 91.532 2.600 1.202 0.608 0.941 0.706 CB 1.858 69 residues pruned to eliminate duplicates Z: 139 93.414 2.481 1.040 0.506 0.899 0.616 CB 1.738 139 residues pruned to eliminate duplicates Z: 69 87.425 2.569 1.134 0.587 0.956 0.750 CB 1.862 69 residues pruned to eliminate duplicates Z: 108 105.282 2.565 1.242 0.529 0.935 0.598 CB 1.840 108 residues pruned to eliminate duplicates Z: 107 107.138 2.582 1.251 0.531 0.934 0.689 CB 1.860 107 residues pruned to eliminate duplicates Z: 6 11.507 2.057 1.251 0.354 1.000 0.600 CB 1.302 6 residues pruned to eliminate duplicates Z: 70 91.622 2.550 1.211 0.594 0.971 0.725 CB 1.842 70 residues pruned to eliminate duplicates Z: 81 91.057 2.531 1.170 0.563 0.950 0.700 CB 1.836 81 residues pruned to eliminate duplicates Z: 69 90.647 2.588 1.157 0.592 0.971 0.691 CB 1.859 69 residues pruned to eliminate duplicates Z: 72 81.718 2.508 1.146 0.560 0.930 0.620 CB 1.829 72 residues pruned to eliminate duplicates Z: 96 51.960 2.401 0.877 0.389 0.832 0.505 CB 1.600 96 residues pruned to eliminate duplicates Z: 146 98.582 2.523 1.088 0.514 0.897 0.614 CB 1.710 146 residues pruned to eliminate duplicates Z: 185 116.823 2.513 1.116 0.499 0.924 0.652 CB 1.755 185 residues pruned to eliminate duplicates Z: 180 111.190 2.512 1.102 0.496 0.927 0.592 CB 1.705 180 residues pruned to eliminate duplicates Z: 156 113.622 2.557 1.115 0.514 0.923 0.671 CB 1.804 156 residues pruned to eliminate duplicates Z: 50 51.939 2.463 0.985 0.553 0.898 0.735 CB 1.605 50 residues pruned to eliminate duplicates Z: 51 51.150 2.506 0.909 0.518 0.880 0.660 CB 1.688 51 residues pruned to eliminate duplicates Z: 41 56.508 2.537 1.002 0.577 0.925 0.725 CB 1.765 41 residues pruned to eliminate duplicates Z: 78 54.758 2.428 0.994 0.469 0.844 0.610 CB 1.576 78 residues pruned to eliminate duplicates Z: 170 109.130 2.524 1.106 0.502 0.899 0.663 CB 1.753 170 residues pruned to eliminate duplicates Z: 121 91.517 2.501 0.967 0.553 0.917 0.642 CB 1.760 121 residues pruned to eliminate duplicates Z: 29 43.978 2.618 0.918 0.550 0.929 0.607 CB 1.698 29 residues pruned to eliminate duplicates Z: 78 53.473 2.424 0.907 0.449 0.857 0.558 CB 1.620 78 residues pruned to eliminate duplicates Z: 49 55.505 2.525 0.897 0.535 0.938 0.688 CB 1.724 49 residues pruned to eliminate duplicates Z: 143 107.932 2.514 1.124 0.532 0.937 0.655 CB 1.755 143 residues pruned to eliminate duplicates Z: 66 53.603 2.435 1.027 0.477 0.877 0.600 CB 1.573 66 residues pruned to eliminate duplicates Z: 62 51.381 2.451 0.904 0.511 0.885 0.623 CB 1.575 62 residues pruned to eliminate duplicates Z: 63 51.442 2.446 0.945 0.510 0.855 0.581 CB 1.590 63 residues pruned to eliminate duplicates Z: 28 45.013 2.634 1.003 0.556 0.926 0.667 CB 1.678 28 residues pruned to eliminate duplicates Z: 156 114.030 2.549 1.162 0.519 0.910 0.639 CB 1.794 156 residues pruned to eliminate duplicates Z: 60 48.003 2.392 0.968 0.476 0.881 0.661 CB 1.543 60 residues pruned to eliminate duplicates Z: 84 46.792 2.297 0.899 0.432 0.855 0.590 CB 1.477 84 residues pruned to eliminate duplicates Z: 50 39.094 2.356 0.879 0.446 0.837 0.469 CB 1.593 50 residues pruned to eliminate duplicates Z: 46 47.914 2.467 1.066 0.519 0.867 0.644 CB 1.587 46 residues pruned to eliminate duplicates Z: 52 56.162 2.488 1.125 0.537 0.882 0.588 CB 1.626 52 residues pruned to eliminate duplicates Z: 53 44.874 2.409 0.995 0.489 0.827 0.462 CB 1.584 53 residues pruned to eliminate duplicates Z: 44 51.283 2.508 1.042 0.551 0.907 0.628 CB 1.602 44 residues pruned to eliminate duplicates Z: 80 51.963 2.400 1.015 0.459 0.835 0.582 CB 1.508 80 residues pruned to eliminate duplicates Z: 46 37.211 2.376 0.833 0.420 0.867 0.556 CB 1.598 46 residues pruned to eliminate duplicates Z: 44 47.801 2.517 0.981 0.528 0.884 0.628 CB 1.609 44 residues pruned to eliminate duplicates Z: 51 49.793 2.497 1.023 0.523 0.880 0.640 CB 1.548 51 residues pruned to eliminate duplicates Z: 111 97.722 2.564 1.054 0.551 0.927 0.718 CB 1.815 111 residues pruned to eliminate duplicates Z: 52 51.668 2.506 1.059 0.517 0.863 0.647 CB 1.598 52 residues pruned to eliminate duplicates Z: 47 51.370 2.553 0.925 0.547 0.913 0.674 CB 1.612 47 residues pruned to eliminate duplicates Z: 98 56.386 2.333 0.991 0.440 0.887 0.598 CB 1.479 98 residues pruned to eliminate duplicates Z: 78 56.520 2.453 1.037 0.453 0.844 0.584 CB 1.602 78 residues pruned to eliminate duplicates Z: 50 52.956 2.523 1.054 0.533 0.878 0.592 CB 1.610 50 residues pruned to eliminate duplicates Z: 34 32.604 2.367 0.822 0.450 0.879 0.636 CB 1.576 34 residues pruned to eliminate duplicates Z: 51 51.026 2.492 0.966 0.529 0.900 0.640 CB 1.591 51 residues pruned to eliminate duplicates Z: 47 41.298 2.413 0.849 0.489 0.870 0.674 CB 1.586 47 residues pruned to eliminate duplicates Z: 185 109.756 2.485 1.083 0.499 0.913 0.625 CB 1.715 185 residues pruned to eliminate duplicates Z: 53 55.325 2.476 0.940 0.533 0.923 0.596 CB 1.675 53 residues pruned to eliminate duplicates Z: 32 29.447 2.386 0.671 0.464 0.871 0.710 CB 1.581 32 residues pruned to eliminate duplicates Z: 46 34.693 2.375 0.766 0.429 0.867 0.622 CB 1.531 46 residues pruned to eliminate duplicates Z: 46 36.269 2.363 0.781 0.442 0.889 0.578 CB 1.534 46 residues pruned to eliminate duplicates Z: 10 8.963 2.097 0.410 0.474 0.667 0.556 CB 1.556 10 residues pruned to eliminate duplicates Z: 53 48.216 2.466 0.907 0.508 0.865 0.654 CB 1.630 53 residues pruned to eliminate duplicates Z: 220 114.149 2.454 1.082 0.484 0.913 0.566 CB 1.680 220 residues pruned to eliminate duplicates Z: 23 23.133 2.310 0.859 0.420 0.864 0.682 CB 1.445 23 residues pruned to eliminate duplicates Z: 63 57.116 2.442 1.072 0.510 0.903 0.629 CB 1.572 63 residues pruned to eliminate duplicates Z: 183 113.665 2.502 1.146 0.513 0.907 0.615 CB 1.709 183 residues pruned to eliminate duplicates Z: 53 54.438 2.490 1.000 0.528 0.865 0.635 CB 1.704 53 residues pruned to eliminate duplicates Z: 62 42.373 2.301 0.991 0.418 0.902 0.541 CB 1.431 62 residues pruned to eliminate duplicates Z: 36 28.078 2.278 1.019 0.371 0.829 0.457 CB 1.430 36 residues pruned to eliminate duplicates Z: 12 15.149 2.285 0.802 0.337 0.818 0.545 CB 1.619 12 residues pruned to eliminate duplicates Z: 64 42.256 2.263 1.016 0.405 0.889 0.492 CB 1.451 64 residues pruned to eliminate duplicates Z: 69 38.358 2.306 0.844 0.370 0.853 0.485 CB 1.475 69 residues pruned to eliminate duplicates Z: 180 109.538 2.495 1.086 0.488 0.916 0.631 CB 1.739 180 residues pruned to eliminate duplicates Z: 27 23.557 2.284 0.881 0.383 0.846 0.423 CB 1.440 27 residues pruned to eliminate duplicates Z: 31 18.451 2.134 0.883 0.321 0.767 0.433 CB 1.332 31 residues pruned to eliminate duplicates Z: 28 25.556 2.316 0.895 0.357 0.889 0.519 CB 1.472 28 residues pruned to eliminate duplicates Z: 36 18.678 2.010 0.720 0.332 0.829 0.429 CB 1.325 36 residues pruned to eliminate duplicates Z: 112 63.993 2.366 0.945 0.457 0.901 0.586 CB 1.532 112 residues pruned to eliminate duplicates Z: 63 39.589 2.266 0.899 0.423 0.887 0.516 CB 1.427 63 residues pruned to eliminate duplicates Z: 28 25.202 2.225 0.938 0.423 0.852 0.481 CB 1.431 28 residues pruned to eliminate duplicates Z: 48 36.439 2.176 1.028 0.399 0.894 0.447 CB 1.499 48 residues pruned to eliminate duplicates Z: 54 37.402 2.302 0.915 0.399 0.830 0.547 CB 1.561 54 residues pruned to eliminate duplicates Z: 26 19.801 2.252 0.833 0.321 0.880 0.360 CB 1.328 26 residues pruned to eliminate duplicates Z: 51 34.508 2.310 1.001 0.331 0.820 0.480 CB 1.549 51 residues pruned to eliminate duplicates Z: 29 23.274 2.210 1.103 0.337 0.857 0.536 CB 1.319 29 residues pruned to eliminate duplicates Z: 16 20.071 2.312 1.265 0.318 0.867 0.400 CB 1.395 16 residues pruned to eliminate duplicates Z: 25 21.827 2.231 1.023 0.333 0.792 0.458 CB 1.496 25 residues pruned to eliminate duplicates Z: 26 22.631 2.269 0.987 0.327 0.880 0.560 CB 1.380 26 residues pruned to eliminate duplicates Z: 9 4.568 2.053 0.556 0.161 0.625 0.250 CB 1.224 9 residues pruned to eliminate duplicates Z: 94 56.861 2.393 1.051 0.416 0.860 0.516 CB 1.525 94 residues pruned to eliminate duplicates Z: 10 4.810 1.885 0.408 0.187 0.889 0.333 CB 0.989 10 residues pruned to eliminate duplicates Z: 39 21.441 2.162 0.874 0.279 0.763 0.447 CB 1.444 39 residues pruned to eliminate duplicates Z: 17 14.415 2.178 1.172 0.279 0.750 0.438 CB 1.304 17 residues pruned to eliminate duplicates Z: 63 40.871 2.290 1.129 0.430 0.823 0.484 CB 1.392 63 residues pruned to eliminate duplicates Z: 50 35.460 2.282 1.009 0.431 0.837 0.531 CB 1.419 50 residues pruned to eliminate duplicates Z: 39 31.462 2.198 1.030 0.452 0.868 0.526 CB 1.383 39 residues pruned to eliminate duplicates Z: 53 35.591 2.238 0.979 0.407 0.885 0.500 CB 1.389 53 residues pruned to eliminate duplicates Z: 112 66.218 2.396 1.052 0.472 0.865 0.604 CB 1.521 112 residues pruned to eliminate duplicates Z: 37 37.560 2.237 1.104 0.527 0.917 0.444 CB 1.412 37 residues pruned to eliminate duplicates Z: 7 3.407 1.364 0.236 0.403 1.000 0.500 CB 0.914 7 residues pruned to eliminate duplicates Z: 51 40.332 2.270 1.089 0.440 0.880 0.500 CB 1.453 51 residues pruned to eliminate duplicates Z: 65 38.027 2.253 0.964 0.397 0.891 0.453 CB 1.343 65 residues pruned to eliminate duplicates Z: 38 34.601 2.219 1.083 0.470 0.919 0.568 CB 1.381 38 residues pruned to eliminate duplicates Z: 57 35.332 2.192 1.061 0.407 0.893 0.536 CB 1.291 57 residues pruned to eliminate duplicates Z: 115 63.753 2.361 0.986 0.462 0.886 0.614 CB 1.494 115 residues pruned to eliminate duplicates Z: 65 35.069 2.233 0.897 0.390 0.859 0.500 CB 1.352 65 residues pruned to eliminate duplicates Z: 25 30.943 2.297 0.850 0.537 0.875 0.542 CB 1.638 25 residues pruned to eliminate duplicates Z: 37 32.339 2.193 0.946 0.509 0.889 0.583 CB 1.408 37 residues pruned to eliminate duplicates Z: 25 34.587 2.309 1.015 0.596 0.875 0.667 CB 1.583 25 residues pruned to eliminate duplicates Z: 27 24.957 2.015 0.973 0.493 0.885 0.500 CB 1.402 27 residues pruned to eliminate duplicates Z: 99 53.901 2.299 1.041 0.420 0.878 0.541 CB 1.437 99 residues pruned to eliminate duplicates Z: 97 56.182 2.343 0.992 0.436 0.885 0.604 CB 1.482 97 residues pruned to eliminate duplicates Z: 38 34.120 2.225 1.060 0.473 0.919 0.486 CB 1.368 38 residues pruned to eliminate duplicates Z: 25 27.496 2.178 1.131 0.508 0.917 0.500 CB 1.308 25 residues pruned to eliminate duplicates Z: 66 41.825 2.248 1.110 0.398 0.862 0.477 CB 1.414 66 residues pruned to eliminate duplicates Z: 28 29.282 2.205 1.057 0.520 0.852 0.481 CB 1.430 28 residues pruned to eliminate duplicates Z: 59 38.749 2.262 0.985 0.402 0.845 0.534 CB 1.487 59 residues pruned to eliminate duplicates Z: 103 56.619 2.363 0.964 0.435 0.882 0.500 CB 1.464 103 residues pruned to eliminate duplicates Z: 14 20.433 2.309 0.891 0.461 0.846 0.769 CB 1.595 14 residues pruned to eliminate duplicates Z: 14 17.568 2.288 0.853 0.417 0.846 0.769 CB 1.481 14 residues pruned to eliminate duplicates Z: 53 38.020 2.227 1.110 0.413 0.885 0.558 CB 1.389 53 residues pruned to eliminate duplicates Z: 65 41.415 2.264 1.092 0.391 0.875 0.547 CB 1.402 65 residues pruned to eliminate duplicates Z: 25 33.550 2.318 0.967 0.553 0.875 0.667 CB 1.630 25 residues pruned to eliminate duplicates Z: 65 44.603 2.274 1.096 0.393 0.906 0.516 CB 1.445 65 residues pruned to eliminate duplicates 434 residues left after pruning, divided into chains as follows: A: 48 B: 170 C: 62 D: 154 CC for partial structure against native data = 45.16 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.777, Connect. = 0.776 for dens.mod. cycle 1 = 0.300, Contrast = 0.888, Connect. = 0.803 for dens.mod. cycle 2 = 0.300, Contrast = 1.098, Connect. = 0.826 for dens.mod. cycle 3 = 0.300, Contrast = 1.130, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 1.158, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 1.165, Connect. = 0.831 for dens.mod. cycle 6 = 0.300, Contrast = 1.175, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.176, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.180, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.179, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2778 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 600 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 53 58.667 2.580 1.145 0.504 0.865 0.654 CB 1.693 B: 22 63.927 2.681 0.872 0.910 1.000 0.905 CA 1.971 C: 23 69.354 2.689 1.178 0.878 0.955 0.818 CA 1.920 D: 23 63.240 2.683 0.972 0.913 1.000 0.909 CA 1.804 23 residues pruned to eliminate duplicates E: 24 52.214 2.552 0.739 0.902 0.957 0.957 CB 1.830 23 residues pruned to eliminate duplicates F: 23 57.606 2.628 0.728 0.934 1.000 0.864 CA 1.886 24 residues pruned to eliminate duplicates G: 104 78.315 2.525 1.087 0.466 0.913 0.612 CB 1.661 53 residues pruned to eliminate duplicates H: 23 68.266 2.654 0.996 0.917 1.000 0.864 CA 1.938 23 residues pruned to eliminate duplicates I: 23 70.622 2.667 1.099 0.899 1.000 0.682 CA 1.922 23 residues pruned to eliminate duplicates J: 52 54.428 2.531 1.040 0.515 0.824 0.510 CB 1.766 52 residues pruned to eliminate duplicates K: 23 64.163 2.678 1.056 0.897 0.955 0.636 CA 1.864 23 residues pruned to eliminate duplicates L: 53 58.226 2.591 0.999 0.493 0.904 0.635 CB 1.737 53 residues pruned to eliminate duplicates M: 17 42.716 2.318 1.132 0.882 1.000 0.750 CA 1.564 N: 23 75.158 2.671 1.175 0.915 1.000 0.545 CA 1.949 23 residues pruned to eliminate duplicates O: 23 55.756 2.633 0.776 0.908 0.955 0.773 CA 1.891 23 residues pruned to eliminate duplicates P: 22 65.065 2.736 0.920 0.905 1.000 0.857 CA 1.924 22 residues pruned to eliminate duplicates Q: 29 25.022 2.391 1.035 0.342 0.750 0.464 CB 1.539 29 residues pruned to eliminate duplicates R: 14 48.335 2.552 1.234 0.895 1.000 0.615 CB 1.686 14 residues pruned to eliminate duplicates S: 23 58.580 2.662 0.904 0.917 0.955 0.864 CA 1.821 23 residues pruned to eliminate duplicates T: 24 50.985 2.634 0.726 0.878 0.957 0.870 CA 1.775 24 residues pruned to eliminate duplicates U: 15 44.357 2.607 1.371 0.818 0.929 0.714 CB 1.567 15 residues pruned to eliminate duplicates V: 16 43.790 2.490 1.395 0.886 0.867 0.733 CB 1.578 16 residues pruned to eliminate duplicates W: 16 35.541 2.491 0.963 0.853 0.933 0.733 CB 1.486 16 residues pruned to eliminate duplicates X: 15 41.457 2.582 1.345 0.831 0.929 0.786 CB 1.480 15 residues pruned to eliminate duplicates Y: 22 61.632 2.635 0.993 0.926 0.952 0.905 CA 1.887 22 residues pruned to eliminate duplicates Z: 24 54.370 2.539 0.742 0.915 1.000 0.826 CA 1.812 23 residues pruned to eliminate duplicates Z: 23 56.446 2.618 0.691 0.929 1.000 0.818 CA 1.902 23 residues pruned to eliminate duplicates Z: 14 37.061 2.450 0.934 0.918 1.000 0.769 CB 1.530 14 residues pruned to eliminate duplicates Z: 14 46.065 2.617 1.400 0.845 0.923 0.846 CB 1.638 14 residues pruned to eliminate duplicates Z: 23 59.994 2.645 0.793 0.918 1.000 0.864 CA 1.902 23 residues pruned to eliminate duplicates Z: 24 64.833 2.562 1.077 0.919 1.000 0.696 CB 1.791 24 residues pruned to eliminate duplicates Z: 22 77.575 2.745 1.182 0.919 1.000 0.571 CA 1.992 23 residues pruned to eliminate duplicates Z: 15 41.633 2.519 0.970 0.885 0.929 0.714 CA 1.744 15 residues pruned to eliminate duplicates Z: 24 59.257 2.575 0.810 0.924 1.000 0.957 CA 1.862 23 residues pruned to eliminate duplicates Z: 23 73.770 2.644 1.225 0.900 1.000 0.773 CA 1.910 22 residues pruned to eliminate duplicates Z: 15 41.588 2.500 1.270 0.774 0.929 0.643 CB 1.655 15 residues pruned to eliminate duplicates Z: 108 90.884 2.511 1.128 0.523 0.916 0.626 CB 1.754 24 residues pruned to eliminate duplicates Z: 23 69.044 2.673 1.007 0.923 1.000 0.818 CA 1.927 23 residues pruned to eliminate duplicates Z: 39 47.450 2.488 0.999 0.400 0.921 0.605 CB 1.866 Z: 68 50.037 2.418 0.929 0.468 0.851 0.552 CB 1.591 17 residues pruned to eliminate duplicates Z: 24 61.143 2.595 0.922 0.922 1.000 0.826 CA 1.797 23 residues pruned to eliminate duplicates Z: 12 17.014 2.100 0.712 0.814 0.909 0.636 CB 1.195 12 residues pruned to eliminate duplicates Z: 23 67.315 2.636 0.949 0.915 1.000 0.909 CA 1.975 23 residues pruned to eliminate duplicates Z: 22 69.849 2.744 1.148 0.912 0.952 0.714 CA 1.923 22 residues pruned to eliminate duplicates Z: 22 63.665 2.682 0.824 0.936 1.000 0.810 CB 1.977 22 residues pruned to eliminate duplicates Z: 23 59.391 2.537 1.005 0.925 0.955 0.682 CB 1.830 23 residues pruned to eliminate duplicates Z: 30 25.782 2.386 0.917 0.313 0.828 0.483 CB 1.554 30 residues pruned to eliminate duplicates Z: 70 79.859 2.544 0.958 0.596 0.971 0.725 CB 1.814 70 residues pruned to eliminate duplicates Z: 11 23.138 2.263 0.718 0.833 1.000 0.700 CB 1.412 11 residues pruned to eliminate duplicates Z: 14 32.055 2.159 1.094 0.744 1.000 0.538 CB 1.580 17 residues pruned to eliminate duplicates Z: 168 100.848 2.486 1.056 0.470 0.916 0.629 CB 1.718 169 residues pruned to eliminate duplicates Z: 133 91.911 2.489 1.031 0.527 0.909 0.614 CB 1.695 81 residues pruned to eliminate duplicates Z: 74 44.350 2.364 1.014 0.361 0.863 0.548 CB 1.466 74 residues pruned to eliminate duplicates Z: 22 73.444 2.727 1.025 0.940 1.000 0.905 CB 2.015 22 residues pruned to eliminate duplicates Z: 39 50.179 2.489 1.194 0.396 0.895 0.658 CB 1.860 39 residues pruned to eliminate duplicates Z: 14 32.962 2.443 0.814 0.899 0.923 0.692 CB 1.596 14 residues pruned to eliminate duplicates Z: 82 93.121 2.525 1.205 0.571 0.951 0.667 CB 1.826 84 residues pruned to eliminate duplicates Z: 15 54.406 2.585 1.309 0.885 1.000 0.786 CA 1.758 15 residues pruned to eliminate duplicates Z: 34 35.997 2.586 0.717 0.444 0.848 0.576 CB 1.763 34 residues pruned to eliminate duplicates Z: 108 100.019 2.552 1.164 0.518 0.925 0.729 CB 1.857 108 residues pruned to eliminate duplicates Z: 70 87.729 2.560 1.132 0.592 0.942 0.681 CB 1.882 70 residues pruned to eliminate duplicates Z: 23 73.504 2.656 1.176 0.919 1.000 0.682 CA 1.911 23 residues pruned to eliminate duplicates Z: 107 105.511 2.557 1.224 0.533 0.934 0.651 CB 1.867 107 residues pruned to eliminate duplicates Z: 14 52.440 2.706 1.227 0.867 0.923 0.538 CA 1.913 14 residues pruned to eliminate duplicates Z: 7 19.726 2.353 0.450 0.909 1.000 1.000 CA 1.675 7 residues pruned to eliminate duplicates Z: 40 34.028 2.344 0.940 0.351 0.872 0.538 CB 1.614 40 residues pruned to eliminate duplicates Z: 20 13.159 2.265 0.734 0.289 0.737 0.316 CB 1.322 20 residues pruned to eliminate duplicates Z: 50 49.381 2.403 1.082 0.400 0.918 0.612 CB 1.706 49 residues pruned to eliminate duplicates Z: 24 65.737 2.594 1.125 0.925 1.000 0.739 CA 1.745 24 residues pruned to eliminate duplicates Z: 108 102.270 2.560 1.184 0.518 0.925 0.710 CB 1.878 108 residues pruned to eliminate duplicates Z: 107 83.660 2.513 0.953 0.508 0.915 0.613 CB 1.794 107 residues pruned to eliminate duplicates Z: 22 29.173 2.296 1.121 0.412 0.905 0.524 CB 1.585 22 residues pruned to eliminate duplicates Z: 118 86.237 2.474 0.994 0.535 0.923 0.692 CB 1.691 118 residues pruned to eliminate duplicates Z: 24 56.664 2.561 0.728 0.914 1.000 0.826 CA 1.888 24 residues pruned to eliminate duplicates Z: 107 88.645 2.493 1.111 0.481 0.943 0.670 CB 1.768 107 residues pruned to eliminate duplicates Z: 23 35.236 2.382 1.039 0.566 0.909 0.500 CB 1.596 23 residues pruned to eliminate duplicates Z: 70 79.151 2.530 0.973 0.604 0.942 0.710 CB 1.836 70 residues pruned to eliminate duplicates Z: 15 37.982 2.538 1.060 0.771 0.857 0.643 CB 1.781 15 residues pruned to eliminate duplicates Z: 24 69.621 2.603 1.113 0.920 1.000 0.696 CA 1.859 24 residues pruned to eliminate duplicates Z: 78 57.089 2.414 0.973 0.473 0.896 0.584 CB 1.567 74 residues pruned to eliminate duplicates Z: 16 28.800 2.305 1.038 0.793 0.867 0.600 CB 1.412 16 residues pruned to eliminate duplicates Z: 19 17.836 2.091 0.765 0.425 0.833 0.278 CA 1.477 19 residues pruned to eliminate duplicates Z: 53 59.882 2.598 1.104 0.510 0.865 0.538 CB 1.737 53 residues pruned to eliminate duplicates Z: 15 46.148 2.562 1.444 0.776 0.929 0.714 CB 1.662 15 residues pruned to eliminate duplicates Z: 71 84.076 2.557 1.141 0.582 0.943 0.586 CB 1.798 71 residues pruned to eliminate duplicates Z: 37 47.117 2.476 1.167 0.411 0.917 0.583 CB 1.752 37 residues pruned to eliminate duplicates Z: 14 29.805 2.140 0.958 0.737 1.000 0.846 CB 1.595 14 residues pruned to eliminate duplicates Z: 39 50.865 2.501 1.204 0.395 0.895 0.658 CB 1.869 39 residues pruned to eliminate duplicates Z: 71 87.297 2.541 1.087 0.572 0.957 0.614 CB 1.917 71 residues pruned to eliminate duplicates Z: 109 87.399 2.494 1.032 0.505 0.954 0.593 CB 1.730 109 residues pruned to eliminate duplicates Z: 13 33.254 2.237 1.100 0.760 1.000 0.500 CA 1.621 13 residues pruned to eliminate duplicates Z: 12 25.126 2.072 0.894 0.804 1.000 0.909 CB 1.481 Z: 109 87.236 2.480 0.978 0.499 0.981 0.630 CB 1.745 109 residues pruned to eliminate duplicates Z: 30 37.915 2.537 0.886 0.526 0.828 0.517 CB 1.733 30 residues pruned to eliminate duplicates Z: 38 57.030 2.515 1.235 0.407 0.946 0.622 CB 1.943 39 residues pruned to eliminate duplicates Z: 58 79.970 2.554 1.071 0.616 0.965 0.719 CB 1.860 58 residues pruned to eliminate duplicates Z: 6 9.005 1.908 0.960 0.434 0.800 0.600 O 1.441 6 residues pruned to eliminate duplicates Z: 13 12.563 2.256 0.576 0.386 0.917 0.667 CB 1.256 13 residues pruned to eliminate duplicates Z: 6 13.024 2.069 1.111 0.573 0.800 0.800 CB 1.553 6 residues pruned to eliminate duplicates Z: 14 43.822 2.628 0.990 0.923 1.000 0.692 CB 1.633 14 residues pruned to eliminate duplicates Z: 14 38.080 2.437 0.960 0.925 1.000 0.615 CB 1.552 14 residues pruned to eliminate duplicates Z: 9 25.617 2.518 0.580 0.871 1.000 0.875 CA 1.660 9 residues pruned to eliminate duplicates Z: 6 9.323 2.229 0.144 0.736 1.000 0.600 CA 1.323 6 residues pruned to eliminate duplicates Z: 156 107.762 2.523 1.056 0.524 0.923 0.690 CB 1.768 156 residues pruned to eliminate duplicates Z: 69 82.846 2.572 1.043 0.586 0.971 0.676 CB 1.813 69 residues pruned to eliminate duplicates Z: 35 38.513 2.451 1.152 0.460 0.882 0.559 CB 1.479 24 residues pruned to eliminate duplicates Z: 108 90.176 2.522 1.033 0.513 0.935 0.664 CB 1.797 109 residues pruned to eliminate duplicates Z: 32 46.336 2.596 0.965 0.500 0.903 0.742 CB 1.806 32 residues pruned to eliminate duplicates Z: 29 42.054 2.392 0.973 0.525 0.929 0.750 CB 1.769 29 residues pruned to eliminate duplicates Z: 108 88.185 2.520 1.058 0.514 0.925 0.692 CB 1.752 108 residues pruned to eliminate duplicates Z: 23 49.589 2.604 0.523 0.908 1.000 0.727 CB 1.894 23 residues pruned to eliminate duplicates Z: 14 27.586 2.149 1.042 0.738 0.923 0.615 CB 1.526 14 residues pruned to eliminate duplicates Z: 11 22.281 2.168 0.833 0.830 1.000 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 109 97.930 2.547 1.104 0.524 0.926 0.639 CB 1.855 109 residues pruned to eliminate duplicates Z: 109 86.655 2.521 1.014 0.505 0.944 0.630 CB 1.731 109 residues pruned to eliminate duplicates Z: 23 54.834 2.597 0.696 0.926 1.000 0.818 CB 1.862 23 residues pruned to eliminate duplicates Z: 30 21.368 2.206 0.825 0.231 0.828 0.517 CA 1.630 30 residues pruned to eliminate duplicates Z: 16 41.903 2.486 1.203 0.777 0.933 0.733 CB 1.658 16 residues pruned to eliminate duplicates Z: 10 25.023 2.278 0.797 0.887 1.000 0.889 CB 1.469 10 residues pruned to eliminate duplicates Z: 24 52.243 2.583 0.787 0.903 1.000 0.826 CA 1.682 24 residues pruned to eliminate duplicates Z: 24 63.640 2.547 0.999 0.939 0.957 0.739 CB 1.894 24 residues pruned to eliminate duplicates Z: 108 93.755 2.540 1.102 0.520 0.925 0.636 CB 1.799 108 residues pruned to eliminate duplicates Z: 68 76.271 2.524 0.973 0.602 0.940 0.761 CB 1.805 68 residues pruned to eliminate duplicates Z: 33 33.187 2.380 0.828 0.476 0.938 0.625 CB 1.473 33 residues pruned to eliminate duplicates Z: 16 33.439 2.377 0.750 0.842 1.000 0.800 CB 1.546 16 residues pruned to eliminate duplicates Z: 10 27.689 2.519 1.060 0.474 1.000 0.667 CB 1.826 10 residues pruned to eliminate duplicates Z: 56 43.636 2.389 0.908 0.419 0.855 0.582 CB 1.644 56 residues pruned to eliminate duplicates Z: 34 23.733 2.142 0.938 0.346 0.818 0.394 CB 1.437 34 residues pruned to eliminate duplicates Z: 110 90.971 2.509 1.107 0.507 0.936 0.688 CB 1.749 109 residues pruned to eliminate duplicates Z: 49 50.051 2.445 1.075 0.389 0.938 0.667 CB 1.708 50 residues pruned to eliminate duplicates Z: 68 89.931 2.571 1.155 0.605 0.970 0.642 CB 1.850 68 residues pruned to eliminate duplicates Z: 13 27.227 2.144 0.930 0.796 0.917 0.583 CB 1.599 13 residues pruned to eliminate duplicates Z: 69 84.214 2.535 1.069 0.609 0.926 0.706 CB 1.894 69 residues pruned to eliminate duplicates Z: 47 30.257 2.324 0.719 0.416 0.826 0.609 CB 1.476 47 residues pruned to eliminate duplicates Z: 49 46.640 2.427 1.024 0.367 0.917 0.604 CB 1.724 49 residues pruned to eliminate duplicates Z: 134 100.842 2.570 1.032 0.537 0.910 0.632 CB 1.774 134 residues pruned to eliminate duplicates Z: 50 50.044 2.406 1.155 0.414 0.898 0.551 CB 1.681 50 residues pruned to eliminate duplicates Z: 70 82.606 2.580 1.097 0.585 0.928 0.667 CB 1.826 70 residues pruned to eliminate duplicates Z: 47 71.387 2.705 1.046 0.584 0.935 0.674 CB 1.877 47 residues pruned to eliminate duplicates Z: 49 49.950 2.426 1.136 0.392 0.896 0.542 CB 1.741 50 residues pruned to eliminate duplicates Z: 11 24.661 2.155 0.977 0.805 1.000 0.700 CA 1.403 11 residues pruned to eliminate duplicates Z: 70 83.330 2.574 1.075 0.582 0.928 0.667 CB 1.872 70 residues pruned to eliminate duplicates Z: 70 68.197 2.531 0.861 0.566 0.913 0.739 CB 1.791 70 residues pruned to eliminate duplicates Z: 70 78.411 2.529 0.968 0.590 0.957 0.681 CB 1.819 70 residues pruned to eliminate duplicates Z: 16 55.909 2.520 1.446 0.847 0.933 0.733 CA 1.862 16 residues pruned to eliminate duplicates Z: 12 29.635 2.354 0.893 0.845 0.909 0.636 CA 1.641 12 residues pruned to eliminate duplicates Z: 12 14.421 2.211 1.027 0.350 0.818 0.364 CB 1.394 12 residues pruned to eliminate duplicates Z: 34 39.776 2.472 1.137 0.512 0.909 0.576 CB 1.425 35 residues pruned to eliminate duplicates Z: 26 26.363 2.333 0.976 0.512 0.800 0.680 CB 1.413 26 residues pruned to eliminate duplicates Z: 69 69.331 2.498 0.978 0.553 0.926 0.706 CB 1.743 69 residues pruned to eliminate duplicates Z: 13 25.174 2.185 0.962 0.781 0.917 0.750 CA 1.443 13 residues pruned to eliminate duplicates Z: 128 96.118 2.498 1.047 0.505 0.953 0.693 CB 1.742 128 residues pruned to eliminate duplicates Z: 59 45.824 2.402 0.936 0.490 0.828 0.638 CB 1.579 59 residues pruned to eliminate duplicates Z: 24 23.623 2.161 0.801 0.407 0.826 0.609 CB 1.688 24 residues pruned to eliminate duplicates Z: 23 66.671 2.624 0.926 0.931 1.000 0.818 CA 1.965 23 residues pruned to eliminate duplicates Z: 24 69.878 2.612 1.054 0.928 1.000 0.652 CA 1.902 24 residues pruned to eliminate duplicates Z: 8 21.112 2.482 0.396 0.916 1.000 1.000 CB 1.627 8 residues pruned to eliminate duplicates Z: 26 39.832 2.514 1.121 0.578 0.840 0.560 CB 1.651 26 residues pruned to eliminate duplicates Z: 13 19.483 2.011 0.773 0.748 0.917 0.583 CB 1.379 13 residues pruned to eliminate duplicates Z: 29 33.561 2.416 0.846 0.382 0.929 0.571 CB 1.735 29 residues pruned to eliminate duplicates Z: 37 41.186 2.394 1.198 0.508 0.889 0.556 CB 1.456 34 residues pruned to eliminate duplicates Z: 14 28.844 2.142 1.078 0.759 0.923 0.615 CB 1.547 14 residues pruned to eliminate duplicates Z: 6 4.657 1.777 0.057 0.532 0.800 0.600 CB 1.343 6 residues pruned to eliminate duplicates Z: 14 11.882 2.082 0.603 0.443 0.846 0.385 CB 1.237 Z: 21 48.713 2.678 1.475 0.644 0.850 0.650 CB 1.690 21 residues pruned to eliminate duplicates Z: 82 82.664 2.489 1.028 0.572 0.951 0.630 CB 1.785 82 residues pruned to eliminate duplicates Z: 40 49.193 2.447 1.161 0.397 0.923 0.538 CB 1.798 40 residues pruned to eliminate duplicates Z: 27 57.399 2.733 1.209 0.618 0.923 0.692 CB 1.807 27 residues pruned to eliminate duplicates Z: 83 81.146 2.474 1.076 0.551 0.939 0.598 CB 1.767 83 residues pruned to eliminate duplicates Z: 8 9.711 2.278 0.745 0.274 0.857 0.286 CA 1.391 8 residues pruned to eliminate duplicates Z: 13 30.450 2.297 0.832 0.787 1.000 0.500 CA 1.623 13 residues pruned to eliminate duplicates Z: 12 33.067 2.415 0.797 0.810 1.000 0.727 CA 1.753 12 residues pruned to eliminate duplicates Z: 70 86.984 2.568 1.095 0.584 0.957 0.667 CB 1.878 70 residues pruned to eliminate duplicates Z: 49 46.540 2.467 0.866 0.515 0.875 0.667 CB 1.642 49 residues pruned to eliminate duplicates Z: 109 89.715 2.504 1.105 0.516 0.935 0.630 CB 1.725 109 residues pruned to eliminate duplicates Z: 51 40.519 2.273 0.966 0.475 0.920 0.600 CB 1.430 41 residues pruned to eliminate duplicates Z: 23 60.693 2.612 0.846 0.903 1.000 0.818 CB 1.913 23 residues pruned to eliminate duplicates Z: 30 33.449 2.407 0.980 0.350 0.897 0.586 CB 1.710 30 residues pruned to eliminate duplicates Z: 107 92.596 2.506 1.158 0.476 0.925 0.623 CB 1.843 107 residues pruned to eliminate duplicates Z: 72 80.544 2.541 1.116 0.556 0.944 0.620 CB 1.783 72 residues pruned to eliminate duplicates Z: 11 22.225 2.139 0.619 0.792 1.000 0.800 CB 1.570 11 residues pruned to eliminate duplicates Z: 23 69.974 2.670 1.011 0.926 1.000 0.727 CA 1.948 23 residues pruned to eliminate duplicates Z: 81 87.544 2.522 1.090 0.568 0.975 0.637 CB 1.783 81 residues pruned to eliminate duplicates Z: 13 27.112 2.217 1.040 0.736 0.917 0.667 CA 1.528 13 residues pruned to eliminate duplicates Z: 68 95.202 2.596 1.149 0.608 0.985 0.687 CB 1.909 68 residues pruned to eliminate duplicates Z: 109 86.933 2.479 1.016 0.502 0.954 0.648 CB 1.751 109 residues pruned to eliminate duplicates Z: 30 31.402 2.230 0.979 0.486 0.862 0.448 CB 1.554 30 residues pruned to eliminate duplicates Z: 20 17.047 2.197 1.098 0.311 0.737 0.579 CB 1.419 20 residues pruned to eliminate duplicates Z: 41 52.856 2.546 0.935 0.544 0.875 0.700 CB 1.857 41 residues pruned to eliminate duplicates Z: 51 37.143 2.319 0.847 0.460 0.880 0.660 CB 1.452 51 residues pruned to eliminate duplicates Z: 80 54.257 2.417 0.919 0.465 0.873 0.544 CB 1.561 80 residues pruned to eliminate duplicates Z: 108 90.982 2.515 1.117 0.506 0.944 0.664 CB 1.739 108 residues pruned to eliminate duplicates Z: 8 13.188 2.305 1.150 0.526 0.714 0.571 CB 1.372 8 residues pruned to eliminate duplicates Z: 6 4.848 1.903 0.324 0.440 0.600 0.600 CB 1.525 6 residues pruned to eliminate duplicates Z: 28 35.249 2.307 1.082 0.327 0.963 0.556 CB 1.773 28 residues pruned to eliminate duplicates Z: 13 28.839 2.245 0.802 0.796 1.000 0.750 CA 1.588 13 residues pruned to eliminate duplicates Z: 14 32.203 2.125 1.026 0.805 1.000 0.538 CA 1.591 14 residues pruned to eliminate duplicates Z: 40 36.138 2.366 0.730 0.500 0.949 0.641 CB 1.490 40 residues pruned to eliminate duplicates Z: 50 46.651 2.329 0.963 0.413 0.939 0.673 CB 1.701 50 residues pruned to eliminate duplicates Z: 108 98.807 2.552 1.091 0.525 0.944 0.645 CB 1.850 108 residues pruned to eliminate duplicates Z: 41 26.422 2.286 0.621 0.442 0.800 0.500 CB 1.496 41 residues pruned to eliminate duplicates Z: 18 42.321 2.362 0.803 0.945 1.000 0.941 CA 1.668 18 residues pruned to eliminate duplicates Z: 39 46.879 2.432 1.185 0.398 0.868 0.605 CB 1.835 39 residues pruned to eliminate duplicates Z: 12 28.489 2.152 0.956 0.803 1.000 0.636 CA 1.566 12 residues pruned to eliminate duplicates Z: 109 95.577 2.518 1.115 0.514 0.926 0.648 CB 1.839 109 residues pruned to eliminate duplicates Z: 18 17.946 2.314 1.145 0.348 0.706 0.471 CB 1.464 18 residues pruned to eliminate duplicates Z: 83 85.142 2.510 1.152 0.548 0.939 0.598 CB 1.768 83 residues pruned to eliminate duplicates Z: 11 33.377 2.223 1.072 0.845 1.000 0.900 CB 1.704 11 residues pruned to eliminate duplicates Z: 68 69.634 2.525 1.057 0.526 0.925 0.597 CB 1.725 68 residues pruned to eliminate duplicates Z: 103 91.744 2.503 1.051 0.533 0.951 0.667 CB 1.802 103 residues pruned to eliminate duplicates Z: 7 5.888 1.848 0.337 0.500 0.833 0.333 CA 1.168 7 residues pruned to eliminate duplicates Z: 23 33.270 2.360 1.184 0.405 0.909 0.591 CB 1.672 23 residues pruned to eliminate duplicates Z: 6 7.587 1.932 0.044 0.746 1.000 1.000 CB 1.350 6 residues pruned to eliminate duplicates Z: 12 24.512 2.023 1.009 0.787 1.000 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 10 17.808 2.281 0.873 0.786 0.778 0.667 CB 1.389 10 residues pruned to eliminate duplicates Z: 70 85.506 2.560 1.087 0.578 0.942 0.667 CB 1.897 70 residues pruned to eliminate duplicates Z: 70 88.947 2.565 1.132 0.587 0.957 0.638 CB 1.884 70 residues pruned to eliminate duplicates Z: 28 42.566 2.478 1.216 0.360 0.926 0.519 CB 1.873 28 residues pruned to eliminate duplicates Z: 47 50.340 2.510 0.825 0.538 0.913 0.587 CB 1.709 47 residues pruned to eliminate duplicates Z: 68 60.407 2.410 1.073 0.449 0.925 0.612 CB 1.683 68 residues pruned to eliminate duplicates Z: 16 40.830 2.381 0.903 0.925 1.000 0.867 CA 1.633 16 residues pruned to eliminate duplicates Z: 7 7.405 2.048 0.046 0.752 0.833 0.667 CA 1.352 7 residues pruned to eliminate duplicates Z: 15 24.636 2.276 1.145 0.511 0.857 0.714 CB 1.556 15 residues pruned to eliminate duplicates Z: 16 24.188 2.303 1.170 0.456 0.867 0.600 CB 1.509 16 residues pruned to eliminate duplicates Z: 109 91.533 2.496 1.098 0.527 0.926 0.648 CB 1.769 109 residues pruned to eliminate duplicates Z: 109 95.346 2.517 1.148 0.512 0.926 0.574 CB 1.810 109 residues pruned to eliminate duplicates Z: 29 33.585 2.427 0.971 0.364 0.857 0.607 CB 1.792 28 residues pruned to eliminate duplicates Z: 7 9.974 2.266 0.698 0.397 0.833 0.500 CB 1.417 7 residues pruned to eliminate duplicates Z: 49 51.224 2.464 1.142 0.410 0.896 0.604 CB 1.718 49 residues pruned to eliminate duplicates Z: 36 35.084 2.301 1.040 0.447 0.943 0.400 CB 1.414 36 residues pruned to eliminate duplicates Z: 78 62.035 2.439 0.971 0.439 0.935 0.649 CB 1.675 78 residues pruned to eliminate duplicates Z: 108 101.084 2.549 1.127 0.523 0.944 0.654 CB 1.867 108 residues pruned to eliminate duplicates Z: 27 25.505 2.071 0.925 0.520 0.885 0.538 CB 1.390 27 residues pruned to eliminate duplicates Z: 8 3.918 1.630 0.496 0.277 0.714 0.571 N 1.093 8 residues pruned to eliminate duplicates Z: 108 101.787 2.542 1.200 0.523 0.944 0.664 CB 1.822 108 residues pruned to eliminate duplicates Z: 82 78.512 2.492 1.002 0.559 0.926 0.679 CB 1.783 82 residues pruned to eliminate duplicates Z: 13 29.132 2.237 1.095 0.740 0.917 0.833 CB 1.579 13 residues pruned to eliminate duplicates Z: 6 6.131 1.918 0.455 0.448 0.800 0.600 CA 1.295 6 residues pruned to eliminate duplicates Z: 99 94.585 2.531 1.155 0.531 0.929 0.612 CB 1.830 99 residues pruned to eliminate duplicates Z: 11 27.514 2.212 0.768 0.846 1.000 0.600 CB 1.653 11 residues pruned to eliminate duplicates Z: 22 55.329 2.654 0.640 0.939 1.000 0.762 CB 1.928 22 residues pruned to eliminate duplicates Z: 10 18.204 2.239 0.508 0.835 1.000 0.778 CB 1.346 10 residues pruned to eliminate duplicates Z: 20 25.054 2.371 0.999 0.377 0.895 0.632 CB 1.545 20 residues pruned to eliminate duplicates Z: 12 24.592 2.074 0.903 0.799 1.000 0.818 CB 1.447 12 residues pruned to eliminate duplicates Z: 49 44.612 2.362 1.105 0.401 0.854 0.646 CB 1.683 49 residues pruned to eliminate duplicates Z: 55 43.381 2.468 1.098 0.346 0.870 0.537 CB 1.548 55 residues pruned to eliminate duplicates Z: 11 23.019 2.208 0.824 0.828 1.000 0.800 CB 1.361 11 residues pruned to eliminate duplicates Z: 10 13.781 2.235 0.744 0.501 0.778 0.778 CB 1.513 10 residues pruned to eliminate duplicates Z: 74 56.931 2.537 1.029 0.409 0.849 0.507 CB 1.677 74 residues pruned to eliminate duplicates Z: 48 50.536 2.407 1.143 0.424 0.894 0.617 CB 1.731 48 residues pruned to eliminate duplicates Z: 16 27.158 2.531 0.628 0.415 0.933 0.600 CB 1.992 16 residues pruned to eliminate duplicates Z: 11 30.836 2.198 0.930 0.846 1.000 0.800 CB 1.709 11 residues pruned to eliminate duplicates Z: 11 15.486 2.304 0.521 0.487 0.900 0.600 CB 1.574 11 residues pruned to eliminate duplicates Z: 6 7.968 1.693 0.304 0.692 1.000 0.600 CA 1.353 6 residues pruned to eliminate duplicates Z: 10 14.652 2.194 0.876 0.419 0.778 0.667 CB 1.660 10 residues pruned to eliminate duplicates Z: 44 49.748 2.500 0.963 0.457 0.953 0.628 CB 1.693 44 residues pruned to eliminate duplicates Z: 78 54.922 2.363 0.938 0.471 0.883 0.584 CB 1.594 78 residues pruned to eliminate duplicates Z: 19 9.501 1.801 0.520 0.335 0.722 0.444 CA 1.356 19 residues pruned to eliminate duplicates Z: 21 46.934 2.652 1.011 0.680 0.950 0.800 CB 1.755 21 residues pruned to eliminate duplicates Z: 76 59.921 2.566 1.031 0.469 0.840 0.507 CB 1.630 76 residues pruned to eliminate duplicates Z: 9 12.082 2.086 0.450 0.603 0.750 0.500 CA 1.708 9 residues pruned to eliminate duplicates Z: 25 35.051 2.434 0.976 0.568 0.917 0.708 CB 1.519 25 residues pruned to eliminate duplicates Z: 15 16.274 2.192 0.835 0.372 0.857 0.357 CB 1.447 15 residues pruned to eliminate duplicates Z: 100 67.249 2.392 0.976 0.473 0.909 0.616 CB 1.618 100 residues pruned to eliminate duplicates Z: 59 51.927 2.437 1.093 0.400 0.879 0.586 CB 1.689 59 residues pruned to eliminate duplicates Z: 98 94.395 2.544 1.142 0.560 0.928 0.608 CB 1.788 98 residues pruned to eliminate duplicates Z: 6 3.117 1.657 0.582 0.461 0.600 0.400 N 0.922 Z: 35 40.899 2.432 1.224 0.502 0.882 0.500 CB 1.467 35 residues pruned to eliminate duplicates Z: 36 35.930 2.230 1.032 0.496 0.943 0.543 CB 1.427 36 residues pruned to eliminate duplicates Z: 42 78.360 2.654 1.122 0.687 0.976 0.756 CB 1.875 42 residues pruned to eliminate duplicates Z: 109 85.149 2.505 1.055 0.510 0.935 0.620 CB 1.685 109 residues pruned to eliminate duplicates Z: 45 49.218 2.569 0.876 0.492 0.886 0.659 CB 1.751 45 residues pruned to eliminate duplicates Z: 8 13.208 1.817 0.582 0.798 1.000 0.714 CB 1.337 8 residues pruned to eliminate duplicates Z: 7 13.619 2.267 1.050 0.553 0.833 0.667 CB 1.363 7 residues pruned to eliminate duplicates Z: 99 50.695 2.284 0.945 0.421 0.888 0.520 CB 1.410 99 residues pruned to eliminate duplicates Z: 38 40.053 2.387 1.355 0.483 0.865 0.541 CB 1.378 38 residues pruned to eliminate duplicates Z: 63 47.239 2.454 1.085 0.425 0.839 0.500 CB 1.512 63 residues pruned to eliminate duplicates Z: 9 30.423 2.525 0.998 0.895 0.875 0.750 CB 1.747 9 residues pruned to eliminate duplicates Z: 52 33.799 2.199 1.070 0.389 0.882 0.529 CB 1.325 52 residues pruned to eliminate duplicates Z: 58 48.436 2.448 1.099 0.433 0.895 0.561 CB 1.495 58 residues pruned to eliminate duplicates Z: 10 29.506 2.216 0.831 0.900 1.000 0.778 CB 1.732 10 residues pruned to eliminate duplicates Z: 47 49.323 2.465 0.918 0.557 0.913 0.565 CB 1.594 47 residues pruned to eliminate duplicates Z: 6 9.937 1.827 0.464 0.800 1.000 0.600 CB 1.278 6 residues pruned to eliminate duplicates Z: 109 85.775 2.506 0.914 0.495 0.954 0.713 CB 1.814 109 residues pruned to eliminate duplicates Z: 9 14.823 1.992 0.381 0.756 1.000 0.500 CA 1.516 9 residues pruned to eliminate duplicates Z: 7 9.712 2.203 0.471 0.597 0.833 0.833 CB 1.338 7 residues pruned to eliminate duplicates Z: 31 31.001 2.365 1.141 0.484 0.867 0.533 CB 1.311 31 residues pruned to eliminate duplicates Z: 17 27.577 2.261 0.475 0.849 0.938 0.750 CB 1.635 17 residues pruned to eliminate duplicates Z: 59 100.034 2.619 1.216 0.673 1.000 0.707 CB 1.930 59 residues pruned to eliminate duplicates Z: 10 11.621 1.817 0.250 0.787 1.000 0.333 CA 1.326 10 residues pruned to eliminate duplicates Z: 40 36.213 2.326 1.149 0.457 0.795 0.487 CB 1.525 40 residues pruned to eliminate duplicates Z: 14 19.744 2.348 0.805 0.401 0.923 0.615 CB 1.554 14 residues pruned to eliminate duplicates Z: 15 34.700 2.513 1.342 0.438 0.929 0.714 CB 1.809 15 residues pruned to eliminate duplicates Z: 96 82.408 2.526 0.999 0.562 0.895 0.632 CB 1.762 96 residues pruned to eliminate duplicates Z: 20 75.461 2.667 1.313 0.854 1.000 0.368 CA 2.073 20 residues pruned to eliminate duplicates Z: 23 55.796 2.618 0.909 0.887 0.955 0.727 CA 1.798 23 residues pruned to eliminate duplicates Z: 45 55.305 2.439 1.058 0.541 0.909 0.523 CB 1.755 45 residues pruned to eliminate duplicates Z: 68 63.174 2.461 1.045 0.452 0.910 0.701 CB 1.770 68 residues pruned to eliminate duplicates Z: 10 9.144 1.823 0.256 0.724 0.889 0.444 CA 1.224 10 residues pruned to eliminate duplicates Z: 8 28.363 2.531 0.765 0.866 1.000 0.571 CA 1.757 8 residues pruned to eliminate duplicates Z: 61 52.184 2.491 1.134 0.425 0.883 0.550 CB 1.550 63 residues pruned to eliminate duplicates Z: 6 7.734 2.143 0.669 0.389 0.800 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 74 80.995 2.529 1.001 0.566 0.945 0.644 CB 1.859 74 residues pruned to eliminate duplicates Z: 11 22.855 2.165 0.921 0.829 1.000 0.800 CB 1.307 11 residues pruned to eliminate duplicates Z: 59 49.326 2.448 0.878 0.508 0.897 0.621 CB 1.559 59 residues pruned to eliminate duplicates Z: 69 86.341 2.585 1.119 0.581 0.956 0.662 CB 1.850 69 residues pruned to eliminate duplicates Z: 13 6.337 1.438 0.865 0.302 0.917 0.333 C 0.928 Z: 39 43.750 2.398 0.985 0.415 0.947 0.658 CB 1.720 39 residues pruned to eliminate duplicates Z: 100 78.264 2.469 0.950 0.494 0.960 0.677 CB 1.712 100 residues pruned to eliminate duplicates Z: 13 20.340 2.059 0.790 0.699 0.833 0.667 CB 1.594 13 residues pruned to eliminate duplicates Z: 23 58.582 2.583 0.959 0.933 0.955 0.591 CB 1.804 23 residues pruned to eliminate duplicates Z: 28 30.399 2.438 0.592 0.457 0.852 0.556 CB 1.848 28 residues pruned to eliminate duplicates Z: 23 21.966 2.406 1.006 0.348 0.727 0.500 CB 1.574 23 residues pruned to eliminate duplicates Z: 8 14.109 2.274 1.331 0.407 0.857 0.429 CB 1.294 8 residues pruned to eliminate duplicates 6 1.998 1.393 0.515 0.388 0.600 0.400 CB 0.795 ? Z: 33 41.061 2.397 1.048 0.417 0.875 0.469 CB 1.843 33 residues pruned to eliminate duplicates Z: 24 38.150 2.348 0.977 0.587 0.957 0.609 CB 1.648 25 residues pruned to eliminate duplicates Z: 40 39.832 2.355 1.056 0.381 0.846 0.513 CB 1.766 40 residues pruned to eliminate duplicates Z: 39 48.613 2.455 1.047 0.419 0.921 0.632 CB 1.854 39 residues pruned to eliminate duplicates Z: 7 5.044 1.720 0.102 0.465 0.833 0.500 O 1.351 Z: 31 30.866 2.282 0.982 0.479 0.833 0.500 CB 1.527 31 residues pruned to eliminate duplicates Z: 37 39.341 2.427 1.191 0.395 0.889 0.556 CB 1.551 37 residues pruned to eliminate duplicates Z: 82 58.726 2.350 0.955 0.430 0.901 0.654 CB 1.695 82 residues pruned to eliminate duplicates Z: 17 21.987 2.308 0.886 0.371 0.875 0.625 CB 1.656 17 residues pruned to eliminate duplicates Z: 91 89.400 2.495 1.012 0.570 0.956 0.656 CB 1.836 91 residues pruned to eliminate duplicates Z: 25 32.964 2.345 1.287 0.513 0.833 0.500 CB 1.486 25 residues pruned to eliminate duplicates Z: 34 37.734 2.397 1.011 0.507 0.879 0.667 CB 1.541 34 residues pruned to eliminate duplicates Z: 41 45.482 2.400 1.094 0.375 0.925 0.450 CB 1.768 41 residues pruned to eliminate duplicates Z: 20 21.044 2.161 0.880 0.467 0.842 0.632 CB 1.459 20 residues pruned to eliminate duplicates Z: 10 11.978 1.761 0.469 0.798 1.000 0.667 CB 1.190 10 residues pruned to eliminate duplicates Z: 10 12.984 1.744 0.442 0.807 1.000 0.556 CA 1.317 10 residues pruned to eliminate duplicates Z: 11 12.132 1.660 0.587 0.759 1.000 0.600 CB 1.156 11 residues pruned to eliminate duplicates Z: 29 30.258 2.359 1.093 0.314 0.857 0.464 CB 1.660 29 residues pruned to eliminate duplicates Z: 190 107.074 2.469 1.074 0.478 0.910 0.603 CB 1.708 190 residues pruned to eliminate duplicates Z: 9 5.073 1.886 0.277 0.297 0.750 0.250 CB 1.245 9 residues pruned to eliminate duplicates Z: 7 5.436 2.000 0.369 0.211 0.833 0.333 CB 1.368 7 residues pruned to eliminate duplicates Z: 27 32.722 2.383 0.906 0.506 0.846 0.500 CB 1.661 27 residues pruned to eliminate duplicates Z: 19 21.119 2.348 0.672 0.432 0.778 0.556 CB 1.748 19 residues pruned to eliminate duplicates Z: 52 43.616 2.317 0.866 0.418 0.961 0.588 CB 1.601 52 residues pruned to eliminate duplicates Z: 14 20.896 2.244 1.015 0.397 0.923 0.538 CB 1.548 14 residues pruned to eliminate duplicates Z: 19 17.663 2.262 0.821 0.374 0.778 0.556 CB 1.486 19 residues pruned to eliminate duplicates Z: 11 29.094 2.461 0.957 0.547 1.000 0.900 CA 1.824 11 residues pruned to eliminate duplicates Z: 6 6.622 1.929 0.538 0.666 0.800 0.400 CB 1.070 6 residues pruned to eliminate duplicates Z: 59 51.538 2.373 1.133 0.409 0.914 0.603 CB 1.609 59 residues pruned to eliminate duplicates Z: 14 16.682 2.357 0.857 0.383 0.846 0.538 CB 1.415 14 residues pruned to eliminate duplicates Z: 11 25.369 2.100 0.952 0.815 1.000 0.800 CA 1.488 11 residues pruned to eliminate duplicates Z: 36 30.831 2.158 0.931 0.488 0.886 0.514 CB 1.428 36 residues pruned to eliminate duplicates Z: 82 74.046 2.469 1.012 0.539 0.926 0.667 CB 1.722 82 residues pruned to eliminate duplicates Z: 40 44.602 2.413 1.088 0.402 0.872 0.590 CB 1.804 40 residues pruned to eliminate duplicates Z: 6 6.667 1.834 0.066 0.662 1.000 0.800 CA 1.312 6 residues pruned to eliminate duplicates Z: 43 64.500 2.541 1.013 0.632 0.929 0.714 CB 1.852 43 residues pruned to eliminate duplicates Z: 36 52.546 2.535 1.301 0.451 0.886 0.629 CB 1.808 36 residues pruned to eliminate duplicates Z: 81 83.100 2.482 1.043 0.577 0.950 0.675 CB 1.790 81 residues pruned to eliminate duplicates Z: 21 23.638 2.221 0.974 0.528 0.850 0.650 CB 1.380 21 residues pruned to eliminate duplicates Z: 59 76.256 2.561 0.980 0.640 0.948 0.707 CB 1.827 59 residues pruned to eliminate duplicates Z: 15 43.132 2.453 1.448 0.796 0.929 0.571 CB 1.596 15 residues pruned to eliminate duplicates Z: 83 82.374 2.486 1.093 0.552 0.939 0.634 CB 1.771 83 residues pruned to eliminate duplicates Z: 24 28.639 2.348 0.970 0.393 0.870 0.522 CB 1.661 24 residues pruned to eliminate duplicates Z: 33 42.801 2.358 0.973 0.524 0.938 0.625 CB 1.695 33 residues pruned to eliminate duplicates Z: 34 27.523 2.251 1.018 0.454 0.848 0.576 CB 1.304 34 residues pruned to eliminate duplicates Z: 78 63.498 2.403 1.036 0.438 0.909 0.623 CB 1.734 78 residues pruned to eliminate duplicates 6 1.365 1.858 0.003 0.556 0.800 0.400 CB 0.388 ? Z: 14 21.330 2.227 1.113 0.421 0.846 0.692 CB 1.614 14 residues pruned to eliminate duplicates Z: 10 8.792 2.038 0.654 0.340 0.667 0.556 CB 1.553 10 residues pruned to eliminate duplicates Z: 30 39.428 2.365 0.916 0.537 0.931 0.724 CB 1.674 30 residues pruned to eliminate duplicates Z: 7 3.187 1.615 0.032 0.290 0.833 0.500 CB 1.187 Z: 68 84.923 2.575 1.085 0.574 0.955 0.657 CB 1.884 68 residues pruned to eliminate duplicates Z: 9 17.370 2.231 0.924 0.574 0.875 0.750 CB 1.523 9 residues pruned to eliminate duplicates Z: 39 51.847 2.442 1.135 0.421 0.921 0.632 CB 1.902 38 residues pruned to eliminate duplicates Z: 39 28.848 2.330 0.887 0.451 0.816 0.553 CB 1.371 38 residues pruned to eliminate duplicates Z: 14 21.707 2.039 1.048 0.475 0.923 0.615 CB 1.602 14 residues pruned to eliminate duplicates Z: 18 18.554 1.937 1.255 0.352 0.882 0.647 CA 1.370 18 residues pruned to eliminate duplicates Z: 32 27.773 2.333 0.812 0.434 0.839 0.581 CB 1.506 32 residues pruned to eliminate duplicates Z: 50 56.527 2.389 0.968 0.515 0.980 0.653 CB 1.728 50 residues pruned to eliminate duplicates Z: 56 64.503 2.504 1.173 0.437 0.945 0.618 CB 1.805 57 residues pruned to eliminate duplicates Z: 24 26.866 2.417 0.734 0.487 0.870 0.783 CB 1.558 24 residues pruned to eliminate duplicates Z: 30 33.832 2.514 0.766 0.482 0.828 0.621 CB 1.740 30 residues pruned to eliminate duplicates Z: 31 40.410 2.491 0.972 0.421 0.933 0.533 CB 1.748 31 residues pruned to eliminate duplicates Z: 103 100.431 2.536 1.144 0.523 0.941 0.637 CB 1.900 103 residues pruned to eliminate duplicates Z: 29 39.688 2.354 1.113 0.438 0.893 0.607 CB 1.800 29 residues pruned to eliminate duplicates Z: 10 30.501 2.326 1.227 0.879 0.889 0.667 CB 1.602 10 residues pruned to eliminate duplicates Z: 6 2.010 1.320 0.358 0.368 1.000 0.800 N 0.578 Z: 23 63.698 2.603 0.915 0.927 1.000 0.773 CB 1.910 23 residues pruned to eliminate duplicates Z: 12 22.113 2.258 0.809 0.738 0.909 0.818 CA 1.451 12 residues pruned to eliminate duplicates Z: 12 21.967 2.462 1.219 0.412 0.818 0.636 CB 1.624 12 residues pruned to eliminate duplicates Z: 26 25.351 2.279 0.796 0.348 0.920 0.520 CB 1.588 26 residues pruned to eliminate duplicates Z: 80 80.090 2.458 1.089 0.583 0.937 0.608 CB 1.729 80 residues pruned to eliminate duplicates Z: 13 22.727 2.319 1.056 0.461 0.917 0.667 CB 1.562 13 residues pruned to eliminate duplicates Z: 48 46.419 2.388 1.016 0.421 0.894 0.702 CB 1.709 48 residues pruned to eliminate duplicates Z: 14 35.868 2.317 0.698 0.888 1.000 0.615 CB 1.821 14 residues pruned to eliminate duplicates Z: 15 24.804 2.348 0.821 0.427 0.929 0.500 CA 1.800 15 residues pruned to eliminate duplicates Z: 50 33.331 2.256 0.999 0.395 0.878 0.551 CB 1.344 50 residues pruned to eliminate duplicates Z: 8 15.261 1.979 0.413 0.816 1.000 0.714 CB 1.567 8 residues pruned to eliminate duplicates Z: 9 14.917 1.951 0.530 0.834 1.000 0.625 CB 1.324 9 residues pruned to eliminate duplicates Z: 71 89.076 2.548 1.156 0.578 0.957 0.629 CB 1.879 71 residues pruned to eliminate duplicates Z: 35 24.304 2.354 0.856 0.313 0.824 0.500 CB 1.425 35 residues pruned to eliminate duplicates Z: 6 6.653 1.750 0.695 0.745 0.800 0.800 CB 1.007 Z: 8 7.167 1.776 0.223 0.455 1.000 0.714 CB 1.306 Z: 59 53.558 2.385 1.103 0.402 0.948 0.603 CB 1.639 59 residues pruned to eliminate duplicates Z: 7 7.520 2.055 0.454 0.532 0.833 0.667 CB 1.195 7 residues pruned to eliminate duplicates Z: 25 40.487 2.411 1.185 0.605 0.917 0.583 CB 1.549 25 residues pruned to eliminate duplicates Z: 6 3.383 1.702 0.184 0.410 0.800 0.600 CB 1.031 Z: 16 42.891 2.386 1.106 0.889 1.000 0.800 CA 1.587 16 residues pruned to eliminate duplicates Z: 25 17.534 2.144 0.914 0.336 0.875 0.583 CB 1.192 25 residues pruned to eliminate duplicates Z: 26 35.305 2.479 0.755 0.532 0.880 0.560 CB 1.787 26 residues pruned to eliminate duplicates Z: 8 19.813 2.569 1.219 0.373 0.857 0.571 CB 1.756 8 residues pruned to eliminate duplicates Z: 7 13.049 2.141 0.862 0.394 1.000 0.500 CB 1.496 7 residues pruned to eliminate duplicates Z: 61 54.224 2.486 1.215 0.413 0.900 0.550 CB 1.547 61 residues pruned to eliminate duplicates Z: 68 90.686 2.536 1.180 0.600 0.955 0.701 CB 1.907 68 residues pruned to eliminate duplicates Z: 22 26.128 2.266 0.909 0.412 0.905 0.619 CB 1.598 22 residues pruned to eliminate duplicates Z: 108 83.412 2.489 0.932 0.509 0.953 0.645 CB 1.743 108 residues pruned to eliminate duplicates Z: 51 53.612 2.358 0.976 0.542 0.900 0.680 CB 1.735 51 residues pruned to eliminate duplicates Z: 55 83.840 2.552 1.073 0.608 1.000 0.741 CA 1.948 55 residues pruned to eliminate duplicates Z: 74 77.214 2.507 0.993 0.580 0.945 0.712 CB 1.771 74 residues pruned to eliminate duplicates Z: 84 71.216 2.448 1.057 0.471 0.940 0.675 CB 1.702 84 residues pruned to eliminate duplicates Z: 6 3.872 1.698 0.790 0.433 0.600 0.400 CB 1.018 Z: 14 36.115 2.522 0.688 0.861 1.000 0.846 CA 1.728 14 residues pruned to eliminate duplicates Z: 34 39.624 2.355 0.930 0.515 0.909 0.758 CB 1.644 40 residues pruned to eliminate duplicates Z: 43 59.614 2.605 1.047 0.544 0.952 0.619 CB 1.736 43 residues pruned to eliminate duplicates Z: 92 81.121 2.481 1.033 0.508 0.945 0.714 CB 1.770 92 residues pruned to eliminate duplicates Z: 58 71.735 2.522 1.003 0.588 0.965 0.719 CB 1.792 58 residues pruned to eliminate duplicates Z: 7 2.542 1.594 0.241 0.270 0.833 0.667 CB 0.818 Z: 9 4.757 1.683 0.349 0.277 0.750 0.500 N 1.271 7 residues pruned to eliminate duplicates Z: 47 41.811 2.461 0.742 0.434 0.870 0.630 CB 1.771 47 residues pruned to eliminate duplicates Z: 95 83.354 2.481 1.058 0.502 0.926 0.670 CB 1.815 95 residues pruned to eliminate duplicates Z: 42 38.025 2.379 0.922 0.546 0.878 0.537 CB 1.414 42 residues pruned to eliminate duplicates Z: 22 77.166 2.730 1.231 0.929 1.000 0.619 CA 1.934 22 residues pruned to eliminate duplicates Z: 13 30.922 2.157 1.279 0.784 1.000 0.583 CB 1.414 13 residues pruned to eliminate duplicates Z: 111 103.171 2.551 1.126 0.571 0.936 0.609 CB 1.808 111 residues pruned to eliminate duplicates Z: 6 6.638 1.756 0.530 0.619 0.800 0.600 CB 1.235 6 residues pruned to eliminate duplicates Z: 14 45.457 2.559 1.062 0.913 1.000 0.846 CB 1.691 14 residues pruned to eliminate duplicates Z: 50 49.357 2.497 1.029 0.536 0.857 0.653 CB 1.568 50 residues pruned to eliminate duplicates Z: 59 75.181 2.538 1.058 0.557 0.948 0.724 CB 1.885 59 residues pruned to eliminate duplicates Z: 7 11.441 2.254 0.963 0.341 0.833 0.333 CA 1.506 7 residues pruned to eliminate duplicates Z: 20 19.624 2.323 0.649 0.412 0.789 0.526 CB 1.632 20 residues pruned to eliminate duplicates Z: 12 28.235 2.368 0.971 0.814 0.909 0.727 CA 1.527 12 residues pruned to eliminate duplicates Z: 6 2.825 1.567 0.381 0.298 0.800 0.800 CB 0.914 Using tripeptides from previous cycle as seeds 6 1.927 1.375 0.674 0.247 0.600 0.400 CA 0.836 ? Z: 6 10.396 1.810 1.329 0.448 1.000 0.800 C 1.163 6 residues pruned to eliminate duplicates Z: 109 89.800 2.502 1.144 0.499 0.926 0.630 CB 1.741 109 residues pruned to eliminate duplicates Z: 49 48.576 2.383 1.194 0.378 0.896 0.646 CB 1.704 50 residues pruned to eliminate duplicates Z: 6 9.269 2.194 1.095 0.257 1.000 0.400 CA 1.191 6 residues pruned to eliminate duplicates Z: 108 85.260 2.490 1.020 0.506 0.925 0.654 CB 1.760 108 residues pruned to eliminate duplicates Z: 30 34.719 2.401 1.032 0.367 0.897 0.552 CB 1.700 30 residues pruned to eliminate duplicates Z: 77 68.490 2.446 1.056 0.448 0.961 0.737 CB 1.716 77 residues pruned to eliminate duplicates Z: 218 115.680 2.544 1.021 0.489 0.908 0.631 CB 1.702 218 residues pruned to eliminate duplicates Z: 109 89.098 2.506 1.033 0.520 0.926 0.676 CB 1.781 109 residues pruned to eliminate duplicates Z: 109 91.860 2.500 1.079 0.513 0.944 0.648 CB 1.777 109 residues pruned to eliminate duplicates Z: 109 88.421 2.501 1.010 0.509 0.944 0.657 CB 1.775 109 residues pruned to eliminate duplicates Z: 109 90.674 2.503 1.092 0.511 0.935 0.667 CB 1.762 109 residues pruned to eliminate duplicates Z: 158 108.329 2.546 1.056 0.513 0.924 0.650 CB 1.765 158 residues pruned to eliminate duplicates Z: 108 86.340 2.535 0.969 0.507 0.944 0.598 CB 1.760 108 residues pruned to eliminate duplicates Z: 49 52.305 2.445 1.175 0.413 0.896 0.708 CB 1.736 49 residues pruned to eliminate duplicates Z: 109 92.735 2.513 1.049 0.519 0.954 0.676 CB 1.784 109 residues pruned to eliminate duplicates Z: 108 89.705 2.518 1.092 0.511 0.944 0.607 CB 1.726 108 residues pruned to eliminate duplicates Z: 103 86.583 2.478 1.019 0.521 0.941 0.647 CB 1.783 101 residues pruned to eliminate duplicates Z: 6 7.757 2.111 0.665 0.353 1.000 0.600 CA 1.157 6 residues pruned to eliminate duplicates Z: 107 83.628 2.481 1.078 0.483 0.915 0.632 CB 1.752 107 residues pruned to eliminate duplicates Z: 49 51.722 2.434 1.145 0.415 0.917 0.667 CB 1.705 49 residues pruned to eliminate duplicates Z: 108 93.378 2.526 1.054 0.517 0.953 0.692 CB 1.795 108 residues pruned to eliminate duplicates Z: 40 43.691 2.428 1.077 0.412 0.897 0.667 CB 1.694 40 residues pruned to eliminate duplicates Z: 106 76.381 2.496 0.935 0.489 0.914 0.552 CB 1.706 106 residues pruned to eliminate duplicates Z: 50 49.566 2.426 1.084 0.406 0.918 0.633 CB 1.683 50 residues pruned to eliminate duplicates Z: 109 91.348 2.526 1.036 0.515 0.944 0.722 CB 1.782 109 residues pruned to eliminate duplicates Z: 51 43.743 2.375 0.989 0.388 0.900 0.580 CB 1.638 51 residues pruned to eliminate duplicates Z: 80 74.104 2.472 1.031 0.529 0.937 0.633 CB 1.723 80 residues pruned to eliminate duplicates Z: 50 48.606 2.415 1.102 0.402 0.898 0.612 CB 1.689 50 residues pruned to eliminate duplicates Z: 49 49.033 2.435 1.049 0.409 0.917 0.625 CB 1.702 49 residues pruned to eliminate duplicates Z: 41 45.031 2.410 1.111 0.405 0.900 0.550 CB 1.718 41 residues pruned to eliminate duplicates Z: 108 88.422 2.535 1.084 0.511 0.907 0.682 CB 1.765 108 residues pruned to eliminate duplicates Z: 109 85.394 2.507 1.009 0.513 0.935 0.611 CB 1.722 109 residues pruned to eliminate duplicates Z: 82 86.137 2.505 1.038 0.576 0.963 0.691 CB 1.810 82 residues pruned to eliminate duplicates Z: 51 43.781 2.398 1.074 0.380 0.840 0.560 CB 1.685 51 residues pruned to eliminate duplicates Z: 107 81.081 2.491 1.056 0.471 0.934 0.632 CB 1.695 107 residues pruned to eliminate duplicates Z: 70 73.352 2.540 0.911 0.581 0.913 0.696 CB 1.843 70 residues pruned to eliminate duplicates Z: 49 52.847 2.446 1.112 0.410 0.938 0.500 CB 1.732 51 residues pruned to eliminate duplicates Z: 6 4.439 1.718 1.151 0.287 0.600 0.200 CA 1.137 6 residues pruned to eliminate duplicates Z: 109 93.705 2.507 1.188 0.502 0.935 0.648 CB 1.755 109 residues pruned to eliminate duplicates Z: 82 81.245 2.489 1.120 0.555 0.951 0.654 CB 1.706 82 residues pruned to eliminate duplicates Z: 82 84.562 2.515 1.053 0.561 0.975 0.654 CB 1.758 82 residues pruned to eliminate duplicates Z: 108 92.071 2.520 1.064 0.523 0.963 0.673 CB 1.738 108 residues pruned to eliminate duplicates Z: 39 45.040 2.440 0.948 0.479 0.895 0.737 CB 1.754 39 residues pruned to eliminate duplicates Z: 109 82.071 2.478 0.977 0.501 0.926 0.639 CB 1.740 109 residues pruned to eliminate duplicates Z: 107 90.358 2.521 1.080 0.505 0.953 0.670 CB 1.748 107 residues pruned to eliminate duplicates Z: 109 83.206 2.478 0.991 0.492 0.944 0.667 CB 1.733 109 residues pruned to eliminate duplicates Z: 34 34.189 2.359 0.924 0.415 0.879 0.606 CB 1.631 34 residues pruned to eliminate duplicates Z: 84 85.601 2.452 1.042 0.576 0.940 0.675 CB 1.856 84 residues pruned to eliminate duplicates Z: 70 79.329 2.571 0.964 0.582 0.971 0.696 CB 1.801 70 residues pruned to eliminate duplicates Z: 70 79.838 2.540 1.034 0.599 0.928 0.681 CB 1.824 70 residues pruned to eliminate duplicates Z: 109 90.812 2.503 1.113 0.515 0.926 0.657 CB 1.758 109 residues pruned to eliminate duplicates Z: 108 92.154 2.496 1.096 0.520 0.944 0.692 CB 1.768 108 residues pruned to eliminate duplicates Z: 129 98.795 2.549 1.024 0.550 0.906 0.625 CB 1.778 129 residues pruned to eliminate duplicates Z: 108 88.889 2.517 1.034 0.516 0.935 0.645 CB 1.768 108 residues pruned to eliminate duplicates Z: 70 80.899 2.558 1.044 0.584 0.957 0.710 CB 1.797 70 residues pruned to eliminate duplicates Z: 58 70.189 2.520 1.026 0.581 0.947 0.702 CB 1.778 58 residues pruned to eliminate duplicates Z: 86 82.435 2.471 1.028 0.562 0.941 0.694 CB 1.785 86 residues pruned to eliminate duplicates Z: 68 62.911 2.508 0.832 0.512 0.925 0.687 CB 1.787 68 residues pruned to eliminate duplicates Z: 107 87.933 2.507 0.988 0.510 0.953 0.689 CB 1.780 107 residues pruned to eliminate duplicates Z: 109 84.326 2.504 0.995 0.509 0.926 0.620 CB 1.739 109 residues pruned to eliminate duplicates Z: 70 79.032 2.561 0.972 0.578 0.971 0.725 CB 1.799 70 residues pruned to eliminate duplicates Z: 108 91.285 2.507 1.054 0.512 0.953 0.645 CB 1.776 108 residues pruned to eliminate duplicates Z: 109 93.111 2.512 1.141 0.512 0.944 0.694 CB 1.742 109 residues pruned to eliminate duplicates Z: 109 88.105 2.501 0.993 0.522 0.935 0.694 CB 1.779 109 residues pruned to eliminate duplicates Z: 72 73.547 2.527 0.985 0.564 0.915 0.676 CB 1.787 72 residues pruned to eliminate duplicates Z: 82 83.807 2.515 1.051 0.559 0.963 0.691 CB 1.771 82 residues pruned to eliminate duplicates Z: 107 89.964 2.509 1.056 0.506 0.953 0.670 CB 1.766 107 residues pruned to eliminate duplicates Z: 157 107.790 2.529 1.028 0.523 0.936 0.667 CB 1.757 157 residues pruned to eliminate duplicates Z: 81 86.580 2.524 1.108 0.559 0.963 0.688 CB 1.785 81 residues pruned to eliminate duplicates Z: 93 88.597 2.589 0.978 0.574 0.935 0.717 CB 1.796 93 residues pruned to eliminate duplicates Z: 70 80.535 2.548 1.049 0.575 0.957 0.681 CB 1.806 70 residues pruned to eliminate duplicates Z: 83 76.197 2.473 0.998 0.539 0.939 0.659 CB 1.747 83 residues pruned to eliminate duplicates Z: 70 79.824 2.568 1.067 0.579 0.942 0.739 CB 1.781 70 residues pruned to eliminate duplicates Z: 109 94.280 2.507 1.101 0.514 0.954 0.676 CB 1.780 109 residues pruned to eliminate duplicates Z: 108 89.825 2.522 1.037 0.514 0.944 0.710 CB 1.766 108 residues pruned to eliminate duplicates Z: 70 77.902 2.564 0.992 0.575 0.957 0.696 CB 1.785 70 residues pruned to eliminate duplicates Z: 109 88.038 2.509 1.051 0.501 0.917 0.630 CB 1.794 109 residues pruned to eliminate duplicates Z: 107 93.426 2.535 1.080 0.515 0.943 0.679 CB 1.797 107 residues pruned to eliminate duplicates Z: 110 96.154 2.512 1.105 0.517 0.954 0.624 CB 1.795 110 residues pruned to eliminate duplicates Z: 101 90.423 2.489 1.052 0.530 0.960 0.630 CB 1.791 101 residues pruned to eliminate duplicates Z: 70 75.401 2.535 0.973 0.557 0.957 0.652 CB 1.794 70 residues pruned to eliminate duplicates Z: 109 89.593 2.499 1.051 0.494 0.944 0.611 CB 1.792 109 residues pruned to eliminate duplicates Z: 108 90.770 2.499 1.104 0.523 0.925 0.682 CB 1.763 108 residues pruned to eliminate duplicates Z: 70 79.597 2.558 1.047 0.588 0.957 0.754 CB 1.758 70 residues pruned to eliminate duplicates Z: 101 90.992 2.541 1.068 0.520 0.950 0.710 CB 1.786 101 residues pruned to eliminate duplicates Z: 108 94.592 2.522 1.133 0.514 0.935 0.682 CB 1.794 108 residues pruned to eliminate duplicates Z: 83 80.080 2.489 1.013 0.554 0.951 0.671 CB 1.761 83 residues pruned to eliminate duplicates Z: 81 84.731 2.488 1.078 0.569 0.963 0.588 CB 1.781 81 residues pruned to eliminate duplicates Z: 109 89.652 2.522 1.124 0.505 0.917 0.648 CB 1.748 109 residues pruned to eliminate duplicates Z: 69 85.313 2.578 1.143 0.592 0.956 0.750 CB 1.794 69 residues pruned to eliminate duplicates Z: 109 86.784 2.452 1.094 0.496 0.935 0.676 CB 1.746 109 residues pruned to eliminate duplicates Z: 7 3.207 1.787 1.170 0.214 0.667 0.333 CB 0.710 7 residues pruned to eliminate duplicates Z: 28 47.476 2.637 0.998 0.603 0.889 0.778 CB 1.769 28 residues pruned to eliminate duplicates Z: 110 85.447 2.518 1.049 0.548 0.881 0.633 CB 1.719 110 residues pruned to eliminate duplicates Z: 78 57.864 2.544 0.860 0.447 0.896 0.597 CB 1.641 78 residues pruned to eliminate duplicates Z: 30 42.168 2.616 0.950 0.545 0.862 0.586 CB 1.704 30 residues pruned to eliminate duplicates Z: 77 68.708 2.627 0.994 0.465 0.895 0.592 CB 1.743 77 residues pruned to eliminate duplicates Z: 26 49.788 2.712 1.051 0.566 0.920 0.720 CB 1.826 26 residues pruned to eliminate duplicates Z: 40 63.643 2.704 1.014 0.580 0.923 0.692 CB 1.878 40 residues pruned to eliminate duplicates Z: 27 54.680 2.762 1.123 0.616 0.885 0.692 CB 1.853 27 residues pruned to eliminate duplicates Z: 30 40.134 2.573 1.031 0.508 0.897 0.517 CB 1.578 30 residues pruned to eliminate duplicates Z: 64 59.136 2.607 0.987 0.466 0.857 0.635 CB 1.737 64 residues pruned to eliminate duplicates Z: 27 57.161 2.762 1.177 0.616 0.923 0.731 CB 1.810 27 residues pruned to eliminate duplicates Z: 63 61.580 2.567 0.977 0.481 0.903 0.629 CB 1.739 63 residues pruned to eliminate duplicates Z: 52 58.899 2.597 1.064 0.532 0.863 0.627 CB 1.728 52 residues pruned to eliminate duplicates Z: 27 51.973 2.729 1.124 0.584 0.885 0.692 CB 1.834 27 residues pruned to eliminate duplicates Z: 25 54.139 2.777 1.217 0.582 0.917 0.708 CB 1.811 25 residues pruned to eliminate duplicates Z: 134 100.312 2.545 1.087 0.512 0.932 0.669 CB 1.735 134 residues pruned to eliminate duplicates Z: 77 66.124 2.563 1.043 0.446 0.882 0.539 CB 1.737 77 residues pruned to eliminate duplicates Z: 78 69.710 2.575 1.107 0.456 0.896 0.610 CB 1.710 78 residues pruned to eliminate duplicates Z: 64 62.406 2.612 0.951 0.476 0.905 0.556 CB 1.748 64 residues pruned to eliminate duplicates Z: 79 61.220 2.569 0.938 0.449 0.846 0.615 CB 1.734 79 residues pruned to eliminate duplicates Z: 103 61.713 2.458 0.935 0.390 0.902 0.569 CB 1.601 103 residues pruned to eliminate duplicates Z: 112 79.113 2.550 1.102 0.458 0.892 0.613 CB 1.640 112 residues pruned to eliminate duplicates Z: 67 56.456 2.570 0.965 0.474 0.848 0.591 CB 1.665 67 residues pruned to eliminate duplicates Z: 104 77.500 2.554 1.107 0.459 0.883 0.563 CB 1.674 104 residues pruned to eliminate duplicates Z: 186 115.735 2.549 1.126 0.479 0.930 0.627 CB 1.725 186 residues pruned to eliminate duplicates Z: 47 70.614 2.706 1.200 0.561 0.891 0.630 CB 1.849 47 residues pruned to eliminate duplicates Z: 63 65.299 2.621 1.140 0.494 0.887 0.613 CB 1.677 63 residues pruned to eliminate duplicates Z: 26 37.760 2.602 0.800 0.513 0.880 0.800 CB 1.808 26 residues pruned to eliminate duplicates Z: 42 63.790 2.677 1.106 0.555 0.927 0.659 CB 1.807 42 residues pruned to eliminate duplicates Z: 72 58.004 2.547 0.929 0.472 0.845 0.549 CB 1.705 72 residues pruned to eliminate duplicates Z: 52 55.488 2.566 0.954 0.531 0.863 0.667 CB 1.743 52 residues pruned to eliminate duplicates Z: 84 60.366 2.500 0.974 0.417 0.892 0.554 CB 1.642 84 residues pruned to eliminate duplicates Z: 54 58.809 2.564 1.108 0.500 0.887 0.660 CB 1.685 54 residues pruned to eliminate duplicates Z: 78 66.549 2.578 1.040 0.463 0.883 0.558 CB 1.697 78 residues pruned to eliminate duplicates Z: 218 122.241 2.541 1.117 0.490 0.894 0.641 CB 1.744 218 residues pruned to eliminate duplicates Z: 50 44.935 2.547 0.908 0.402 0.857 0.592 CB 1.708 50 residues pruned to eliminate duplicates Z: 51 62.686 2.636 1.027 0.531 0.900 0.620 CB 1.788 51 residues pruned to eliminate duplicates Z: 19 24.934 2.396 0.845 0.413 0.833 0.500 CB 1.748 19 residues pruned to eliminate duplicates Z: 65 52.432 2.482 1.057 0.380 0.906 0.516 CB 1.610 65 residues pruned to eliminate duplicates Z: 26 37.987 2.580 0.782 0.461 0.880 0.640 CA 1.953 26 residues pruned to eliminate duplicates Z: 34 40.023 2.590 0.794 0.456 0.879 0.606 CB 1.785 34 residues pruned to eliminate duplicates Z: 61 56.617 2.539 0.980 0.477 0.867 0.583 CB 1.717 61 residues pruned to eliminate duplicates Z: 21 31.175 2.580 0.866 0.397 0.850 0.600 CB 1.898 21 residues pruned to eliminate duplicates Z: 33 33.728 2.478 0.825 0.394 0.844 0.594 CB 1.747 33 residues pruned to eliminate duplicates Z: 83 60.597 2.525 1.034 0.459 0.841 0.585 CB 1.614 83 residues pruned to eliminate duplicates Z: 19 31.472 2.549 0.844 0.423 0.889 0.556 CB 1.925 19 residues pruned to eliminate duplicates Z: 134 95.088 2.531 0.967 0.521 0.940 0.662 CB 1.726 134 residues pruned to eliminate duplicates Z: 82 60.696 2.509 0.996 0.435 0.864 0.531 CB 1.666 82 residues pruned to eliminate duplicates Z: 68 53.783 2.433 1.112 0.399 0.881 0.612 CB 1.615 68 residues pruned to eliminate duplicates Z: 6 2.216 1.347 0.937 0.100 0.800 0.000 CB 0.791 6 residues pruned to eliminate duplicates Z: 25 28.060 2.443 1.030 0.340 0.875 0.583 CB 1.572 25 residues pruned to eliminate duplicates Z: 37 35.841 2.396 1.002 0.360 0.917 0.528 CB 1.579 37 residues pruned to eliminate duplicates Z: 35 24.510 2.210 1.044 0.331 0.794 0.441 CB 1.409 35 residues pruned to eliminate duplicates Z: 61 51.502 2.502 1.142 0.411 0.867 0.500 CB 1.571 61 residues pruned to eliminate duplicates Z: 30 30.472 2.457 1.127 0.364 0.862 0.448 CB 1.454 30 residues pruned to eliminate duplicates Z: 64 45.821 2.451 1.060 0.405 0.857 0.492 CB 1.474 64 residues pruned to eliminate duplicates Z: 62 53.103 2.492 1.168 0.424 0.902 0.475 CB 1.511 62 residues pruned to eliminate duplicates Z: 15 16.167 2.290 0.729 0.314 0.929 0.500 CB 1.444 15 residues pruned to eliminate duplicates Z: 62 53.011 2.514 1.158 0.415 0.885 0.557 CB 1.545 62 residues pruned to eliminate duplicates Z: 81 69.512 2.562 1.084 0.461 0.900 0.575 CB 1.684 81 residues pruned to eliminate duplicates Z: 26 27.408 2.437 1.118 0.360 0.800 0.480 CB 1.543 26 residues pruned to eliminate duplicates Z: 53 45.313 2.416 1.195 0.414 0.865 0.481 CB 1.498 53 residues pruned to eliminate duplicates Z: 29 27.827 2.446 1.038 0.349 0.857 0.464 CB 1.449 29 residues pruned to eliminate duplicates Z: 23 25.289 2.405 1.204 0.350 0.773 0.500 CB 1.549 23 residues pruned to eliminate duplicates Z: 28 32.217 2.472 1.013 0.364 0.889 0.444 CB 1.622 28 residues pruned to eliminate duplicates Z: 46 37.723 2.453 0.888 0.407 0.889 0.422 CB 1.507 46 residues pruned to eliminate duplicates Z: 62 42.909 2.487 0.843 0.388 0.803 0.492 CB 1.680 62 residues pruned to eliminate duplicates Z: 78 67.599 2.583 1.128 0.459 0.857 0.558 CB 1.705 78 residues pruned to eliminate duplicates Z: 11 10.916 2.257 0.995 0.229 0.900 0.100 CB 1.169 11 residues pruned to eliminate duplicates Z: 11 10.468 2.150 0.958 0.190 0.800 0.100 CB 1.426 11 residues pruned to eliminate duplicates Z: 29 27.716 2.418 0.879 0.361 0.893 0.429 CB 1.499 29 residues pruned to eliminate duplicates Z: 39 44.161 2.445 1.190 0.440 0.895 0.526 CB 1.590 39 residues pruned to eliminate duplicates Z: 49 42.453 2.436 1.154 0.423 0.854 0.458 CB 1.482 49 residues pruned to eliminate duplicates Z: 10 4.387 2.210 0.835 0.146 0.556 0.444 CB 1.005 10 residues pruned to eliminate duplicates Z: 10 5.216 2.209 0.835 0.147 0.667 0.333 CB 0.995 10 residues pruned to eliminate duplicates Z: 50 48.584 2.502 1.232 0.419 0.898 0.531 CB 1.506 50 residues pruned to eliminate duplicates Z: 52 48.164 2.495 1.213 0.421 0.863 0.529 CB 1.537 52 residues pruned to eliminate duplicates Z: 49 39.547 2.404 1.157 0.394 0.854 0.500 CB 1.441 49 residues pruned to eliminate duplicates Z: 65 45.307 2.436 1.031 0.392 0.859 0.469 CB 1.493 65 residues pruned to eliminate duplicates Z: 63 49.229 2.442 1.073 0.426 0.903 0.484 CB 1.477 63 residues pruned to eliminate duplicates Z: 52 44.153 2.473 1.218 0.414 0.824 0.510 CB 1.499 52 residues pruned to eliminate duplicates Z: 36 39.590 2.443 1.156 0.478 0.886 0.486 CB 1.467 36 residues pruned to eliminate duplicates Z: 35 35.954 2.420 1.025 0.469 0.824 0.412 CB 1.576 35 residues pruned to eliminate duplicates Z: 50 47.226 2.447 1.159 0.400 0.918 0.571 CB 1.545 50 residues pruned to eliminate duplicates Z: 35 41.234 2.471 1.146 0.477 0.912 0.500 CB 1.497 35 residues pruned to eliminate duplicates Z: 54 48.941 2.425 1.214 0.398 0.906 0.453 CB 1.539 54 residues pruned to eliminate duplicates Z: 33 27.953 2.218 0.939 0.441 0.844 0.500 CB 1.447 33 residues pruned to eliminate duplicates Z: 64 55.966 2.463 1.136 0.434 0.921 0.540 CB 1.558 63 residues pruned to eliminate duplicates Z: 14 31.542 2.271 1.132 0.747 1.000 0.615 CB 1.449 14 residues pruned to eliminate duplicates Z: 80 67.105 2.504 1.010 0.557 0.886 0.595 CB 1.601 80 residues pruned to eliminate duplicates Z: 36 38.575 2.367 1.223 0.419 0.914 0.514 CB 1.475 36 residues pruned to eliminate duplicates Z: 35 39.350 2.489 1.252 0.497 0.824 0.441 CB 1.466 35 residues pruned to eliminate duplicates Z: 35 46.155 2.462 1.342 0.489 0.912 0.412 CB 1.522 35 residues pruned to eliminate duplicates Z: 52 36.964 2.346 1.073 0.404 0.824 0.569 CB 1.430 52 residues pruned to eliminate duplicates Z: 53 43.057 2.396 1.127 0.362 0.885 0.442 CB 1.537 53 residues pruned to eliminate duplicates Z: 50 44.843 2.480 1.182 0.417 0.878 0.449 CB 1.471 50 residues pruned to eliminate duplicates Z: 49 43.075 2.491 1.192 0.406 0.854 0.500 CB 1.471 49 residues pruned to eliminate duplicates Z: 15 33.205 2.308 1.209 0.621 0.929 0.571 CB 1.673 15 residues pruned to eliminate duplicates Z: 36 41.295 2.475 1.268 0.480 0.886 0.429 CB 1.432 38 residues pruned to eliminate duplicates Z: 7 6.394 1.577 1.136 0.408 0.833 0.167 N 1.024 7 residues pruned to eliminate duplicates Z: 35 36.249 2.458 1.110 0.475 0.824 0.500 CB 1.493 35 residues pruned to eliminate duplicates Z: 39 37.316 2.395 1.206 0.427 0.895 0.526 CB 1.382 39 residues pruned to eliminate duplicates Z: 37 39.620 2.400 1.091 0.480 0.917 0.444 CB 1.465 37 residues pruned to eliminate duplicates Z: 37 35.812 2.390 1.098 0.468 0.861 0.583 CB 1.429 37 residues pruned to eliminate duplicates Z: 61 51.743 2.484 1.160 0.427 0.867 0.533 CB 1.551 61 residues pruned to eliminate duplicates Z: 36 43.003 2.451 1.285 0.485 0.914 0.514 CB 1.442 35 residues pruned to eliminate duplicates Z: 6 6.108 1.954 0.808 0.327 0.800 0.200 CB 1.168 6 residues pruned to eliminate duplicates Z: 50 47.007 2.408 1.255 0.490 0.837 0.551 CB 1.493 50 residues pruned to eliminate duplicates Z: 36 40.509 2.431 1.279 0.453 0.886 0.571 CB 1.464 36 residues pruned to eliminate duplicates Z: 86 77.981 2.486 0.982 0.583 0.918 0.647 CB 1.727 26 residues pruned to eliminate duplicates Z: 6 3.223 1.577 1.034 0.147 0.600 0.400 O 1.157 6 residues pruned to eliminate duplicates Z: 28 44.607 2.529 1.069 0.382 0.963 0.667 CB 1.930 28 residues pruned to eliminate duplicates Z: 110 99.130 2.538 1.150 0.505 0.936 0.633 CB 1.850 110 residues pruned to eliminate duplicates Z: 24 36.367 2.356 1.094 0.382 0.957 0.609 CB 1.822 24 residues pruned to eliminate duplicates Z: 44 43.461 2.373 1.038 0.350 0.907 0.488 CB 1.778 44 residues pruned to eliminate duplicates Z: 26 36.925 2.427 1.080 0.340 0.920 0.600 CB 1.893 26 residues pruned to eliminate duplicates Z: 26 28.425 2.338 1.122 0.263 0.840 0.600 CA 1.788 26 residues pruned to eliminate duplicates Z: 108 99.532 2.557 1.111 0.516 0.944 0.654 CB 1.859 108 residues pruned to eliminate duplicates Z: 49 58.004 2.503 1.151 0.389 0.938 0.604 CB 1.866 49 residues pruned to eliminate duplicates Z: 109 100.034 2.551 1.218 0.499 0.917 0.630 CB 1.857 109 residues pruned to eliminate duplicates Z: 92 88.510 2.498 1.187 0.492 0.901 0.637 CB 1.901 92 residues pruned to eliminate duplicates Z: 40 49.212 2.480 1.260 0.383 0.872 0.487 CB 1.826 40 residues pruned to eliminate duplicates Z: 109 92.923 2.515 1.119 0.511 0.917 0.630 CB 1.811 109 residues pruned to eliminate duplicates Z: 109 95.582 2.529 1.085 0.490 0.944 0.611 CB 1.866 109 residues pruned to eliminate duplicates Z: 38 56.124 2.508 1.259 0.415 0.919 0.622 CB 1.937 38 residues pruned to eliminate duplicates Z: 8 8.230 1.698 0.888 0.420 0.714 0.571 O 1.477 8 residues pruned to eliminate duplicates Z: 40 50.289 2.477 1.153 0.405 0.897 0.590 CB 1.860 40 residues pruned to eliminate duplicates Z: 107 103.694 2.558 1.193 0.525 0.934 0.604 CB 1.876 107 residues pruned to eliminate duplicates Z: 41 50.545 2.459 1.147 0.373 0.925 0.550 CB 1.875 41 residues pruned to eliminate duplicates Z: 109 96.162 2.546 1.104 0.507 0.926 0.704 CB 1.852 109 residues pruned to eliminate duplicates Z: 110 102.938 2.542 1.195 0.514 0.936 0.624 CB 1.862 108 residues pruned to eliminate duplicates Z: 6 3.949 2.051 0.469 0.197 0.600 0.200 CB 1.401 6 residues pruned to eliminate duplicates Z: 43 42.247 2.393 1.111 0.346 0.833 0.476 CB 1.830 43 residues pruned to eliminate duplicates Z: 39 48.506 2.477 1.175 0.393 0.868 0.632 CB 1.884 39 residues pruned to eliminate duplicates Z: 41 50.645 2.446 1.203 0.389 0.900 0.650 CB 1.858 41 residues pruned to eliminate duplicates Z: 24 30.539 2.353 1.070 0.392 0.870 0.565 CB 1.686 24 residues pruned to eliminate duplicates Z: 109 101.281 2.530 1.207 0.517 0.944 0.639 CB 1.817 109 residues pruned to eliminate duplicates Z: 39 49.956 2.504 1.301 0.389 0.868 0.553 CB 1.823 39 residues pruned to eliminate duplicates Z: 91 88.957 2.510 1.114 0.537 0.944 0.633 CB 1.804 91 residues pruned to eliminate duplicates Z: 41 49.024 2.443 1.218 0.403 0.875 0.600 CB 1.811 41 residues pruned to eliminate duplicates Z: 83 81.733 2.508 1.033 0.555 0.939 0.646 CB 1.788 83 residues pruned to eliminate duplicates Z: 13 21.595 2.212 1.049 0.473 0.833 0.417 CB 1.697 13 residues pruned to eliminate duplicates Z: 74 82.947 2.503 1.149 0.539 0.932 0.658 CB 1.865 74 residues pruned to eliminate duplicates Z: 49 58.192 2.521 1.123 0.401 0.938 0.625 CB 1.857 49 residues pruned to eliminate duplicates Z: 109 97.298 2.523 1.173 0.515 0.917 0.630 CB 1.835 109 residues pruned to eliminate duplicates Z: 69 89.728 2.588 1.158 0.581 0.956 0.632 CB 1.885 69 residues pruned to eliminate duplicates Z: 106 104.926 2.521 1.219 0.526 0.933 0.667 CB 1.911 106 residues pruned to eliminate duplicates Z: 108 92.037 2.510 1.183 0.476 0.916 0.626 CB 1.816 108 residues pruned to eliminate duplicates Z: 83 87.362 2.494 1.163 0.547 0.915 0.646 CB 1.868 83 residues pruned to eliminate duplicates Z: 10 23.757 2.583 1.058 0.426 0.889 0.667 CA 1.810 10 residues pruned to eliminate duplicates Z: 108 93.160 2.543 1.078 0.502 0.935 0.654 CB 1.821 108 residues pruned to eliminate duplicates Z: 109 95.561 2.531 1.101 0.506 0.907 0.639 CB 1.895 109 residues pruned to eliminate duplicates Z: 108 104.282 2.566 1.203 0.524 0.944 0.636 CB 1.846 108 residues pruned to eliminate duplicates Z: 71 86.758 2.550 1.178 0.582 0.943 0.657 CB 1.831 71 residues pruned to eliminate duplicates Z: 71 83.306 2.534 1.030 0.591 0.957 0.729 CB 1.855 71 residues pruned to eliminate duplicates Z: 82 85.429 2.516 1.119 0.528 0.938 0.654 CB 1.845 82 residues pruned to eliminate duplicates Z: 108 100.558 2.543 1.184 0.522 0.935 0.626 CB 1.833 108 residues pruned to eliminate duplicates Z: 108 98.387 2.552 1.158 0.509 0.944 0.664 CB 1.814 108 residues pruned to eliminate duplicates Z: 71 84.317 2.569 1.056 0.567 0.957 0.700 CB 1.868 71 residues pruned to eliminate duplicates Z: 107 107.110 2.565 1.199 0.540 0.934 0.613 CB 1.898 109 residues pruned to eliminate duplicates Z: 10 17.096 1.978 0.761 0.669 0.889 0.667 CB 1.575 10 residues pruned to eliminate duplicates Z: 69 77.907 2.492 1.096 0.534 0.956 0.632 CB 1.830 69 residues pruned to eliminate duplicates Z: 100 88.844 2.478 1.100 0.519 0.929 0.646 CB 1.811 100 residues pruned to eliminate duplicates Z: 68 80.614 2.566 1.095 0.525 0.955 0.687 CB 1.872 68 residues pruned to eliminate duplicates Z: 73 82.459 2.548 1.114 0.554 0.931 0.653 CB 1.839 73 residues pruned to eliminate duplicates Z: 72 85.167 2.539 1.172 0.571 0.944 0.648 CB 1.813 72 residues pruned to eliminate duplicates Z: 69 92.124 2.583 1.154 0.593 0.971 0.632 CB 1.892 69 residues pruned to eliminate duplicates Z: 108 92.131 2.530 1.036 0.493 0.935 0.626 CB 1.862 108 residues pruned to eliminate duplicates Z: 71 88.859 2.556 1.231 0.577 0.957 0.643 CB 1.806 71 residues pruned to eliminate duplicates Z: 70 85.884 2.565 1.094 0.595 0.957 0.580 CB 1.838 70 residues pruned to eliminate duplicates Z: 108 102.052 2.543 1.132 0.529 0.944 0.673 CB 1.874 108 residues pruned to eliminate duplicates Z: 91 90.869 2.551 1.077 0.535 0.956 0.589 CB 1.827 91 residues pruned to eliminate duplicates Z: 107 100.362 2.523 1.163 0.517 0.943 0.660 CB 1.862 107 residues pruned to eliminate duplicates Z: 26 57.643 2.585 0.824 0.847 1.000 0.720 CA 1.816 26 residues pruned to eliminate duplicates Z: 69 95.797 2.582 1.231 0.603 0.971 0.706 CB 1.884 69 residues pruned to eliminate duplicates Z: 69 91.367 2.598 1.104 0.607 0.971 0.706 CB 1.887 69 residues pruned to eliminate duplicates Z: 107 100.714 2.538 1.159 0.521 0.953 0.632 CB 1.835 107 residues pruned to eliminate duplicates Z: 69 89.785 2.580 1.132 0.588 0.956 0.676 CB 1.903 69 residues pruned to eliminate duplicates Z: 70 91.109 2.579 1.207 0.586 0.971 0.652 CB 1.828 70 residues pruned to eliminate duplicates Z: 71 92.626 2.554 1.208 0.578 0.957 0.686 CB 1.903 71 residues pruned to eliminate duplicates Z: 69 92.043 2.607 1.209 0.596 0.956 0.706 CB 1.850 69 residues pruned to eliminate duplicates Z: 83 90.053 2.544 1.166 0.555 0.939 0.634 CB 1.821 83 residues pruned to eliminate duplicates Z: 83 87.965 2.488 1.161 0.572 0.927 0.646 CB 1.819 83 residues pruned to eliminate duplicates Z: 70 90.636 2.580 1.151 0.583 0.971 0.696 CB 1.868 70 residues pruned to eliminate duplicates Z: 69 93.780 2.571 1.185 0.594 0.985 0.662 CB 1.879 69 residues pruned to eliminate duplicates Z: 70 88.552 2.561 1.164 0.580 0.942 0.638 CB 1.891 70 residues pruned to eliminate duplicates Z: 108 101.726 2.546 1.129 0.524 0.944 0.664 CB 1.877 108 residues pruned to eliminate duplicates Z: 70 86.949 2.558 1.164 0.580 0.928 0.623 CB 1.887 70 residues pruned to eliminate duplicates Z: 69 90.800 2.565 1.276 0.584 0.926 0.706 CB 1.878 69 residues pruned to eliminate duplicates Z: 69 93.502 2.599 1.168 0.601 0.971 0.676 CB 1.883 69 residues pruned to eliminate duplicates Z: 107 103.678 2.541 1.162 0.530 0.943 0.575 CB 1.887 107 residues pruned to eliminate duplicates Z: 69 93.055 2.600 1.172 0.599 0.971 0.588 CB 1.874 69 residues pruned to eliminate duplicates Z: 69 92.250 2.599 1.191 0.590 0.971 0.632 CB 1.857 69 residues pruned to eliminate duplicates Z: 82 90.968 2.522 1.125 0.558 0.951 0.580 CB 1.875 82 residues pruned to eliminate duplicates Z: 70 92.339 2.577 1.276 0.578 0.957 0.681 CB 1.838 70 residues pruned to eliminate duplicates Z: 50 90.299 2.597 1.259 0.674 0.980 0.694 CB 1.913 50 residues pruned to eliminate duplicates Z: 109 96.819 2.530 1.178 0.511 0.907 0.602 CB 1.843 109 residues pruned to eliminate duplicates Z: 71 87.623 2.560 1.159 0.580 0.943 0.714 CB 1.861 71 residues pruned to eliminate duplicates Z: 69 92.210 2.581 1.139 0.599 0.956 0.750 CB 1.928 69 residues pruned to eliminate duplicates Z: 110 100.115 2.517 1.195 0.519 0.927 0.679 CB 1.838 110 residues pruned to eliminate duplicates Z: 71 87.816 2.560 1.147 0.581 0.929 0.629 CB 1.902 71 residues pruned to eliminate duplicates Z: 70 85.868 2.579 1.111 0.586 0.942 0.681 CB 1.855 70 residues pruned to eliminate duplicates Z: 70 85.981 2.566 1.147 0.571 0.957 0.638 CB 1.835 70 residues pruned to eliminate duplicates Z: 110 98.433 2.574 1.032 0.560 0.945 0.642 CB 1.800 110 residues pruned to eliminate duplicates Z: 168 114.055 2.536 1.102 0.511 0.916 0.641 CB 1.789 169 residues pruned to eliminate duplicates Z: 6 3.094 1.616 0.225 0.451 0.800 0.600 CB 0.919 6 residues pruned to eliminate duplicates Z: 134 110.148 2.552 1.113 0.527 0.947 0.654 CB 1.820 134 residues pruned to eliminate duplicates Z: 52 50.111 2.500 0.889 0.532 0.863 0.549 CB 1.669 52 residues pruned to eliminate duplicates Z: 52 52.498 2.493 0.922 0.525 0.902 0.667 CB 1.660 52 residues pruned to eliminate duplicates Z: 52 52.877 2.504 0.896 0.510 0.902 0.706 CB 1.712 52 residues pruned to eliminate duplicates Z: 119 99.307 2.539 1.098 0.544 0.924 0.653 CB 1.779 119 residues pruned to eliminate duplicates Z: 46 48.209 2.472 0.915 0.500 0.911 0.578 CB 1.666 46 residues pruned to eliminate duplicates Z: 155 110.676 2.554 1.053 0.517 0.916 0.636 CB 1.827 155 residues pruned to eliminate duplicates Z: 119 103.212 2.564 1.089 0.568 0.932 0.636 CB 1.782 119 residues pruned to eliminate duplicates Z: 47 47.909 2.430 0.918 0.529 0.891 0.609 CB 1.652 47 residues pruned to eliminate duplicates Z: 79 53.236 2.398 0.977 0.462 0.872 0.513 CB 1.516 79 residues pruned to eliminate duplicates Z: 120 97.556 2.538 1.080 0.553 0.908 0.689 CB 1.772 120 residues pruned to eliminate duplicates Z: 51 51.497 2.505 0.885 0.504 0.900 0.700 CB 1.707 51 residues pruned to eliminate duplicates Z: 50 49.312 2.532 0.853 0.514 0.878 0.571 CB 1.688 50 residues pruned to eliminate duplicates Z: 45 50.363 2.492 0.989 0.516 0.909 0.591 CB 1.659 45 residues pruned to eliminate duplicates Z: 114 61.621 2.366 0.982 0.456 0.841 0.487 CB 1.538 114 residues pruned to eliminate duplicates Z: 46 44.899 2.481 0.866 0.513 0.889 0.622 CB 1.605 46 residues pruned to eliminate duplicates Z: 50 54.447 2.491 1.014 0.547 0.878 0.694 CB 1.688 50 residues pruned to eliminate duplicates Z: 96 97.398 2.590 1.127 0.579 0.947 0.642 CB 1.774 96 residues pruned to eliminate duplicates Z: 35 28.564 2.395 0.680 0.470 0.794 0.618 CB 1.580 35 residues pruned to eliminate duplicates Z: 51 51.561 2.479 1.002 0.533 0.860 0.660 CB 1.654 51 residues pruned to eliminate duplicates Z: 132 102.581 2.516 1.166 0.539 0.908 0.611 CB 1.743 132 residues pruned to eliminate duplicates Z: 49 47.551 2.497 0.899 0.549 0.875 0.604 CB 1.577 49 residues pruned to eliminate duplicates Z: 71 46.916 2.362 0.871 0.483 0.886 0.543 CB 1.458 71 residues pruned to eliminate duplicates Z: 47 33.867 2.321 0.902 0.410 0.826 0.522 CB 1.504 47 residues pruned to eliminate duplicates Z: 55 45.765 2.436 0.854 0.497 0.833 0.611 CB 1.660 55 residues pruned to eliminate duplicates Z: 119 97.882 2.543 1.080 0.539 0.924 0.619 CB 1.775 119 residues pruned to eliminate duplicates Z: 61 44.878 2.366 0.907 0.420 0.900 0.533 CB 1.551 61 residues pruned to eliminate duplicates Z: 46 34.244 2.305 0.822 0.422 0.844 0.644 CB 1.562 46 residues pruned to eliminate duplicates Z: 51 45.134 2.435 0.901 0.483 0.840 0.640 CB 1.669 51 residues pruned to eliminate duplicates Z: 156 106.874 2.521 1.059 0.521 0.916 0.671 CB 1.768 156 residues pruned to eliminate duplicates Z: 59 47.400 2.360 0.895 0.474 0.914 0.552 CB 1.564 59 residues pruned to eliminate duplicates Z: 46 33.787 2.369 0.779 0.429 0.844 0.556 CB 1.523 46 residues pruned to eliminate duplicates Z: 37 29.662 2.281 0.796 0.445 0.806 0.444 CB 1.586 37 residues pruned to eliminate duplicates Z: 42 33.724 2.302 0.812 0.469 0.854 0.634 CB 1.528 42 residues pruned to eliminate duplicates Z: 34 30.963 2.378 0.835 0.468 0.848 0.576 CB 1.503 34 residues pruned to eliminate duplicates Z: 131 98.385 2.537 1.064 0.540 0.915 0.662 CB 1.730 131 residues pruned to eliminate duplicates Z: 152 107.519 2.503 1.093 0.512 0.921 0.642 CB 1.792 152 residues pruned to eliminate duplicates Z: 48 33.979 2.284 0.917 0.407 0.830 0.596 CB 1.504 48 residues pruned to eliminate duplicates Z: 147 94.046 2.473 1.022 0.509 0.904 0.589 CB 1.706 147 residues pruned to eliminate duplicates Z: 180 107.104 2.469 1.078 0.494 0.911 0.620 CB 1.724 180 residues pruned to eliminate duplicates Z: 147 95.459 2.497 1.103 0.518 0.890 0.555 CB 1.660 147 residues pruned to eliminate duplicates Z: 51 50.587 2.494 1.003 0.513 0.900 0.640 CB 1.571 51 residues pruned to eliminate duplicates Z: 49 53.451 2.541 1.012 0.548 0.854 0.542 CB 1.686 49 residues pruned to eliminate duplicates Z: 160 91.891 2.456 0.990 0.488 0.899 0.597 CB 1.678 160 residues pruned to eliminate duplicates Z: 116 98.054 2.522 1.073 0.544 0.939 0.661 CB 1.783 116 residues pruned to eliminate duplicates Z: 75 48.373 2.296 0.975 0.436 0.905 0.581 CB 1.463 75 residues pruned to eliminate duplicates Z: 52 49.614 2.502 0.878 0.512 0.882 0.608 CB 1.656 52 residues pruned to eliminate duplicates Z: 37 30.111 2.372 0.749 0.442 0.833 0.500 CB 1.541 37 residues pruned to eliminate duplicates Z: 51 31.538 2.299 0.812 0.341 0.840 0.420 CB 1.516 51 residues pruned to eliminate duplicates Z: 58 41.483 2.330 0.896 0.503 0.842 0.491 CB 1.473 58 residues pruned to eliminate duplicates Z: 77 53.373 2.413 0.952 0.471 0.882 0.526 CB 1.518 77 residues pruned to eliminate duplicates Z: 76 57.434 2.456 0.905 0.484 0.907 0.653 CB 1.589 76 residues pruned to eliminate duplicates Z: 64 41.006 2.306 0.868 0.404 0.857 0.524 CB 1.548 64 residues pruned to eliminate duplicates Z: 22 18.319 2.150 0.666 0.349 0.905 0.476 CB 1.453 22 residues pruned to eliminate duplicates Z: 13 12.922 2.162 0.613 0.411 0.833 0.333 CB 1.409 13 residues pruned to eliminate duplicates Z: 13 14.415 2.148 0.951 0.326 0.833 0.583 CB 1.443 13 residues pruned to eliminate duplicates Z: 32 20.346 2.212 0.857 0.314 0.806 0.419 CB 1.355 32 residues pruned to eliminate duplicates Z: 30 21.414 2.204 0.849 0.321 0.828 0.483 CB 1.436 30 residues pruned to eliminate duplicates Z: 63 51.634 2.467 0.923 0.492 0.871 0.597 CB 1.600 63 residues pruned to eliminate duplicates Z: 25 28.505 2.371 0.967 0.359 0.958 0.458 CB 1.516 25 residues pruned to eliminate duplicates Z: 71 39.041 2.236 0.880 0.411 0.886 0.486 CB 1.375 71 residues pruned to eliminate duplicates Z: 64 41.536 2.281 0.981 0.425 0.873 0.492 CB 1.434 64 residues pruned to eliminate duplicates Z: 27 29.628 2.352 1.021 0.361 0.923 0.577 CB 1.538 27 residues pruned to eliminate duplicates Z: 64 43.721 2.281 1.051 0.413 0.905 0.492 CB 1.425 64 residues pruned to eliminate duplicates Z: 10 14.260 2.045 1.174 0.387 0.778 0.444 CB 1.548 10 residues pruned to eliminate duplicates Z: 21 28.249 2.292 1.075 0.415 0.950 0.450 CB 1.528 21 residues pruned to eliminate duplicates Z: 27 21.424 2.196 0.921 0.341 0.846 0.538 CB 1.399 27 residues pruned to eliminate duplicates Z: 16 15.282 2.263 0.998 0.334 0.800 0.467 CB 1.307 16 residues pruned to eliminate duplicates Z: 40 29.026 2.181 0.957 0.424 0.872 0.410 CB 1.352 40 residues pruned to eliminate duplicates Z: 66 38.208 2.226 1.013 0.393 0.892 0.554 CB 1.328 65 residues pruned to eliminate duplicates Z: 7 4.553 1.947 0.206 0.361 0.833 0.333 CB 1.103 7 residues pruned to eliminate duplicates Z: 11 9.484 2.077 0.604 0.268 0.800 0.400 CB 1.466 11 residues pruned to eliminate duplicates Z: 51 36.417 2.205 1.025 0.406 0.900 0.540 CB 1.414 51 residues pruned to eliminate duplicates Z: 63 35.486 2.272 0.918 0.382 0.839 0.581 CB 1.399 63 residues pruned to eliminate duplicates Z: 65 39.259 2.235 1.001 0.394 0.875 0.547 CB 1.403 65 residues pruned to eliminate duplicates Z: 35 18.705 2.066 0.715 0.317 0.853 0.441 CB 1.299 35 residues pruned to eliminate duplicates Z: 37 32.359 2.261 0.942 0.473 0.889 0.528 CB 1.421 37 residues pruned to eliminate duplicates Z: 53 38.547 2.259 1.130 0.434 0.865 0.519 CB 1.375 53 residues pruned to eliminate duplicates Z: 6 5.127 1.702 0.479 0.333 0.800 0.200 N 1.367 6 residues pruned to eliminate duplicates Z: 65 40.295 2.261 0.968 0.403 0.875 0.547 CB 1.433 65 residues pruned to eliminate duplicates Z: 37 31.534 2.232 1.063 0.478 0.861 0.472 CB 1.356 37 residues pruned to eliminate duplicates Z: 13 21.986 2.112 0.817 0.802 0.917 0.583 CB 1.386 13 residues pruned to eliminate duplicates Z: 114 64.244 2.383 0.975 0.450 0.885 0.575 CB 1.528 114 residues pruned to eliminate duplicates Z: 28 29.692 2.192 0.974 0.521 0.889 0.593 CB 1.454 28 residues pruned to eliminate duplicates Z: 30 22.584 2.000 0.879 0.460 0.897 0.448 CB 1.296 30 residues pruned to eliminate duplicates Z: 25 26.660 2.103 1.001 0.493 0.917 0.458 CB 1.421 25 residues pruned to eliminate duplicates Z: 62 42.877 2.296 1.088 0.414 0.885 0.607 CB 1.415 62 residues pruned to eliminate duplicates Z: 27 29.515 2.263 0.884 0.514 0.885 0.462 CB 1.514 27 residues pruned to eliminate duplicates Z: 25 24.519 2.099 1.061 0.487 0.875 0.500 CB 1.340 25 residues pruned to eliminate duplicates Z: 37 33.807 2.235 1.044 0.492 0.861 0.583 CB 1.445 37 residues pruned to eliminate duplicates Z: 47 34.465 2.215 1.109 0.423 0.848 0.565 CB 1.390 47 residues pruned to eliminate duplicates Z: 41 31.239 2.142 1.018 0.444 0.850 0.600 CB 1.423 41 residues pruned to eliminate duplicates Z: 37 36.617 2.241 1.128 0.494 0.889 0.583 CB 1.449 37 residues pruned to eliminate duplicates Z: 12 7.369 1.502 0.750 0.518 0.727 0.273 O 1.142 12 residues pruned to eliminate duplicates Z: 37 36.399 2.226 1.082 0.483 0.944 0.500 CB 1.411 37 residues pruned to eliminate duplicates Z: 54 36.537 2.227 1.020 0.405 0.887 0.509 CB 1.390 54 residues pruned to eliminate duplicates Z: 51 39.956 2.305 1.040 0.460 0.880 0.560 CB 1.422 51 residues pruned to eliminate duplicates Z: 114 65.195 2.384 0.983 0.452 0.903 0.566 CB 1.509 114 residues pruned to eliminate duplicates Z: 25 31.132 2.311 0.780 0.545 0.917 0.583 CB 1.612 25 residues pruned to eliminate duplicates Z: 26 29.417 2.228 0.867 0.507 0.920 0.680 CB 1.527 26 residues pruned to eliminate duplicates Z: 37 35.625 2.255 1.105 0.498 0.889 0.583 CB 1.410 37 residues pruned to eliminate duplicates Z: 38 31.855 2.212 1.002 0.460 0.892 0.568 CB 1.382 38 residues pruned to eliminate duplicates Z: 37 34.257 2.225 1.012 0.499 0.917 0.583 CB 1.392 37 residues pruned to eliminate duplicates Z: 15 15.966 2.202 0.800 0.385 0.857 0.571 CB 1.418 15 residues pruned to eliminate duplicates Z: 25 35.152 2.307 0.997 0.566 0.917 0.708 CB 1.594 25 residues pruned to eliminate duplicates 436 residues left after pruning, divided into chains as follows: A: 47 B: 170 C: 219 CC for partial structure against native data = 45.98 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.783, Connect. = 0.776 for dens.mod. cycle 1 = 0.300, Contrast = 0.891, Connect. = 0.803 for dens.mod. cycle 2 = 0.300, Contrast = 1.101, Connect. = 0.826 for dens.mod. cycle 3 = 0.300, Contrast = 1.132, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 1.158, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 1.165, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.173, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.176, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.178, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.178, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2771 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 592 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 71 58.322 2.486 1.102 0.420 0.914 0.500 CB 1.586 B: 24 61.835 2.563 0.955 0.917 1.000 0.783 CA 1.816 C: 23 62.352 2.672 0.861 0.918 1.000 0.864 CA 1.885 24 residues pruned to eliminate duplicates D: 12 11.896 2.263 1.314 0.398 0.636 0.545 CB 1.198 12 residues pruned to eliminate duplicates E: 24 49.134 2.522 0.653 0.906 1.000 0.826 CA 1.747 F: 23 65.039 2.680 0.961 0.917 1.000 0.727 CA 1.862 23 residues pruned to eliminate duplicates G: 23 58.400 2.595 0.871 0.884 0.955 0.818 CB 1.941 24 residues pruned to eliminate duplicates H: 68 50.638 2.415 1.190 0.399 0.821 0.522 CB 1.586 68 residues pruned to eliminate duplicates I: 21 65.928 2.767 0.845 0.912 1.000 0.900 CA 2.046 21 residues pruned to eliminate duplicates J: 13 47.718 2.560 1.145 0.924 1.000 0.750 CB 1.761 K: 22 61.673 2.744 0.783 0.929 1.000 0.905 CA 1.926 22 residues pruned to eliminate duplicates L: 24 63.520 2.559 0.974 0.915 1.000 0.870 CA 1.854 23 residues pruned to eliminate duplicates M: 19 43.003 2.467 0.871 0.830 1.000 0.833 CB 1.652 19 residues pruned to eliminate duplicates N: 24 55.258 2.569 0.763 0.907 1.000 0.826 CA 1.808 24 residues pruned to eliminate duplicates O: 16 50.517 2.489 1.340 0.873 1.000 0.733 CB 1.631 P: 15 47.433 2.594 1.333 0.771 0.929 0.786 CB 1.775 15 residues pruned to eliminate duplicates Q: 22 58.699 2.736 0.732 0.921 1.000 0.857 CA 1.902 22 residues pruned to eliminate duplicates R: 24 64.522 2.639 1.014 0.925 1.000 0.783 CA 1.776 24 residues pruned to eliminate duplicates S: 15 40.691 2.535 1.008 0.901 1.000 0.929 CB 1.524 13 residues pruned to eliminate duplicates T: 23 67.222 2.622 1.090 0.913 0.955 0.682 CA 1.939 24 residues pruned to eliminate duplicates U: 15 55.584 2.531 1.318 0.881 1.000 0.857 CB 1.834 16 residues pruned to eliminate duplicates V: 28 28.874 2.508 0.945 0.338 0.852 0.519 CB 1.595 28 residues pruned to eliminate duplicates W: 14 63.150 2.642 1.527 0.904 1.000 0.846 CB 1.868 15 residues pruned to eliminate duplicates X: 24 67.153 2.570 1.041 0.931 1.000 0.696 CB 1.866 24 residues pruned to eliminate duplicates Y: 15 39.549 2.481 1.114 0.908 0.929 0.714 CB 1.542 15 residues pruned to eliminate duplicates Z: 24 56.603 2.551 0.837 0.915 1.000 0.870 CA 1.780 24 residues pruned to eliminate duplicates Z: 15 45.593 2.490 1.019 0.876 1.000 0.714 CA 1.762 15 residues pruned to eliminate duplicates Z: 16 21.109 2.311 0.835 0.367 0.933 0.533 CB 1.589 16 residues pruned to eliminate duplicates Z: 23 64.519 2.668 0.947 0.933 1.000 0.818 CA 1.849 23 residues pruned to eliminate duplicates Z: 23 72.027 2.687 1.115 0.900 1.000 0.682 CA 1.931 23 residues pruned to eliminate duplicates Z: 16 30.574 2.404 0.787 0.909 0.933 0.800 CB 1.397 16 residues pruned to eliminate duplicates Z: 23 55.972 2.636 0.734 0.928 1.000 0.909 CA 1.828 23 residues pruned to eliminate duplicates Z: 48 39.469 2.397 0.785 0.541 0.872 0.617 CB 1.482 15 residues pruned to eliminate duplicates Z: 107 99.921 2.559 1.100 0.513 0.953 0.623 CB 1.870 23 residues pruned to eliminate duplicates Z: 13 35.884 2.319 1.066 0.820 1.000 0.667 CA 1.638 13 residues pruned to eliminate duplicates Z: 23 67.562 2.677 1.130 0.881 0.955 0.864 CA 1.915 23 residues pruned to eliminate duplicates Z: 16 50.206 2.489 1.310 0.823 1.000 0.600 CB 1.704 16 residues pruned to eliminate duplicates Z: 23 52.623 2.625 0.621 0.928 1.000 0.955 CA 1.846 23 residues pruned to eliminate duplicates Z: 15 35.513 2.426 0.884 0.865 1.000 0.857 CB 1.520 15 residues pruned to eliminate duplicates Z: 23 66.283 2.646 0.946 0.926 1.000 0.727 CB 1.924 23 residues pruned to eliminate duplicates Z: 11 22.691 2.237 0.744 0.717 1.000 0.600 CB 1.512 Z: 23 57.014 2.628 0.894 0.878 0.955 0.727 CB 1.856 24 residues pruned to eliminate duplicates Z: 31 28.652 2.345 0.885 0.335 0.900 0.600 CB 1.575 31 residues pruned to eliminate duplicates Z: 23 64.741 2.587 1.010 0.903 0.955 0.591 CA 1.982 22 residues pruned to eliminate duplicates Z: 11 19.716 2.144 0.739 0.735 0.900 0.400 CB 1.505 11 residues pruned to eliminate duplicates Z: 109 91.192 2.489 1.080 0.514 0.944 0.639 CB 1.771 23 residues pruned to eliminate duplicates Z: 23 68.919 2.655 1.098 0.920 1.000 0.773 CA 1.857 23 residues pruned to eliminate duplicates Z: 23 63.432 2.582 0.965 0.932 1.000 0.818 CB 1.861 23 residues pruned to eliminate duplicates Z: 107 105.840 2.566 1.116 0.528 0.962 0.689 CB 1.914 107 residues pruned to eliminate duplicates Z: 50 52.578 2.522 0.961 0.543 0.898 0.714 CB 1.623 48 residues pruned to eliminate duplicates Z: 66 91.868 2.596 1.103 0.620 0.985 0.631 CB 1.893 66 residues pruned to eliminate duplicates Z: 22 70.182 2.687 1.213 0.923 1.000 0.714 CA 1.809 22 residues pruned to eliminate duplicates Z: 109 86.364 2.486 0.990 0.529 0.935 0.602 CB 1.746 109 residues pruned to eliminate duplicates Z: 48 51.010 2.576 1.000 0.471 0.851 0.574 CB 1.749 35 residues pruned to eliminate duplicates Z: 49 52.237 2.389 1.029 0.445 0.938 0.646 CB 1.756 51 residues pruned to eliminate duplicates Z: 24 56.445 2.600 0.929 0.925 0.957 0.783 CA 1.721 24 residues pruned to eliminate duplicates Z: 22 29.464 2.302 0.971 0.389 0.952 0.619 CB 1.674 22 residues pruned to eliminate duplicates Z: 69 89.645 2.565 1.115 0.608 0.971 0.676 CB 1.864 69 residues pruned to eliminate duplicates Z: 62 74.750 2.522 1.091 0.605 0.918 0.672 CB 1.789 59 residues pruned to eliminate duplicates Z: 15 31.217 2.487 0.994 0.791 0.929 0.643 CB 1.403 15 residues pruned to eliminate duplicates Z: 40 43.299 2.419 0.998 0.379 0.897 0.564 CB 1.817 40 residues pruned to eliminate duplicates Z: 23 68.496 2.673 1.012 0.908 1.000 0.682 CA 1.929 23 residues pruned to eliminate duplicates Z: 35 35.094 2.477 1.051 0.461 0.824 0.471 CB 1.497 35 residues pruned to eliminate duplicates Z: 49 39.306 2.451 0.983 0.451 0.812 0.521 CB 1.511 49 residues pruned to eliminate duplicates Z: 23 52.133 2.619 0.604 0.905 1.000 0.864 CA 1.883 23 residues pruned to eliminate duplicates Z: 17 13.841 2.195 0.930 0.306 0.812 0.375 CB 1.248 Z: 109 102.278 2.554 1.180 0.517 0.935 0.611 CB 1.859 107 residues pruned to eliminate duplicates Z: 109 84.914 2.493 1.007 0.516 0.907 0.685 CB 1.772 111 residues pruned to eliminate duplicates Z: 23 69.041 2.657 1.053 0.915 1.000 0.818 CA 1.906 23 residues pruned to eliminate duplicates Z: 15 19.451 2.507 0.595 0.823 0.714 0.571 CB 1.376 15 residues pruned to eliminate duplicates Z: 109 85.609 2.506 1.037 0.509 0.935 0.676 CB 1.710 109 residues pruned to eliminate duplicates Z: 22 73.798 2.755 1.028 0.928 1.000 0.762 CA 2.018 22 residues pruned to eliminate duplicates Z: 53 56.418 2.419 1.080 0.385 0.962 0.519 CB 1.828 54 residues pruned to eliminate duplicates Z: 13 29.147 2.308 1.056 0.798 0.917 0.333 CB 1.491 13 residues pruned to eliminate duplicates Z: 41 31.493 2.153 1.069 0.418 0.925 0.450 CB 1.316 17 residues pruned to eliminate duplicates Z: 67 57.129 2.420 1.014 0.497 0.879 0.576 CB 1.646 59 residues pruned to eliminate duplicates Z: 13 28.291 2.205 0.806 0.785 1.000 0.750 CA 1.596 13 residues pruned to eliminate duplicates Z: 74 82.486 2.536 1.097 0.562 0.959 0.671 CB 1.782 74 residues pruned to eliminate duplicates Z: 26 26.353 2.276 0.937 0.292 0.880 0.640 CA 1.716 26 residues pruned to eliminate duplicates Z: 107 91.328 2.511 1.061 0.529 0.934 0.708 CB 1.784 107 residues pruned to eliminate duplicates Z: 28 38.292 2.494 1.013 0.368 0.926 0.667 CB 1.825 28 residues pruned to eliminate duplicates Z: 108 98.369 2.549 1.200 0.520 0.916 0.626 CB 1.815 108 residues pruned to eliminate duplicates Z: 62 56.890 2.566 1.019 0.446 0.852 0.607 CB 1.743 62 residues pruned to eliminate duplicates Z: 38 49.302 2.448 1.206 0.415 0.946 0.514 CB 1.734 38 residues pruned to eliminate duplicates Z: 23 54.825 2.565 0.855 0.924 0.909 0.727 CB 1.898 23 residues pruned to eliminate duplicates Z: 12 21.788 1.972 0.764 0.784 1.000 0.727 CB 1.470 Z: 11 18.757 2.135 0.629 0.676 1.000 0.700 CB 1.450 11 residues pruned to eliminate duplicates Z: 49 51.224 2.505 0.982 0.396 0.896 0.583 CB 1.855 49 residues pruned to eliminate duplicates Z: 39 54.667 2.477 1.250 0.428 0.895 0.553 CB 1.916 39 residues pruned to eliminate duplicates Z: 72 80.887 2.551 0.978 0.570 0.958 0.634 CB 1.857 72 residues pruned to eliminate duplicates Z: 48 47.512 2.410 1.037 0.412 0.894 0.574 CB 1.732 48 residues pruned to eliminate duplicates Z: 33 40.475 2.433 1.080 0.368 0.906 0.562 CB 1.797 33 residues pruned to eliminate duplicates Z: 59 73.961 2.548 0.966 0.630 0.931 0.690 CB 1.844 59 residues pruned to eliminate duplicates Z: 109 88.407 2.509 1.087 0.505 0.935 0.667 CB 1.728 109 residues pruned to eliminate duplicates Z: 51 35.916 2.218 1.017 0.438 0.860 0.440 CB 1.407 63 residues pruned to eliminate duplicates Z: 84 76.642 2.461 1.048 0.544 0.928 0.651 CB 1.723 84 residues pruned to eliminate duplicates Z: 13 42.186 2.683 1.011 0.905 1.000 0.583 CB 1.607 13 residues pruned to eliminate duplicates Z: 62 45.411 2.478 1.030 0.387 0.852 0.541 CB 1.529 62 residues pruned to eliminate duplicates Z: 15 40.671 2.479 1.080 0.862 0.929 0.857 CB 1.667 15 residues pruned to eliminate duplicates Z: 57 50.034 2.446 1.208 0.428 0.857 0.482 CB 1.556 57 residues pruned to eliminate duplicates Z: 27 47.798 2.529 1.251 0.392 0.923 0.654 CB 1.999 27 residues pruned to eliminate duplicates Z: 22 29.660 2.489 1.061 0.405 0.857 0.571 CB 1.627 22 residues pruned to eliminate duplicates Z: 67 88.756 2.580 1.078 0.618 0.970 0.727 CB 1.881 67 residues pruned to eliminate duplicates Z: 11 19.317 2.256 0.521 0.807 1.000 0.800 CB 1.362 11 residues pruned to eliminate duplicates Z: 108 92.629 2.503 1.030 0.537 0.972 0.692 CB 1.749 108 residues pruned to eliminate duplicates Z: 51 44.778 2.480 0.832 0.510 0.840 0.560 CB 1.643 51 residues pruned to eliminate duplicates Z: 131 97.456 2.528 1.038 0.540 0.938 0.654 CB 1.700 133 residues pruned to eliminate duplicates Z: 14 30.433 2.142 1.034 0.799 1.000 0.692 CA 1.492 14 residues pruned to eliminate duplicates Z: 15 37.022 2.477 0.858 0.913 0.929 0.786 CB 1.639 15 residues pruned to eliminate duplicates Z: 27 37.195 2.568 0.988 0.505 0.846 0.731 CB 1.681 23 residues pruned to eliminate duplicates Z: 13 40.085 2.524 0.893 0.908 1.000 0.917 CB 1.719 13 residues pruned to eliminate duplicates Z: 82 80.715 2.496 1.068 0.556 0.938 0.704 CB 1.754 82 residues pruned to eliminate duplicates Z: 74 75.283 2.515 1.007 0.548 0.945 0.562 CB 1.762 74 residues pruned to eliminate duplicates Z: 16 15.837 2.119 0.598 0.362 0.933 0.667 CB 1.502 16 residues pruned to eliminate duplicates Z: 22 44.608 2.637 1.078 0.603 0.952 0.619 CB 1.691 22 residues pruned to eliminate duplicates Z: 82 77.178 2.492 1.033 0.568 0.926 0.654 CB 1.711 82 residues pruned to eliminate duplicates Z: 23 69.088 2.634 1.100 0.903 1.000 0.500 CA 1.898 23 residues pruned to eliminate duplicates Z: 6 7.787 2.096 0.262 0.760 0.800 0.400 CB 1.307 6 residues pruned to eliminate duplicates Z: 19 38.090 2.479 0.568 0.885 0.944 0.889 CA 1.766 19 residues pruned to eliminate duplicates Z: 83 80.468 2.513 1.061 0.562 0.915 0.598 CB 1.767 83 residues pruned to eliminate duplicates Z: 51 67.709 2.662 1.145 0.548 0.880 0.620 CB 1.819 52 residues pruned to eliminate duplicates Z: 40 79.356 2.649 1.203 0.695 0.949 0.692 CB 1.921 40 residues pruned to eliminate duplicates Z: 22 53.924 2.660 1.376 0.610 0.952 0.476 CB 1.762 22 residues pruned to eliminate duplicates Z: 23 70.294 2.637 1.109 0.928 1.000 0.636 CB 1.887 23 residues pruned to eliminate duplicates Z: 12 23.329 2.011 0.788 0.832 1.000 0.818 CB 1.469 Z: 50 66.004 2.654 1.100 0.554 0.918 0.673 CB 1.748 50 residues pruned to eliminate duplicates Z: 109 87.358 2.513 0.974 0.521 0.944 0.648 CB 1.756 109 residues pruned to eliminate duplicates Z: 77 68.741 2.432 1.046 0.455 0.947 0.671 CB 1.752 77 residues pruned to eliminate duplicates Z: 52 32.418 2.201 0.809 0.430 0.863 0.529 CB 1.420 52 residues pruned to eliminate duplicates Z: 23 60.335 2.665 0.869 0.940 0.955 0.773 CA 1.879 23 residues pruned to eliminate duplicates Z: 40 50.828 2.474 1.123 0.402 0.923 0.538 CB 1.861 40 residues pruned to eliminate duplicates Z: 60 77.144 2.558 1.011 0.636 0.949 0.661 CB 1.812 60 residues pruned to eliminate duplicates Z: 13 32.815 2.283 1.088 0.745 1.000 0.417 CA 1.596 13 residues pruned to eliminate duplicates Z: 25 19.087 2.065 1.029 0.290 0.833 0.417 CB 1.413 25 residues pruned to eliminate duplicates Z: 83 64.346 2.503 1.066 0.447 0.878 0.610 CB 1.652 83 residues pruned to eliminate duplicates Z: 36 47.153 2.488 1.123 0.418 0.943 0.629 CB 1.742 35 residues pruned to eliminate duplicates Z: 11 6.761 1.841 0.387 0.415 0.800 0.400 CB 1.145 11 residues pruned to eliminate duplicates Z: 109 87.800 2.509 1.009 0.512 0.944 0.667 CB 1.753 109 residues pruned to eliminate duplicates Z: 22 70.794 2.719 1.104 0.931 0.952 0.667 CA 1.981 22 residues pruned to eliminate duplicates Z: 14 25.704 2.078 0.962 0.765 0.923 0.462 CA 1.497 14 residues pruned to eliminate duplicates Z: 10 14.362 2.184 0.469 0.779 0.778 0.667 CB 1.500 10 residues pruned to eliminate duplicates Z: 82 78.184 2.486 0.949 0.561 0.951 0.593 CB 1.776 82 residues pruned to eliminate duplicates Z: 23 82.691 2.662 1.332 0.916 1.000 0.636 CA 2.006 23 residues pruned to eliminate duplicates Z: 13 29.116 2.250 0.894 0.832 0.917 0.583 CA 1.615 13 residues pruned to eliminate duplicates Z: 108 91.484 2.494 1.011 0.537 0.944 0.701 CB 1.801 108 residues pruned to eliminate duplicates Z: 48 57.846 2.524 1.131 0.412 0.936 0.660 CB 1.838 48 residues pruned to eliminate duplicates Z: 109 84.871 2.490 1.043 0.511 0.917 0.620 CB 1.733 109 residues pruned to eliminate duplicates Z: 10 21.302 2.351 0.476 0.868 1.000 0.889 CB 1.496 10 residues pruned to eliminate duplicates Z: 112 96.912 2.496 1.117 0.509 0.937 0.658 CB 1.841 112 residues pruned to eliminate duplicates Z: 14 24.343 2.113 0.979 0.779 0.923 0.615 CA 1.368 14 residues pruned to eliminate duplicates Z: 10 20.912 2.317 0.792 0.862 0.889 0.778 CB 1.387 10 residues pruned to eliminate duplicates Z: 10 16.248 2.421 0.533 0.468 0.889 0.667 CB 1.695 10 residues pruned to eliminate duplicates Z: 110 82.061 2.484 0.957 0.499 0.917 0.615 CB 1.763 110 residues pruned to eliminate duplicates Z: 10 15.442 2.281 0.645 0.802 0.889 0.556 CB 1.185 10 residues pruned to eliminate duplicates Z: 38 25.217 2.256 1.072 0.300 0.838 0.514 CB 1.324 38 residues pruned to eliminate duplicates Z: 21 18.631 2.221 1.042 0.327 0.800 0.550 CB 1.389 21 residues pruned to eliminate duplicates Z: 108 97.622 2.580 1.126 0.510 0.925 0.636 CB 1.841 108 residues pruned to eliminate duplicates Z: 47 57.690 2.540 1.085 0.412 0.913 0.630 CB 1.930 48 residues pruned to eliminate duplicates Z: 12 29.197 2.289 0.942 0.778 1.000 0.818 CA 1.550 12 residues pruned to eliminate duplicates Z: 12 28.238 2.261 1.060 0.765 0.909 0.727 CA 1.589 12 residues pruned to eliminate duplicates Z: 82 78.457 2.478 0.952 0.572 0.951 0.716 CB 1.769 82 residues pruned to eliminate duplicates Z: 17 44.361 2.625 0.608 0.937 1.000 1.000 CA 1.828 17 residues pruned to eliminate duplicates Z: 12 26.065 2.057 0.875 0.826 1.000 0.818 CB 1.538 12 residues pruned to eliminate duplicates Z: 23 58.983 2.637 0.734 0.945 1.000 0.909 CA 1.903 23 residues pruned to eliminate duplicates Z: 84 73.731 2.453 1.015 0.548 0.916 0.627 CB 1.707 84 residues pruned to eliminate duplicates Z: 70 87.300 2.580 1.118 0.596 0.957 0.710 CB 1.834 70 residues pruned to eliminate duplicates Z: 27 27.443 2.231 0.864 0.567 0.846 0.577 CB 1.433 14 residues pruned to eliminate duplicates Z: 9 22.520 2.151 1.036 0.735 1.000 0.625 CA 1.472 9 residues pruned to eliminate duplicates Z: 112 59.661 2.355 0.945 0.464 0.865 0.523 CB 1.482 137 residues pruned to eliminate duplicates Z: 24 51.112 2.529 0.684 0.915 1.000 0.826 CA 1.769 24 residues pruned to eliminate duplicates Z: 39 50.891 2.479 1.144 0.400 0.921 0.632 CB 1.873 39 residues pruned to eliminate duplicates Z: 19 7.848 1.862 0.693 0.228 0.778 0.500 CB 1.036 19 residues pruned to eliminate duplicates Z: 108 102.669 2.572 1.146 0.515 0.953 0.607 CB 1.858 108 residues pruned to eliminate duplicates Z: 25 31.821 2.390 0.888 0.552 0.917 0.625 CB 1.493 25 residues pruned to eliminate duplicates Z: 25 33.693 2.355 0.936 0.385 0.958 0.583 CB 1.780 25 residues pruned to eliminate duplicates Z: 27 31.923 2.378 1.055 0.502 0.885 0.462 CB 1.445 27 residues pruned to eliminate duplicates Z: 17 8.778 2.041 0.433 0.228 0.750 0.500 CB 1.375 17 residues pruned to eliminate duplicates Z: 6 8.866 2.107 0.168 0.699 1.000 0.600 CA 1.343 6 residues pruned to eliminate duplicates Z: 69 83.764 2.562 1.129 0.606 0.956 0.765 CB 1.761 70 residues pruned to eliminate duplicates Z: 108 100.016 2.568 1.136 0.531 0.935 0.664 CB 1.829 108 residues pruned to eliminate duplicates Z: 23 66.878 2.670 1.010 0.916 1.000 0.636 CA 1.875 23 residues pruned to eliminate duplicates Z: 51 45.169 2.371 0.981 0.404 0.920 0.560 CB 1.636 51 residues pruned to eliminate duplicates Z: 109 96.687 2.566 1.137 0.510 0.917 0.667 CB 1.832 109 residues pruned to eliminate duplicates Z: 64 44.477 2.255 1.029 0.449 0.905 0.524 CB 1.426 64 residues pruned to eliminate duplicates Z: 12 22.220 2.060 0.657 0.799 1.000 0.818 CB 1.510 Z: 27 38.890 2.485 1.025 0.399 0.962 0.654 CB 1.754 27 residues pruned to eliminate duplicates Z: 108 99.469 2.561 1.137 0.522 0.916 0.673 CB 1.877 108 residues pruned to eliminate duplicates Z: 13 19.835 1.922 0.785 0.809 0.917 0.750 CA 1.391 12 residues pruned to eliminate duplicates Z: 22 69.986 2.693 1.075 0.941 1.000 0.762 CB 1.897 22 residues pruned to eliminate duplicates Z: 16 25.989 2.296 1.131 0.505 0.933 0.667 CB 1.463 16 residues pruned to eliminate duplicates Z: 12 22.428 2.417 0.814 0.458 0.909 0.727 CA 1.770 12 residues pruned to eliminate duplicates Z: 107 88.110 2.517 0.983 0.516 0.953 0.689 CB 1.772 107 residues pruned to eliminate duplicates Z: 13 18.567 2.218 0.844 0.477 0.917 0.583 CB 1.463 Z: 6 8.611 2.297 0.333 0.475 1.000 0.800 CB 1.290 Z: 6 10.905 1.759 0.985 0.677 0.800 0.800 CA 1.484 6 residues pruned to eliminate duplicates Z: 11 22.908 2.433 0.834 0.391 1.000 0.800 CA 1.822 11 residues pruned to eliminate duplicates Z: 49 61.304 2.611 1.030 0.544 0.896 0.646 CB 1.785 49 residues pruned to eliminate duplicates Z: 71 79.942 2.554 1.101 0.567 0.914 0.643 CB 1.826 71 residues pruned to eliminate duplicates Z: 81 60.339 2.511 0.972 0.454 0.887 0.575 CB 1.609 81 residues pruned to eliminate duplicates Z: 113 72.524 2.480 1.052 0.439 0.893 0.464 CB 1.606 113 residues pruned to eliminate duplicates Z: 109 87.970 2.498 1.065 0.507 0.944 0.676 CB 1.725 109 residues pruned to eliminate duplicates Z: 11 6.479 1.720 0.691 0.295 0.800 0.400 CB 1.107 11 residues pruned to eliminate duplicates Z: 107 104.703 2.577 1.166 0.528 0.962 0.623 CB 1.842 107 residues pruned to eliminate duplicates Z: 86 43.370 2.282 0.803 0.409 0.871 0.565 CB 1.444 86 residues pruned to eliminate duplicates Z: 13 19.923 1.947 0.815 0.756 0.917 0.750 CB 1.414 14 residues pruned to eliminate duplicates Z: 6 9.479 2.046 0.546 0.730 0.800 0.400 CA 1.362 6 residues pruned to eliminate duplicates Z: 47 70.080 2.614 1.069 0.609 0.957 0.739 CB 1.801 47 residues pruned to eliminate duplicates Z: 36 35.254 2.382 0.988 0.471 0.886 0.514 CB 1.463 36 residues pruned to eliminate duplicates Z: 26 31.765 2.327 0.983 0.375 0.920 0.520 CB 1.711 26 residues pruned to eliminate duplicates Z: 20 21.376 2.243 0.780 0.457 0.842 0.579 CB 1.524 20 residues pruned to eliminate duplicates Z: 109 97.786 2.555 1.096 0.530 0.935 0.676 CB 1.825 109 residues pruned to eliminate duplicates Z: 72 71.323 2.475 1.059 0.558 0.915 0.634 CB 1.716 72 residues pruned to eliminate duplicates Z: 107 94.448 2.549 1.120 0.513 0.915 0.670 CB 1.832 107 residues pruned to eliminate duplicates Z: 110 83.911 2.468 1.044 0.511 0.917 0.633 CB 1.718 110 residues pruned to eliminate duplicates Z: 10 33.997 2.357 1.069 0.845 1.000 0.556 CB 1.728 10 residues pruned to eliminate duplicates Z: 11 21.594 2.184 1.015 0.842 0.900 0.700 CB 1.285 11 residues pruned to eliminate duplicates Z: 10 23.778 2.414 0.743 0.853 0.889 0.778 CB 1.567 10 residues pruned to eliminate duplicates Z: 23 76.028 2.634 1.170 0.936 1.000 0.636 CA 1.976 23 residues pruned to eliminate duplicates Z: 70 76.073 2.534 0.957 0.584 0.942 0.754 CB 1.808 70 residues pruned to eliminate duplicates Z: 18 21.963 2.439 1.227 0.311 0.824 0.529 CB 1.468 18 residues pruned to eliminate duplicates Z: 17 8.094 2.109 0.628 0.268 0.750 0.375 CB 1.023 17 residues pruned to eliminate duplicates Z: 108 85.364 2.493 1.101 0.503 0.907 0.673 CB 1.732 108 residues pruned to eliminate duplicates Z: 11 7.351 2.174 0.689 0.213 0.800 0.200 CB 1.110 11 residues pruned to eliminate duplicates Z: 80 63.829 2.426 1.024 0.429 0.924 0.658 CB 1.703 80 residues pruned to eliminate duplicates Z: 52 43.695 2.338 1.020 0.371 0.902 0.608 CB 1.650 52 residues pruned to eliminate duplicates Z: 108 88.423 2.511 1.011 0.526 0.944 0.710 CB 1.748 108 residues pruned to eliminate duplicates Z: 8 19.456 2.382 1.318 0.463 0.857 0.714 CB 1.613 8 residues pruned to eliminate duplicates Z: 110 88.912 2.469 1.033 0.535 0.945 0.679 CB 1.734 110 residues pruned to eliminate duplicates Z: 16 33.110 2.334 0.619 0.917 1.000 0.867 CA 1.598 16 residues pruned to eliminate duplicates Z: 95 97.550 2.577 1.083 0.616 0.915 0.670 CB 1.836 95 residues pruned to eliminate duplicates Z: 16 28.675 2.325 1.310 0.497 0.867 0.733 CB 1.596 16 residues pruned to eliminate duplicates Z: 110 94.735 2.534 1.109 0.493 0.945 0.633 CB 1.810 110 residues pruned to eliminate duplicates Z: 18 38.365 2.597 0.910 0.722 0.882 0.588 CA 1.740 18 residues pruned to eliminate duplicates Z: 11 42.878 2.767 0.889 0.913 1.000 1.000 CB 1.837 11 residues pruned to eliminate duplicates Z: 6 5.719 2.025 0.184 0.502 0.800 0.600 CB 1.331 Z: 16 19.564 2.182 0.709 0.424 0.933 0.533 CA 1.570 16 residues pruned to eliminate duplicates Z: 58 59.826 2.482 1.120 0.419 0.947 0.561 CB 1.729 58 residues pruned to eliminate duplicates Z: 11 30.978 2.194 0.968 0.826 1.000 0.700 CA 1.710 11 residues pruned to eliminate duplicates Z: 11 22.687 2.128 0.753 0.827 0.900 0.800 CB 1.610 11 residues pruned to eliminate duplicates Z: 11 16.895 2.250 0.581 0.522 0.900 0.700 CA 1.633 11 residues pruned to eliminate duplicates Z: 15 34.516 2.448 1.087 0.864 0.929 0.643 CB 1.426 15 residues pruned to eliminate duplicates Z: 27 27.093 2.438 0.996 0.377 0.808 0.500 CB 1.541 27 residues pruned to eliminate duplicates Z: 70 78.772 2.575 1.047 0.588 0.913 0.609 CB 1.810 70 residues pruned to eliminate duplicates Z: 28 29.967 2.452 0.938 0.516 0.778 0.481 CB 1.535 28 residues pruned to eliminate duplicates Z: 23 48.013 2.530 0.583 0.933 0.955 0.864 CA 1.869 23 residues pruned to eliminate duplicates Z: 48 45.367 2.430 1.068 0.380 0.894 0.617 CB 1.674 48 residues pruned to eliminate duplicates Z: 9 17.453 2.407 0.928 0.832 0.625 0.500 CB 1.597 Z: 40 30.119 2.262 0.834 0.397 0.821 0.538 CB 1.580 55 residues pruned to eliminate duplicates Z: 106 58.117 2.365 0.923 0.462 0.867 0.552 CB 1.496 106 residues pruned to eliminate duplicates Z: 47 33.122 2.213 0.902 0.417 0.891 0.478 CB 1.420 25 residues pruned to eliminate duplicates Z: 62 45.222 2.422 0.980 0.398 0.869 0.541 CB 1.547 62 residues pruned to eliminate duplicates Z: 23 58.400 2.646 0.782 0.922 1.000 0.864 CA 1.857 23 residues pruned to eliminate duplicates Z: 48 33.241 2.443 0.860 0.323 0.851 0.596 CB 1.523 48 residues pruned to eliminate duplicates Z: 43 47.703 2.395 1.196 0.350 0.929 0.548 CB 1.772 43 residues pruned to eliminate duplicates Z: 47 42.481 2.453 0.927 0.535 0.826 0.609 CB 1.550 47 residues pruned to eliminate duplicates Z: 23 27.150 2.306 1.030 0.358 0.864 0.545 CB 1.668 23 residues pruned to eliminate duplicates Z: 29 38.760 2.436 0.758 0.536 0.964 0.643 CB 1.712 29 residues pruned to eliminate duplicates Z: 8 12.008 2.158 1.011 0.525 0.857 0.714 CB 1.190 8 residues pruned to eliminate duplicates Z: 11 21.919 2.135 0.783 0.791 0.900 0.300 CB 1.567 11 residues pruned to eliminate duplicates Z: 15 10.508 1.968 0.812 0.300 0.786 0.571 CB 1.253 15 residues pruned to eliminate duplicates Z: 24 33.476 2.472 1.103 0.532 0.826 0.435 CB 1.574 24 residues pruned to eliminate duplicates Z: 16 33.705 2.400 1.138 0.439 1.000 0.733 CB 1.807 16 residues pruned to eliminate duplicates Z: 9 9.077 1.983 0.744 0.499 0.875 0.625 CB 1.061 9 residues pruned to eliminate duplicates Z: 76 57.274 2.512 1.033 0.447 0.813 0.560 CB 1.682 76 residues pruned to eliminate duplicates Z: 8 12.777 2.091 0.439 0.745 0.857 0.286 CB 1.505 8 residues pruned to eliminate duplicates Z: 44 75.317 2.592 1.167 0.661 0.907 0.674 CB 1.942 44 residues pruned to eliminate duplicates Z: 7 4.397 1.742 0.370 0.362 0.667 0.500 CA 1.309 7 residues pruned to eliminate duplicates Z: 10 14.885 1.827 0.455 0.803 1.000 0.667 CB 1.433 10 residues pruned to eliminate duplicates Z: 25 37.206 2.438 1.144 0.568 0.875 0.667 CB 1.554 25 residues pruned to eliminate duplicates Z: 9 8.747 1.728 0.497 0.772 0.750 0.625 CB 1.253 9 residues pruned to eliminate duplicates Z: 76 41.150 2.276 0.877 0.400 0.853 0.547 CB 1.447 76 residues pruned to eliminate duplicates Z: 43 77.742 2.624 1.204 0.666 0.952 0.738 CB 1.867 43 residues pruned to eliminate duplicates Z: 27 17.801 2.129 1.015 0.263 0.731 0.538 CB 1.461 27 residues pruned to eliminate duplicates Z: 52 48.044 2.429 1.153 0.408 0.902 0.431 CB 1.570 52 residues pruned to eliminate duplicates Z: 32 46.379 2.453 1.056 0.440 0.935 0.548 CB 1.879 32 residues pruned to eliminate duplicates Z: 91 91.520 2.485 1.069 0.570 0.978 0.667 CB 1.793 90 residues pruned to eliminate duplicates Z: 37 27.412 2.218 0.911 0.464 0.806 0.444 CB 1.388 37 residues pruned to eliminate duplicates Z: 7 4.547 1.744 0.553 0.394 0.833 0.667 CB 0.920 Z: 68 64.027 2.502 0.928 0.546 0.910 0.657 CB 1.702 68 residues pruned to eliminate duplicates Z: 11 25.433 2.218 1.187 0.803 0.900 0.700 CB 1.414 11 residues pruned to eliminate duplicates Z: 21 77.905 2.753 1.145 0.936 1.000 0.500 CA 2.054 21 residues pruned to eliminate duplicates Z: 109 83.556 2.463 0.984 0.501 0.954 0.648 CB 1.723 109 residues pruned to eliminate duplicates Z: 81 79.757 2.462 1.041 0.563 0.938 0.713 CB 1.781 81 residues pruned to eliminate duplicates Z: 13 12.516 2.195 0.719 0.395 0.750 0.583 CB 1.427 13 residues pruned to eliminate duplicates Z: 91 62.514 2.343 0.965 0.508 0.867 0.611 CB 1.639 65 residues pruned to eliminate duplicates Z: 79 83.895 2.556 1.059 0.581 0.923 0.654 CB 1.809 79 residues pruned to eliminate duplicates Z: 10 32.461 2.225 1.019 0.922 1.000 0.778 CB 1.693 10 residues pruned to eliminate duplicates Z: 25 22.583 2.389 0.800 0.326 0.875 0.542 CB 1.482 25 residues pruned to eliminate duplicates Z: 37 31.666 2.330 0.818 0.476 0.833 0.611 CB 1.531 37 residues pruned to eliminate duplicates Z: 43 49.899 2.349 1.154 0.450 0.929 0.595 CB 1.726 43 residues pruned to eliminate duplicates Z: 69 84.735 2.548 1.101 0.583 0.956 0.618 CB 1.853 69 residues pruned to eliminate duplicates Z: 17 9.747 2.159 0.492 0.252 0.688 0.312 CB 1.463 17 residues pruned to eliminate duplicates Z: 56 46.621 2.466 1.033 0.417 0.873 0.545 CB 1.566 56 residues pruned to eliminate duplicates Z: 57 48.120 2.494 1.072 0.421 0.875 0.571 CB 1.544 57 residues pruned to eliminate duplicates Z: 51 46.789 2.412 1.089 0.439 0.920 0.500 CB 1.520 51 residues pruned to eliminate duplicates Z: 49 54.976 2.408 1.210 0.430 0.938 0.688 CB 1.710 49 residues pruned to eliminate duplicates Z: 61 93.314 2.599 1.121 0.655 0.983 0.700 CB 1.923 61 residues pruned to eliminate duplicates Z: 33 25.400 2.228 0.724 0.435 0.875 0.625 CB 1.429 33 residues pruned to eliminate duplicates Z: 50 39.464 2.402 1.136 0.406 0.837 0.551 CB 1.449 50 residues pruned to eliminate duplicates Z: 10 13.147 1.809 0.659 0.760 0.889 0.667 CB 1.304 10 residues pruned to eliminate duplicates Z: 30 29.806 2.181 1.152 0.506 0.793 0.448 CB 1.478 30 residues pruned to eliminate duplicates Z: 13 25.850 2.008 0.810 0.778 1.000 0.667 CB 1.607 13 residues pruned to eliminate duplicates Z: 12 13.967 2.449 0.872 0.352 0.818 0.545 CB 1.318 12 residues pruned to eliminate duplicates Z: 23 21.110 2.312 1.028 0.358 0.818 0.500 CB 1.367 23 residues pruned to eliminate duplicates Z: 29 34.939 2.378 0.798 0.519 0.964 0.643 CB 1.572 29 residues pruned to eliminate duplicates Z: 26 13.762 2.158 0.714 0.322 0.640 0.440 CB 1.415 26 residues pruned to eliminate duplicates Z: 39 51.619 2.475 1.024 0.404 0.947 0.526 CB 1.950 39 residues pruned to eliminate duplicates Z: 10 13.081 1.810 0.473 0.752 1.000 0.556 CB 1.306 10 residues pruned to eliminate duplicates Z: 7 7.682 2.175 0.801 0.604 0.833 0.667 CB 0.870 7 residues pruned to eliminate duplicates Z: 9 11.519 1.846 0.505 0.779 0.875 0.625 CB 1.310 9 residues pruned to eliminate duplicates Z: 26 21.811 2.033 0.912 0.487 0.880 0.560 CB 1.292 26 residues pruned to eliminate duplicates Z: 148 92.641 2.501 0.954 0.513 0.905 0.599 CB 1.706 148 residues pruned to eliminate duplicates Z: 12 25.300 2.126 0.918 0.620 1.000 0.727 CB 1.671 12 residues pruned to eliminate duplicates Z: 49 49.141 2.489 0.987 0.375 0.896 0.521 CB 1.829 49 residues pruned to eliminate duplicates Z: 7 4.544 1.766 0.506 0.340 0.667 0.500 N 1.245 7 residues pruned to eliminate duplicates Z: 7 2.329 1.757 0.092 0.572 0.500 0.333 CB 0.924 7 residues pruned to eliminate duplicates Z: 11 5.279 1.766 0.531 0.406 0.800 0.400 CB 0.852 Z: 22 80.144 2.712 1.253 0.926 1.000 0.524 CA 2.007 22 residues pruned to eliminate duplicates Z: 13 20.960 1.910 0.713 0.816 1.000 0.917 CB 1.406 13 residues pruned to eliminate duplicates Z: 7 2.354 1.448 0.303 0.111 0.833 0.167 CB 1.000 Z: 16 7.174 2.093 0.588 0.272 0.733 0.333 CB 0.984 16 residues pruned to eliminate duplicates Z: 30 22.057 2.369 0.644 0.335 0.862 0.483 CB 1.463 30 residues pruned to eliminate duplicates Z: 8 12.275 1.936 0.481 0.793 0.857 0.571 CB 1.461 8 residues pruned to eliminate duplicates Z: 40 50.880 2.489 1.164 0.385 0.923 0.615 CB 1.851 40 residues pruned to eliminate duplicates Z: 9 13.292 1.909 0.576 0.775 0.875 0.500 CA 1.401 9 residues pruned to eliminate duplicates Z: 10 7.438 1.959 1.115 0.380 0.778 0.556 CB 0.874 10 residues pruned to eliminate duplicates Z: 22 54.945 2.611 0.894 0.920 0.952 0.524 CB 1.794 22 residues pruned to eliminate duplicates Z: 28 46.403 2.534 1.122 0.406 0.963 0.630 CB 1.903 28 residues pruned to eliminate duplicates Z: 33 48.946 2.465 1.030 0.448 0.938 0.594 CB 1.944 33 residues pruned to eliminate duplicates Z: 10 3.434 1.774 0.316 0.323 0.889 0.556 CB 0.670 Z: 66 81.566 2.554 0.987 0.615 0.954 0.692 CB 1.875 66 residues pruned to eliminate duplicates Z: 30 37.054 2.413 1.126 0.546 0.897 0.621 CB 1.430 30 residues pruned to eliminate duplicates Z: 69 61.473 2.467 0.868 0.524 0.912 0.603 CB 1.733 69 residues pruned to eliminate duplicates Z: 34 42.428 2.436 1.199 0.376 0.909 0.576 CB 1.732 34 residues pruned to eliminate duplicates Z: 101 81.778 2.443 1.007 0.532 0.920 0.640 CB 1.757 101 residues pruned to eliminate duplicates Z: 9 15.626 1.877 1.245 0.636 0.750 0.625 CA 1.540 9 residues pruned to eliminate duplicates Z: 6 13.981 2.261 0.446 0.702 1.000 0.600 CA 1.591 6 residues pruned to eliminate duplicates Z: 7 18.581 2.319 0.912 0.867 0.833 0.500 CA 1.502 7 residues pruned to eliminate duplicates Z: 6 14.180 1.931 0.915 0.778 1.000 0.800 CB 1.342 Z: 7 2.201 1.521 0.286 0.256 0.833 0.500 CB 0.729 Z: 8 29.564 2.315 1.181 0.756 1.000 0.714 C 1.762 8 residues pruned to eliminate duplicates Z: 44 49.075 2.454 1.090 0.400 0.907 0.651 CB 1.786 44 residues pruned to eliminate duplicates Z: 10 11.167 2.102 0.832 0.419 0.778 0.556 CB 1.353 10 residues pruned to eliminate duplicates Z: 98 49.270 2.281 0.885 0.413 0.856 0.567 CB 1.489 98 residues pruned to eliminate duplicates Z: 13 25.548 2.161 0.782 0.821 1.000 0.833 CA 1.450 13 residues pruned to eliminate duplicates Z: 8 14.220 2.032 1.025 0.724 0.857 0.714 CB 1.245 8 residues pruned to eliminate duplicates Z: 6 2.280 1.529 -0.158 0.385 0.800 0.800 C 1.118 Z: 20 29.015 2.265 1.095 0.456 1.000 0.684 CB 1.467 20 residues pruned to eliminate duplicates Z: 9 12.682 1.741 0.503 0.801 1.000 0.500 CA 1.317 9 residues pruned to eliminate duplicates Z: 26 25.179 2.358 0.728 0.433 0.880 0.680 CB 1.505 26 residues pruned to eliminate duplicates Z: 23 29.972 2.178 0.999 0.444 0.909 0.636 CA 1.709 23 residues pruned to eliminate duplicates Z: 6 7.247 1.917 0.243 0.753 1.000 0.800 CB 1.086 6 residues pruned to eliminate duplicates Z: 23 41.054 2.325 1.128 0.569 0.955 0.682 CB 1.734 23 residues pruned to eliminate duplicates Z: 36 48.551 2.463 1.200 0.431 0.914 0.686 CB 1.780 36 residues pruned to eliminate duplicates Z: 58 65.438 2.436 0.916 0.571 0.965 0.702 CB 1.798 58 residues pruned to eliminate duplicates Z: 9 23.590 2.620 1.204 0.545 1.000 0.750 CB 1.382 9 residues pruned to eliminate duplicates Z: 18 8.582 1.940 0.273 0.309 0.882 0.529 CB 1.181 Z: 37 41.187 2.440 1.130 0.498 0.861 0.611 CB 1.536 37 residues pruned to eliminate duplicates Z: 10 9.608 1.726 0.634 0.651 0.778 0.444 CB 1.269 10 residues pruned to eliminate duplicates Z: 11 21.050 1.896 1.009 0.779 1.000 0.600 CA 1.366 11 residues pruned to eliminate duplicates Z: 10 21.330 2.252 0.552 0.902 1.000 1.000 CA 1.450 10 residues pruned to eliminate duplicates Z: 6 7.372 1.764 0.270 0.722 1.000 0.600 CA 1.204 Z: 55 35.461 2.289 0.975 0.412 0.852 0.537 CB 1.374 55 residues pruned to eliminate duplicates Z: 12 23.089 2.530 0.653 0.402 1.000 0.636 CA 1.845 12 residues pruned to eliminate duplicates Z: 45 33.216 2.206 0.900 0.474 0.864 0.386 CB 1.420 45 residues pruned to eliminate duplicates Z: 11 43.679 2.427 1.291 0.867 1.000 0.800 CB 1.817 11 residues pruned to eliminate duplicates Z: 63 47.668 2.308 0.896 0.405 0.935 0.565 CB 1.634 63 residues pruned to eliminate duplicates Z: 38 45.142 2.417 0.902 0.502 0.919 0.730 CB 1.753 38 residues pruned to eliminate duplicates Z: 6 2.701 1.402 0.393 0.372 0.800 0.600 CA 0.886 Z: 15 21.770 2.205 0.911 0.418 0.929 0.571 CB 1.620 15 residues pruned to eliminate duplicates Z: 10 32.718 2.367 1.002 0.848 1.000 0.667 CA 1.707 10 residues pruned to eliminate duplicates Z: 84 65.812 2.397 0.988 0.494 0.916 0.602 CB 1.667 84 residues pruned to eliminate duplicates Z: 30 38.326 2.497 1.113 0.372 0.897 0.517 CB 1.725 30 residues pruned to eliminate duplicates Z: 22 64.659 2.673 0.996 0.914 1.000 0.667 CB 1.871 22 residues pruned to eliminate duplicates Z: 9 4.158 1.704 0.734 0.395 0.500 0.375 CB 1.112 9 residues pruned to eliminate duplicates Z: 6 10.712 2.160 0.290 0.677 1.000 0.600 CA 1.460 6 residues pruned to eliminate duplicates Z: 70 86.031 2.574 1.173 0.574 0.957 0.623 CB 1.802 70 residues pruned to eliminate duplicates Z: 37 24.604 2.216 0.764 0.317 0.917 0.417 CB 1.400 37 residues pruned to eliminate duplicates Z: 107 85.123 2.459 1.015 0.480 0.962 0.670 CB 1.770 107 residues pruned to eliminate duplicates Z: 8 4.722 1.885 0.527 0.352 0.571 0.429 N 1.274 8 residues pruned to eliminate duplicates Z: 16 29.959 2.447 1.068 0.412 0.867 0.600 CA 1.933 16 residues pruned to eliminate duplicates Z: 24 32.272 2.454 0.969 0.391 0.913 0.478 CB 1.711 24 residues pruned to eliminate duplicates Z: 43 42.155 2.410 0.816 0.388 0.905 0.595 CB 1.850 43 residues pruned to eliminate duplicates Z: 50 40.406 2.325 0.990 0.387 0.878 0.633 CB 1.602 50 residues pruned to eliminate duplicates Z: 38 36.277 2.475 0.925 0.360 0.892 0.622 CB 1.632 38 residues pruned to eliminate duplicates Z: 39 27.154 2.248 1.148 0.317 0.816 0.553 CB 1.369 57 residues pruned to eliminate duplicates Z: 18 19.570 2.169 0.784 0.454 0.882 0.824 CB 1.457 18 residues pruned to eliminate duplicates Z: 27 19.205 2.166 0.585 0.326 0.846 0.462 CB 1.570 27 residues pruned to eliminate duplicates Z: 35 42.829 2.446 1.161 0.478 0.912 0.529 CB 1.558 35 residues pruned to eliminate duplicates Z: 11 4.762 1.999 0.196 0.231 0.800 0.400 CB 1.078 Z: 6 7.901 1.940 0.339 0.791 1.000 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 68 86.063 2.522 1.061 0.615 0.955 0.716 CB 1.899 68 residues pruned to eliminate duplicates Z: 16 20.635 2.082 0.996 0.356 1.000 0.600 CB 1.497 16 residues pruned to eliminate duplicates Z: 54 39.790 2.371 0.882 0.405 0.849 0.604 CB 1.593 54 residues pruned to eliminate duplicates Z: 6 3.594 1.779 0.297 0.451 0.800 0.600 CB 0.916 Z: 33 30.287 2.366 0.907 0.529 0.781 0.438 CB 1.475 33 residues pruned to eliminate duplicates Z: 71 63.065 2.469 0.998 0.519 0.929 0.600 CB 1.615 71 residues pruned to eliminate duplicates Z: 15 15.616 2.077 0.825 0.344 0.857 0.571 CB 1.523 15 residues pruned to eliminate duplicates Z: 6 2.886 1.490 0.233 0.458 1.000 0.800 CB 0.733 Z: 15 42.158 2.446 0.934 0.888 1.000 0.786 CA 1.716 15 residues pruned to eliminate duplicates Z: 76 70.903 2.496 1.037 0.462 0.933 0.653 CB 1.793 76 residues pruned to eliminate duplicates Z: 131 107.428 2.567 1.112 0.532 0.923 0.662 CB 1.825 131 residues pruned to eliminate duplicates Z: 8 4.735 1.338 0.536 0.632 0.857 0.714 CA 0.898 Z: 39 49.827 2.492 1.188 0.410 0.895 0.658 CB 1.820 39 residues pruned to eliminate duplicates Z: 24 70.874 2.560 1.204 0.926 1.000 0.609 CB 1.837 24 residues pruned to eliminate duplicates Z: 86 65.260 2.404 0.972 0.469 0.941 0.647 CB 1.637 86 residues pruned to eliminate duplicates Z: 10 19.363 2.245 0.956 0.818 0.889 0.556 CB 1.254 10 residues pruned to eliminate duplicates Z: 14 18.000 2.210 0.873 0.526 0.846 0.692 CB 1.389 21 residues pruned to eliminate duplicates Z: 13 15.202 1.977 0.854 0.426 0.833 0.583 CB 1.551 13 residues pruned to eliminate duplicates Z: 13 16.489 2.322 0.754 0.436 0.833 0.583 CB 1.499 13 residues pruned to eliminate duplicates Z: 36 61.756 2.576 1.184 0.639 0.943 0.657 CB 1.728 36 residues pruned to eliminate duplicates Z: 12 5.436 1.909 0.423 0.259 0.727 0.545 CB 1.093 22 residues pruned to eliminate duplicates Z: 25 47.531 2.488 1.400 0.556 0.875 0.708 CB 1.759 25 residues pruned to eliminate duplicates Z: 15 49.458 2.575 1.236 0.866 1.000 0.786 CB 1.681 15 residues pruned to eliminate duplicates Z: 33 39.591 2.437 1.067 0.537 0.875 0.625 CB 1.532 33 residues pruned to eliminate duplicates Z: 10 14.864 2.272 1.205 0.433 0.778 0.556 CB 1.364 10 residues pruned to eliminate duplicates Z: 6 2.479 1.523 0.533 0.285 0.600 0.600 CA 1.008 Z: 39 35.926 2.372 0.986 0.448 0.895 0.447 CB 1.459 39 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 48 54.488 2.443 1.177 0.404 0.936 0.660 CB 1.766 48 residues pruned to eliminate duplicates Z: 36 44.644 2.474 1.194 0.372 0.914 0.571 CB 1.745 36 residues pruned to eliminate duplicates Z: 108 86.478 2.510 0.982 0.517 0.944 0.673 CB 1.750 108 residues pruned to eliminate duplicates Z: 109 88.152 2.503 1.035 0.513 0.926 0.731 CB 1.776 109 residues pruned to eliminate duplicates Z: 50 51.469 2.403 1.162 0.383 0.918 0.612 CB 1.745 50 residues pruned to eliminate duplicates Z: 49 56.617 2.449 1.171 0.410 0.938 0.625 CB 1.803 49 residues pruned to eliminate duplicates Z: 112 89.050 2.457 1.027 0.503 0.955 0.658 CB 1.773 112 residues pruned to eliminate duplicates Z: 109 91.471 2.519 1.108 0.504 0.935 0.657 CB 1.765 109 residues pruned to eliminate duplicates Z: 109 88.055 2.483 1.009 0.514 0.944 0.685 CB 1.774 109 residues pruned to eliminate duplicates Z: 50 49.950 2.431 1.090 0.384 0.939 0.653 CB 1.693 50 residues pruned to eliminate duplicates Z: 109 82.011 2.489 1.019 0.493 0.898 0.648 CB 1.761 109 residues pruned to eliminate duplicates Z: 108 89.035 2.507 1.029 0.514 0.935 0.692 CB 1.785 108 residues pruned to eliminate duplicates Z: 109 86.162 2.482 1.016 0.524 0.926 0.657 CB 1.748 109 residues pruned to eliminate duplicates Z: 48 51.681 2.441 1.154 0.410 0.915 0.617 CB 1.722 48 residues pruned to eliminate duplicates Z: 50 46.152 2.417 0.972 0.383 0.918 0.571 CB 1.706 50 residues pruned to eliminate duplicates Z: 107 93.418 2.517 1.100 0.531 0.925 0.651 CB 1.802 107 residues pruned to eliminate duplicates Z: 28 39.548 2.553 1.117 0.377 0.926 0.556 CB 1.734 28 residues pruned to eliminate duplicates Z: 49 48.785 2.400 1.041 0.388 0.917 0.604 CB 1.765 49 residues pruned to eliminate duplicates Z: 110 86.136 2.460 0.989 0.519 0.945 0.697 CB 1.751 110 residues pruned to eliminate duplicates Z: 29 36.170 2.445 0.932 0.380 0.929 0.571 CB 1.770 29 residues pruned to eliminate duplicates Z: 108 88.806 2.497 1.041 0.525 0.935 0.598 CB 1.760 108 residues pruned to eliminate duplicates Z: 49 50.484 2.423 1.104 0.396 0.896 0.604 CB 1.780 49 residues pruned to eliminate duplicates Z: 108 91.635 2.522 1.032 0.525 0.935 0.692 CB 1.804 108 residues pruned to eliminate duplicates Z: 29 37.988 2.478 1.162 0.375 0.893 0.571 CB 1.715 29 residues pruned to eliminate duplicates Z: 108 89.503 2.512 1.018 0.528 0.935 0.701 CB 1.777 108 residues pruned to eliminate duplicates Z: 49 52.682 2.434 1.177 0.393 0.917 0.688 CB 1.753 49 residues pruned to eliminate duplicates Z: 51 45.511 2.374 1.114 0.390 0.860 0.600 CB 1.675 51 residues pruned to eliminate duplicates Z: 36 50.943 2.489 1.270 0.421 0.914 0.686 CB 1.809 36 residues pruned to eliminate duplicates Z: 107 92.308 2.523 1.061 0.526 0.953 0.708 CB 1.764 107 residues pruned to eliminate duplicates Z: 50 50.681 2.410 1.188 0.393 0.898 0.653 CB 1.712 50 residues pruned to eliminate duplicates Z: 47 50.180 2.461 1.052 0.412 0.913 0.630 CB 1.759 47 residues pruned to eliminate duplicates Z: 108 89.213 2.510 1.032 0.523 0.925 0.682 CB 1.787 108 residues pruned to eliminate duplicates Z: 51 49.294 2.375 1.146 0.394 0.920 0.600 CB 1.663 51 residues pruned to eliminate duplicates Z: 108 87.241 2.501 1.047 0.529 0.897 0.692 CB 1.785 108 residues pruned to eliminate duplicates Z: 90 82.597 2.472 1.055 0.541 0.944 0.629 CB 1.755 90 residues pruned to eliminate duplicates Z: 6 6.448 1.748 0.630 0.428 1.000 0.600 CA 1.091 6 residues pruned to eliminate duplicates Z: 96 81.877 2.474 1.000 0.525 0.947 0.621 CB 1.749 96 residues pruned to eliminate duplicates Z: 71 74.622 2.497 0.948 0.575 0.943 0.757 CB 1.809 71 residues pruned to eliminate duplicates Z: 109 86.161 2.477 1.071 0.516 0.917 0.657 CB 1.735 109 residues pruned to eliminate duplicates Z: 69 79.000 2.555 0.999 0.591 0.956 0.676 CB 1.799 69 residues pruned to eliminate duplicates Z: 107 90.990 2.520 1.079 0.525 0.925 0.698 CB 1.780 107 residues pruned to eliminate duplicates Z: 106 82.207 2.498 1.052 0.467 0.914 0.629 CB 1.771 106 residues pruned to eliminate duplicates Z: 70 74.925 2.533 0.967 0.576 0.942 0.667 CB 1.787 70 residues pruned to eliminate duplicates Z: 108 86.596 2.515 1.039 0.516 0.925 0.682 CB 1.737 108 residues pruned to eliminate duplicates Z: 108 87.060 2.496 1.029 0.504 0.925 0.673 CB 1.789 108 residues pruned to eliminate duplicates Z: 74 75.477 2.510 0.974 0.577 0.945 0.630 CB 1.751 74 residues pruned to eliminate duplicates Z: 107 90.033 2.498 1.056 0.528 0.934 0.651 CB 1.773 107 residues pruned to eliminate duplicates Z: 108 84.079 2.493 1.050 0.494 0.925 0.664 CB 1.729 108 residues pruned to eliminate duplicates Z: 62 79.730 2.534 1.080 0.620 0.918 0.754 CB 1.883 62 residues pruned to eliminate duplicates Z: 68 68.273 2.494 1.042 0.520 0.910 0.642 CB 1.763 68 residues pruned to eliminate duplicates Z: 83 77.624 2.490 1.089 0.542 0.927 0.695 CB 1.707 83 residues pruned to eliminate duplicates Z: 108 89.339 2.516 1.013 0.517 0.953 0.664 CB 1.760 108 residues pruned to eliminate duplicates Z: 110 85.091 2.475 0.976 0.501 0.945 0.587 CB 1.761 110 residues pruned to eliminate duplicates Z: 105 96.181 2.529 1.152 0.532 0.962 0.692 CB 1.747 105 residues pruned to eliminate duplicates Z: 80 83.082 2.514 0.995 0.573 0.987 0.684 CB 1.759 80 residues pruned to eliminate duplicates Z: 109 88.952 2.497 1.030 0.514 0.935 0.620 CB 1.779 109 residues pruned to eliminate duplicates Z: 6 7.563 1.917 0.470 0.392 1.000 0.400 CA 1.345 Z: 6 10.079 1.816 1.033 0.422 1.000 0.800 C 1.324 12 residues pruned to eliminate duplicates Z: 108 86.272 2.497 1.061 0.502 0.925 0.636 CB 1.749 108 residues pruned to eliminate duplicates Z: 108 88.755 2.512 1.034 0.530 0.935 0.654 CB 1.745 108 residues pruned to eliminate duplicates Z: 60 82.465 2.574 1.060 0.629 0.966 0.780 CB 1.857 60 residues pruned to eliminate duplicates Z: 110 83.965 2.472 1.042 0.478 0.936 0.606 CB 1.742 110 residues pruned to eliminate duplicates Z: 70 78.787 2.558 1.051 0.584 0.942 0.739 CB 1.770 70 residues pruned to eliminate duplicates Z: 107 92.209 2.523 1.083 0.518 0.934 0.642 CB 1.793 109 residues pruned to eliminate duplicates Z: 22 63.230 2.659 0.851 0.917 1.000 0.857 CA 1.978 22 residues pruned to eliminate duplicates Z: 82 77.114 2.484 0.973 0.542 0.951 0.704 CB 1.765 82 residues pruned to eliminate duplicates Z: 58 75.125 2.576 1.029 0.614 0.965 0.684 CB 1.771 58 residues pruned to eliminate duplicates Z: 69 77.208 2.554 0.974 0.580 0.956 0.691 CB 1.799 69 residues pruned to eliminate duplicates Z: 107 93.712 2.520 1.079 0.525 0.943 0.632 CB 1.798 107 residues pruned to eliminate duplicates Z: 60 81.278 2.544 1.144 0.624 0.966 0.661 CB 1.787 60 residues pruned to eliminate duplicates Z: 17 45.688 2.546 0.910 0.891 0.938 0.688 CB 1.800 17 residues pruned to eliminate duplicates Z: 109 88.116 2.477 1.092 0.513 0.935 0.630 CB 1.728 109 residues pruned to eliminate duplicates Z: 64 77.723 2.526 1.102 0.580 0.952 0.667 CB 1.794 64 residues pruned to eliminate duplicates Z: 83 81.260 2.478 1.035 0.544 0.951 0.646 CB 1.792 83 residues pruned to eliminate duplicates Z: 69 82.765 2.570 1.107 0.591 0.941 0.721 CB 1.806 69 residues pruned to eliminate duplicates Z: 58 73.278 2.583 1.000 0.623 0.930 0.667 CB 1.800 58 residues pruned to eliminate duplicates Z: 107 99.150 2.517 1.133 0.543 0.962 0.679 CB 1.786 107 residues pruned to eliminate duplicates Z: 108 93.962 2.512 1.104 0.518 0.953 0.645 CB 1.771 108 residues pruned to eliminate duplicates Z: 22 76.309 2.715 1.163 0.923 1.000 0.810 CA 1.993 22 residues pruned to eliminate duplicates Z: 92 81.003 2.516 1.048 0.518 0.934 0.626 CB 1.733 92 residues pruned to eliminate duplicates Z: 84 82.353 2.454 1.148 0.549 0.964 0.711 CB 1.696 84 residues pruned to eliminate duplicates Z: 108 91.236 2.520 1.087 0.511 0.944 0.692 CB 1.758 108 residues pruned to eliminate duplicates Z: 71 82.479 2.544 1.085 0.570 0.957 0.743 CB 1.816 71 residues pruned to eliminate duplicates Z: 71 78.527 2.520 1.066 0.579 0.971 0.686 CB 1.720 71 residues pruned to eliminate duplicates Z: 109 83.833 2.498 1.054 0.504 0.907 0.657 CB 1.726 109 residues pruned to eliminate duplicates Z: 109 87.320 2.503 1.084 0.512 0.926 0.657 CB 1.720 109 residues pruned to eliminate duplicates Z: 108 86.269 2.509 1.034 0.504 0.935 0.692 CB 1.742 108 residues pruned to eliminate duplicates Z: 11 4.837 1.907 0.561 0.227 0.600 0.600 CB 1.179 6 residues pruned to eliminate duplicates Z: 6 4.908 1.986 0.940 0.376 0.600 0.400 CB 1.083 6 residues pruned to eliminate duplicates Z: 64 70.371 2.513 0.953 0.594 0.952 0.714 CB 1.733 64 residues pruned to eliminate duplicates Z: 125 95.086 2.521 1.037 0.549 0.919 0.645 CB 1.724 131 residues pruned to eliminate duplicates Z: 6 8.488 2.027 0.663 0.397 1.000 1.000 CB 1.256 6 residues pruned to eliminate duplicates Z: 109 92.963 2.553 1.024 0.547 0.926 0.620 CB 1.787 109 residues pruned to eliminate duplicates Z: 96 94.107 2.595 1.025 0.582 0.947 0.653 CB 1.792 96 residues pruned to eliminate duplicates Z: 29 49.224 2.702 1.053 0.542 0.929 0.643 CB 1.734 29 residues pruned to eliminate duplicates Z: 30 48.485 2.673 1.106 0.547 0.897 0.552 CB 1.704 30 residues pruned to eliminate duplicates Z: 28 44.120 2.662 0.975 0.527 0.889 0.593 CB 1.770 28 residues pruned to eliminate duplicates Z: 29 44.191 2.693 0.950 0.549 0.893 0.643 CB 1.697 29 residues pruned to eliminate duplicates Z: 64 52.337 2.494 0.872 0.487 0.857 0.619 CB 1.670 64 residues pruned to eliminate duplicates Z: 78 68.327 2.609 1.049 0.463 0.870 0.571 CB 1.737 78 residues pruned to eliminate duplicates Z: 75 76.335 2.641 1.175 0.482 0.892 0.595 CB 1.765 75 residues pruned to eliminate duplicates Z: 48 70.768 2.677 1.214 0.558 0.915 0.638 CB 1.800 48 residues pruned to eliminate duplicates Z: 133 90.757 2.507 1.024 0.502 0.909 0.629 CB 1.709 133 residues pruned to eliminate duplicates Z: 43 59.703 2.635 1.060 0.576 0.881 0.690 CB 1.791 43 residues pruned to eliminate duplicates Z: 26 53.829 2.775 1.200 0.596 0.880 0.640 CB 1.828 26 residues pruned to eliminate duplicates Z: 25 55.584 2.778 1.265 0.591 0.917 0.708 CB 1.802 25 residues pruned to eliminate duplicates Z: 25 55.909 2.781 1.262 0.601 0.917 0.625 CB 1.798 25 residues pruned to eliminate duplicates Z: 32 46.246 2.613 1.025 0.535 0.839 0.645 CB 1.809 32 residues pruned to eliminate duplicates Z: 79 63.162 2.544 0.982 0.452 0.897 0.577 CB 1.661 79 residues pruned to eliminate duplicates Z: 104 73.285 2.523 1.095 0.464 0.864 0.505 CB 1.640 104 residues pruned to eliminate duplicates Z: 25 59.460 2.771 1.236 0.616 0.958 0.667 CB 1.832 25 residues pruned to eliminate duplicates Z: 79 51.465 2.497 1.014 0.358 0.833 0.538 CB 1.620 79 residues pruned to eliminate duplicates Z: 48 72.126 2.693 1.213 0.554 0.915 0.745 CB 1.830 48 residues pruned to eliminate duplicates Z: 64 61.215 2.612 1.051 0.476 0.841 0.667 CB 1.753 64 residues pruned to eliminate duplicates Z: 56 58.377 2.537 1.098 0.490 0.873 0.582 CB 1.711 56 residues pruned to eliminate duplicates Z: 48 65.403 2.648 1.215 0.565 0.872 0.681 CB 1.751 48 residues pruned to eliminate duplicates Z: 65 44.783 2.417 0.806 0.397 0.859 0.578 CB 1.663 65 residues pruned to eliminate duplicates Z: 49 56.945 2.568 1.054 0.510 0.896 0.521 CB 1.721 49 residues pruned to eliminate duplicates Z: 67 57.578 2.559 1.034 0.458 0.833 0.636 CB 1.706 67 residues pruned to eliminate duplicates Z: 44 60.082 2.595 1.032 0.529 0.930 0.651 CB 1.815 44 residues pruned to eliminate duplicates Z: 26 37.144 2.567 0.808 0.448 0.880 0.640 CB 1.918 26 residues pruned to eliminate duplicates Z: 22 26.241 2.516 0.739 0.348 0.857 0.381 CB 1.801 22 residues pruned to eliminate duplicates Z: 63 58.738 2.526 0.948 0.458 0.887 0.581 CB 1.785 63 residues pruned to eliminate duplicates Z: 32 41.507 2.588 1.006 0.373 0.903 0.613 CB 1.821 32 residues pruned to eliminate duplicates Z: 123 107.119 2.544 1.123 0.563 0.934 0.705 CB 1.807 123 residues pruned to eliminate duplicates Z: 46 52.443 2.565 0.983 0.526 0.844 0.711 CB 1.775 46 residues pruned to eliminate duplicates Z: 43 58.448 2.622 0.965 0.553 0.929 0.714 CB 1.790 43 residues pruned to eliminate duplicates Z: 78 70.438 2.564 1.079 0.475 0.909 0.623 CB 1.699 78 residues pruned to eliminate duplicates Z: 66 62.341 2.573 0.969 0.475 0.892 0.569 CB 1.754 66 residues pruned to eliminate duplicates Z: 54 61.183 2.572 1.027 0.501 0.906 0.717 CB 1.779 54 residues pruned to eliminate duplicates Z: 50 61.403 2.582 1.039 0.552 0.898 0.735 CB 1.763 50 residues pruned to eliminate duplicates Z: 20 32.613 2.489 1.028 0.404 0.895 0.526 CB 1.833 20 residues pruned to eliminate duplicates Z: 47 39.110 2.494 0.884 0.344 0.870 0.565 CB 1.672 47 residues pruned to eliminate duplicates Z: 112 75.970 2.527 1.004 0.452 0.910 0.550 CB 1.644 112 residues pruned to eliminate duplicates Z: 22 28.233 2.500 0.915 0.402 0.810 0.619 CB 1.763 22 residues pruned to eliminate duplicates Z: 81 56.412 2.483 1.011 0.398 0.875 0.512 CB 1.607 81 residues pruned to eliminate duplicates Z: 33 37.292 2.471 0.853 0.378 0.906 0.594 CB 1.811 33 residues pruned to eliminate duplicates Z: 113 76.294 2.568 1.038 0.450 0.866 0.509 CB 1.674 113 residues pruned to eliminate duplicates Z: 40 40.150 2.460 1.009 0.376 0.872 0.462 CB 1.704 40 residues pruned to eliminate duplicates Z: 53 40.817 2.415 0.924 0.395 0.904 0.519 CB 1.506 53 residues pruned to eliminate duplicates Z: 28 31.575 2.506 0.954 0.362 0.889 0.593 CB 1.620 28 residues pruned to eliminate duplicates Z: 76 67.877 2.605 1.062 0.460 0.893 0.587 CB 1.702 76 residues pruned to eliminate duplicates Z: 63 47.056 2.459 1.066 0.406 0.855 0.516 CB 1.519 63 residues pruned to eliminate duplicates Z: 48 42.569 2.350 0.962 0.403 0.894 0.489 CB 1.668 48 residues pruned to eliminate duplicates Z: 30 30.473 2.394 1.147 0.315 0.897 0.379 CB 1.507 30 residues pruned to eliminate duplicates Z: 51 54.037 2.455 1.219 0.416 0.940 0.580 CB 1.629 51 residues pruned to eliminate duplicates Z: 30 27.822 2.347 1.027 0.336 0.828 0.586 CB 1.570 30 residues pruned to eliminate duplicates Z: 48 41.263 2.453 0.871 0.375 0.915 0.553 CB 1.638 48 residues pruned to eliminate duplicates Z: 77 70.666 2.588 1.050 0.477 0.908 0.671 CB 1.722 77 residues pruned to eliminate duplicates Z: 28 29.883 2.417 1.034 0.329 0.815 0.444 CB 1.731 28 residues pruned to eliminate duplicates Z: 83 58.498 2.521 1.045 0.436 0.829 0.524 CB 1.614 83 residues pruned to eliminate duplicates Z: 28 35.832 2.507 1.117 0.364 0.926 0.519 CB 1.624 28 residues pruned to eliminate duplicates Z: 29 26.730 2.332 0.908 0.340 0.821 0.393 CB 1.645 29 residues pruned to eliminate duplicates Z: 62 46.660 2.476 1.049 0.379 0.852 0.492 CB 1.572 62 residues pruned to eliminate duplicates Z: 18 15.860 2.335 1.090 0.325 0.706 0.412 CB 1.354 18 residues pruned to eliminate duplicates Z: 19 20.402 2.316 1.064 0.356 0.833 0.444 CB 1.411 19 residues pruned to eliminate duplicates Z: 17 22.502 2.513 1.216 0.333 0.750 0.438 CB 1.616 17 residues pruned to eliminate duplicates Z: 52 47.685 2.462 1.234 0.421 0.882 0.471 CB 1.494 52 residues pruned to eliminate duplicates Z: 75 65.394 2.581 0.959 0.465 0.919 0.608 CB 1.695 75 residues pruned to eliminate duplicates Z: 58 41.885 2.367 1.046 0.383 0.877 0.491 CB 1.478 58 residues pruned to eliminate duplicates Z: 28 25.873 2.485 0.807 0.351 0.815 0.519 CB 1.600 28 residues pruned to eliminate duplicates Z: 62 47.723 2.482 1.127 0.422 0.820 0.492 CB 1.532 62 residues pruned to eliminate duplicates Z: 49 47.269 2.475 1.193 0.422 0.896 0.479 CB 1.523 49 residues pruned to eliminate duplicates Z: 29 27.910 2.443 0.932 0.291 0.857 0.500 CB 1.648 29 residues pruned to eliminate duplicates Z: 62 47.198 2.459 1.101 0.402 0.869 0.492 CB 1.492 62 residues pruned to eliminate duplicates Z: 61 51.531 2.475 1.094 0.417 0.883 0.483 CB 1.585 61 residues pruned to eliminate duplicates Z: 63 51.562 2.483 1.113 0.411 0.903 0.548 CB 1.517 63 residues pruned to eliminate duplicates Z: 49 46.886 2.497 1.211 0.446 0.875 0.458 CB 1.481 49 residues pruned to eliminate duplicates Z: 63 48.401 2.448 1.130 0.389 0.855 0.548 CB 1.552 63 residues pruned to eliminate duplicates Z: 43 33.344 2.286 1.022 0.435 0.810 0.500 CB 1.470 43 residues pruned to eliminate duplicates Z: 64 51.253 2.461 1.080 0.425 0.889 0.460 CB 1.535 64 residues pruned to eliminate duplicates Z: 25 43.676 2.469 1.320 0.510 1.000 0.417 CB 1.541 25 residues pruned to eliminate duplicates Z: 34 44.225 2.509 1.233 0.491 0.879 0.394 CB 1.578 34 residues pruned to eliminate duplicates Z: 35 38.657 2.463 1.080 0.478 0.882 0.500 CB 1.499 35 residues pruned to eliminate duplicates Z: 35 38.776 2.472 1.192 0.475 0.853 0.500 CB 1.476 35 residues pruned to eliminate duplicates Z: 24 39.209 2.401 1.302 0.533 0.870 0.565 CB 1.646 24 residues pruned to eliminate duplicates Z: 36 45.524 2.442 1.159 0.513 0.943 0.514 CB 1.528 36 residues pruned to eliminate duplicates Z: 52 43.843 2.452 1.154 0.402 0.863 0.510 CB 1.493 52 residues pruned to eliminate duplicates Z: 41 45.986 2.445 1.205 0.477 0.875 0.575 CB 1.577 41 residues pruned to eliminate duplicates Z: 25 40.921 2.482 1.186 0.569 0.958 0.583 CB 1.503 25 residues pruned to eliminate duplicates Z: 35 41.277 2.433 1.237 0.499 0.882 0.500 CB 1.475 35 residues pruned to eliminate duplicates Z: 26 40.318 2.407 1.139 0.552 0.960 0.520 CB 1.550 26 residues pruned to eliminate duplicates Z: 62 47.241 2.457 1.110 0.401 0.869 0.459 CB 1.491 62 residues pruned to eliminate duplicates Z: 35 42.001 2.485 1.181 0.484 0.882 0.471 CB 1.530 35 residues pruned to eliminate duplicates Z: 27 34.259 2.324 1.212 0.499 0.846 0.577 CB 1.546 27 residues pruned to eliminate duplicates Z: 26 30.948 2.403 1.118 0.479 0.800 0.560 CB 1.552 26 residues pruned to eliminate duplicates Z: 63 55.450 2.488 1.156 0.425 0.903 0.468 CB 1.572 63 residues pruned to eliminate duplicates Z: 37 40.552 2.459 1.161 0.460 0.861 0.611 CB 1.539 37 residues pruned to eliminate duplicates Z: 24 40.292 2.526 1.241 0.514 0.870 0.565 CB 1.683 24 residues pruned to eliminate duplicates Z: 35 44.321 2.479 1.284 0.488 0.882 0.588 CB 1.541 35 residues pruned to eliminate duplicates Z: 41 38.311 2.331 1.041 0.461 0.875 0.450 CB 1.513 41 residues pruned to eliminate duplicates Z: 42 39.538 2.343 1.217 0.452 0.878 0.512 CB 1.422 42 residues pruned to eliminate duplicates Z: 37 38.057 2.406 1.038 0.487 0.889 0.583 CB 1.475 37 residues pruned to eliminate duplicates Z: 37 37.922 2.429 1.119 0.448 0.861 0.528 CB 1.504 37 residues pruned to eliminate duplicates Z: 36 36.787 2.416 1.102 0.462 0.857 0.629 CB 1.484 36 residues pruned to eliminate duplicates Z: 36 41.047 2.458 1.248 0.465 0.857 0.543 CB 1.519 36 residues pruned to eliminate duplicates Z: 35 48.760 2.467 1.276 0.525 0.941 0.529 CB 1.543 35 residues pruned to eliminate duplicates Z: 49 42.964 2.459 1.244 0.411 0.854 0.458 CB 1.444 49 residues pruned to eliminate duplicates Z: 110 80.118 2.509 1.039 0.517 0.908 0.615 CB 1.624 50 residues pruned to eliminate duplicates Z: 6 9.492 1.838 1.368 0.435 1.000 0.400 CB 1.043 6 residues pruned to eliminate duplicates Z: 40 50.581 2.491 1.120 0.413 0.897 0.590 CB 1.873 40 residues pruned to eliminate duplicates Z: 50 58.213 2.503 1.127 0.411 0.918 0.633 CB 1.866 50 residues pruned to eliminate duplicates Z: 40 52.259 2.483 1.219 0.402 0.897 0.590 CB 1.876 40 residues pruned to eliminate duplicates Z: 40 46.747 2.453 1.047 0.386 0.923 0.590 CB 1.822 40 residues pruned to eliminate duplicates Z: 48 57.805 2.546 1.083 0.387 0.936 0.532 CB 1.914 54 residues pruned to eliminate duplicates Z: 7 11.627 2.010 0.522 0.545 1.000 0.667 N 1.485 7 residues pruned to eliminate duplicates Z: 49 55.802 2.493 1.120 0.405 0.917 0.542 CB 1.836 49 residues pruned to eliminate duplicates Z: 24 33.037 2.439 1.157 0.329 0.870 0.522 CB 1.816 24 residues pruned to eliminate duplicates Z: 108 98.244 2.560 1.095 0.516 0.935 0.607 CB 1.866 108 residues pruned to eliminate duplicates Z: 99 99.706 2.569 1.124 0.538 0.929 0.663 CB 1.916 99 residues pruned to eliminate duplicates Z: 23 39.996 2.508 1.327 0.335 0.909 0.500 CB 1.925 23 residues pruned to eliminate duplicates Z: 39 54.435 2.530 1.249 0.416 0.895 0.605 CB 1.892 39 residues pruned to eliminate duplicates Z: 38 56.828 2.543 1.187 0.414 0.946 0.541 CB 1.942 38 residues pruned to eliminate duplicates Z: 39 48.921 2.479 1.108 0.404 0.895 0.526 CB 1.877 39 residues pruned to eliminate duplicates Z: 48 57.854 2.543 1.048 0.402 0.936 0.596 CB 1.919 48 residues pruned to eliminate duplicates Z: 84 81.141 2.523 1.060 0.486 0.940 0.614 CB 1.849 84 residues pruned to eliminate duplicates Z: 39 51.895 2.512 1.116 0.403 0.921 0.658 CB 1.904 39 residues pruned to eliminate duplicates Z: 49 58.852 2.543 1.178 0.397 0.917 0.583 CB 1.865 49 residues pruned to eliminate duplicates Z: 108 99.065 2.577 1.113 0.514 0.925 0.645 CB 1.876 108 residues pruned to eliminate duplicates Z: 108 104.936 2.575 1.175 0.529 0.944 0.570 CB 1.866 108 residues pruned to eliminate duplicates Z: 38 56.013 2.494 1.222 0.409 0.946 0.568 CB 1.933 38 residues pruned to eliminate duplicates Z: 39 48.821 2.513 1.048 0.410 0.895 0.605 CB 1.890 39 residues pruned to eliminate duplicates Z: 109 96.285 2.557 1.111 0.519 0.926 0.611 CB 1.819 109 residues pruned to eliminate duplicates Z: 50 57.298 2.497 1.199 0.402 0.898 0.592 CB 1.840 50 residues pruned to eliminate duplicates Z: 21 28.331 2.180 1.114 0.439 0.900 0.600 CB 1.627 21 residues pruned to eliminate duplicates Z: 87 82.121 2.505 1.055 0.538 0.907 0.628 CB 1.828 87 residues pruned to eliminate duplicates Z: 40 53.182 2.504 1.301 0.399 0.897 0.487 CB 1.832 40 residues pruned to eliminate duplicates Z: 91 88.555 2.538 1.146 0.500 0.900 0.622 CB 1.904 91 residues pruned to eliminate duplicates Z: 83 84.978 2.521 1.036 0.553 0.951 0.683 CB 1.826 83 residues pruned to eliminate duplicates Z: 48 62.767 2.544 1.121 0.426 0.957 0.574 CB 1.913 48 residues pruned to eliminate duplicates Z: 50 58.532 2.518 1.140 0.407 0.918 0.612 CB 1.863 50 residues pruned to eliminate duplicates Z: 49 54.313 2.513 1.145 0.397 0.896 0.604 CB 1.810 49 residues pruned to eliminate duplicates Z: 108 98.606 2.547 1.064 0.531 0.925 0.636 CB 1.901 108 residues pruned to eliminate duplicates Z: 108 101.841 2.573 1.162 0.513 0.953 0.636 CB 1.833 108 residues pruned to eliminate duplicates Z: 108 100.839 2.549 1.174 0.523 0.935 0.598 CB 1.839 108 residues pruned to eliminate duplicates Z: 23 30.466 2.322 1.078 0.416 0.864 0.545 CB 1.701 23 residues pruned to eliminate duplicates Z: 109 99.594 2.563 1.136 0.517 0.944 0.648 CB 1.821 109 residues pruned to eliminate duplicates Z: 82 84.445 2.530 1.058 0.559 0.926 0.691 CB 1.837 82 residues pruned to eliminate duplicates Z: 72 76.806 2.534 0.908 0.560 0.958 0.634 CB 1.857 72 residues pruned to eliminate duplicates Z: 74 78.334 2.519 1.103 0.527 0.932 0.644 CB 1.810 74 residues pruned to eliminate duplicates Z: 70 85.317 2.590 1.100 0.586 0.957 0.667 CB 1.818 70 residues pruned to eliminate duplicates Z: 108 93.517 2.551 1.048 0.504 0.916 0.673 CB 1.882 108 residues pruned to eliminate duplicates Z: 69 87.338 2.616 1.046 0.586 0.971 0.647 CB 1.877 69 residues pruned to eliminate duplicates Z: 66 92.052 2.590 1.143 0.616 0.969 0.723 CB 1.902 66 residues pruned to eliminate duplicates Z: 108 103.830 2.554 1.192 0.513 0.953 0.589 CB 1.857 108 residues pruned to eliminate duplicates Z: 83 83.041 2.515 1.003 0.554 0.963 0.622 CB 1.793 83 residues pruned to eliminate duplicates Z: 69 87.971 2.589 1.148 0.583 0.956 0.676 CB 1.852 69 residues pruned to eliminate duplicates Z: 71 83.851 2.558 1.095 0.567 0.957 0.657 CB 1.831 71 residues pruned to eliminate duplicates Z: 73 81.771 2.552 1.072 0.559 0.958 0.653 CB 1.796 73 residues pruned to eliminate duplicates Z: 70 91.995 2.592 1.197 0.587 0.957 0.696 CB 1.870 70 residues pruned to eliminate duplicates Z: 69 88.570 2.597 1.062 0.606 0.971 0.721 CB 1.868 69 residues pruned to eliminate duplicates Z: 109 97.823 2.561 1.081 0.528 0.935 0.667 CB 1.836 109 residues pruned to eliminate duplicates Z: 70 83.281 2.581 1.103 0.577 0.942 0.638 CB 1.821 70 residues pruned to eliminate duplicates Z: 62 98.317 2.619 1.222 0.630 0.984 0.738 CB 1.945 62 residues pruned to eliminate duplicates Z: 73 82.241 2.544 1.109 0.558 0.958 0.611 CB 1.782 73 residues pruned to eliminate duplicates Z: 69 84.831 2.590 1.017 0.585 0.985 0.618 CB 1.842 69 residues pruned to eliminate duplicates Z: 82 84.608 2.537 1.068 0.572 0.938 0.667 CB 1.782 82 residues pruned to eliminate duplicates Z: 82 84.173 2.453 1.027 0.568 0.963 0.691 CB 1.828 82 residues pruned to eliminate duplicates Z: 108 100.658 2.558 1.104 0.518 0.944 0.654 CB 1.883 108 residues pruned to eliminate duplicates Z: 66 95.834 2.624 1.188 0.606 0.985 0.662 CB 1.901 66 residues pruned to eliminate duplicates Z: 107 103.617 2.576 1.171 0.529 0.943 0.632 CB 1.854 107 residues pruned to eliminate duplicates Z: 70 87.946 2.580 1.119 0.587 0.942 0.652 CB 1.891 70 residues pruned to eliminate duplicates Z: 109 102.644 2.557 1.152 0.517 0.944 0.620 CB 1.869 109 residues pruned to eliminate duplicates Z: 70 87.727 2.580 1.091 0.595 0.971 0.710 CB 1.841 70 residues pruned to eliminate duplicates Z: 73 78.404 2.507 1.099 0.574 0.917 0.625 CB 1.783 73 residues pruned to eliminate duplicates Z: 70 88.709 2.570 1.195 0.569 0.942 0.696 CB 1.879 70 residues pruned to eliminate duplicates Z: 109 105.056 2.550 1.172 0.523 0.963 0.676 CB 1.854 109 residues pruned to eliminate duplicates Z: 70 81.089 2.568 1.031 0.576 0.942 0.681 CB 1.847 70 residues pruned to eliminate duplicates Z: 71 85.304 2.561 1.121 0.567 0.943 0.643 CB 1.866 71 residues pruned to eliminate duplicates Z: 73 86.251 2.553 1.136 0.563 0.944 0.708 CB 1.857 73 residues pruned to eliminate duplicates Z: 70 85.625 2.596 1.049 0.585 0.957 0.739 CB 1.868 70 residues pruned to eliminate duplicates Z: 69 91.889 2.597 1.159 0.600 0.956 0.706 CB 1.891 69 residues pruned to eliminate duplicates Z: 69 89.329 2.608 1.150 0.589 0.956 0.706 CB 1.857 69 residues pruned to eliminate duplicates Z: 69 84.434 2.606 1.058 0.584 0.956 0.691 CB 1.843 69 residues pruned to eliminate duplicates Z: 73 82.577 2.516 1.068 0.569 0.958 0.639 CB 1.826 73 residues pruned to eliminate duplicates Z: 71 86.638 2.557 1.147 0.581 0.943 0.771 CB 1.850 71 residues pruned to eliminate duplicates Z: 107 97.951 2.557 1.091 0.527 0.943 0.670 CB 1.837 107 residues pruned to eliminate duplicates Z: 67 76.748 2.571 1.154 0.575 0.909 0.667 CB 1.747 67 residues pruned to eliminate duplicates Z: 109 95.094 2.546 1.096 0.515 0.917 0.583 CB 1.842 109 residues pruned to eliminate duplicates Z: 70 87.538 2.582 1.148 0.581 0.942 0.710 CB 1.867 70 residues pruned to eliminate duplicates Z: 108 101.037 2.563 1.157 0.534 0.925 0.673 CB 1.847 108 residues pruned to eliminate duplicates Z: 71 87.467 2.562 1.148 0.578 0.929 0.529 CB 1.897 71 residues pruned to eliminate duplicates Z: 70 85.921 2.583 1.132 0.576 0.942 0.623 CB 1.854 70 residues pruned to eliminate duplicates Z: 70 88.560 2.596 1.139 0.592 0.957 0.681 CB 1.838 70 residues pruned to eliminate duplicates Z: 108 104.940 2.558 1.162 0.518 0.953 0.636 CB 1.890 108 residues pruned to eliminate duplicates Z: 109 97.044 2.560 1.078 0.521 0.935 0.648 CB 1.839 109 residues pruned to eliminate duplicates Z: 70 91.483 2.602 1.160 0.593 0.957 0.696 CB 1.874 70 residues pruned to eliminate duplicates Z: 85 79.706 2.445 1.073 0.545 0.952 0.619 CB 1.723 85 residues pruned to eliminate duplicates Z: 109 98.132 2.555 1.128 0.514 0.926 0.639 CB 1.850 109 residues pruned to eliminate duplicates Z: 70 91.535 2.588 1.141 0.591 0.986 0.623 CB 1.851 70 residues pruned to eliminate duplicates Z: 70 83.851 2.592 1.105 0.578 0.928 0.623 CB 1.851 70 residues pruned to eliminate duplicates Z: 108 83.634 2.502 1.089 0.472 0.907 0.589 CB 1.755 108 residues pruned to eliminate duplicates Z: 70 90.141 2.591 1.183 0.592 0.957 0.681 CB 1.837 70 residues pruned to eliminate duplicates Z: 69 86.590 2.570 1.086 0.592 0.941 0.647 CB 1.905 69 residues pruned to eliminate duplicates Z: 108 101.639 2.577 1.133 0.522 0.944 0.673 CB 1.854 108 residues pruned to eliminate duplicates Z: 72 82.668 2.531 1.128 0.559 0.958 0.704 CB 1.796 72 residues pruned to eliminate duplicates Z: 69 89.365 2.586 1.122 0.596 0.956 0.632 CB 1.885 69 residues pruned to eliminate duplicates Z: 70 81.107 2.542 1.062 0.566 0.942 0.638 CB 1.856 70 residues pruned to eliminate duplicates Z: 168 114.323 2.542 1.071 0.509 0.934 0.647 CB 1.782 168 residues pruned to eliminate duplicates Z: 143 94.819 2.494 1.019 0.517 0.901 0.641 CB 1.723 143 residues pruned to eliminate duplicates Z: 156 111.426 2.525 1.109 0.520 0.929 0.639 CB 1.774 156 residues pruned to eliminate duplicates Z: 77 51.258 2.394 0.965 0.447 0.855 0.526 CB 1.544 77 residues pruned to eliminate duplicates Z: 28 46.493 2.662 0.905 0.566 0.963 0.593 CB 1.719 28 residues pruned to eliminate duplicates Z: 68 46.786 2.432 0.733 0.451 0.866 0.567 CB 1.647 68 residues pruned to eliminate duplicates Z: 122 94.558 2.526 1.011 0.543 0.909 0.595 CB 1.785 122 residues pruned to eliminate duplicates Z: 80 49.418 2.405 1.001 0.421 0.810 0.557 CB 1.548 80 residues pruned to eliminate duplicates Z: 42 42.370 2.521 0.870 0.538 0.805 0.634 CB 1.680 42 residues pruned to eliminate duplicates Z: 74 49.545 2.394 0.862 0.441 0.863 0.575 CB 1.602 74 residues pruned to eliminate duplicates Z: 53 49.832 2.501 0.872 0.517 0.885 0.673 CB 1.640 53 residues pruned to eliminate duplicates Z: 80 54.880 2.419 0.901 0.450 0.873 0.633 CB 1.618 80 residues pruned to eliminate duplicates Z: 121 96.088 2.535 1.034 0.545 0.925 0.700 CB 1.760 121 residues pruned to eliminate duplicates Z: 51 48.351 2.452 0.907 0.533 0.880 0.660 CB 1.609 51 residues pruned to eliminate duplicates Z: 52 48.498 2.502 0.882 0.503 0.863 0.647 CB 1.666 52 residues pruned to eliminate duplicates Z: 48 56.924 2.530 1.104 0.559 0.915 0.617 CB 1.610 48 residues pruned to eliminate duplicates Z: 52 53.866 2.482 1.017 0.526 0.882 0.627 CB 1.664 52 residues pruned to eliminate duplicates Z: 72 53.705 2.472 0.897 0.466 0.817 0.563 CB 1.721 72 residues pruned to eliminate duplicates Z: 58 52.064 2.497 0.914 0.513 0.860 0.579 CB 1.658 58 residues pruned to eliminate duplicates Z: 56 43.468 2.445 0.822 0.490 0.836 0.545 CB 1.589 56 residues pruned to eliminate duplicates Z: 193 95.974 2.418 0.975 0.496 0.885 0.531 CB 1.644 193 residues pruned to eliminate duplicates Z: 99 63.150 2.403 0.995 0.480 0.878 0.520 CB 1.547 99 residues pruned to eliminate duplicates Z: 129 91.365 2.507 0.936 0.525 0.938 0.656 CB 1.731 129 residues pruned to eliminate duplicates Z: 50 49.160 2.503 0.936 0.504 0.857 0.592 CB 1.684 50 residues pruned to eliminate duplicates Z: 168 96.247 2.467 1.012 0.508 0.904 0.581 CB 1.646 168 residues pruned to eliminate duplicates Z: 62 54.176 2.437 0.970 0.496 0.902 0.623 CB 1.609 62 residues pruned to eliminate duplicates Z: 49 52.597 2.509 0.937 0.531 0.917 0.729 CB 1.653 49 residues pruned to eliminate duplicates Z: 58 35.948 2.316 0.901 0.404 0.842 0.509 CB 1.421 58 residues pruned to eliminate duplicates Z: 79 48.514 2.392 0.864 0.441 0.833 0.577 CB 1.571 79 residues pruned to eliminate duplicates Z: 64 46.210 2.393 0.909 0.484 0.873 0.540 CB 1.483 64 residues pruned to eliminate duplicates Z: 41 35.122 2.378 0.900 0.463 0.825 0.625 CB 1.548 41 residues pruned to eliminate duplicates Z: 119 99.228 2.542 1.095 0.553 0.924 0.593 CB 1.765 119 residues pruned to eliminate duplicates Z: 50 48.061 2.491 0.905 0.504 0.878 0.612 CB 1.642 50 residues pruned to eliminate duplicates Z: 113 94.372 2.556 1.066 0.550 0.920 0.652 CB 1.750 113 residues pruned to eliminate duplicates Z: 72 59.229 2.463 1.050 0.479 0.873 0.634 CB 1.628 72 residues pruned to eliminate duplicates Z: 52 52.583 2.490 0.974 0.500 0.902 0.647 CB 1.660 52 residues pruned to eliminate duplicates Z: 79 55.636 2.416 0.984 0.446 0.859 0.590 CB 1.616 79 residues pruned to eliminate duplicates Z: 64 50.666 2.421 0.978 0.470 0.841 0.571 CB 1.634 64 residues pruned to eliminate duplicates Z: 148 92.616 2.512 0.999 0.500 0.878 0.571 CB 1.733 148 residues pruned to eliminate duplicates Z: 36 30.417 2.347 0.926 0.432 0.800 0.571 CB 1.526 36 residues pruned to eliminate duplicates Z: 77 50.223 2.334 0.976 0.441 0.882 0.566 CB 1.506 77 residues pruned to eliminate duplicates Z: 45 33.881 2.329 0.996 0.369 0.841 0.477 CB 1.503 45 residues pruned to eliminate duplicates Z: 75 54.666 2.430 0.908 0.478 0.878 0.635 CB 1.596 75 residues pruned to eliminate duplicates Z: 63 51.306 2.472 0.945 0.487 0.839 0.645 CB 1.638 63 residues pruned to eliminate duplicates Z: 48 49.185 2.437 0.959 0.508 0.872 0.489 CB 1.709 48 residues pruned to eliminate duplicates Z: 49 52.405 2.520 0.932 0.562 0.875 0.667 CB 1.671 49 residues pruned to eliminate duplicates Z: 50 50.846 2.483 0.956 0.541 0.898 0.653 CB 1.600 50 residues pruned to eliminate duplicates Z: 11 12.400 2.128 0.838 0.407 0.800 0.500 CB 1.381 11 residues pruned to eliminate duplicates Z: 69 55.638 2.454 1.023 0.497 0.853 0.647 CB 1.599 69 residues pruned to eliminate duplicates Z: 20 22.057 2.198 0.909 0.429 0.895 0.632 CB 1.451 20 residues pruned to eliminate duplicates Z: 132 95.189 2.505 1.059 0.532 0.916 0.664 CB 1.706 132 residues pruned to eliminate duplicates Z: 67 48.130 2.418 0.932 0.470 0.833 0.576 CB 1.569 67 residues pruned to eliminate duplicates Z: 60 42.417 2.350 0.963 0.423 0.864 0.627 CB 1.501 60 residues pruned to eliminate duplicates Z: 12 18.438 2.313 0.834 0.379 0.909 0.455 CB 1.640 12 residues pruned to eliminate duplicates Z: 12 15.693 2.258 0.840 0.401 0.818 0.545 CB 1.544 12 residues pruned to eliminate duplicates Z: 28 23.899 2.292 0.929 0.344 0.852 0.444 CB 1.447 28 residues pruned to eliminate duplicates Z: 13 13.819 2.188 0.777 0.320 0.833 0.333 CB 1.502 13 residues pruned to eliminate duplicates Z: 30 20.029 2.229 0.849 0.276 0.793 0.345 CB 1.466 30 residues pruned to eliminate duplicates Z: 20 27.232 2.321 0.982 0.386 0.895 0.526 CB 1.713 20 residues pruned to eliminate duplicates Z: 15 11.351 2.110 0.758 0.266 0.857 0.500 CB 1.245 15 residues pruned to eliminate duplicates Z: 29 21.484 2.230 0.932 0.291 0.893 0.500 CB 1.333 29 residues pruned to eliminate duplicates Z: 28 25.462 2.286 0.965 0.329 0.852 0.407 CB 1.545 28 residues pruned to eliminate duplicates Z: 25 19.538 2.205 1.016 0.293 0.750 0.375 CA 1.509 25 residues pruned to eliminate duplicates Z: 12 16.814 2.252 1.041 0.365 0.818 0.545 CA 1.558 12 residues pruned to eliminate duplicates Z: 75 50.051 2.351 0.883 0.441 0.905 0.568 CB 1.542 75 residues pruned to eliminate duplicates Z: 120 62.756 2.353 1.028 0.475 0.857 0.555 CB 1.442 120 residues pruned to eliminate duplicates Z: 19 13.413 2.244 0.646 0.330 0.778 0.333 CB 1.325 19 residues pruned to eliminate duplicates Z: 64 42.657 2.275 1.085 0.417 0.857 0.492 CB 1.442 64 residues pruned to eliminate duplicates Z: 6 5.193 1.969 0.666 0.317 0.800 0.600 CA 1.083 5 residues pruned to eliminate duplicates Z: 7 5.025 1.923 0.375 0.413 0.833 0.333 CB 1.020 7 residues pruned to eliminate duplicates Z: 64 40.061 2.254 1.047 0.398 0.857 0.476 CB 1.422 64 residues pruned to eliminate duplicates Z: 7 8.475 1.730 1.239 0.398 0.833 0.500 N 1.194 6 residues pruned to eliminate duplicates Z: 7 5.034 2.123 0.405 0.346 0.833 0.500 CB 0.976 7 residues pruned to eliminate duplicates Z: 52 36.693 2.244 0.996 0.440 0.882 0.529 CB 1.382 52 residues pruned to eliminate duplicates Z: 51 38.152 2.296 1.065 0.424 0.880 0.500 CB 1.400 51 residues pruned to eliminate duplicates Z: 51 38.357 2.259 1.071 0.434 0.880 0.500 CB 1.410 51 residues pruned to eliminate duplicates Z: 16 23.762 1.986 1.043 0.689 0.933 0.600 CB 1.363 16 residues pruned to eliminate duplicates Z: 36 38.465 2.266 1.093 0.506 0.943 0.514 CB 1.446 36 residues pruned to eliminate duplicates Z: 12 27.224 2.130 0.954 0.828 1.000 0.727 CB 1.485 12 residues pruned to eliminate duplicates Z: 16 21.017 1.993 0.729 0.595 1.000 0.400 CB 1.438 16 residues pruned to eliminate duplicates Z: 51 34.155 2.237 1.042 0.417 0.840 0.500 CB 1.373 51 residues pruned to eliminate duplicates Z: 25 32.445 2.285 0.931 0.558 0.917 0.667 CB 1.548 25 residues pruned to eliminate duplicates Z: 37 33.955 2.219 1.035 0.480 0.917 0.583 CB 1.395 37 residues pruned to eliminate duplicates Z: 12 30.628 2.270 0.990 0.732 1.000 0.727 CB 1.659 12 residues pruned to eliminate duplicates Z: 25 29.626 2.275 0.964 0.500 0.875 0.542 CB 1.546 25 residues pruned to eliminate duplicates Z: 24 35.597 2.338 1.045 0.568 0.913 0.522 CB 1.592 24 residues pruned to eliminate duplicates Z: 26 29.141 2.226 0.964 0.519 0.880 0.560 CB 1.486 26 residues pruned to eliminate duplicates Z: 56 33.138 2.198 1.056 0.395 0.836 0.455 CB 1.321 56 residues pruned to eliminate duplicates Z: 68 36.707 2.216 0.900 0.383 0.851 0.493 CB 1.419 68 residues pruned to eliminate duplicates Z: 25 34.862 2.297 1.025 0.553 0.917 0.625 CB 1.586 25 residues pruned to eliminate duplicates Z: 6 6.830 1.920 0.925 0.310 0.800 0.000 CA 1.275 6 residues pruned to eliminate duplicates Z: 25 32.889 2.289 0.937 0.551 0.917 0.667 CB 1.571 25 residues pruned to eliminate duplicates Z: 25 37.810 2.316 1.120 0.557 0.917 0.625 CB 1.622 25 residues pruned to eliminate duplicates 430 residues left after pruning, divided into chains as follows: A: 46 B: 170 C: 176 D: 38 CC for partial structure against native data = 45.57 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.784, Connect. = 0.776 for dens.mod. cycle 1 = 0.300, Contrast = 0.893, Connect. = 0.804 for dens.mod. cycle 2 = 0.300, Contrast = 1.109, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.138, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.167, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 1.174, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.183, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.185, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.188, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.188, Connect. = 0.835 for dens.mod. cycle 10 TimeTaking 385.32