++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:59:43 on 15 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 ?? ** = 0.300, Contrast = 0.327, Connect. = 0.636 for dens.mod. cycle 1 = 0.300, Contrast = 0.508, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.854, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.999, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 1.072, Connect. = 0.810 for dens.mod. cycle 5 = 0.300, Contrast = 1.114, Connect. = 0.818 for dens.mod. cycle 6 = 0.300, Contrast = 1.139, Connect. = 0.823 for dens.mod. cycle 7 = 0.300, Contrast = 1.156, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 1.166, Connect. = 0.828 for dens.mod. cycle 9 = 0.300, Contrast = 1.173, Connect. = 0.830 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2624 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 602 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 67.198 2.566 1.108 0.922 1.000 0.773 CA 1.863 B: 23 62.549 2.570 1.064 0.927 1.000 0.864 CA 1.762 C: 59 42.654 2.370 0.927 0.371 0.897 0.603 CB 1.571 D: 23 61.344 2.554 0.951 0.927 1.000 0.909 CB 1.840 23 residues pruned to eliminate duplicates E: 23 71.695 2.570 1.348 0.913 0.955 0.773 CA 1.878 22 residues pruned to eliminate duplicates F: 24 52.224 2.513 0.757 0.894 0.957 0.826 CA 1.850 24 residues pruned to eliminate duplicates G: 15 35.533 2.508 1.430 0.786 0.786 0.571 CB 1.542 H: 30 36.770 2.387 1.343 0.397 0.862 0.517 CB 1.579 34 residues pruned to eliminate duplicates I: 23 58.255 2.567 0.906 0.914 1.000 0.909 CA 1.796 23 residues pruned to eliminate duplicates J: 24 64.463 2.514 1.071 0.911 1.000 0.739 CA 1.830 24 residues pruned to eliminate duplicates K: 23 61.448 2.553 1.031 0.926 1.000 0.955 CA 1.772 23 residues pruned to eliminate duplicates L: 15 45.023 2.492 1.409 0.910 0.929 0.786 CB 1.531 M: 14 52.295 2.630 1.363 0.840 1.000 0.769 CA 1.742 15 residues pruned to eliminate duplicates N: 23 64.936 2.585 1.010 0.924 1.000 0.955 CB 1.871 23 residues pruned to eliminate duplicates O: 14 49.119 2.608 1.399 0.865 1.000 0.769 CA 1.595 14 residues pruned to eliminate duplicates P: 24 61.549 2.497 1.024 0.912 1.000 0.826 CA 1.798 24 residues pruned to eliminate duplicates Q: 22 81.372 2.645 1.390 0.940 1.000 0.714 CA 1.951 23 residues pruned to eliminate duplicates R: 15 39.146 2.425 0.941 0.873 1.000 0.714 CB 1.619 15 residues pruned to eliminate duplicates S: 24 52.331 2.493 0.801 0.910 1.000 0.870 CA 1.724 24 residues pruned to eliminate duplicates T: 49 42.725 2.387 1.119 0.433 0.875 0.500 CB 1.493 8 residues pruned to eliminate duplicates U: 15 49.759 2.432 1.477 0.871 1.000 0.786 CA 1.610 15 residues pruned to eliminate duplicates V: 23 72.990 2.495 1.391 0.931 1.000 0.727 CB 1.823 23 residues pruned to eliminate duplicates W: 23 69.678 2.567 1.256 0.919 1.000 0.636 CA 1.808 23 residues pruned to eliminate duplicates X: 23 69.950 2.574 1.208 0.922 1.000 0.909 CB 1.845 23 residues pruned to eliminate duplicates Y: 24 68.396 2.531 1.271 0.899 0.957 0.652 CA 1.855 24 residues pruned to eliminate duplicates Z: 23 57.634 2.577 0.806 0.920 1.000 0.864 CA 1.859 23 residues pruned to eliminate duplicates Z: 7 34.932 2.455 1.658 0.706 1.000 0.833 CB 1.812 7 residues pruned to eliminate duplicates Z: 12 43.871 2.484 1.066 0.872 1.000 0.727 CA 1.879 12 residues pruned to eliminate duplicates Z: 110 98.023 2.457 1.250 0.517 0.945 0.642 CB 1.768 33 residues pruned to eliminate duplicates Z: 15 40.462 2.431 1.595 0.766 0.857 0.714 CA 1.579 15 residues pruned to eliminate duplicates Z: 24 51.259 2.468 0.777 0.917 1.000 0.957 CA 1.719 24 residues pruned to eliminate duplicates Z: 13 47.767 2.495 1.412 0.897 1.000 0.583 CB 1.640 13 residues pruned to eliminate duplicates Z: 47 41.921 2.318 0.970 0.496 0.957 0.674 CB 1.420 15 residues pruned to eliminate duplicates Z: 23 56.263 2.548 0.861 0.923 1.000 1.000 CA 1.778 23 residues pruned to eliminate duplicates Z: 15 40.434 2.472 0.974 0.911 1.000 0.857 CB 1.569 15 residues pruned to eliminate duplicates Z: 108 92.194 2.414 1.255 0.522 0.925 0.664 CB 1.732 23 residues pruned to eliminate duplicates Z: 12 12.004 1.978 0.782 0.494 0.818 0.455 CB 1.262 8 residues pruned to eliminate duplicates Z: 27 24.282 2.308 1.015 0.355 0.846 0.462 CB 1.415 27 residues pruned to eliminate duplicates Z: 24 58.613 2.458 1.287 0.890 0.913 0.652 CA 1.713 24 residues pruned to eliminate duplicates Z: 15 45.344 2.485 1.261 0.918 1.000 0.571 CB 1.521 15 residues pruned to eliminate duplicates Z: 15 44.753 2.464 1.218 0.913 1.000 0.786 CB 1.549 15 residues pruned to eliminate duplicates Z: 24 58.636 2.483 1.104 0.922 0.913 0.696 CB 1.803 24 residues pruned to eliminate duplicates Z: 22 79.515 2.613 1.502 0.919 1.000 0.667 CB 1.870 22 residues pruned to eliminate duplicates Z: 109 90.964 2.413 1.227 0.525 0.935 0.620 CB 1.699 108 residues pruned to eliminate duplicates Z: 51 54.344 2.369 1.246 0.403 0.920 0.580 CB 1.739 51 residues pruned to eliminate duplicates Z: 13 37.730 2.182 1.472 0.771 1.000 0.667 CA 1.589 13 residues pruned to eliminate duplicates Z: 23 69.796 2.539 1.318 0.932 0.955 0.727 CA 1.849 23 residues pruned to eliminate duplicates Z: 23 71.002 2.543 1.300 0.919 0.955 0.727 CA 1.911 23 residues pruned to eliminate duplicates Z: 12 21.892 2.093 0.847 0.835 1.000 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 23 70.986 2.565 1.257 0.908 1.000 0.773 CA 1.857 23 residues pruned to eliminate duplicates Z: 109 88.530 2.434 1.158 0.511 0.926 0.602 CB 1.733 109 residues pruned to eliminate duplicates Z: 43 47.327 2.344 1.269 0.370 0.929 0.571 CB 1.699 43 residues pruned to eliminate duplicates Z: 83 76.933 2.403 1.142 0.570 0.939 0.671 CB 1.642 83 residues pruned to eliminate duplicates Z: 49 41.101 2.272 1.123 0.375 0.854 0.562 CB 1.644 49 residues pruned to eliminate duplicates Z: 80 59.885 2.431 1.116 0.436 0.873 0.570 CB 1.602 82 residues pruned to eliminate duplicates Z: 110 94.671 2.447 1.244 0.508 0.945 0.606 CB 1.733 110 residues pruned to eliminate duplicates Z: 24 57.884 2.444 1.152 0.899 0.957 0.652 CA 1.715 24 residues pruned to eliminate duplicates Z: 39 46.826 2.402 1.228 0.393 0.895 0.605 CB 1.776 41 residues pruned to eliminate duplicates Z: 15 47.152 2.485 1.226 0.913 1.000 0.857 CB 1.612 15 residues pruned to eliminate duplicates Z: 23 59.938 2.544 1.036 0.916 0.955 0.636 CA 1.826 23 residues pruned to eliminate duplicates Z: 28 55.323 2.633 1.223 0.592 0.926 0.667 CB 1.798 24 residues pruned to eliminate duplicates Z: 22 59.523 2.563 0.981 0.922 1.000 0.714 CB 1.799 22 residues pruned to eliminate duplicates Z: 44 44.090 2.294 1.286 0.349 0.884 0.488 CB 1.708 39 residues pruned to eliminate duplicates Z: 22 77.733 2.645 1.293 0.914 1.000 0.714 CA 1.978 22 residues pruned to eliminate duplicates Z: 8 14.592 2.222 0.254 0.822 1.000 0.714 CA 1.497 8 residues pruned to eliminate duplicates Z: 50 48.963 2.325 1.162 0.398 0.898 0.633 CB 1.726 50 residues pruned to eliminate duplicates Z: 10 14.575 2.229 0.660 0.799 0.889 0.667 CB 1.137 10 residues pruned to eliminate duplicates Z: 23 52.794 2.534 0.766 0.909 1.000 0.727 CA 1.785 23 residues pruned to eliminate duplicates Z: 12 56.029 2.706 1.327 0.928 1.000 0.909 CB 1.879 12 residues pruned to eliminate duplicates Z: 24 17.698 1.973 0.943 0.349 0.870 0.565 CB 1.305 5 residues pruned to eliminate duplicates Z: 38 33.853 2.123 1.247 0.483 0.919 0.459 CB 1.292 11 residues pruned to eliminate duplicates Z: 24 57.640 2.507 1.071 0.894 0.957 0.652 CB 1.736 24 residues pruned to eliminate duplicates Z: 15 42.640 2.379 1.174 0.862 1.000 0.786 CB 1.617 15 residues pruned to eliminate duplicates Z: 28 21.874 2.190 0.973 0.319 0.852 0.481 CB 1.396 28 residues pruned to eliminate duplicates Z: 110 92.186 2.451 1.234 0.501 0.927 0.661 CB 1.739 114 residues pruned to eliminate duplicates Z: 21 21.883 2.340 1.085 0.338 0.800 0.450 CB 1.497 21 residues pruned to eliminate duplicates Z: 7 7.447 1.736 1.062 0.330 0.833 0.500 CB 1.228 Z: 13 22.126 2.198 1.154 0.719 0.750 0.667 CB 1.475 13 residues pruned to eliminate duplicates Z: 83 81.381 2.414 1.158 0.565 0.963 0.646 CB 1.681 83 residues pruned to eliminate duplicates Z: 24 70.134 2.460 1.387 0.924 1.000 0.609 CB 1.750 24 residues pruned to eliminate duplicates Z: 23 64.124 2.568 1.025 0.929 1.000 0.773 CA 1.840 23 residues pruned to eliminate duplicates Z: 77 52.544 2.325 1.200 0.463 0.842 0.566 CB 1.453 75 residues pruned to eliminate duplicates Z: 110 87.721 2.391 1.096 0.507 0.954 0.642 CB 1.745 110 residues pruned to eliminate duplicates Z: 49 56.860 2.441 1.279 0.395 0.938 0.583 CB 1.758 49 residues pruned to eliminate duplicates Z: 33 38.637 2.332 0.990 0.514 0.938 0.562 CB 1.547 33 residues pruned to eliminate duplicates Z: 39 31.792 2.231 1.194 0.474 0.816 0.526 CB 1.325 39 residues pruned to eliminate duplicates Z: 26 25.478 2.332 0.934 0.371 0.880 0.520 CB 1.473 26 residues pruned to eliminate duplicates Z: 27 30.104 2.401 1.102 0.537 0.846 0.538 CB 1.333 27 residues pruned to eliminate duplicates Z: 13 22.665 2.100 1.111 0.705 0.750 0.583 CA 1.633 13 residues pruned to eliminate duplicates Z: 11 33.874 2.407 1.041 0.862 0.900 0.400 CB 1.780 11 residues pruned to eliminate duplicates Z: 45 60.655 2.533 1.155 0.552 0.977 0.636 CB 1.630 51 residues pruned to eliminate duplicates Z: 21 22.543 1.989 1.089 0.710 0.800 0.400 CB 1.254 21 residues pruned to eliminate duplicates Z: 108 92.668 2.420 1.232 0.520 0.944 0.607 CB 1.723 110 residues pruned to eliminate duplicates Z: 13 30.023 2.189 1.089 0.734 1.000 0.667 CA 1.536 13 residues pruned to eliminate duplicates Z: 83 77.150 2.400 1.143 0.561 0.939 0.671 CB 1.664 83 residues pruned to eliminate duplicates Z: 83 84.185 2.387 1.216 0.575 0.927 0.646 CB 1.764 83 residues pruned to eliminate duplicates Z: 71 50.428 2.376 1.201 0.417 0.886 0.486 CB 1.419 69 residues pruned to eliminate duplicates Z: 10 17.903 2.218 0.582 0.847 0.889 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 70 82.005 2.452 1.193 0.594 0.957 0.652 CB 1.755 70 residues pruned to eliminate duplicates Z: 109 93.603 2.464 1.204 0.507 0.935 0.620 CB 1.761 109 residues pruned to eliminate duplicates Z: 48 49.469 2.318 1.145 0.570 0.894 0.660 CB 1.517 48 residues pruned to eliminate duplicates Z: 13 30.080 2.247 1.059 0.787 1.000 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 51 48.998 2.384 1.104 0.535 0.900 0.660 CB 1.482 51 residues pruned to eliminate duplicates Z: 83 78.934 2.392 1.106 0.560 0.963 0.622 CB 1.694 83 residues pruned to eliminate duplicates Z: 6 9.077 2.100 0.405 0.776 0.800 0.400 CA 1.347 6 residues pruned to eliminate duplicates Z: 82 74.971 2.378 1.137 0.555 0.926 0.630 CB 1.678 82 residues pruned to eliminate duplicates Z: 79 55.426 2.320 1.119 0.473 0.885 0.538 CB 1.483 78 residues pruned to eliminate duplicates Z: 15 35.091 2.330 1.016 0.826 1.000 0.714 CA 1.506 15 residues pruned to eliminate duplicates Z: 21 23.819 2.093 1.188 0.613 0.800 0.400 CB 1.307 14 residues pruned to eliminate duplicates Z: 50 45.018 2.311 1.113 0.377 0.878 0.592 CB 1.712 50 residues pruned to eliminate duplicates Z: 103 94.778 2.430 1.254 0.579 0.951 0.686 CB 1.670 106 residues pruned to eliminate duplicates Z: 32 71.312 2.486 1.285 0.774 0.935 0.774 CB 1.891 32 residues pruned to eliminate duplicates Z: 72 82.623 2.437 1.139 0.600 0.972 0.718 CB 1.760 72 residues pruned to eliminate duplicates Z: 108 89.475 2.440 1.220 0.512 0.916 0.654 CB 1.723 108 residues pruned to eliminate duplicates Z: 178 109.298 2.458 1.217 0.494 0.904 0.599 CB 1.678 178 residues pruned to eliminate duplicates Z: 108 96.159 2.453 1.237 0.525 0.935 0.682 CB 1.768 98 residues pruned to eliminate duplicates Z: 108 90.701 2.404 1.208 0.539 0.925 0.636 CB 1.717 108 residues pruned to eliminate duplicates Z: 79 59.507 2.476 1.080 0.442 0.872 0.615 CB 1.593 79 residues pruned to eliminate duplicates Z: 13 26.259 2.192 1.047 0.746 1.000 0.667 CB 1.356 13 residues pruned to eliminate duplicates Z: 21 45.478 2.545 1.471 0.636 0.900 0.500 CB 1.583 22 residues pruned to eliminate duplicates Z: 6 7.292 2.134 0.189 0.748 0.800 0.400 CA 1.287 6 residues pruned to eliminate duplicates Z: 10 20.732 2.169 0.598 0.908 1.000 1.000 CA 1.416 10 residues pruned to eliminate duplicates Z: 23 59.462 2.562 0.941 0.901 1.000 0.818 CA 1.819 23 residues pruned to eliminate duplicates Z: 11 17.181 2.096 0.637 0.846 1.000 0.800 CB 1.176 11 residues pruned to eliminate duplicates Z: 26 43.305 2.519 1.167 0.602 0.880 0.600 CB 1.637 26 residues pruned to eliminate duplicates Z: 106 88.685 2.398 1.171 0.507 0.943 0.676 CB 1.751 106 residues pruned to eliminate duplicates Z: 19 38.483 2.337 0.700 0.929 1.000 0.833 CB 1.599 19 residues pruned to eliminate duplicates Z: 11 15.896 1.962 0.804 0.841 0.900 0.800 CB 1.176 11 residues pruned to eliminate duplicates Z: 108 98.209 2.446 1.264 0.518 0.935 0.626 CB 1.802 108 residues pruned to eliminate duplicates Z: 108 92.805 2.451 1.246 0.514 0.916 0.607 CB 1.755 108 residues pruned to eliminate duplicates Z: 47 30.678 2.208 0.964 0.432 0.826 0.543 CB 1.355 47 residues pruned to eliminate duplicates Z: 15 38.770 2.401 1.099 0.921 0.857 0.714 CA 1.688 15 residues pruned to eliminate duplicates Z: 70 82.630 2.457 1.234 0.587 0.971 0.652 CB 1.718 70 residues pruned to eliminate duplicates Z: 25 40.347 2.398 1.218 0.643 0.833 0.667 CB 1.627 25 residues pruned to eliminate duplicates Z: 110 89.458 2.399 1.265 0.510 0.927 0.578 CB 1.685 110 residues pruned to eliminate duplicates Z: 23 52.473 2.528 0.849 0.915 0.955 0.773 CA 1.772 23 residues pruned to eliminate duplicates Z: 80 59.537 2.481 1.137 0.448 0.861 0.620 CB 1.549 80 residues pruned to eliminate duplicates Z: 14 15.389 1.826 0.782 0.734 0.769 0.692 CB 1.382 14 residues pruned to eliminate duplicates Z: 69 80.109 2.471 1.251 0.588 0.926 0.706 CB 1.732 69 residues pruned to eliminate duplicates Z: 11 16.516 2.057 0.713 0.771 0.900 0.700 CB 1.296 11 residues pruned to eliminate duplicates Z: 69 85.089 2.472 1.186 0.608 0.956 0.750 CB 1.803 70 residues pruned to eliminate duplicates Z: 77 77.512 2.400 1.103 0.559 0.974 0.632 CB 1.709 77 residues pruned to eliminate duplicates Z: 83 74.282 2.360 1.174 0.552 0.927 0.622 CB 1.640 83 residues pruned to eliminate duplicates Z: 108 95.119 2.470 1.223 0.509 0.935 0.645 CB 1.776 108 residues pruned to eliminate duplicates Z: 51 73.144 2.430 1.149 0.679 0.940 0.760 CB 1.787 51 residues pruned to eliminate duplicates Z: 11 5.154 1.867 0.929 0.197 0.800 0.200 CB 0.811 11 residues pruned to eliminate duplicates Z: 7 9.563 2.057 1.573 0.432 0.667 0.667 CB 1.187 7 residues pruned to eliminate duplicates Z: 113 79.857 2.340 1.100 0.477 0.946 0.607 CB 1.661 113 residues pruned to eliminate duplicates Z: 23 19.620 2.115 0.696 0.529 0.773 0.500 CB 1.466 23 residues pruned to eliminate duplicates Z: 108 84.812 2.424 1.202 0.506 0.888 0.626 CB 1.719 108 residues pruned to eliminate duplicates Z: 12 36.009 2.346 1.158 0.793 1.000 0.636 CB 1.659 12 residues pruned to eliminate duplicates Z: 13 34.528 2.202 1.263 0.768 1.000 0.833 CB 1.577 13 residues pruned to eliminate duplicates Z: 69 65.022 2.400 1.183 0.442 0.926 0.603 CB 1.725 69 residues pruned to eliminate duplicates Z: 108 99.361 2.466 1.282 0.520 0.944 0.664 CB 1.773 108 residues pruned to eliminate duplicates Z: 83 72.730 2.357 1.153 0.552 0.915 0.695 CB 1.646 83 residues pruned to eliminate duplicates Z: 110 90.017 2.423 1.163 0.515 0.917 0.587 CB 1.766 110 residues pruned to eliminate duplicates Z: 17 50.645 2.503 0.904 0.923 1.000 1.000 CA 1.867 17 residues pruned to eliminate duplicates Z: 108 88.496 2.423 1.137 0.521 0.944 0.626 CB 1.714 108 residues pruned to eliminate duplicates Z: 42 65.997 2.516 1.107 0.651 0.927 0.756 CB 1.823 42 residues pruned to eliminate duplicates Z: 23 53.412 2.539 0.775 0.902 1.000 0.818 CA 1.803 23 residues pruned to eliminate duplicates Z: 82 87.484 2.459 1.143 0.566 0.975 0.654 CB 1.774 82 residues pruned to eliminate duplicates Z: 108 86.014 2.417 1.171 0.503 0.925 0.617 CB 1.708 108 residues pruned to eliminate duplicates Z: 11 25.174 2.203 1.081 0.867 1.000 0.900 CB 1.271 11 residues pruned to eliminate duplicates Z: 24 44.983 2.371 1.027 0.762 0.870 0.696 CB 1.778 24 residues pruned to eliminate duplicates Z: 79 59.916 2.295 1.122 0.416 0.923 0.654 CB 1.648 79 residues pruned to eliminate duplicates Z: 96 64.891 2.350 1.050 0.417 0.926 0.674 CB 1.626 97 residues pruned to eliminate duplicates Z: 9 15.288 2.359 0.621 0.855 0.875 0.750 CB 1.192 9 residues pruned to eliminate duplicates Z: 110 91.049 2.456 1.246 0.496 0.917 0.651 CB 1.730 110 residues pruned to eliminate duplicates Z: 24 26.053 2.220 0.982 0.368 0.913 0.609 CB 1.559 24 residues pruned to eliminate duplicates Z: 24 21.616 2.165 0.878 0.415 0.870 0.652 CB 1.393 24 residues pruned to eliminate duplicates Z: 7 10.985 1.838 0.985 0.415 1.000 0.500 CB 1.343 4 residues pruned to eliminate duplicates Z: 114 69.772 2.434 1.067 0.436 0.903 0.531 CB 1.545 114 residues pruned to eliminate duplicates Z: 13 17.109 1.927 0.795 0.806 1.000 0.750 CB 1.094 13 residues pruned to eliminate duplicates Z: 24 69.587 2.477 1.315 0.933 1.000 0.783 CB 1.766 24 residues pruned to eliminate duplicates Z: 12 30.836 2.348 1.164 0.812 0.909 0.455 CB 1.534 12 residues pruned to eliminate duplicates Z: 58 52.435 2.455 1.093 0.442 0.895 0.649 CB 1.603 58 residues pruned to eliminate duplicates Z: 157 100.051 2.431 1.107 0.517 0.897 0.654 CB 1.713 160 residues pruned to eliminate duplicates Z: 108 89.071 2.414 1.218 0.522 0.916 0.664 CB 1.717 108 residues pruned to eliminate duplicates Z: 83 75.290 2.397 1.162 0.546 0.902 0.622 CB 1.700 83 residues pruned to eliminate duplicates Z: 108 86.472 2.402 1.122 0.496 0.963 0.636 CB 1.709 108 residues pruned to eliminate duplicates Z: 15 37.070 2.430 1.109 0.920 1.000 0.786 CB 1.362 15 residues pruned to eliminate duplicates Z: 14 28.855 2.492 0.410 0.908 0.923 0.923 CA 1.752 14 residues pruned to eliminate duplicates Z: 50 45.246 2.312 1.165 0.383 0.878 0.612 CB 1.666 50 residues pruned to eliminate duplicates Z: 109 97.295 2.454 1.300 0.522 0.944 0.648 CB 1.718 109 residues pruned to eliminate duplicates Z: 15 47.704 2.506 1.252 0.925 1.000 0.643 CB 1.585 15 residues pruned to eliminate duplicates Z: 112 87.538 2.417 1.144 0.507 0.910 0.604 CB 1.749 112 residues pruned to eliminate duplicates Z: 108 97.667 2.458 1.237 0.519 0.944 0.664 CB 1.786 108 residues pruned to eliminate duplicates Z: 7 9.940 1.864 0.539 0.658 1.000 0.500 CA 1.221 Z: 100 85.757 2.400 1.123 0.520 0.949 0.646 CB 1.747 100 residues pruned to eliminate duplicates Z: 71 83.971 2.431 1.199 0.590 0.957 0.743 CB 1.800 71 residues pruned to eliminate duplicates Z: 48 56.099 2.406 1.225 0.433 0.936 0.723 CB 1.749 48 residues pruned to eliminate duplicates Z: 7 16.122 2.352 1.061 0.508 0.833 0.500 CB 1.616 7 residues pruned to eliminate duplicates Z: 48 33.077 2.333 1.082 0.314 0.809 0.426 CB 1.509 48 residues pruned to eliminate duplicates Z: 6 9.148 1.780 0.766 0.593 1.000 0.600 CB 1.191 6 residues pruned to eliminate duplicates Z: 105 84.080 2.409 1.156 0.483 0.923 0.692 CB 1.750 106 residues pruned to eliminate duplicates Z: 22 56.844 2.604 1.019 0.813 0.952 0.762 CA 1.886 22 residues pruned to eliminate duplicates Z: 16 18.414 2.271 1.393 0.338 0.800 0.533 CB 1.306 16 residues pruned to eliminate duplicates Z: 12 26.897 2.052 1.062 0.852 1.000 0.636 CB 1.418 12 residues pruned to eliminate duplicates Z: 108 89.834 2.412 1.236 0.515 0.944 0.598 CB 1.680 108 residues pruned to eliminate duplicates Z: 10 27.282 2.254 0.899 0.883 1.000 0.778 CB 1.536 10 residues pruned to eliminate duplicates Z: 14 31.664 2.367 0.984 0.783 1.000 0.846 CA 1.457 14 residues pruned to eliminate duplicates Z: 22 19.969 2.241 1.130 0.337 0.857 0.429 CB 1.273 22 residues pruned to eliminate duplicates Z: 7 8.858 1.846 0.576 0.642 0.833 0.500 CA 1.306 7 residues pruned to eliminate duplicates Z: 71 80.014 2.446 1.129 0.590 0.943 0.700 CB 1.787 71 residues pruned to eliminate duplicates Z: 108 89.957 2.418 1.186 0.531 0.907 0.636 CB 1.761 108 residues pruned to eliminate duplicates Z: 109 91.995 2.425 1.246 0.521 0.935 0.667 CB 1.701 109 residues pruned to eliminate duplicates Z: 20 22.969 2.036 1.003 0.472 0.842 0.579 CB 1.578 20 residues pruned to eliminate duplicates Z: 64 84.755 2.463 1.223 0.618 0.952 0.683 CB 1.832 64 residues pruned to eliminate duplicates Z: 50 54.179 2.396 1.277 0.423 0.918 0.653 CB 1.673 50 residues pruned to eliminate duplicates Z: 11 46.745 2.708 1.123 0.924 1.000 0.900 CB 1.805 11 residues pruned to eliminate duplicates Z: 14 32.350 2.088 1.198 0.805 1.000 0.692 CB 1.498 14 residues pruned to eliminate duplicates Z: 23 52.980 2.502 0.915 0.871 0.955 0.818 CB 1.801 23 residues pruned to eliminate duplicates Z: 15 20.708 2.256 1.239 0.451 0.786 0.714 CB 1.467 15 residues pruned to eliminate duplicates Z: 24 34.496 2.299 1.111 0.527 0.913 0.652 CB 1.580 24 residues pruned to eliminate duplicates Z: 109 93.736 2.460 1.254 0.507 0.926 0.685 CB 1.745 109 residues pruned to eliminate duplicates Z: 108 93.682 2.455 1.259 0.512 0.925 0.607 CB 1.745 107 residues pruned to eliminate duplicates Z: 109 86.353 2.388 1.170 0.499 0.935 0.648 CB 1.716 109 residues pruned to eliminate duplicates Z: 95 78.101 2.354 1.131 0.549 0.915 0.574 CB 1.673 95 residues pruned to eliminate duplicates Z: 49 58.940 2.394 1.305 0.431 0.938 0.646 CB 1.766 48 residues pruned to eliminate duplicates Z: 53 43.273 2.330 1.051 0.519 0.827 0.615 CB 1.490 53 residues pruned to eliminate duplicates Z: 11 31.340 2.126 1.135 0.856 1.000 0.900 CA 1.610 11 residues pruned to eliminate duplicates Z: 52 31.620 2.146 1.080 0.410 0.824 0.647 CB 1.324 52 residues pruned to eliminate duplicates Z: 110 86.705 2.381 1.202 0.502 0.917 0.642 CB 1.724 110 residues pruned to eliminate duplicates Z: 12 22.741 1.981 1.049 0.804 0.909 0.636 CB 1.424 12 residues pruned to eliminate duplicates Z: 13 8.795 2.042 0.383 0.337 0.833 0.500 CB 1.289 13 residues pruned to eliminate duplicates Z: 10 35.439 2.429 1.023 0.927 1.000 0.778 CB 1.685 10 residues pruned to eliminate duplicates Z: 26 34.802 2.182 1.019 0.601 0.960 0.600 CB 1.494 27 residues pruned to eliminate duplicates Z: 6 14.606 2.342 1.181 0.513 0.800 0.600 CB 1.578 6 residues pruned to eliminate duplicates Z: 7 9.951 1.751 0.903 0.524 0.833 0.833 N 1.429 7 residues pruned to eliminate duplicates Z: 48 49.802 2.307 1.257 0.391 0.894 0.596 CB 1.753 48 residues pruned to eliminate duplicates Z: 21 43.191 2.476 1.350 0.426 0.950 0.600 CB 1.886 23 residues pruned to eliminate duplicates Z: 22 31.645 2.301 1.139 0.368 0.905 0.714 CB 1.787 22 residues pruned to eliminate duplicates Z: 29 35.901 2.263 0.976 0.517 0.929 0.607 CB 1.606 29 residues pruned to eliminate duplicates Z: 29 30.589 2.235 0.773 0.530 0.929 0.786 CB 1.526 29 residues pruned to eliminate duplicates Z: 54 43.899 2.334 1.023 0.513 0.887 0.642 CB 1.421 54 residues pruned to eliminate duplicates Z: 9 14.630 2.287 0.617 0.396 1.000 0.750 CB 1.560 9 residues pruned to eliminate duplicates Z: 22 43.716 2.403 1.334 0.591 0.952 0.524 CB 1.638 26 residues pruned to eliminate duplicates Z: 109 84.535 2.377 1.260 0.504 0.917 0.620 CB 1.644 109 residues pruned to eliminate duplicates Z: 79 58.484 2.484 1.071 0.462 0.859 0.590 CB 1.558 79 residues pruned to eliminate duplicates Z: 58 63.291 2.372 1.359 0.426 0.947 0.649 CB 1.707 58 residues pruned to eliminate duplicates Z: 23 64.145 2.535 1.074 0.909 1.000 0.864 CA 1.846 23 residues pruned to eliminate duplicates Z: 36 34.588 2.168 1.118 0.501 0.914 0.600 CB 1.391 36 residues pruned to eliminate duplicates Z: 14 15.625 1.859 0.930 0.711 0.846 0.538 CB 1.179 14 residues pruned to eliminate duplicates Z: 49 52.607 2.383 1.174 0.413 0.917 0.646 CB 1.752 49 residues pruned to eliminate duplicates Z: 24 55.657 2.395 1.138 0.916 0.913 0.609 CA 1.753 24 residues pruned to eliminate duplicates Z: 31 30.769 2.322 1.104 0.319 0.833 0.600 CB 1.685 31 residues pruned to eliminate duplicates Z: 68 66.501 2.401 1.100 0.531 0.925 0.627 CB 1.689 68 residues pruned to eliminate duplicates Z: 8 14.882 1.971 0.639 0.785 1.000 0.286 CB 1.355 8 residues pruned to eliminate duplicates Z: 6 3.610 1.671 0.789 0.302 0.600 0.400 CA 1.123 6 residues pruned to eliminate duplicates Z: 10 10.827 2.015 0.456 0.322 1.000 0.444 N 1.496 10 residues pruned to eliminate duplicates Z: 67 58.313 2.354 1.111 0.431 0.924 0.621 CB 1.679 67 residues pruned to eliminate duplicates Z: 23 55.297 2.535 0.921 0.878 0.955 0.773 CA 1.840 23 residues pruned to eliminate duplicates Z: 16 26.146 2.195 1.463 0.489 0.933 0.600 CB 1.352 16 residues pruned to eliminate duplicates Z: 21 46.850 2.490 0.892 0.856 0.900 0.700 CA 1.822 21 residues pruned to eliminate duplicates Z: 14 17.817 2.169 0.809 0.400 0.923 0.538 CB 1.516 14 residues pruned to eliminate duplicates Z: 111 93.913 2.461 1.209 0.582 0.936 0.664 CB 1.626 111 residues pruned to eliminate duplicates Z: 15 10.008 1.840 0.588 0.406 0.857 0.571 CB 1.180 15 residues pruned to eliminate duplicates Z: 11 27.668 2.090 0.897 0.859 1.000 1.000 CA 1.623 11 residues pruned to eliminate duplicates Z: 82 78.780 2.385 1.219 0.552 0.951 0.667 CB 1.655 82 residues pruned to eliminate duplicates Z: 29 26.128 2.222 1.180 0.384 0.857 0.536 CB 1.346 29 residues pruned to eliminate duplicates Z: 15 16.338 2.236 1.175 0.345 0.786 0.357 CB 1.353 15 residues pruned to eliminate duplicates Z: 15 31.960 2.282 1.402 0.476 1.000 0.571 CB 1.596 15 residues pruned to eliminate duplicates Z: 7 9.193 1.876 0.521 0.689 1.000 0.667 CB 1.106 3 residues pruned to eliminate duplicates Z: 117 75.418 2.425 1.208 0.455 0.914 0.526 CB 1.498 117 residues pruned to eliminate duplicates Z: 16 34.002 2.339 0.981 0.848 0.867 0.600 CB 1.622 16 residues pruned to eliminate duplicates Z: 6 15.451 2.217 1.701 0.501 0.800 0.800 CB 1.441 5 residues pruned to eliminate duplicates Z: 10 19.561 2.280 1.393 0.513 0.778 0.667 CB 1.516 10 residues pruned to eliminate duplicates Z: 23 16.098 2.171 0.651 0.330 0.773 0.636 CA 1.493 23 residues pruned to eliminate duplicates Z: 62 40.037 2.383 1.073 0.362 0.836 0.508 CB 1.441 62 residues pruned to eliminate duplicates Z: 37 25.589 2.226 1.099 0.334 0.806 0.528 CB 1.360 37 residues pruned to eliminate duplicates Z: 9 14.367 1.897 0.526 0.801 0.875 0.625 CA 1.541 9 residues pruned to eliminate duplicates Z: 40 60.043 2.459 1.129 0.676 0.923 0.667 CB 1.692 40 residues pruned to eliminate duplicates Z: 12 8.538 2.014 0.239 0.364 0.818 0.545 CB 1.459 12 residues pruned to eliminate duplicates Z: 37 32.891 2.149 1.234 0.480 0.861 0.528 CB 1.354 37 residues pruned to eliminate duplicates Z: 49 47.106 2.314 1.164 0.433 0.896 0.646 CB 1.625 49 residues pruned to eliminate duplicates Z: 9 10.699 1.730 0.460 0.799 0.875 0.750 CB 1.317 9 residues pruned to eliminate duplicates Z: 26 35.888 2.460 1.034 0.552 0.840 0.440 CB 1.623 26 residues pruned to eliminate duplicates Z: 15 13.080 1.997 1.013 0.353 0.929 0.571 CB 1.097 15 residues pruned to eliminate duplicates Z: 22 24.685 2.279 0.667 0.393 0.952 0.619 CB 1.667 22 residues pruned to eliminate duplicates Z: 89 62.990 2.293 1.156 0.419 0.875 0.602 CB 1.689 89 residues pruned to eliminate duplicates Z: 15 20.899 1.931 0.800 0.748 0.929 0.500 CB 1.388 15 residues pruned to eliminate duplicates Z: 96 55.308 2.404 0.983 0.422 0.863 0.484 CB 1.495 96 residues pruned to eliminate duplicates Z: 50 50.231 2.356 1.219 0.552 0.898 0.653 CB 1.453 50 residues pruned to eliminate duplicates Z: 59 60.548 2.483 1.045 0.507 0.914 0.655 CB 1.703 59 residues pruned to eliminate duplicates Z: 100 88.765 2.387 1.133 0.535 0.970 0.677 CB 1.745 100 residues pruned to eliminate duplicates Z: 14 34.687 2.539 0.989 0.922 0.923 0.615 CB 1.452 14 residues pruned to eliminate duplicates Z: 13 9.774 1.973 0.649 0.310 0.833 0.500 CB 1.285 13 residues pruned to eliminate duplicates Z: 36 27.634 2.200 1.057 0.320 0.914 0.543 CB 1.376 36 residues pruned to eliminate duplicates Z: 40 30.037 2.251 0.825 0.368 0.846 0.538 CB 1.594 40 residues pruned to eliminate duplicates Z: 6 5.271 1.932 0.705 0.323 0.600 0.600 CA 1.450 6 residues pruned to eliminate duplicates Z: 21 20.957 2.268 1.236 0.352 0.800 0.550 CB 1.355 21 residues pruned to eliminate duplicates Z: 7 12.552 2.083 0.644 0.616 1.000 0.833 CA 1.340 7 residues pruned to eliminate duplicates Z: 70 77.736 2.457 1.150 0.564 0.942 0.710 CB 1.767 70 residues pruned to eliminate duplicates Z: 16 37.876 2.284 1.108 0.891 1.000 0.733 CB 1.461 16 residues pruned to eliminate duplicates Z: 16 37.438 2.286 1.089 0.894 1.000 0.733 CA 1.452 16 residues pruned to eliminate duplicates Z: 32 37.228 2.250 1.058 0.410 0.935 0.613 CB 1.696 32 residues pruned to eliminate duplicates Z: 60 88.797 2.484 1.274 0.651 0.983 0.695 CB 1.809 60 residues pruned to eliminate duplicates Z: 21 30.102 2.405 1.042 0.644 0.800 0.300 CB 1.498 21 residues pruned to eliminate duplicates Z: 7 8.329 1.786 0.572 0.613 0.833 0.500 CA 1.305 7 residues pruned to eliminate duplicates Z: 69 55.827 2.261 1.076 0.444 0.926 0.588 CB 1.649 69 residues pruned to eliminate duplicates Z: 43 31.489 2.150 1.054 0.350 0.857 0.524 CB 1.510 43 residues pruned to eliminate duplicates Z: 10 10.378 1.691 0.472 0.644 1.000 0.444 CB 1.215 10 residues pruned to eliminate duplicates Z: 12 22.422 1.953 1.046 0.870 0.909 0.545 CB 1.359 12 residues pruned to eliminate duplicates Z: 11 7.754 1.794 0.627 0.344 0.800 0.300 CB 1.244 11 residues pruned to eliminate duplicates Z: 18 17.933 2.158 1.115 0.353 0.882 0.412 CB 1.266 18 residues pruned to eliminate duplicates Z: 44 45.775 2.333 1.093 0.420 0.884 0.605 CB 1.759 44 residues pruned to eliminate duplicates Z: 23 65.873 2.500 1.215 0.895 1.000 0.773 CA 1.818 23 residues pruned to eliminate duplicates Z: 24 37.162 2.488 1.218 0.340 0.957 0.565 CB 1.748 24 residues pruned to eliminate duplicates Z: 115 80.252 2.459 1.254 0.480 0.895 0.570 CB 1.547 115 residues pruned to eliminate duplicates Z: 9 15.689 1.904 0.813 0.811 0.875 0.625 CA 1.401 9 residues pruned to eliminate duplicates Z: 10 10.922 2.031 0.779 0.529 0.778 0.778 CB 1.259 10 residues pruned to eliminate duplicates Z: 10 17.205 2.315 0.967 0.526 0.889 0.667 CB 1.381 10 residues pruned to eliminate duplicates Z: 7 6.584 1.930 0.943 0.289 0.667 0.333 CB 1.363 Z: 40 33.855 2.149 1.128 0.480 0.923 0.538 CB 1.311 40 residues pruned to eliminate duplicates Z: 21 40.001 2.346 1.258 0.559 0.950 0.500 CB 1.678 21 residues pruned to eliminate duplicates Z: 23 60.320 2.535 0.954 0.912 1.000 0.955 CA 1.839 23 residues pruned to eliminate duplicates Z: 21 16.432 2.177 1.149 0.264 0.800 0.450 CB 1.286 21 residues pruned to eliminate duplicates Z: 10 38.850 2.445 1.266 0.922 1.000 0.667 CB 1.644 10 residues pruned to eliminate duplicates Z: 11 20.641 1.987 0.980 0.782 1.000 0.600 CB 1.295 11 residues pruned to eliminate duplicates Z: 45 38.613 2.346 1.225 0.426 0.841 0.500 CB 1.432 45 residues pruned to eliminate duplicates Z: 54 50.860 2.488 1.092 0.506 0.868 0.585 CB 1.537 54 residues pruned to eliminate duplicates Z: 17 13.785 2.247 1.001 0.305 0.750 0.375 CB 1.269 17 residues pruned to eliminate duplicates Z: 6 4.437 1.619 0.411 0.694 0.800 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 6 9.850 1.947 0.335 0.755 1.000 0.600 CB 1.350 6 residues pruned to eliminate duplicates Z: 91 87.673 2.412 1.165 0.554 0.956 0.633 CB 1.758 91 residues pruned to eliminate duplicates Z: 34 58.341 2.501 1.400 0.476 0.939 0.788 CB 1.847 35 residues pruned to eliminate duplicates Z: 6 6.990 1.937 0.266 0.616 1.000 1.000 CB 1.141 6 residues pruned to eliminate duplicates Z: 11 16.436 1.652 0.770 0.822 1.000 0.600 CB 1.345 11 residues pruned to eliminate duplicates Z: 10 16.299 1.767 0.664 0.809 1.000 0.556 CA 1.411 10 residues pruned to eliminate duplicates Z: 13 24.498 2.089 0.953 0.736 0.917 0.750 CB 1.530 13 residues pruned to eliminate duplicates Z: 10 18.930 2.345 1.069 0.477 0.889 0.556 CA 1.498 10 residues pruned to eliminate duplicates Z: 35 45.586 2.441 1.213 0.599 0.912 0.618 CB 1.444 35 residues pruned to eliminate duplicates Z: 7 5.259 1.797 0.803 0.365 0.833 0.500 CB 0.920 Z: 107 91.554 2.461 1.144 0.497 0.953 0.632 CB 1.774 107 residues pruned to eliminate duplicates Z: 6 5.224 1.721 0.780 0.460 0.600 0.600 N 1.324 6 residues pruned to eliminate duplicates Z: 9 9.587 1.744 0.475 0.706 0.875 0.375 CA 1.249 9 residues pruned to eliminate duplicates Z: 23 78.265 2.573 1.390 0.911 1.000 0.727 CA 1.923 23 residues pruned to eliminate duplicates Z: 37 38.182 2.300 1.181 0.494 0.917 0.528 CB 1.391 37 residues pruned to eliminate duplicates Z: 16 30.731 2.383 1.487 0.420 0.933 0.533 CB 1.560 16 residues pruned to eliminate duplicates Z: 37 38.584 2.260 1.115 0.531 0.944 0.611 CB 1.382 37 residues pruned to eliminate duplicates Z: 59 52.047 2.301 1.181 0.415 0.914 0.534 CB 1.628 59 residues pruned to eliminate duplicates Z: 11 22.438 2.172 1.089 0.485 1.000 0.700 CB 1.587 12 residues pruned to eliminate duplicates Z: 10 7.077 1.954 0.372 0.271 0.778 0.556 CB 1.466 10 residues pruned to eliminate duplicates Z: 105 92.910 2.465 1.274 0.494 0.942 0.615 CB 1.736 105 residues pruned to eliminate duplicates Z: 28 28.506 2.307 1.239 0.377 0.815 0.519 CB 1.487 28 residues pruned to eliminate duplicates Z: 9 22.848 2.314 0.917 0.880 0.875 0.375 CB 1.508 9 residues pruned to eliminate duplicates Z: 28 43.314 2.437 1.320 0.399 0.926 0.667 CB 1.772 28 residues pruned to eliminate duplicates Z: 41 44.471 2.387 0.998 0.564 0.875 0.525 CB 1.584 41 residues pruned to eliminate duplicates Z: 6 5.124 1.892 1.504 0.214 0.600 0.400 CB 1.129 6 residues pruned to eliminate duplicates Z: 10 12.979 1.719 0.563 0.814 0.889 0.556 CB 1.378 10 residues pruned to eliminate duplicates Z: 9 14.529 2.210 1.696 0.330 0.750 0.625 CB 1.386 9 residues pruned to eliminate duplicates Z: 10 8.361 2.248 0.792 0.385 0.778 0.556 CB 1.005 10 residues pruned to eliminate duplicates Z: 15 6.278 1.935 0.631 0.244 0.643 0.214 CB 1.111 15 residues pruned to eliminate duplicates Z: 82 79.714 2.416 1.251 0.557 0.938 0.605 CB 1.642 82 residues pruned to eliminate duplicates Z: 15 15.164 2.037 0.863 0.393 0.786 0.571 CB 1.522 15 residues pruned to eliminate duplicates Z: 7 4.102 1.525 0.392 0.378 0.833 0.500 O 1.078 7 residues pruned to eliminate duplicates Z: 10 4.432 1.710 0.572 0.188 0.556 0.333 O 1.438 10 residues pruned to eliminate duplicates Z: 17 27.901 2.290 1.138 0.429 0.938 0.625 CB 1.636 17 residues pruned to eliminate duplicates Z: 16 5.541 1.873 0.612 0.083 0.733 0.333 CB 1.109 16 residues pruned to eliminate duplicates Z: 9 12.940 1.820 0.538 0.809 0.875 0.375 CB 1.428 9 residues pruned to eliminate duplicates Z: 61 50.502 2.334 1.198 0.382 0.900 0.533 CB 1.600 61 residues pruned to eliminate duplicates Z: 9 9.449 1.902 0.860 0.449 0.750 0.625 CA 1.327 9 residues pruned to eliminate duplicates Z: 52 49.210 2.350 1.045 0.411 0.922 0.686 CB 1.709 52 residues pruned to eliminate duplicates Z: 36 25.662 2.061 0.845 0.484 0.914 0.486 CB 1.267 36 residues pruned to eliminate duplicates Z: 9 3.957 1.424 0.395 0.318 0.875 0.500 CB 0.984 Z: 109 81.659 2.385 1.070 0.502 0.935 0.639 CB 1.698 109 residues pruned to eliminate duplicates Z: 9 13.602 1.941 1.055 0.610 0.875 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 49 55.054 2.374 1.309 0.391 0.938 0.583 CB 1.735 49 residues pruned to eliminate duplicates Z: 29 36.792 2.282 0.948 0.531 0.929 0.714 CB 1.634 29 residues pruned to eliminate duplicates Z: 12 8.894 1.795 0.930 0.347 0.727 0.636 CA 1.255 12 residues pruned to eliminate duplicates Z: 64 75.049 2.431 1.132 0.567 0.968 0.746 CB 1.767 64 residues pruned to eliminate duplicates Z: 8 15.429 1.934 1.383 0.654 0.857 0.857 CB 1.279 8 residues pruned to eliminate duplicates Z: 24 28.125 2.045 1.157 0.576 0.913 0.565 CB 1.353 24 residues pruned to eliminate duplicates Z: 86 80.186 2.364 1.181 0.544 0.941 0.671 CB 1.718 86 residues pruned to eliminate duplicates Z: 44 45.887 2.409 1.041 0.523 0.860 0.674 CB 1.616 44 residues pruned to eliminate duplicates Z: 14 41.704 2.503 1.089 0.845 0.923 0.615 CB 1.781 14 residues pruned to eliminate duplicates Z: 11 12.686 2.193 0.459 0.423 1.000 0.800 CB 1.358 11 residues pruned to eliminate duplicates Z: 7 11.939 1.964 0.680 0.831 0.833 0.333 CB 1.332 7 residues pruned to eliminate duplicates Z: 65 78.031 2.441 1.180 0.607 0.969 0.672 CB 1.708 65 residues pruned to eliminate duplicates Z: 6 3.614 1.328 -0.013 0.641 1.000 0.400 CB 1.080 6 residues pruned to eliminate duplicates Z: 50 46.399 2.394 0.908 0.542 0.878 0.612 CB 1.588 50 residues pruned to eliminate duplicates Z: 6 5.375 1.839 0.081 0.724 0.800 0.800 CA 1.235 6 residues pruned to eliminate duplicates Z: 15 22.480 2.216 0.820 0.451 0.929 0.643 CB 1.686 15 residues pruned to eliminate duplicates Z: 7 3.747 1.575 0.138 0.395 0.833 0.333 CB 1.143 Z: 6 4.089 1.704 0.246 0.400 0.800 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 56 73.824 2.445 1.163 0.592 0.964 0.745 CB 1.789 56 residues pruned to eliminate duplicates Z: 88 79.701 2.430 1.186 0.510 0.931 0.632 CB 1.711 88 residues pruned to eliminate duplicates Z: 51 52.277 2.301 1.062 0.479 0.960 0.720 CB 1.658 51 residues pruned to eliminate duplicates Z: 14 24.573 2.226 0.959 0.604 1.000 0.769 CB 1.416 13 residues pruned to eliminate duplicates Z: 118 89.411 2.387 1.079 0.551 0.949 0.692 CB 1.670 118 residues pruned to eliminate duplicates Z: 13 28.312 2.294 0.925 0.537 1.000 0.833 CA 1.785 13 residues pruned to eliminate duplicates Z: 20 25.774 2.189 1.242 0.433 0.895 0.579 CB 1.444 20 residues pruned to eliminate duplicates Z: 22 73.034 2.605 1.349 0.921 1.000 0.714 CB 1.833 22 residues pruned to eliminate duplicates Z: 16 23.025 2.257 1.005 0.426 0.867 0.533 CB 1.637 16 residues pruned to eliminate duplicates Z: 9 3.267 1.920 0.732 0.125 0.750 0.250 CB 0.741 9 residues pruned to eliminate duplicates Z: 9 11.605 1.802 0.921 0.684 0.750 0.625 CB 1.335 9 residues pruned to eliminate duplicates Z: 67 52.967 2.290 1.027 0.423 0.924 0.621 CB 1.646 67 residues pruned to eliminate duplicates Z: 35 60.520 2.455 1.232 0.686 0.941 0.500 CB 1.698 35 residues pruned to eliminate duplicates Z: 28 22.492 2.239 0.916 0.363 0.815 0.519 CB 1.435 28 residues pruned to eliminate duplicates Z: 6 12.697 2.142 1.315 0.656 0.800 0.800 CA 1.239 6 residues pruned to eliminate duplicates Z: 27 39.950 2.334 1.141 0.482 0.923 0.538 CB 1.731 27 residues pruned to eliminate duplicates Z: 11 21.371 2.436 0.829 0.520 0.900 0.900 CB 1.652 11 residues pruned to eliminate duplicates Z: 23 64.998 2.540 1.054 0.897 1.000 0.864 CA 1.902 23 residues pruned to eliminate duplicates Z: 37 45.715 2.375 1.324 0.426 0.889 0.639 CB 1.677 37 residues pruned to eliminate duplicates Z: 6 3.496 1.548 0.944 0.303 0.800 0.800 CB 0.809 4 residues pruned to eliminate duplicates Z: 15 10.313 2.016 0.429 0.382 0.714 0.429 CB 1.519 15 residues pruned to eliminate duplicates Z: 30 37.335 2.381 1.103 0.522 0.897 0.517 CB 1.511 30 residues pruned to eliminate duplicates 7 1.053 1.452 -0.213 0.303 0.500 0.500 N 0.937 ? Z: 148 97.416 2.395 1.190 0.507 0.912 0.653 CB 1.669 148 residues pruned to eliminate duplicates Z: 7 6.614 1.829 0.689 0.547 0.667 0.333 CA 1.253 7 residues pruned to eliminate duplicates Z: 70 54.981 2.363 1.115 0.490 0.855 0.594 CB 1.565 70 residues pruned to eliminate duplicates Z: 6 4.650 1.588 0.647 0.610 1.000 1.000 N 0.716 Z: 8 4.102 1.623 0.091 0.463 0.857 0.714 CB 1.061 Z: 114 77.658 2.413 1.277 0.464 0.894 0.566 CB 1.543 114 residues pruned to eliminate duplicates Z: 42 38.374 2.327 1.024 0.474 0.878 0.659 CB 1.487 42 residues pruned to eliminate duplicates Z: 59 57.315 2.373 1.288 0.401 0.931 0.586 CB 1.652 59 residues pruned to eliminate duplicates Z: 9 9.126 1.846 0.742 0.269 1.000 0.625 CB 1.305 9 residues pruned to eliminate duplicates Z: 14 8.921 1.687 0.466 0.531 0.769 0.692 CB 1.262 14 residues pruned to eliminate duplicates Z: 79 52.531 2.231 1.031 0.417 0.897 0.551 CB 1.596 79 residues pruned to eliminate duplicates Z: 10 4.482 1.599 0.123 0.320 1.000 0.333 CB 1.015 Z: 8 5.676 1.686 0.809 0.214 0.857 0.429 N 1.149 Z: 9 8.853 1.669 0.224 0.812 0.875 0.500 CB 1.334 9 residues pruned to eliminate duplicates Z: 27 26.046 2.249 1.100 0.361 0.808 0.538 CB 1.556 27 residues pruned to eliminate duplicates Z: 8 2.301 1.387 0.444 0.198 0.571 0.143 CB 1.088 8 residues pruned to eliminate duplicates Z: 9 4.017 1.929 1.032 0.140 0.750 0.375 CB 0.755 9 residues pruned to eliminate duplicates Z: 23 24.467 2.036 1.072 0.387 0.909 0.636 CB 1.534 23 residues pruned to eliminate duplicates Z: 10 17.803 2.270 0.674 0.878 0.889 0.667 CB 1.275 10 residues pruned to eliminate duplicates Z: 14 17.584 2.277 1.195 0.351 0.846 0.692 CB 1.355 14 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 102 B: 114 C: 221 CC for partial structure against native data = 45.37 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.780, Connect. = 0.777 for dens.mod. cycle 1 = 0.300, Contrast = 0.896, Connect. = 0.806 for dens.mod. cycle 2 = 0.300, Contrast = 1.111, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.144, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.171, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 1.177, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.185, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.186, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.189, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.188, Connect. = 0.835 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2708 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: 24 54.680 2.610 0.793 0.909 0.957 0.783 CA 1.807 B: 23 63.726 2.662 0.854 0.919 1.000 0.818 CA 1.941 C: 23 67.840 2.658 0.998 0.915 1.000 0.864 CA 1.925 24 residues pruned to eliminate duplicates D: 24 59.327 2.600 0.734 0.926 1.000 0.957 CA 1.923 24 residues pruned to eliminate duplicates E: 24 58.530 2.607 0.893 0.912 1.000 0.870 CA 1.752 24 residues pruned to eliminate duplicates F: 56 58.791 2.588 1.042 0.491 0.873 0.564 CB 1.734 G: 22 52.132 2.683 0.571 0.912 0.952 0.857 CA 2.007 22 residues pruned to eliminate duplicates H: 23 66.938 2.674 1.010 0.896 1.000 0.591 CA 1.902 23 residues pruned to eliminate duplicates I: 16 41.802 2.445 1.115 0.898 1.000 0.733 CB 1.492 J: 14 49.027 2.613 1.369 0.858 0.923 0.923 CB 1.753 26 residues pruned to eliminate duplicates K: 22 60.735 2.729 0.801 0.925 1.000 0.810 CA 1.892 22 residues pruned to eliminate duplicates L: 23 62.028 2.613 0.820 0.904 1.000 0.818 CB 1.980 24 residues pruned to eliminate duplicates M: 24 63.542 2.629 0.940 0.926 1.000 0.783 CA 1.822 24 residues pruned to eliminate duplicates N: 16 49.421 2.458 1.408 0.881 1.000 0.733 CB 1.561 14 residues pruned to eliminate duplicates O: 15 48.407 2.580 1.149 0.852 0.929 0.714 CA 1.859 16 residues pruned to eliminate duplicates P: 76 70.329 2.564 1.099 0.457 0.920 0.587 CB 1.713 52 residues pruned to eliminate duplicates Q: 23 66.071 2.685 1.074 0.914 1.000 0.909 CA 1.789 24 residues pruned to eliminate duplicates R: 87 56.752 2.410 1.080 0.413 0.872 0.523 CB 1.534 57 residues pruned to eliminate duplicates S: 15 36.940 2.506 1.039 0.893 0.857 0.714 CB 1.619 15 residues pruned to eliminate duplicates T: 16 37.110 2.408 1.015 0.925 1.000 0.667 CB 1.386 16 residues pruned to eliminate duplicates U: 82 91.734 2.542 1.134 0.569 0.963 0.642 CB 1.825 22 residues pruned to eliminate duplicates V: 23 64.087 2.670 0.904 0.919 0.955 0.909 CA 1.984 23 residues pruned to eliminate duplicates W: 23 65.251 2.642 1.042 0.930 0.955 0.773 CB 1.889 23 residues pruned to eliminate duplicates X: 23 66.954 2.647 0.951 0.934 1.000 0.909 CB 1.927 23 residues pruned to eliminate duplicates Y: 23 74.267 2.658 1.156 0.915 1.000 0.864 CB 1.953 22 residues pruned to eliminate duplicates Z: 23 79.311 2.648 1.242 0.919 1.000 0.591 CA 2.006 23 residues pruned to eliminate duplicates Z: 16 45.670 2.510 1.431 0.807 0.867 0.800 CA 1.706 16 residues pruned to eliminate duplicates Z: 24 59.333 2.557 0.863 0.924 0.957 0.739 CA 1.906 23 residues pruned to eliminate duplicates Z: 22 63.590 2.701 0.860 0.932 0.952 0.857 CA 2.025 22 residues pruned to eliminate duplicates Z: 24 53.688 2.554 0.654 0.931 1.000 1.000 CA 1.852 24 residues pruned to eliminate duplicates Z: 16 44.945 2.430 1.177 0.847 1.000 0.800 CB 1.628 16 residues pruned to eliminate duplicates Z: 24 71.669 2.574 1.096 0.922 1.000 0.913 CB 1.948 24 residues pruned to eliminate duplicates Z: 9 20.816 2.484 0.567 0.854 0.875 0.875 CB 1.596 9 residues pruned to eliminate duplicates Z: 23 59.839 2.648 0.828 0.917 1.000 0.773 CA 1.860 23 residues pruned to eliminate duplicates Z: 15 46.409 2.513 1.040 0.923 1.000 0.643 CB 1.700 15 residues pruned to eliminate duplicates Z: 15 47.556 2.542 1.056 0.881 1.000 0.786 CB 1.761 15 residues pruned to eliminate duplicates Z: 15 43.551 2.559 1.426 0.816 0.929 0.786 CB 1.534 15 residues pruned to eliminate duplicates Z: 15 40.072 2.415 1.043 0.839 1.000 0.571 CA 1.622 15 residues pruned to eliminate duplicates Z: 11 19.789 2.227 0.712 0.853 1.000 0.700 CB 1.213 11 residues pruned to eliminate duplicates Z: 23 56.344 2.652 0.792 0.916 0.955 0.909 CA 1.871 23 residues pruned to eliminate duplicates Z: 24 76.767 2.612 1.294 0.922 1.000 0.696 CA 1.878 24 residues pruned to eliminate duplicates Z: 72 82.662 2.529 1.051 0.582 0.958 0.718 CB 1.824 72 residues pruned to eliminate duplicates Z: 12 37.832 2.420 1.232 0.785 1.000 0.636 CA 1.644 12 residues pruned to eliminate duplicates Z: 22 52.097 2.621 0.571 0.903 1.000 0.857 CA 1.969 22 residues pruned to eliminate duplicates Z: 15 16.089 2.280 1.102 0.332 0.786 0.429 CB 1.373 15 residues pruned to eliminate duplicates Z: 10 23.318 2.401 0.607 0.832 1.000 0.778 CB 1.512 10 residues pruned to eliminate duplicates Z: 23 62.124 2.670 0.866 0.923 1.000 0.864 CA 1.868 23 residues pruned to eliminate duplicates Z: 150 96.083 2.515 1.025 0.482 0.899 0.584 CB 1.750 92 residues pruned to eliminate duplicates Z: 24 67.821 2.575 1.066 0.926 0.957 0.652 CB 1.948 24 residues pruned to eliminate duplicates Z: 23 61.585 2.627 0.831 0.928 1.000 0.773 CA 1.911 23 residues pruned to eliminate duplicates Z: 53 47.858 2.384 0.902 0.524 0.923 0.635 CB 1.548 23 residues pruned to eliminate duplicates Z: 51 50.787 2.488 1.014 0.541 0.860 0.660 CB 1.601 46 residues pruned to eliminate duplicates Z: 39 49.539 2.500 1.161 0.394 0.895 0.605 CB 1.859 13 residues pruned to eliminate duplicates Z: 25 25.798 2.240 0.816 0.397 0.875 0.583 CB 1.650 25 residues pruned to eliminate duplicates Z: 24 63.789 2.576 0.932 0.926 1.000 0.783 CA 1.875 24 residues pruned to eliminate duplicates Z: 24 57.554 2.609 1.008 0.877 0.913 0.652 CB 1.823 24 residues pruned to eliminate duplicates Z: 84 76.274 2.447 1.058 0.516 0.940 0.675 CB 1.741 84 residues pruned to eliminate duplicates Z: 114 69.049 2.383 1.096 0.461 0.894 0.522 CB 1.515 51 residues pruned to eliminate duplicates Z: 49 54.648 2.476 1.105 0.411 0.917 0.604 CB 1.812 49 residues pruned to eliminate duplicates Z: 110 93.200 2.495 1.106 0.506 0.936 0.615 CB 1.804 83 residues pruned to eliminate duplicates Z: 81 91.173 2.540 1.128 0.584 0.963 0.637 CB 1.808 81 residues pruned to eliminate duplicates Z: 23 71.296 2.672 1.065 0.928 1.000 0.909 CA 1.929 23 residues pruned to eliminate duplicates Z: 26 31.334 2.422 0.914 0.347 0.840 0.600 CB 1.901 26 residues pruned to eliminate duplicates Z: 23 74.426 2.668 1.206 0.921 1.000 0.818 CA 1.898 23 residues pruned to eliminate duplicates Z: 13 56.297 2.753 1.249 0.870 1.000 0.750 CA 1.916 13 residues pruned to eliminate duplicates Z: 15 34.912 2.484 0.994 0.822 0.929 0.643 CB 1.534 15 residues pruned to eliminate duplicates Z: 22 68.449 2.684 1.049 0.909 1.000 0.762 CB 1.929 22 residues pruned to eliminate duplicates Z: 24 65.145 2.593 1.065 0.912 1.000 0.652 CA 1.796 24 residues pruned to eliminate duplicates Z: 40 52.241 2.466 1.278 0.406 0.897 0.641 CB 1.832 39 residues pruned to eliminate duplicates Z: 25 33.099 2.399 1.228 0.522 0.833 0.500 CB 1.485 25 residues pruned to eliminate duplicates Z: 12 30.331 2.245 1.255 0.506 1.000 0.545 CB 1.795 12 residues pruned to eliminate duplicates Z: 23 68.760 2.666 1.050 0.912 1.000 0.545 CA 1.899 23 residues pruned to eliminate duplicates Z: 79 66.529 2.553 1.049 0.473 0.897 0.551 CB 1.650 79 residues pruned to eliminate duplicates Z: 34 33.286 2.389 0.900 0.465 0.909 0.636 CB 1.455 34 residues pruned to eliminate duplicates Z: 13 55.291 2.767 1.103 0.903 1.000 0.917 CA 1.955 13 residues pruned to eliminate duplicates Z: 17 14.664 2.204 0.799 0.394 0.812 0.375 CB 1.273 17 residues pruned to eliminate duplicates Z: 109 86.938 2.494 1.052 0.513 0.917 0.630 CB 1.760 109 residues pruned to eliminate duplicates Z: 12 36.404 2.434 1.281 0.786 0.909 0.909 CA 1.692 12 residues pruned to eliminate duplicates Z: 72 64.276 2.635 1.012 0.452 0.873 0.521 CB 1.730 72 residues pruned to eliminate duplicates Z: 15 38.854 2.483 1.052 0.898 1.000 0.857 CB 1.458 15 residues pruned to eliminate duplicates Z: 70 81.984 2.575 1.057 0.585 0.942 0.696 CB 1.823 70 residues pruned to eliminate duplicates Z: 23 57.672 2.649 0.829 0.897 0.955 0.727 CA 1.904 23 residues pruned to eliminate duplicates Z: 10 23.286 2.237 0.666 0.882 1.000 0.889 CA 1.508 10 residues pruned to eliminate duplicates Z: 24 20.294 2.216 0.631 0.425 0.826 0.522 CB 1.531 24 residues pruned to eliminate duplicates Z: 81 85.447 2.511 1.096 0.559 0.963 0.613 CB 1.780 81 residues pruned to eliminate duplicates Z: 48 48.449 2.402 1.101 0.394 0.894 0.660 CB 1.753 48 residues pruned to eliminate duplicates Z: 14 42.914 2.573 1.039 0.848 1.000 0.923 CA 1.682 14 residues pruned to eliminate duplicates Z: 70 77.252 2.532 0.958 0.598 0.957 0.710 CB 1.786 70 residues pruned to eliminate duplicates Z: 21 32.327 2.558 1.118 0.413 0.850 0.550 CB 1.721 21 residues pruned to eliminate duplicates Z: 108 89.984 2.496 1.068 0.503 0.944 0.654 CB 1.781 108 residues pruned to eliminate duplicates Z: 24 56.260 2.558 0.808 0.935 0.957 0.913 CA 1.848 24 residues pruned to eliminate duplicates Z: 14 48.915 2.686 1.032 0.920 1.000 0.692 CB 1.750 14 residues pruned to eliminate duplicates Z: 22 33.295 2.275 1.093 0.460 0.952 0.667 CB 1.670 22 residues pruned to eliminate duplicates Z: 13 31.199 2.309 0.994 0.761 1.000 0.583 CA 1.551 13 residues pruned to eliminate duplicates Z: 39 44.091 2.469 1.000 0.402 0.895 0.632 CB 1.794 39 residues pruned to eliminate duplicates Z: 20 24.251 2.506 0.777 0.408 0.789 0.579 CB 1.743 20 residues pruned to eliminate duplicates Z: 23 78.006 2.642 1.262 0.940 1.000 0.773 CA 1.933 23 residues pruned to eliminate duplicates Z: 48 50.339 2.415 1.107 0.399 0.915 0.574 CB 1.754 48 residues pruned to eliminate duplicates Z: 28 24.398 2.245 1.085 0.324 0.852 0.519 CB 1.429 28 residues pruned to eliminate duplicates Z: 109 94.453 2.533 1.105 0.500 0.935 0.676 CB 1.822 109 residues pruned to eliminate duplicates Z: 40 42.989 2.391 1.065 0.404 0.897 0.641 CB 1.718 40 residues pruned to eliminate duplicates Z: 10 14.339 2.111 0.806 0.762 0.667 0.556 CB 1.490 10 residues pruned to eliminate duplicates Z: 15 44.857 2.471 1.015 0.924 1.000 0.929 CB 1.690 15 residues pruned to eliminate duplicates Z: 26 30.933 2.354 0.861 0.538 0.880 0.640 CB 1.547 15 residues pruned to eliminate duplicates Z: 70 84.751 2.535 1.119 0.579 0.971 0.725 CB 1.812 70 residues pruned to eliminate duplicates Z: 23 69.735 2.652 1.190 0.868 0.955 0.591 CA 1.961 23 residues pruned to eliminate duplicates Z: 71 88.134 2.567 1.138 0.573 0.943 0.657 CB 1.897 71 residues pruned to eliminate duplicates Z: 23 46.371 2.604 1.268 0.584 0.909 0.636 CB 1.698 23 residues pruned to eliminate duplicates Z: 64 43.370 2.280 1.011 0.435 0.905 0.603 CB 1.409 64 residues pruned to eliminate duplicates Z: 14 32.250 2.159 1.055 0.738 1.000 0.538 CB 1.628 14 residues pruned to eliminate duplicates Z: 12 14.233 2.093 0.263 0.759 0.909 0.818 CA 1.417 12 residues pruned to eliminate duplicates Z: 70 86.805 2.544 1.095 0.584 0.971 0.609 CB 1.863 70 residues pruned to eliminate duplicates Z: 117 102.668 2.537 1.093 0.572 0.948 0.629 CB 1.765 119 residues pruned to eliminate duplicates Z: 12 23.865 2.112 0.882 0.798 0.909 0.727 CB 1.535 12 residues pruned to eliminate duplicates Z: 71 75.153 2.543 0.981 0.551 0.943 0.614 CB 1.801 71 residues pruned to eliminate duplicates Z: 24 63.018 2.604 1.072 0.882 0.957 0.739 CB 1.843 24 residues pruned to eliminate duplicates Z: 111 92.358 2.487 1.116 0.498 0.955 0.636 CB 1.756 111 residues pruned to eliminate duplicates Z: 130 111.360 2.564 1.219 0.525 0.922 0.628 CB 1.822 130 residues pruned to eliminate duplicates Z: 70 88.214 2.565 1.130 0.579 0.957 0.638 CB 1.883 70 residues pruned to eliminate duplicates Z: 70 85.006 2.567 1.040 0.588 0.971 0.652 CB 1.851 70 residues pruned to eliminate duplicates Z: 108 88.628 2.483 1.092 0.502 0.953 0.636 CB 1.727 108 residues pruned to eliminate duplicates Z: 55 58.092 2.599 0.926 0.528 0.889 0.630 CB 1.729 55 residues pruned to eliminate duplicates Z: 27 23.079 2.341 0.932 0.351 0.808 0.577 CB 1.456 27 residues pruned to eliminate duplicates Z: 12 35.490 2.277 0.974 0.884 1.000 0.636 CA 1.720 12 residues pruned to eliminate duplicates Z: 109 101.265 2.543 1.207 0.516 0.926 0.639 CB 1.845 109 residues pruned to eliminate duplicates Z: 36 42.255 2.431 1.202 0.481 0.886 0.600 CB 1.535 38 residues pruned to eliminate duplicates Z: 49 41.080 2.324 1.004 0.355 0.875 0.479 CB 1.702 49 residues pruned to eliminate duplicates Z: 24 49.425 2.535 0.541 0.923 1.000 0.870 CA 1.854 24 residues pruned to eliminate duplicates Z: 109 89.144 2.499 1.018 0.543 0.926 0.685 CB 1.761 109 residues pruned to eliminate duplicates Z: 22 47.367 2.665 0.506 0.921 1.000 0.952 CA 1.812 22 residues pruned to eliminate duplicates Z: 70 81.754 2.540 1.052 0.584 0.971 0.623 CB 1.793 70 residues pruned to eliminate duplicates Z: 11 55.767 2.755 1.192 0.929 1.000 0.400 CB 2.043 11 residues pruned to eliminate duplicates Z: 42 49.249 2.520 0.929 0.578 0.878 0.732 CB 1.672 42 residues pruned to eliminate duplicates Z: 68 45.319 2.241 1.074 0.445 0.881 0.567 CB 1.431 68 residues pruned to eliminate duplicates Z: 108 92.115 2.508 1.023 0.508 0.963 0.645 CB 1.809 108 residues pruned to eliminate duplicates Z: 13 33.744 2.250 1.049 0.801 1.000 0.833 CA 1.624 13 residues pruned to eliminate duplicates Z: 83 81.157 2.516 1.049 0.556 0.927 0.683 CB 1.776 83 residues pruned to eliminate duplicates Z: 50 51.566 2.444 1.018 0.393 0.918 0.592 CB 1.822 50 residues pruned to eliminate duplicates Z: 109 92.368 2.512 1.103 0.519 0.944 0.639 CB 1.749 109 residues pruned to eliminate duplicates Z: 8 11.798 2.201 1.065 0.385 0.714 0.714 CB 1.553 8 residues pruned to eliminate duplicates Z: 22 42.151 2.580 1.103 0.609 0.952 0.429 CB 1.605 22 residues pruned to eliminate duplicates Z: 39 53.511 2.496 1.244 0.403 0.921 0.658 CB 1.864 39 residues pruned to eliminate duplicates Z: 42 79.118 2.544 1.244 0.669 0.951 0.707 CA 1.946 42 residues pruned to eliminate duplicates Z: 42 42.209 2.358 0.869 0.477 0.927 0.512 CB 1.653 42 residues pruned to eliminate duplicates Z: 9 18.434 2.350 0.396 0.849 1.000 0.875 CB 1.472 9 residues pruned to eliminate duplicates Z: 90 76.718 2.472 1.028 0.522 0.910 0.618 CB 1.744 90 residues pruned to eliminate duplicates Z: 6 7.068 2.051 0.537 0.586 1.000 0.600 CB 0.923 6 residues pruned to eliminate duplicates Z: 49 51.818 2.469 1.061 0.414 0.896 0.500 CB 1.794 49 residues pruned to eliminate duplicates Z: 42 57.614 2.661 0.981 0.572 0.878 0.707 CB 1.812 42 residues pruned to eliminate duplicates Z: 70 86.732 2.558 1.123 0.602 0.957 0.638 CB 1.824 70 residues pruned to eliminate duplicates Z: 108 90.539 2.503 1.052 0.509 0.944 0.710 CB 1.790 108 residues pruned to eliminate duplicates Z: 11 26.301 2.163 0.867 0.856 0.900 0.700 CB 1.688 11 residues pruned to eliminate duplicates Z: 25 44.464 2.617 0.985 0.625 0.917 0.625 CB 1.695 25 residues pruned to eliminate duplicates Z: 149 105.744 2.559 1.012 0.525 0.926 0.655 CB 1.780 148 residues pruned to eliminate duplicates Z: 82 85.225 2.494 1.131 0.525 0.963 0.630 CB 1.805 82 residues pruned to eliminate duplicates Z: 40 37.416 2.390 1.203 0.433 0.846 0.487 CB 1.441 40 residues pruned to eliminate duplicates Z: 13 29.878 2.305 0.945 0.747 0.917 0.667 CA 1.683 13 residues pruned to eliminate duplicates Z: 70 81.983 2.573 1.089 0.575 0.942 0.638 CB 1.812 70 residues pruned to eliminate duplicates Z: 108 92.155 2.515 1.107 0.524 0.935 0.636 CB 1.757 108 residues pruned to eliminate duplicates Z: 82 80.936 2.497 1.130 0.550 0.926 0.691 CB 1.738 82 residues pruned to eliminate duplicates Z: 22 68.050 2.728 0.882 0.919 1.000 0.810 CA 2.037 22 residues pruned to eliminate duplicates Z: 108 84.849 2.487 1.006 0.491 0.925 0.645 CB 1.794 108 residues pruned to eliminate duplicates Z: 50 43.522 2.359 1.097 0.374 0.878 0.592 CB 1.638 50 residues pruned to eliminate duplicates Z: 9 7.920 2.216 0.394 0.216 0.750 0.375 CB 1.687 9 residues pruned to eliminate duplicates Z: 23 77.349 2.650 1.162 0.925 1.000 0.636 CA 2.020 23 residues pruned to eliminate duplicates Z: 12 29.828 2.085 1.081 0.828 1.000 0.909 CB 1.561 12 residues pruned to eliminate duplicates Z: 71 82.548 2.558 1.093 0.575 0.943 0.686 CB 1.818 71 residues pruned to eliminate duplicates Z: 11 16.403 2.055 0.885 0.739 0.800 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 39 51.762 2.506 1.214 0.395 0.921 0.605 CB 1.836 39 residues pruned to eliminate duplicates Z: 154 97.763 2.477 1.074 0.467 0.908 0.569 CB 1.751 153 residues pruned to eliminate duplicates Z: 115 104.641 2.564 1.112 0.578 0.939 0.693 CB 1.788 115 residues pruned to eliminate duplicates Z: 71 79.472 2.516 0.992 0.574 0.943 0.657 CB 1.871 71 residues pruned to eliminate duplicates Z: 70 90.286 2.559 1.150 0.594 0.971 0.623 CB 1.860 70 residues pruned to eliminate duplicates Z: 73 52.081 2.381 0.958 0.474 0.903 0.611 CB 1.497 73 residues pruned to eliminate duplicates Z: 24 68.825 2.564 1.057 0.936 1.000 0.739 CB 1.895 24 residues pruned to eliminate duplicates Z: 37 30.921 2.218 1.031 0.469 0.861 0.500 CB 1.371 37 residues pruned to eliminate duplicates Z: 70 79.060 2.509 1.022 0.587 0.971 0.623 CB 1.778 70 residues pruned to eliminate duplicates Z: 12 23.694 2.081 0.803 0.779 1.000 0.727 CB 1.489 12 residues pruned to eliminate duplicates Z: 13 22.911 1.914 0.801 0.838 1.000 0.667 CA 1.433 13 residues pruned to eliminate duplicates Z: 37 29.236 2.172 0.846 0.476 0.889 0.528 CB 1.401 37 residues pruned to eliminate duplicates Z: 19 27.195 2.491 0.755 0.424 0.833 0.667 CB 1.905 19 residues pruned to eliminate duplicates Z: 38 53.612 2.485 1.264 0.421 0.919 0.622 CB 1.851 38 residues pruned to eliminate duplicates Z: 15 44.884 2.537 1.214 0.861 0.929 0.786 CB 1.690 15 residues pruned to eliminate duplicates Z: 108 89.428 2.501 1.035 0.522 0.953 0.710 CB 1.743 108 residues pruned to eliminate duplicates Z: 16 30.116 2.373 0.679 0.923 0.933 0.800 CB 1.469 16 residues pruned to eliminate duplicates Z: 16 29.481 2.208 0.618 0.918 1.000 0.800 CA 1.503 16 residues pruned to eliminate duplicates Z: 74 62.962 2.437 1.059 0.431 0.918 0.616 CB 1.719 74 residues pruned to eliminate duplicates Z: 103 89.016 2.470 1.051 0.543 0.931 0.735 CB 1.791 104 residues pruned to eliminate duplicates Z: 9 7.239 2.239 0.514 0.322 0.875 0.500 CB 1.049 9 residues pruned to eliminate duplicates Z: 14 29.114 2.153 0.936 0.763 1.000 0.846 CA 1.534 14 residues pruned to eliminate duplicates Z: 108 96.470 2.543 1.138 0.511 0.916 0.636 CB 1.852 108 residues pruned to eliminate duplicates Z: 11 25.744 2.154 0.931 0.814 0.900 0.700 CB 1.655 11 residues pruned to eliminate duplicates Z: 12 35.142 2.389 1.021 0.857 1.000 0.636 CB 1.617 12 residues pruned to eliminate duplicates Z: 108 93.144 2.508 1.077 0.526 0.953 0.701 CB 1.768 108 residues pruned to eliminate duplicates Z: 11 32.935 2.170 1.080 0.849 1.000 0.800 CA 1.711 11 residues pruned to eliminate duplicates Z: 22 77.949 2.711 1.208 0.910 1.000 0.952 CA 2.016 22 residues pruned to eliminate duplicates Z: 48 59.933 2.482 1.045 0.552 0.957 0.681 CB 1.710 48 residues pruned to eliminate duplicates Z: 22 25.001 2.036 1.052 0.432 0.905 0.571 CB 1.548 22 residues pruned to eliminate duplicates Z: 110 97.362 2.529 1.129 0.508 0.936 0.679 CB 1.837 110 residues pruned to eliminate duplicates Z: 64 47.199 2.520 0.871 0.407 0.825 0.556 CB 1.685 64 residues pruned to eliminate duplicates Z: 71 78.605 2.525 1.035 0.577 0.943 0.643 CB 1.801 71 residues pruned to eliminate duplicates Z: 69 85.461 2.594 1.112 0.574 0.941 0.603 CB 1.871 69 residues pruned to eliminate duplicates Z: 50 54.319 2.492 0.965 0.564 0.878 0.633 CB 1.696 50 residues pruned to eliminate duplicates Z: 13 29.933 2.483 0.601 0.910 0.833 0.417 CB 1.849 13 residues pruned to eliminate duplicates Z: 157 100.397 2.517 1.018 0.491 0.904 0.647 CB 1.766 157 residues pruned to eliminate duplicates Z: 25 27.908 2.237 0.808 0.561 0.833 0.667 CB 1.593 25 residues pruned to eliminate duplicates Z: 108 99.945 2.545 1.142 0.510 0.925 0.636 CB 1.897 108 residues pruned to eliminate duplicates Z: 86 68.957 2.475 0.951 0.518 0.894 0.482 CB 1.702 86 residues pruned to eliminate duplicates Z: 110 95.675 2.498 1.137 0.507 0.954 0.642 CB 1.788 109 residues pruned to eliminate duplicates Z: 109 90.376 2.512 1.082 0.505 0.935 0.648 CB 1.769 109 residues pruned to eliminate duplicates Z: 53 36.966 2.415 1.111 0.386 0.769 0.481 CB 1.475 53 residues pruned to eliminate duplicates Z: 6 8.997 1.966 0.833 0.543 0.800 0.400 CB 1.339 6 residues pruned to eliminate duplicates Z: 100 81.068 2.427 1.087 0.505 0.939 0.646 CB 1.705 100 residues pruned to eliminate duplicates Z: 65 66.343 2.485 0.888 0.573 0.922 0.688 CB 1.788 65 residues pruned to eliminate duplicates Z: 11 21.266 2.222 0.576 0.897 0.900 0.800 CB 1.527 11 residues pruned to eliminate duplicates Z: 68 59.087 2.373 1.079 0.444 0.925 0.582 CB 1.675 68 residues pruned to eliminate duplicates Z: 8 2.788 1.591 -0.090 0.421 0.714 0.429 C 1.107 Z: 40 35.431 2.220 1.046 0.476 0.923 0.385 CB 1.387 40 residues pruned to eliminate duplicates Z: 11 20.466 2.125 0.941 0.811 1.000 0.700 CB 1.197 11 residues pruned to eliminate duplicates Z: 53 47.120 2.305 1.002 0.419 0.942 0.654 CB 1.635 53 residues pruned to eliminate duplicates Z: 16 36.123 2.324 1.437 0.567 0.933 0.667 CB 1.654 16 residues pruned to eliminate duplicates Z: 8 5.758 1.740 0.709 0.471 0.714 0.714 CB 1.055 8 residues pruned to eliminate duplicates Z: 69 86.215 2.562 1.041 0.595 0.985 0.691 CB 1.854 69 residues pruned to eliminate duplicates Z: 82 82.990 2.484 1.106 0.564 0.951 0.679 CB 1.743 82 residues pruned to eliminate duplicates Z: 71 81.577 2.569 1.031 0.592 0.929 0.657 CB 1.843 71 residues pruned to eliminate duplicates Z: 23 62.100 2.577 1.150 0.902 0.909 0.773 CA 1.875 23 residues pruned to eliminate duplicates Z: 111 77.440 2.517 1.076 0.481 0.900 0.627 CB 1.600 109 residues pruned to eliminate duplicates Z: 16 48.449 2.424 1.197 0.880 1.000 0.733 CB 1.703 16 residues pruned to eliminate duplicates Z: 10 21.583 2.382 0.953 0.478 0.889 0.667 CB 1.779 10 residues pruned to eliminate duplicates Z: 109 91.247 2.485 1.098 0.523 0.926 0.593 CB 1.778 109 residues pruned to eliminate duplicates Z: 115 79.890 2.506 1.129 0.490 0.877 0.579 CB 1.614 115 residues pruned to eliminate duplicates Z: 41 40.341 2.311 1.081 0.376 0.900 0.550 CB 1.682 41 residues pruned to eliminate duplicates Z: 23 36.692 2.501 1.151 0.393 0.909 0.636 CB 1.792 23 residues pruned to eliminate duplicates Z: 34 27.499 2.187 1.132 0.477 0.848 0.455 CB 1.239 34 residues pruned to eliminate duplicates Z: 16 35.539 2.365 1.009 0.870 1.000 0.867 CA 1.410 16 residues pruned to eliminate duplicates Z: 45 47.932 2.382 1.016 0.417 0.909 0.591 CB 1.806 45 residues pruned to eliminate duplicates Z: 108 96.545 2.543 1.188 0.501 0.925 0.589 CB 1.811 108 residues pruned to eliminate duplicates Z: 107 94.190 2.517 1.075 0.521 0.953 0.651 CB 1.800 107 residues pruned to eliminate duplicates Z: 60 53.493 2.431 1.136 0.397 0.898 0.542 CB 1.665 60 residues pruned to eliminate duplicates Z: 36 33.701 2.460 1.018 0.332 0.914 0.486 CB 1.510 36 residues pruned to eliminate duplicates Z: 14 22.965 2.032 0.869 0.734 0.923 0.692 CB 1.473 14 residues pruned to eliminate duplicates Z: 33 36.506 2.534 0.809 0.503 0.844 0.594 CB 1.664 33 residues pruned to eliminate duplicates Z: 48 42.611 2.341 0.971 0.384 0.894 0.574 CB 1.705 48 residues pruned to eliminate duplicates Z: 84 62.022 2.466 0.966 0.451 0.892 0.542 CB 1.655 84 residues pruned to eliminate duplicates Z: 31 40.711 2.492 1.080 0.491 0.900 0.567 CB 1.608 31 residues pruned to eliminate duplicates Z: 26 25.983 2.504 0.438 0.481 0.880 0.600 CB 1.672 26 residues pruned to eliminate duplicates Z: 24 48.338 2.562 0.589 0.921 1.000 0.957 CA 1.741 24 residues pruned to eliminate duplicates Z: 6 10.245 2.086 1.446 0.604 0.800 0.600 CB 1.017 Z: 10 10.775 1.877 0.253 0.753 0.889 0.444 CA 1.371 10 residues pruned to eliminate duplicates Z: 65 55.442 2.463 1.058 0.507 0.859 0.672 CB 1.579 65 residues pruned to eliminate duplicates Z: 67 80.980 2.526 1.114 0.592 0.955 0.636 CB 1.791 67 residues pruned to eliminate duplicates Z: 24 66.034 2.567 1.025 0.918 1.000 0.783 CA 1.867 24 residues pruned to eliminate duplicates Z: 6 6.022 1.575 0.571 0.645 0.800 0.800 CB 1.188 6 residues pruned to eliminate duplicates Z: 14 16.081 2.245 0.773 0.426 0.923 0.692 CB 1.312 14 residues pruned to eliminate duplicates Z: 31 28.863 2.248 0.697 0.527 0.867 0.567 CB 1.553 31 residues pruned to eliminate duplicates Z: 39 53.701 2.512 1.223 0.407 0.921 0.605 CB 1.868 39 residues pruned to eliminate duplicates Z: 17 28.513 2.484 0.929 0.434 0.812 0.438 CB 1.961 17 residues pruned to eliminate duplicates Z: 11 29.099 2.186 0.950 0.884 0.900 0.800 CB 1.734 11 residues pruned to eliminate duplicates Z: 24 62.754 2.523 1.112 0.906 0.957 0.739 CB 1.826 24 residues pruned to eliminate duplicates Z: 44 75.101 2.556 1.168 0.636 0.977 0.628 CB 1.862 44 residues pruned to eliminate duplicates Z: 58 54.426 2.450 1.225 0.471 0.842 0.509 CB 1.617 58 residues pruned to eliminate duplicates Z: 28 49.080 2.636 1.047 0.596 0.852 0.556 CB 1.875 28 residues pruned to eliminate duplicates Z: 51 51.058 2.435 1.148 0.380 0.900 0.560 CB 1.743 51 residues pruned to eliminate duplicates Z: 108 92.745 2.498 1.074 0.527 0.944 0.626 CB 1.785 108 residues pruned to eliminate duplicates Z: 21 18.720 2.054 0.954 0.418 0.850 0.500 CB 1.336 21 residues pruned to eliminate duplicates Z: 23 61.504 2.643 0.889 0.915 0.955 0.773 CA 1.945 23 residues pruned to eliminate duplicates Z: 69 88.835 2.583 1.091 0.602 0.941 0.691 CB 1.923 69 residues pruned to eliminate duplicates Z: 10 18.001 1.889 0.653 0.818 1.000 0.667 CA 1.457 10 residues pruned to eliminate duplicates Z: 41 48.129 2.436 1.098 0.383 0.950 0.550 CB 1.775 41 residues pruned to eliminate duplicates Z: 14 10.306 2.161 0.634 0.346 0.769 0.538 CB 1.244 14 residues pruned to eliminate duplicates Z: 61 95.651 2.592 1.155 0.642 1.000 0.817 CB 1.935 61 residues pruned to eliminate duplicates Z: 22 32.386 2.466 0.938 0.410 0.952 0.571 CB 1.707 22 residues pruned to eliminate duplicates Z: 11 31.586 2.205 0.957 0.844 1.000 1.000 CB 1.722 11 residues pruned to eliminate duplicates Z: 24 36.580 2.482 1.121 0.528 0.870 0.522 CB 1.621 24 residues pruned to eliminate duplicates Z: 10 14.984 1.895 0.513 0.720 1.000 0.444 CA 1.427 10 residues pruned to eliminate duplicates Z: 21 24.633 2.188 1.190 0.419 0.850 0.600 CB 1.471 21 residues pruned to eliminate duplicates Z: 108 94.237 2.493 1.116 0.530 0.953 0.692 CB 1.760 108 residues pruned to eliminate duplicates Z: 50 54.610 2.582 0.944 0.533 0.857 0.653 CB 1.756 50 residues pruned to eliminate duplicates Z: 9 11.111 1.867 0.357 0.759 0.875 0.500 CB 1.408 9 residues pruned to eliminate duplicates Z: 8 17.008 1.945 0.518 0.831 1.000 0.714 CB 1.635 8 residues pruned to eliminate duplicates Z: 29 24.274 2.202 0.966 0.366 0.786 0.500 CB 1.558 29 residues pruned to eliminate duplicates Z: 16 24.684 2.279 1.126 0.482 0.867 0.733 CB 1.546 16 residues pruned to eliminate duplicates Z: 48 50.870 2.490 1.068 0.562 0.872 0.617 CB 1.556 48 residues pruned to eliminate duplicates Z: 75 83.599 2.446 1.092 0.577 0.973 0.716 CB 1.812 75 residues pruned to eliminate duplicates Z: 8 15.569 2.309 0.976 0.606 0.714 0.714 CB 1.633 8 residues pruned to eliminate duplicates Z: 26 28.368 2.092 1.040 0.528 0.880 0.600 CB 1.470 26 residues pruned to eliminate duplicates Z: 43 82.574 2.616 1.190 0.673 0.952 0.762 CB 1.991 43 residues pruned to eliminate duplicates Z: 92 50.147 2.276 0.913 0.452 0.846 0.516 CB 1.499 92 residues pruned to eliminate duplicates Z: 32 32.537 2.278 1.098 0.413 0.871 0.677 CB 1.537 32 residues pruned to eliminate duplicates Z: 10 30.186 2.204 1.031 0.828 1.000 0.889 CA 1.693 10 residues pruned to eliminate duplicates Z: 76 37.454 2.174 0.743 0.410 0.880 0.520 CB 1.425 76 residues pruned to eliminate duplicates Z: 10 22.714 2.248 1.042 0.861 0.889 0.667 CB 1.364 10 residues pruned to eliminate duplicates Z: 56 42.955 2.326 0.864 0.474 0.927 0.636 CB 1.479 56 residues pruned to eliminate duplicates Z: 83 87.012 2.514 1.127 0.554 0.951 0.671 CB 1.793 83 residues pruned to eliminate duplicates Z: 9 13.245 1.861 0.487 0.834 0.875 0.500 CB 1.450 9 residues pruned to eliminate duplicates Z: 31 41.395 2.408 0.962 0.442 0.900 0.633 CB 1.887 31 residues pruned to eliminate duplicates Z: 27 31.858 2.203 0.935 0.619 0.885 0.615 CB 1.480 27 residues pruned to eliminate duplicates Z: 21 25.047 2.294 0.969 0.455 0.900 0.750 CB 1.442 21 residues pruned to eliminate duplicates Z: 77 71.374 2.439 1.092 0.468 0.961 0.671 CB 1.727 77 residues pruned to eliminate duplicates Z: 58 56.730 2.509 0.979 0.502 0.895 0.596 CB 1.688 58 residues pruned to eliminate duplicates Z: 82 84.398 2.509 1.045 0.580 0.951 0.741 CB 1.780 82 residues pruned to eliminate duplicates Z: 14 28.724 2.169 0.808 0.827 1.000 0.923 CB 1.531 14 residues pruned to eliminate duplicates Z: 57 53.610 2.339 1.064 0.431 0.929 0.661 CB 1.716 39 residues pruned to eliminate duplicates Z: 108 100.314 2.556 1.180 0.528 0.935 0.692 CB 1.812 108 residues pruned to eliminate duplicates Z: 91 84.064 2.491 1.057 0.547 0.922 0.644 CB 1.791 91 residues pruned to eliminate duplicates Z: 12 24.600 2.214 0.679 0.734 1.000 0.727 CA 1.617 12 residues pruned to eliminate duplicates Z: 54 52.195 2.399 1.038 0.376 0.943 0.566 CB 1.775 54 residues pruned to eliminate duplicates Z: 15 22.719 2.360 0.975 0.378 0.857 0.429 CB 1.731 15 residues pruned to eliminate duplicates Z: 6 4.174 1.585 0.010 0.643 0.800 0.600 CB 1.276 Z: 16 27.435 2.452 1.067 0.403 0.867 0.733 CB 1.786 16 residues pruned to eliminate duplicates Z: 66 77.479 2.540 0.994 0.569 0.985 0.677 CB 1.802 66 residues pruned to eliminate duplicates Z: 9 13.762 1.941 0.473 0.788 0.875 0.750 CA 1.509 9 residues pruned to eliminate duplicates Z: 90 89.067 2.515 1.105 0.508 0.944 0.697 CB 1.875 90 residues pruned to eliminate duplicates Z: 109 93.006 2.522 1.107 0.511 0.926 0.620 CB 1.800 109 residues pruned to eliminate duplicates Z: 9 18.273 2.322 0.890 0.557 0.875 0.750 CB 1.591 9 residues pruned to eliminate duplicates Z: 27 32.997 2.313 1.009 0.564 0.885 0.577 CB 1.480 27 residues pruned to eliminate duplicates Z: 19 54.526 2.709 1.326 0.708 0.944 0.556 CB 1.788 19 residues pruned to eliminate duplicates Z: 66 76.048 2.467 0.962 0.579 0.969 0.723 CB 1.863 66 residues pruned to eliminate duplicates Z: 9 20.580 2.283 0.860 0.566 1.000 0.625 CB 1.607 9 residues pruned to eliminate duplicates Z: 46 42.107 2.476 0.944 0.387 0.889 0.422 CB 1.653 46 residues pruned to eliminate duplicates Z: 35 44.359 2.398 1.163 0.557 0.912 0.529 CB 1.522 35 residues pruned to eliminate duplicates Z: 11 11.339 2.125 0.744 0.384 0.800 0.200 CB 1.368 11 residues pruned to eliminate duplicates Z: 16 36.588 2.502 1.442 0.424 0.933 0.667 CB 1.793 16 residues pruned to eliminate duplicates Z: 9 4.644 1.875 0.941 0.537 0.750 0.625 CB 0.580 Z: 25 43.308 2.630 1.145 0.582 0.875 0.625 CB 1.655 25 residues pruned to eliminate duplicates Z: 27 43.656 2.565 1.172 0.402 0.923 0.692 CB 1.847 27 residues pruned to eliminate duplicates Z: 40 45.962 2.377 1.156 0.409 0.923 0.462 CB 1.712 40 residues pruned to eliminate duplicates Z: 14 14.136 2.066 0.781 0.389 0.846 0.615 CB 1.415 14 residues pruned to eliminate duplicates Z: 19 18.077 2.146 0.932 0.323 0.778 0.389 CB 1.605 19 residues pruned to eliminate duplicates Z: 37 22.490 2.151 0.978 0.341 0.833 0.556 CB 1.257 37 residues pruned to eliminate duplicates Z: 32 40.290 2.590 0.651 0.526 0.903 0.710 CB 1.826 32 residues pruned to eliminate duplicates Z: 23 29.994 2.149 1.023 0.466 0.909 0.727 CB 1.676 23 residues pruned to eliminate duplicates Z: 19 16.100 2.155 0.856 0.363 0.833 0.556 CB 1.319 19 residues pruned to eliminate duplicates Z: 42 53.594 2.452 0.921 0.508 0.976 0.732 CB 1.808 42 residues pruned to eliminate duplicates Z: 36 43.814 2.465 1.271 0.452 0.914 0.571 CB 1.521 36 residues pruned to eliminate duplicates Z: 10 7.063 1.902 0.456 0.249 0.778 0.444 CB 1.458 10 residues pruned to eliminate duplicates Z: 67 77.778 2.542 0.927 0.596 0.985 0.667 CB 1.810 67 residues pruned to eliminate duplicates Z: 9 10.812 2.016 1.329 0.475 0.750 0.500 CB 1.113 9 residues pruned to eliminate duplicates Z: 11 7.249 2.057 0.332 0.358 0.700 0.500 CB 1.394 11 residues pruned to eliminate duplicates Z: 12 31.909 2.260 1.002 0.850 1.000 0.364 CB 1.576 12 residues pruned to eliminate duplicates Z: 6 3.240 1.814 0.766 0.507 0.800 0.800 CB 0.561 Z: 6 12.440 2.231 1.427 0.535 0.800 0.600 CB 1.241 Z: 51 44.773 2.375 1.072 0.413 0.900 0.480 CB 1.566 51 residues pruned to eliminate duplicates Z: 17 18.176 2.258 0.761 0.316 0.812 0.562 CB 1.724 17 residues pruned to eliminate duplicates Z: 43 79.849 2.641 1.224 0.658 0.929 0.762 CA 1.951 43 residues pruned to eliminate duplicates Z: 7 13.103 1.941 0.624 0.799 0.833 0.667 CA 1.568 Z: 9 10.746 2.020 0.907 0.294 1.000 0.500 CA 1.242 9 residues pruned to eliminate duplicates Z: 36 24.263 2.338 0.973 0.275 0.771 0.343 CB 1.487 36 residues pruned to eliminate duplicates Z: 20 23.837 2.346 0.864 0.422 0.895 0.526 CB 1.516 20 residues pruned to eliminate duplicates Z: 39 53.888 2.475 0.962 0.539 0.974 0.737 CB 1.779 39 residues pruned to eliminate duplicates Z: 15 39.098 2.454 0.895 0.850 1.000 0.786 CA 1.665 15 residues pruned to eliminate duplicates Z: 60 77.896 2.565 0.928 0.659 0.949 0.780 CB 1.863 67 residues pruned to eliminate duplicates Z: 50 36.837 2.276 0.958 0.425 0.898 0.490 CB 1.421 50 residues pruned to eliminate duplicates Z: 12 24.427 2.114 0.951 0.577 1.000 0.818 CA 1.658 12 residues pruned to eliminate duplicates Z: 19 27.103 2.447 1.053 0.485 0.833 0.667 CB 1.549 19 residues pruned to eliminate duplicates Z: 66 38.420 2.280 0.870 0.398 0.877 0.554 CB 1.419 66 residues pruned to eliminate duplicates Z: 23 28.133 2.337 0.849 0.610 0.818 0.545 CB 1.529 23 residues pruned to eliminate duplicates Z: 39 40.480 2.346 0.992 0.429 0.842 0.474 CB 1.798 39 residues pruned to eliminate duplicates Z: 38 35.618 2.240 0.918 0.505 0.919 0.514 CB 1.476 38 residues pruned to eliminate duplicates Z: 102 87.899 2.494 0.940 0.549 0.950 0.703 CB 1.814 102 residues pruned to eliminate duplicates Z: 62 45.910 2.411 1.132 0.389 0.852 0.525 CB 1.510 62 residues pruned to eliminate duplicates Z: 9 6.728 1.800 1.110 0.416 0.875 0.625 CB 0.781 5 residues pruned to eliminate duplicates Z: 17 25.645 2.328 1.138 0.426 0.875 0.625 CB 1.589 17 residues pruned to eliminate duplicates Z: 67 89.489 2.589 1.096 0.619 0.970 0.773 CB 1.870 67 residues pruned to eliminate duplicates Z: 8 21.007 2.482 0.894 0.823 0.714 0.429 CB 1.787 8 residues pruned to eliminate duplicates Z: 55 50.702 2.376 1.078 0.415 0.907 0.556 CB 1.683 55 residues pruned to eliminate duplicates Z: 13 23.058 2.440 0.540 0.453 1.000 0.750 CB 1.858 13 residues pruned to eliminate duplicates Z: 7 5.924 1.798 1.263 0.568 0.833 0.667 CB 0.668 Z: 108 89.628 2.475 1.172 0.504 0.907 0.664 CB 1.771 108 residues pruned to eliminate duplicates Z: 10 9.278 1.491 0.471 0.682 1.000 0.778 O 1.194 Z: 7 5.613 1.704 0.141 0.752 1.000 0.667 CA 0.942 7 residues pruned to eliminate duplicates Z: 52 53.331 2.449 1.070 0.393 0.941 0.529 CB 1.753 52 residues pruned to eliminate duplicates Z: 10 6.196 2.195 0.586 0.313 0.778 0.556 CB 0.938 10 residues pruned to eliminate duplicates Z: 56 76.070 2.572 0.873 0.659 0.982 0.745 CB 1.872 56 residues pruned to eliminate duplicates Z: 32 25.772 2.200 1.032 0.362 0.871 0.548 CB 1.379 32 residues pruned to eliminate duplicates Z: 61 33.674 2.236 0.927 0.329 0.883 0.533 CB 1.378 61 residues pruned to eliminate duplicates Z: 9 4.153 1.496 0.378 0.544 0.875 0.750 CB 0.780 Z: 67 62.422 2.452 1.058 0.438 0.924 0.561 CB 1.757 67 residues pruned to eliminate duplicates Z: 6 5.518 1.610 0.151 0.732 1.000 0.800 O 1.080 6 residues pruned to eliminate duplicates Z: 6 5.240 1.708 0.619 0.457 0.800 0.800 C 1.106 Z: 31 26.222 2.216 1.149 0.443 0.767 0.500 CB 1.390 31 residues pruned to eliminate duplicates Z: 40 52.429 2.489 1.087 0.568 0.974 0.564 CB 1.553 40 residues pruned to eliminate duplicates Z: 14 35.663 2.549 0.847 0.872 1.000 0.692 CB 1.532 14 residues pruned to eliminate duplicates Z: 31 54.659 2.642 1.068 0.584 0.900 0.700 CB 1.871 31 residues pruned to eliminate duplicates Z: 12 22.064 2.181 0.908 0.451 1.000 0.636 CB 1.682 12 residues pruned to eliminate duplicates Z: 60 88.363 2.563 1.126 0.639 0.966 0.627 CB 1.918 60 residues pruned to eliminate duplicates Z: 10 10.190 1.757 0.673 0.751 0.889 0.667 CB 1.038 10 residues pruned to eliminate duplicates Z: 41 87.703 2.673 1.295 0.676 0.975 0.675 CB 1.971 41 residues pruned to eliminate duplicates Z: 19 42.846 2.641 1.135 0.634 0.944 0.611 CB 1.673 19 residues pruned to eliminate duplicates 6 1.888 1.607 0.383 0.217 0.800 0.400 CB 0.662 ? Z: 68 98.409 2.544 1.178 0.637 1.000 0.776 CB 1.908 68 residues pruned to eliminate duplicates Z: 11 28.776 2.253 1.049 0.836 1.000 0.600 CB 1.476 11 residues pruned to eliminate duplicates Z: 38 36.400 2.461 1.094 0.431 0.838 0.514 CB 1.488 38 residues pruned to eliminate duplicates Z: 15 9.668 1.641 1.062 0.456 0.714 0.714 CB 1.118 15 residues pruned to eliminate duplicates Z: 7 4.786 1.874 0.358 0.293 0.833 0.500 CA 1.162 7 residues pruned to eliminate duplicates Z: 10 3.472 1.527 0.335 0.348 0.778 0.444 CA 0.860 Z: 106 97.197 2.506 1.157 0.534 0.952 0.648 CB 1.782 106 residues pruned to eliminate duplicates Z: 27 26.679 2.218 1.063 0.329 0.885 0.500 CB 1.558 27 residues pruned to eliminate duplicates Z: 6 3.359 1.602 0.434 0.288 0.800 0.400 C 1.037 Z: 42 75.091 2.579 1.241 0.642 0.927 0.707 CB 1.917 42 residues pruned to eliminate duplicates Z: 49 50.092 2.478 1.073 0.378 0.917 0.583 CB 1.749 49 residues pruned to eliminate duplicates Z: 13 17.712 2.092 0.938 0.477 0.833 0.583 CB 1.549 13 residues pruned to eliminate duplicates Z: 51 32.477 2.264 1.077 0.308 0.820 0.440 CB 1.474 51 residues pruned to eliminate duplicates Z: 59 58.229 2.407 0.969 0.535 0.931 0.638 CB 1.675 59 residues pruned to eliminate duplicates Z: 27 21.753 2.091 1.015 0.488 0.808 0.385 CB 1.269 27 residues pruned to eliminate duplicates Z: 9 8.435 1.792 0.721 0.530 0.750 0.375 CA 1.251 9 residues pruned to eliminate duplicates Z: 18 52.620 2.693 1.185 0.674 1.000 0.765 CB 1.848 18 residues pruned to eliminate duplicates Z: 26 35.239 2.398 1.086 0.510 0.880 0.560 CB 1.586 26 residues pruned to eliminate duplicates Z: 56 72.842 2.559 0.929 0.644 0.945 0.673 CB 1.840 56 residues pruned to eliminate duplicates Z: 11 19.101 2.531 0.516 0.531 0.900 0.900 CB 1.695 11 residues pruned to eliminate duplicates 7 1.942 1.491 0.566 0.247 0.667 0.167 CB 0.682 ? Z: 15 21.485 2.150 0.744 0.484 0.929 0.714 CB 1.676 15 residues pruned to eliminate duplicates Z: 41 45.369 2.385 0.997 0.612 0.925 0.625 CB 1.464 41 residues pruned to eliminate duplicates Z: 8 9.765 1.743 0.517 0.786 1.000 0.571 CB 1.085 8 residues pruned to eliminate duplicates Z: 151 100.986 2.518 1.072 0.511 0.900 0.667 CB 1.736 151 residues pruned to eliminate duplicates Z: 87 82.859 2.488 1.001 0.555 0.930 0.640 CB 1.830 87 residues pruned to eliminate duplicates Z: 35 53.330 2.563 1.062 0.650 0.941 0.794 CB 1.599 35 residues pruned to eliminate duplicates Z: 87 88.528 2.564 1.032 0.562 0.942 0.674 CB 1.832 87 residues pruned to eliminate duplicates Z: 54 44.067 2.351 0.979 0.409 0.868 0.585 CB 1.649 54 residues pruned to eliminate duplicates Z: 19 30.568 2.504 1.152 0.375 0.889 0.722 CB 1.719 19 residues pruned to eliminate duplicates Z: 12 14.953 2.067 0.973 0.373 0.818 0.727 CA 1.546 12 residues pruned to eliminate duplicates Z: 10 18.513 2.146 0.981 0.790 0.778 0.444 CB 1.446 10 residues pruned to eliminate duplicates Z: 37 39.131 2.316 1.026 0.384 0.889 0.556 CB 1.768 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 8.781 1.781 1.114 0.354 1.000 0.200 CB 1.222 6 residues pruned to eliminate duplicates Z: 110 99.790 2.542 1.141 0.505 0.945 0.606 CB 1.848 110 residues pruned to eliminate duplicates Z: 40 48.378 2.477 1.156 0.385 0.897 0.564 CB 1.826 40 residues pruned to eliminate duplicates Z: 40 52.681 2.499 1.203 0.391 0.923 0.564 CB 1.864 40 residues pruned to eliminate duplicates Z: 49 57.489 2.487 1.184 0.390 0.938 0.583 CB 1.831 49 residues pruned to eliminate duplicates Z: 108 93.179 2.548 1.097 0.501 0.916 0.617 CB 1.839 108 residues pruned to eliminate duplicates Z: 39 53.632 2.493 1.297 0.389 0.921 0.526 CB 1.855 39 residues pruned to eliminate duplicates Z: 38 53.022 2.517 1.129 0.435 0.919 0.514 CB 1.893 38 residues pruned to eliminate duplicates Z: 39 48.453 2.474 1.200 0.387 0.895 0.605 CB 1.819 39 residues pruned to eliminate duplicates Z: 39 54.098 2.514 1.185 0.396 0.921 0.500 CB 1.936 39 residues pruned to eliminate duplicates Z: 39 53.855 2.494 1.323 0.402 0.921 0.605 CB 1.814 39 residues pruned to eliminate duplicates Z: 30 38.640 2.463 1.083 0.372 0.897 0.586 CB 1.789 30 residues pruned to eliminate duplicates Z: 50 53.881 2.497 1.166 0.396 0.878 0.571 CB 1.810 50 residues pruned to eliminate duplicates Z: 108 97.268 2.552 1.180 0.521 0.907 0.626 CB 1.827 108 residues pruned to eliminate duplicates Z: 108 101.662 2.564 1.176 0.509 0.953 0.607 CB 1.831 108 residues pruned to eliminate duplicates Z: 23 38.985 2.488 1.247 0.358 0.909 0.591 CA 1.906 23 residues pruned to eliminate duplicates Z: 39 52.934 2.513 1.218 0.402 0.921 0.632 CB 1.855 39 residues pruned to eliminate duplicates Z: 109 99.542 2.547 1.157 0.512 0.935 0.648 CB 1.843 109 residues pruned to eliminate duplicates Z: 50 52.399 2.477 1.111 0.390 0.898 0.653 CB 1.791 50 residues pruned to eliminate duplicates Z: 109 96.388 2.518 1.110 0.505 0.926 0.676 CB 1.876 109 residues pruned to eliminate duplicates Z: 50 52.432 2.460 1.130 0.385 0.898 0.571 CB 1.798 50 residues pruned to eliminate duplicates Z: 38 50.631 2.514 1.256 0.399 0.892 0.676 CB 1.830 38 residues pruned to eliminate duplicates Z: 40 46.680 2.455 1.137 0.393 0.872 0.615 CB 1.830 40 residues pruned to eliminate duplicates Z: 108 96.324 2.537 1.082 0.513 0.944 0.626 CB 1.844 108 residues pruned to eliminate duplicates Z: 39 52.195 2.468 1.318 0.412 0.921 0.526 CB 1.762 39 residues pruned to eliminate duplicates Z: 39 55.554 2.481 1.279 0.434 0.947 0.632 CB 1.801 39 residues pruned to eliminate duplicates Z: 49 55.886 2.483 1.195 0.397 0.938 0.542 CB 1.759 49 residues pruned to eliminate duplicates Z: 39 52.999 2.496 1.268 0.413 0.895 0.632 CB 1.859 39 residues pruned to eliminate duplicates Z: 39 51.901 2.499 1.237 0.392 0.921 0.632 CB 1.833 39 residues pruned to eliminate duplicates Z: 24 26.209 2.259 0.850 0.357 0.913 0.565 CB 1.671 24 residues pruned to eliminate duplicates Z: 50 57.319 2.492 1.245 0.401 0.898 0.571 CB 1.809 50 residues pruned to eliminate duplicates Z: 39 51.925 2.499 1.290 0.403 0.895 0.632 CB 1.821 39 residues pruned to eliminate duplicates Z: 40 51.967 2.470 1.202 0.409 0.923 0.564 CB 1.823 40 residues pruned to eliminate duplicates Z: 15 17.446 2.064 1.089 0.397 0.857 0.357 CB 1.406 15 residues pruned to eliminate duplicates Z: 108 96.776 2.548 1.134 0.513 0.925 0.617 CB 1.837 108 residues pruned to eliminate duplicates Z: 24 31.702 2.289 0.958 0.438 0.913 0.609 CB 1.721 24 residues pruned to eliminate duplicates Z: 54 46.225 2.393 1.067 0.380 0.868 0.585 CB 1.680 54 residues pruned to eliminate duplicates Z: 109 94.757 2.536 1.139 0.504 0.907 0.583 CB 1.846 109 residues pruned to eliminate duplicates Z: 82 89.183 2.539 1.068 0.581 0.963 0.654 CB 1.814 82 residues pruned to eliminate duplicates Z: 12 17.600 2.322 0.870 0.394 0.818 0.545 CB 1.672 12 residues pruned to eliminate duplicates Z: 49 51.180 2.450 1.166 0.391 0.896 0.604 CB 1.744 49 residues pruned to eliminate duplicates Z: 76 83.433 2.516 1.125 0.574 0.933 0.667 CB 1.797 76 residues pruned to eliminate duplicates Z: 11 24.768 2.470 0.887 0.432 1.000 0.600 CB 1.803 11 residues pruned to eliminate duplicates Z: 85 84.473 2.505 1.101 0.547 0.929 0.679 CB 1.800 85 residues pruned to eliminate duplicates Z: 69 85.416 2.593 1.067 0.576 0.956 0.691 CB 1.879 69 residues pruned to eliminate duplicates Z: 68 91.800 2.626 1.133 0.599 0.955 0.672 CB 1.907 68 residues pruned to eliminate duplicates Z: 70 80.665 2.568 1.009 0.550 0.957 0.681 CB 1.873 70 residues pruned to eliminate duplicates Z: 71 80.958 2.562 1.079 0.562 0.943 0.614 CB 1.815 71 residues pruned to eliminate duplicates Z: 82 94.308 2.529 1.139 0.575 0.963 0.704 CB 1.870 82 residues pruned to eliminate duplicates Z: 101 101.907 2.568 1.176 0.531 0.950 0.640 CB 1.862 101 residues pruned to eliminate duplicates Z: 70 87.519 2.580 1.096 0.592 0.957 0.638 CB 1.866 70 residues pruned to eliminate duplicates Z: 71 83.883 2.567 1.107 0.576 0.943 0.614 CB 1.827 71 residues pruned to eliminate duplicates Z: 71 87.506 2.573 1.160 0.581 0.957 0.657 CB 1.820 71 residues pruned to eliminate duplicates Z: 108 97.566 2.553 1.116 0.516 0.935 0.654 CB 1.839 108 residues pruned to eliminate duplicates Z: 70 90.320 2.578 1.142 0.580 0.957 0.638 CB 1.907 70 residues pruned to eliminate duplicates Z: 70 89.615 2.582 1.140 0.589 0.971 0.681 CB 1.847 70 residues pruned to eliminate duplicates Z: 109 97.695 2.540 1.148 0.510 0.926 0.565 CB 1.843 109 residues pruned to eliminate duplicates Z: 108 105.358 2.560 1.207 0.521 0.944 0.626 CB 1.871 108 residues pruned to eliminate duplicates Z: 108 98.556 2.547 1.082 0.523 0.925 0.645 CB 1.898 108 residues pruned to eliminate duplicates Z: 108 105.715 2.568 1.198 0.532 0.953 0.626 CB 1.840 108 residues pruned to eliminate duplicates Z: 110 105.019 2.537 1.239 0.519 0.936 0.661 CB 1.856 110 residues pruned to eliminate duplicates Z: 69 94.929 2.599 1.274 0.602 0.941 0.632 CB 1.877 69 residues pruned to eliminate duplicates Z: 70 87.798 2.594 1.165 0.592 0.942 0.667 CB 1.829 70 residues pruned to eliminate duplicates Z: 108 99.905 2.548 1.181 0.508 0.953 0.626 CB 1.808 108 residues pruned to eliminate duplicates Z: 109 104.392 2.555 1.171 0.529 0.935 0.676 CB 1.881 109 residues pruned to eliminate duplicates Z: 70 87.913 2.591 1.164 0.578 0.942 0.623 CB 1.858 70 residues pruned to eliminate duplicates Z: 77 73.802 2.477 1.003 0.526 0.934 0.618 CB 1.780 77 residues pruned to eliminate duplicates Z: 107 100.590 2.572 1.108 0.521 0.953 0.670 CB 1.853 107 residues pruned to eliminate duplicates Z: 107 97.708 2.565 1.100 0.515 0.934 0.623 CB 1.858 107 residues pruned to eliminate duplicates Z: 108 94.021 2.552 1.088 0.506 0.916 0.654 CB 1.850 108 residues pruned to eliminate duplicates Z: 84 76.835 2.480 1.054 0.561 0.892 0.651 CB 1.751 84 residues pruned to eliminate duplicates Z: 70 87.706 2.587 1.102 0.599 0.957 0.725 CB 1.847 70 residues pruned to eliminate duplicates Z: 107 102.611 2.576 1.143 0.527 0.943 0.660 CB 1.864 109 residues pruned to eliminate duplicates Z: 25 58.601 2.505 1.073 0.807 0.958 0.708 CA 1.838 25 residues pruned to eliminate duplicates Z: 108 101.193 2.563 1.190 0.516 0.944 0.664 CB 1.817 108 residues pruned to eliminate duplicates Z: 70 86.939 2.562 1.105 0.585 0.942 0.710 CB 1.898 70 residues pruned to eliminate duplicates Z: 107 103.443 2.578 1.165 0.518 0.943 0.632 CB 1.875 107 residues pruned to eliminate duplicates Z: 70 86.836 2.575 1.136 0.579 0.957 0.696 CB 1.841 70 residues pruned to eliminate duplicates Z: 109 103.594 2.545 1.185 0.519 0.954 0.648 CB 1.845 109 residues pruned to eliminate duplicates Z: 108 103.999 2.560 1.184 0.537 0.935 0.598 CB 1.855 108 residues pruned to eliminate duplicates Z: 108 99.139 2.555 1.158 0.514 0.925 0.692 CB 1.852 108 residues pruned to eliminate duplicates Z: 62 88.739 2.613 1.114 0.612 0.984 0.721 CB 1.881 62 residues pruned to eliminate duplicates Z: 90 92.991 2.573 1.064 0.553 0.955 0.674 CB 1.846 90 residues pruned to eliminate duplicates Z: 109 100.066 2.549 1.157 0.516 0.935 0.676 CB 1.843 109 residues pruned to eliminate duplicates Z: 108 99.218 2.568 1.167 0.523 0.925 0.664 CB 1.821 108 residues pruned to eliminate duplicates Z: 109 98.868 2.564 1.109 0.520 0.935 0.648 CB 1.845 109 residues pruned to eliminate duplicates Z: 83 85.174 2.497 1.067 0.562 0.963 0.622 CB 1.781 83 residues pruned to eliminate duplicates Z: 109 101.874 2.560 1.139 0.522 0.963 0.648 CB 1.820 109 residues pruned to eliminate duplicates Z: 107 95.963 2.558 1.113 0.517 0.925 0.670 CB 1.834 107 residues pruned to eliminate duplicates Z: 81 83.251 2.519 1.059 0.558 0.938 0.625 CB 1.810 81 residues pruned to eliminate duplicates Z: 82 90.542 2.526 1.140 0.570 0.938 0.654 CB 1.854 82 residues pruned to eliminate duplicates Z: 78 86.082 2.475 1.129 0.570 0.948 0.610 CB 1.835 22 residues pruned to eliminate duplicates Z: 23 76.917 2.655 1.348 0.892 1.000 0.500 CA 1.889 23 residues pruned to eliminate duplicates Z: 110 94.477 2.513 1.110 0.509 0.945 0.642 CB 1.790 70 residues pruned to eliminate duplicates Z: 25 72.421 2.687 1.175 0.820 1.000 0.667 CA 1.916 25 residues pruned to eliminate duplicates Z: 109 104.912 2.547 1.257 0.509 0.944 0.611 CB 1.842 110 residues pruned to eliminate duplicates Z: 6 6.907 1.693 0.978 0.295 0.800 0.000 CA 1.450 6 residues pruned to eliminate duplicates Z: 108 103.448 2.562 1.159 0.524 0.935 0.673 CB 1.890 109 residues pruned to eliminate duplicates Z: 7 4.272 1.917 0.665 0.359 0.667 0.333 CB 0.954 7 residues pruned to eliminate duplicates Z: 109 101.262 2.552 1.176 0.506 0.944 0.667 CB 1.847 108 residues pruned to eliminate duplicates Z: 17 33.213 2.412 0.655 0.863 0.938 0.750 CB 1.627 17 residues pruned to eliminate duplicates Z: 48 51.200 2.506 0.955 0.564 0.894 0.681 CB 1.604 48 residues pruned to eliminate duplicates Z: 51 48.949 2.482 0.925 0.527 0.900 0.660 CB 1.567 51 residues pruned to eliminate duplicates Z: 25 48.895 2.669 1.204 0.593 0.917 0.708 CB 1.694 25 residues pruned to eliminate duplicates Z: 156 109.718 2.521 1.124 0.517 0.923 0.613 CB 1.754 156 residues pruned to eliminate duplicates Z: 50 53.196 2.491 1.046 0.558 0.857 0.653 CB 1.644 50 residues pruned to eliminate duplicates Z: 50 54.627 2.507 1.015 0.530 0.918 0.612 CB 1.634 50 residues pruned to eliminate duplicates Z: 74 53.213 2.421 1.036 0.426 0.836 0.479 CB 1.633 74 residues pruned to eliminate duplicates Z: 75 57.134 2.444 1.023 0.489 0.892 0.568 CB 1.524 75 residues pruned to eliminate duplicates Z: 41 53.520 2.536 1.042 0.577 0.925 0.575 CB 1.641 41 residues pruned to eliminate duplicates Z: 78 56.432 2.419 0.957 0.471 0.896 0.571 CB 1.562 78 residues pruned to eliminate duplicates Z: 26 56.437 2.682 1.185 0.636 0.960 0.640 CB 1.765 26 residues pruned to eliminate duplicates Z: 102 55.100 2.328 0.922 0.475 0.851 0.554 CB 1.476 102 residues pruned to eliminate duplicates Z: 66 51.286 2.411 1.005 0.506 0.862 0.600 CB 1.519 66 residues pruned to eliminate duplicates Z: 48 56.582 2.518 1.132 0.565 0.872 0.660 CB 1.654 48 residues pruned to eliminate duplicates Z: 26 52.913 2.682 1.209 0.633 0.920 0.720 CB 1.713 26 residues pruned to eliminate duplicates Z: 42 31.189 2.317 0.772 0.422 0.878 0.659 CB 1.465 42 residues pruned to eliminate duplicates Z: 51 48.948 2.428 0.991 0.518 0.880 0.620 CB 1.598 51 residues pruned to eliminate duplicates Z: 26 49.785 2.690 1.104 0.620 0.920 0.640 CB 1.707 26 residues pruned to eliminate duplicates Z: 65 63.613 2.490 1.136 0.518 0.891 0.641 CB 1.649 65 residues pruned to eliminate duplicates Z: 48 48.572 2.465 1.045 0.537 0.872 0.638 CB 1.554 48 residues pruned to eliminate duplicates Z: 43 49.192 2.454 1.057 0.542 0.881 0.667 CB 1.639 43 residues pruned to eliminate duplicates Z: 61 40.891 2.276 0.937 0.405 0.867 0.550 CB 1.526 61 residues pruned to eliminate duplicates Z: 118 94.020 2.523 1.018 0.549 0.923 0.615 CB 1.762 118 residues pruned to eliminate duplicates Z: 55 44.206 2.428 0.978 0.504 0.889 0.593 CB 1.403 55 residues pruned to eliminate duplicates Z: 52 42.439 2.335 1.030 0.435 0.863 0.588 CB 1.554 52 residues pruned to eliminate duplicates Z: 44 50.738 2.500 1.146 0.518 0.884 0.605 CB 1.603 44 residues pruned to eliminate duplicates Z: 79 54.069 2.445 0.998 0.450 0.859 0.551 CB 1.535 79 residues pruned to eliminate duplicates Z: 157 112.047 2.538 1.156 0.517 0.929 0.628 CB 1.734 157 residues pruned to eliminate duplicates Z: 49 52.894 2.508 1.037 0.552 0.875 0.625 CB 1.623 49 residues pruned to eliminate duplicates Z: 73 48.868 2.378 0.891 0.476 0.875 0.583 CB 1.500 73 residues pruned to eliminate duplicates Z: 63 55.227 2.445 1.016 0.499 0.871 0.597 CB 1.635 63 residues pruned to eliminate duplicates Z: 51 50.754 2.452 1.078 0.545 0.860 0.680 CB 1.568 51 residues pruned to eliminate duplicates Z: 221 114.378 2.466 1.108 0.493 0.895 0.573 CB 1.668 221 residues pruned to eliminate duplicates Z: 50 49.810 2.462 0.951 0.523 0.878 0.653 CB 1.650 50 residues pruned to eliminate duplicates Z: 49 53.177 2.515 0.997 0.534 0.917 0.604 CB 1.612 49 residues pruned to eliminate duplicates Z: 51 48.275 2.431 0.888 0.528 0.880 0.580 CB 1.644 51 residues pruned to eliminate duplicates Z: 33 31.503 2.317 0.818 0.509 0.906 0.656 CB 1.445 33 residues pruned to eliminate duplicates Z: 50 46.061 2.441 0.899 0.534 0.918 0.531 CB 1.495 50 residues pruned to eliminate duplicates Z: 50 42.208 2.340 0.944 0.494 0.918 0.551 CB 1.453 50 residues pruned to eliminate duplicates Z: 84 53.826 2.377 0.914 0.452 0.892 0.602 CB 1.531 84 residues pruned to eliminate duplicates Z: 61 47.138 2.368 1.052 0.497 0.850 0.567 CB 1.478 61 residues pruned to eliminate duplicates Z: 72 58.008 2.404 1.045 0.499 0.944 0.577 CB 1.485 72 residues pruned to eliminate duplicates Z: 69 54.310 2.445 1.055 0.488 0.853 0.588 CB 1.555 69 residues pruned to eliminate duplicates Z: 77 59.860 2.430 1.117 0.481 0.882 0.579 CB 1.544 77 residues pruned to eliminate duplicates Z: 54 46.755 2.443 0.991 0.513 0.868 0.585 CB 1.502 54 residues pruned to eliminate duplicates Z: 67 35.135 2.224 0.963 0.383 0.818 0.470 CB 1.372 67 residues pruned to eliminate duplicates Z: 12 16.738 2.305 0.849 0.337 0.909 0.727 CB 1.557 12 residues pruned to eliminate duplicates Z: 29 24.581 2.267 0.844 0.332 0.857 0.464 CB 1.558 29 residues pruned to eliminate duplicates Z: 61 50.762 2.428 1.078 0.481 0.850 0.533 CB 1.557 61 residues pruned to eliminate duplicates Z: 145 100.343 2.486 1.089 0.530 0.924 0.611 CB 1.693 145 residues pruned to eliminate duplicates Z: 23 20.877 2.166 0.975 0.347 0.864 0.545 CB 1.423 23 residues pruned to eliminate duplicates Z: 27 20.344 2.219 0.807 0.329 0.808 0.500 CB 1.485 27 residues pruned to eliminate duplicates Z: 28 23.239 2.293 0.856 0.380 0.815 0.519 CB 1.465 28 residues pruned to eliminate duplicates Z: 22 25.218 2.302 1.049 0.347 0.857 0.571 CB 1.608 22 residues pruned to eliminate duplicates Z: 52 35.579 2.249 1.019 0.397 0.843 0.471 CB 1.451 52 residues pruned to eliminate duplicates Z: 22 27.575 2.306 1.126 0.352 0.905 0.619 CB 1.592 22 residues pruned to eliminate duplicates Z: 30 24.284 2.244 0.860 0.340 0.862 0.552 CB 1.493 30 residues pruned to eliminate duplicates Z: 52 37.179 2.230 0.972 0.430 0.882 0.549 CB 1.443 52 residues pruned to eliminate duplicates Z: 21 20.546 2.277 1.039 0.344 0.850 0.550 CB 1.380 21 residues pruned to eliminate duplicates Z: 96 50.595 2.288 0.896 0.427 0.874 0.505 CB 1.478 96 residues pruned to eliminate duplicates Z: 79 51.207 2.366 1.061 0.460 0.859 0.564 CB 1.442 79 residues pruned to eliminate duplicates Z: 11 18.999 2.392 1.129 0.324 0.800 0.400 CB 1.789 11 residues pruned to eliminate duplicates Z: 28 23.402 2.282 0.845 0.386 0.852 0.481 CB 1.418 28 residues pruned to eliminate duplicates Z: 29 22.721 2.267 0.950 0.318 0.857 0.500 CB 1.385 29 residues pruned to eliminate duplicates Z: 51 33.801 2.300 0.960 0.411 0.820 0.500 CB 1.419 51 residues pruned to eliminate duplicates Z: 52 39.207 2.251 1.076 0.423 0.882 0.392 CB 1.443 52 residues pruned to eliminate duplicates Z: 16 11.774 2.253 0.794 0.300 0.733 0.400 CB 1.282 16 residues pruned to eliminate duplicates Z: 63 40.486 2.270 1.038 0.404 0.855 0.452 CB 1.439 63 residues pruned to eliminate duplicates Z: 27 24.856 2.316 0.978 0.331 0.846 0.538 CB 1.514 27 residues pruned to eliminate duplicates Z: 50 39.236 2.263 0.988 0.443 0.878 0.388 CB 1.505 50 residues pruned to eliminate duplicates Z: 65 39.071 2.203 1.008 0.402 0.906 0.547 CB 1.350 65 residues pruned to eliminate duplicates Z: 17 17.264 2.134 1.020 0.337 0.875 0.375 CB 1.367 17 residues pruned to eliminate duplicates Z: 64 38.767 2.261 1.016 0.385 0.841 0.508 CB 1.439 64 residues pruned to eliminate duplicates Z: 65 40.568 2.239 0.998 0.393 0.891 0.500 CB 1.426 65 residues pruned to eliminate duplicates Z: 180 102.527 2.459 1.063 0.517 0.905 0.581 CB 1.641 180 residues pruned to eliminate duplicates Z: 37 33.415 2.222 1.062 0.509 0.861 0.472 CB 1.399 37 residues pruned to eliminate duplicates Z: 40 32.024 2.149 1.006 0.452 0.846 0.436 CB 1.477 40 residues pruned to eliminate duplicates Z: 97 61.841 2.348 1.042 0.494 0.906 0.625 CB 1.462 97 residues pruned to eliminate duplicates Z: 37 34.263 2.235 1.070 0.490 0.889 0.417 CB 1.402 37 residues pruned to eliminate duplicates Z: 37 32.817 2.216 1.050 0.477 0.889 0.500 CB 1.386 37 residues pruned to eliminate duplicates Z: 25 23.912 2.086 0.993 0.494 0.917 0.583 CB 1.288 25 residues pruned to eliminate duplicates Z: 52 38.979 2.262 1.059 0.436 0.882 0.569 CB 1.419 52 residues pruned to eliminate duplicates Z: 36 39.025 2.257 1.141 0.510 0.914 0.486 CB 1.478 36 residues pruned to eliminate duplicates Z: 45 32.451 2.199 0.993 0.454 0.864 0.545 CB 1.355 45 residues pruned to eliminate duplicates Z: 65 39.886 2.222 1.011 0.411 0.891 0.500 CB 1.375 65 residues pruned to eliminate duplicates Z: 50 36.525 2.262 1.079 0.418 0.878 0.429 CB 1.378 50 residues pruned to eliminate duplicates Z: 37 35.519 2.240 1.137 0.475 0.889 0.500 CB 1.426 37 residues pruned to eliminate duplicates Z: 40 30.505 2.133 1.057 0.453 0.846 0.436 CB 1.381 40 residues pruned to eliminate duplicates Z: 37 35.677 2.200 1.024 0.524 0.917 0.556 CB 1.422 37 residues pruned to eliminate duplicates Z: 27 31.308 2.235 1.004 0.552 0.885 0.423 CB 1.473 27 residues pruned to eliminate duplicates Z: 29 23.054 2.006 0.960 0.507 0.857 0.429 CB 1.284 29 residues pruned to eliminate duplicates Z: 27 34.359 2.248 1.092 0.542 0.923 0.577 CB 1.490 27 residues pruned to eliminate duplicates Z: 14 26.622 2.092 1.113 0.667 1.000 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 20 24.599 2.238 0.943 0.573 0.842 0.421 CB 1.436 20 residues pruned to eliminate duplicates Z: 36 39.446 2.271 1.179 0.485 0.914 0.514 CB 1.496 36 residues pruned to eliminate duplicates Z: 38 36.045 2.213 1.050 0.496 0.919 0.568 CB 1.427 38 residues pruned to eliminate duplicates Z: 52 39.583 2.270 1.116 0.429 0.882 0.471 CB 1.408 52 residues pruned to eliminate duplicates Z: 35 29.715 2.134 0.924 0.442 0.882 0.471 CB 1.495 35 residues pruned to eliminate duplicates Z: 36 39.501 2.252 1.101 0.498 0.971 0.571 CB 1.456 36 residues pruned to eliminate duplicates Z: 36 36.702 2.244 1.048 0.516 0.914 0.514 CB 1.453 36 residues pruned to eliminate duplicates Z: 39 28.875 2.124 0.966 0.458 0.842 0.474 CB 1.390 39 residues pruned to eliminate duplicates Z: 64 40.838 2.278 0.981 0.412 0.857 0.587 CB 1.458 64 residues pruned to eliminate duplicates Z: 54 37.815 2.271 1.013 0.415 0.887 0.547 CB 1.400 54 residues pruned to eliminate duplicates Z: 112 66.968 2.384 1.064 0.473 0.883 0.622 CB 1.503 112 residues pruned to eliminate duplicates Z: 53 38.087 2.285 0.960 0.429 0.885 0.577 CB 1.435 53 residues pruned to eliminate duplicates Z: 30 31.359 2.118 0.929 0.538 0.897 0.586 CB 1.531 30 residues pruned to eliminate duplicates Z: 14 23.986 2.206 0.966 0.464 1.000 0.692 CB 1.592 14 residues pruned to eliminate duplicates Z: 36 38.826 2.261 1.044 0.530 0.914 0.543 CB 1.508 36 residues pruned to eliminate duplicates Z: 49 51.703 2.395 1.206 0.440 0.896 0.583 CB 1.677 43 residues pruned to eliminate duplicates Z: 6 2.346 1.384 0.793 0.247 0.800 0.600 CB 0.708 5 residues pruned to eliminate duplicates Z: 6 7.494 1.809 1.006 0.363 0.800 0.600 CA 1.339 6 residues pruned to eliminate duplicates Z: 109 90.851 2.497 1.051 0.529 0.926 0.676 CB 1.792 109 residues pruned to eliminate duplicates Z: 50 47.983 2.402 1.107 0.364 0.918 0.592 CB 1.706 50 residues pruned to eliminate duplicates Z: 108 95.231 2.517 1.076 0.517 0.953 0.654 CB 1.817 108 residues pruned to eliminate duplicates Z: 109 92.547 2.504 1.079 0.514 0.935 0.648 CB 1.804 109 residues pruned to eliminate duplicates Z: 109 98.292 2.505 1.177 0.514 0.954 0.593 CB 1.793 109 residues pruned to eliminate duplicates Z: 50 51.703 2.382 1.234 0.390 0.898 0.571 CB 1.737 50 residues pruned to eliminate duplicates Z: 41 43.628 2.377 1.089 0.393 0.900 0.525 CB 1.728 41 residues pruned to eliminate duplicates Z: 50 48.694 2.387 1.128 0.404 0.898 0.653 CB 1.687 50 residues pruned to eliminate duplicates Z: 38 47.894 2.409 1.172 0.430 0.919 0.622 CB 1.761 38 residues pruned to eliminate duplicates Z: 29 35.244 2.457 0.985 0.371 0.929 0.571 CB 1.689 29 residues pruned to eliminate duplicates Z: 49 47.333 2.400 1.055 0.381 0.917 0.604 CB 1.716 49 residues pruned to eliminate duplicates Z: 50 53.131 2.414 1.180 0.395 0.939 0.510 CB 1.716 50 residues pruned to eliminate duplicates Z: 109 85.992 2.513 1.008 0.504 0.907 0.639 CB 1.800 119 residues pruned to eliminate duplicates Z: 62 42.531 2.264 0.882 0.361 0.885 0.557 CB 1.678 30 residues pruned to eliminate duplicates Z: 6 4.124 1.872 0.660 0.289 0.600 0.600 N 1.254 Z: 7 9.947 1.883 1.187 0.351 0.833 0.333 CA 1.391 7 residues pruned to eliminate duplicates Z: 39 39.947 2.304 1.031 0.344 0.921 0.447 CB 1.782 45 residues pruned to eliminate duplicates Z: 165 103.782 2.492 1.037 0.494 0.902 0.598 CB 1.780 165 residues pruned to eliminate duplicates Z: 108 92.781 2.500 1.083 0.533 0.925 0.692 CB 1.803 108 residues pruned to eliminate duplicates Z: 49 52.171 2.400 1.194 0.403 0.917 0.562 CB 1.727 49 residues pruned to eliminate duplicates Z: 110 93.049 2.501 1.071 0.516 0.936 0.642 CB 1.810 110 residues pruned to eliminate duplicates Z: 109 91.254 2.494 1.049 0.517 0.926 0.713 CB 1.824 109 residues pruned to eliminate duplicates Z: 83 90.444 2.497 1.087 0.582 0.963 0.744 CB 1.838 83 residues pruned to eliminate duplicates Z: 17 21.056 2.003 1.072 0.399 0.938 0.438 CB 1.505 17 residues pruned to eliminate duplicates Z: 109 96.995 2.497 1.095 0.538 0.954 0.657 CB 1.803 109 residues pruned to eliminate duplicates Z: 41 45.541 2.397 1.134 0.389 0.925 0.575 CB 1.712 41 residues pruned to eliminate duplicates Z: 50 44.614 2.383 1.057 0.375 0.878 0.592 CB 1.692 50 residues pruned to eliminate duplicates Z: 23 28.619 2.171 1.067 0.423 0.909 0.591 CB 1.621 23 residues pruned to eliminate duplicates Z: 13 22.909 2.139 1.262 0.502 0.917 0.500 CB 1.488 13 residues pruned to eliminate duplicates Z: 39 32.263 2.127 0.968 0.420 0.895 0.579 CB 1.519 39 residues pruned to eliminate duplicates Z: 100 94.772 2.511 1.149 0.534 0.939 0.677 CB 1.817 100 residues pruned to eliminate duplicates Z: 109 91.529 2.507 1.061 0.511 0.944 0.667 CB 1.785 109 residues pruned to eliminate duplicates Z: 109 90.878 2.501 1.088 0.511 0.935 0.639 CB 1.771 109 residues pruned to eliminate duplicates Z: 110 91.473 2.464 1.061 0.528 0.936 0.725 CB 1.793 110 residues pruned to eliminate duplicates Z: 108 91.874 2.503 1.012 0.525 0.953 0.701 CB 1.805 108 residues pruned to eliminate duplicates Z: 70 74.500 2.517 1.008 0.582 0.899 0.652 CB 1.826 70 residues pruned to eliminate duplicates Z: 110 89.093 2.483 0.974 0.518 0.954 0.688 CB 1.792 110 residues pruned to eliminate duplicates Z: 81 75.019 2.498 0.937 0.559 0.925 0.663 CB 1.770 81 residues pruned to eliminate duplicates Z: 109 91.017 2.504 1.076 0.527 0.917 0.667 CB 1.789 109 residues pruned to eliminate duplicates Z: 66 92.319 2.596 1.179 0.614 0.985 0.677 CB 1.847 66 residues pruned to eliminate duplicates Z: 69 87.532 2.551 1.134 0.600 0.956 0.735 CB 1.854 69 residues pruned to eliminate duplicates Z: 107 91.800 2.513 1.102 0.509 0.934 0.670 CB 1.790 107 residues pruned to eliminate duplicates Z: 70 82.783 2.533 1.111 0.598 0.957 0.696 CB 1.775 70 residues pruned to eliminate duplicates Z: 102 88.180 2.487 1.021 0.524 0.941 0.693 CB 1.813 102 residues pruned to eliminate duplicates Z: 70 79.607 2.563 1.090 0.575 0.928 0.638 CB 1.795 70 residues pruned to eliminate duplicates Z: 69 86.713 2.567 1.129 0.598 0.971 0.676 CB 1.806 69 residues pruned to eliminate duplicates Z: 82 86.359 2.509 1.107 0.557 0.951 0.605 CB 1.806 82 residues pruned to eliminate duplicates Z: 107 90.457 2.514 1.045 0.497 0.953 0.698 CB 1.798 107 residues pruned to eliminate duplicates Z: 136 99.878 2.545 1.037 0.523 0.911 0.674 CB 1.779 136 residues pruned to eliminate duplicates Z: 89 79.636 2.482 1.017 0.551 0.920 0.705 CB 1.752 89 residues pruned to eliminate duplicates Z: 70 79.879 2.542 1.025 0.572 0.957 0.652 CB 1.823 70 residues pruned to eliminate duplicates Z: 70 79.228 2.551 1.046 0.576 0.942 0.710 CB 1.803 70 residues pruned to eliminate duplicates Z: 111 93.766 2.480 1.129 0.503 0.945 0.636 CB 1.787 111 residues pruned to eliminate duplicates Z: 70 87.710 2.555 1.112 0.591 0.971 0.696 CB 1.846 74 residues pruned to eliminate duplicates Z: 12 17.084 1.901 0.900 0.577 0.909 0.636 CB 1.457 12 residues pruned to eliminate duplicates Z: 82 79.979 2.477 1.018 0.549 0.938 0.654 CB 1.807 82 residues pruned to eliminate duplicates Z: 107 91.519 2.524 1.060 0.520 0.934 0.689 CB 1.794 107 residues pruned to eliminate duplicates Z: 109 94.409 2.503 1.086 0.514 0.972 0.667 CB 1.765 109 residues pruned to eliminate duplicates Z: 67 83.957 2.576 1.068 0.586 0.985 0.667 CB 1.814 67 residues pruned to eliminate duplicates Z: 109 93.173 2.504 1.095 0.511 0.954 0.556 CB 1.772 109 residues pruned to eliminate duplicates Z: 109 94.336 2.504 1.115 0.511 0.954 0.657 CB 1.777 109 residues pruned to eliminate duplicates Z: 158 101.510 2.525 1.012 0.508 0.917 0.637 CB 1.724 158 residues pruned to eliminate duplicates Z: 108 91.914 2.508 1.068 0.508 0.935 0.682 CB 1.819 108 residues pruned to eliminate duplicates Z: 148 100.989 2.515 1.063 0.504 0.912 0.673 CB 1.754 148 residues pruned to eliminate duplicates Z: 107 87.266 2.494 1.042 0.509 0.934 0.604 CB 1.766 107 residues pruned to eliminate duplicates Z: 107 92.308 2.528 1.020 0.522 0.962 0.660 CB 1.786 107 residues pruned to eliminate duplicates Z: 70 83.178 2.543 1.054 0.586 0.957 0.667 CB 1.846 70 residues pruned to eliminate duplicates Z: 109 89.847 2.507 1.033 0.510 0.944 0.667 CB 1.779 109 residues pruned to eliminate duplicates Z: 109 90.163 2.494 1.124 0.496 0.926 0.667 CB 1.776 109 residues pruned to eliminate duplicates Z: 70 83.779 2.551 1.049 0.581 0.957 0.754 CB 1.866 70 residues pruned to eliminate duplicates Z: 83 84.180 2.479 1.040 0.555 0.963 0.683 CB 1.808 83 residues pruned to eliminate duplicates Z: 107 91.542 2.530 1.031 0.501 0.962 0.651 CB 1.796 107 residues pruned to eliminate duplicates Z: 70 87.163 2.570 1.091 0.587 0.986 0.725 CB 1.822 70 residues pruned to eliminate duplicates Z: 105 93.539 2.516 1.154 0.522 0.933 0.692 CB 1.776 105 residues pruned to eliminate duplicates Z: 106 95.088 2.529 1.072 0.530 0.962 0.667 CB 1.788 106 residues pruned to eliminate duplicates Z: 70 76.083 2.506 0.998 0.572 0.942 0.667 CB 1.811 70 residues pruned to eliminate duplicates Z: 105 94.256 2.529 1.138 0.518 0.942 0.712 CB 1.783 105 residues pruned to eliminate duplicates Z: 69 84.566 2.575 1.074 0.602 0.941 0.735 CB 1.851 69 residues pruned to eliminate duplicates Z: 109 90.287 2.512 1.075 0.503 0.944 0.620 CB 1.760 109 residues pruned to eliminate duplicates Z: 108 91.244 2.524 1.080 0.508 0.935 0.636 CB 1.782 108 residues pruned to eliminate duplicates Z: 110 89.542 2.494 1.032 0.500 0.945 0.624 CB 1.790 70 residues pruned to eliminate duplicates Z: 24 72.440 2.588 1.170 0.930 1.000 0.783 CA 1.881 24 residues pruned to eliminate duplicates Z: 82 84.723 2.484 1.119 0.558 0.963 0.630 CB 1.754 82 residues pruned to eliminate duplicates Z: 82 84.134 2.500 1.201 0.558 0.926 0.642 CB 1.734 82 residues pruned to eliminate duplicates Z: 109 90.669 2.501 1.098 0.498 0.935 0.639 CB 1.781 110 residues pruned to eliminate duplicates Z: 23 63.348 2.665 0.913 0.927 0.955 0.818 CB 1.946 23 residues pruned to eliminate duplicates Z: 98 92.464 2.513 1.063 0.544 0.948 0.691 CB 1.828 98 residues pruned to eliminate duplicates Z: 109 87.965 2.500 1.004 0.500 0.954 0.694 CB 1.771 109 residues pruned to eliminate duplicates Z: 109 93.207 2.515 1.099 0.510 0.954 0.657 CB 1.763 109 residues pruned to eliminate duplicates Z: 109 92.414 2.511 1.062 0.503 0.963 0.667 CB 1.778 109 residues pruned to eliminate duplicates Z: 109 88.023 2.497 1.103 0.504 0.926 0.574 CB 1.735 109 residues pruned to eliminate duplicates Z: 105 94.680 2.484 1.105 0.524 0.971 0.692 CB 1.786 105 residues pruned to eliminate duplicates Z: 70 85.555 2.531 1.125 0.594 0.957 0.725 CB 1.829 70 residues pruned to eliminate duplicates Z: 135 101.571 2.548 1.068 0.516 0.933 0.642 CB 1.757 135 residues pruned to eliminate duplicates Z: 71 86.442 2.543 1.110 0.575 0.986 0.700 CB 1.817 71 residues pruned to eliminate duplicates Z: 109 89.281 2.504 1.114 0.495 0.935 0.639 CB 1.743 109 residues pruned to eliminate duplicates Z: 67 87.823 2.577 1.098 0.603 0.985 0.697 CB 1.841 67 residues pruned to eliminate duplicates Z: 69 77.340 2.540 1.010 0.575 0.941 0.676 CB 1.815 69 residues pruned to eliminate duplicates Z: 59 75.329 2.553 1.027 0.616 0.931 0.672 CB 1.840 59 residues pruned to eliminate duplicates Z: 135 105.432 2.558 1.087 0.519 0.940 0.634 CB 1.780 135 residues pruned to eliminate duplicates Z: 43 55.204 2.675 0.854 0.542 0.905 0.667 CB 1.821 43 residues pruned to eliminate duplicates Z: 135 104.808 2.560 1.091 0.524 0.933 0.657 CB 1.770 135 residues pruned to eliminate duplicates Z: 29 47.913 2.673 1.066 0.520 0.893 0.607 CB 1.800 29 residues pruned to eliminate duplicates Z: 53 61.030 2.638 0.990 0.504 0.904 0.635 CB 1.777 53 residues pruned to eliminate duplicates Z: 41 66.093 2.682 1.099 0.578 0.925 0.675 CB 1.862 41 residues pruned to eliminate duplicates Z: 152 111.161 2.551 1.107 0.495 0.934 0.636 CB 1.812 152 residues pruned to eliminate duplicates Z: 82 64.273 2.574 0.983 0.433 0.864 0.617 CB 1.736 82 residues pruned to eliminate duplicates Z: 83 70.188 2.562 1.081 0.456 0.890 0.585 CB 1.708 83 residues pruned to eliminate duplicates Z: 54 53.861 2.533 1.019 0.437 0.887 0.604 CB 1.741 54 residues pruned to eliminate duplicates Z: 135 104.518 2.556 1.024 0.518 0.948 0.634 CB 1.809 135 residues pruned to eliminate duplicates Z: 79 68.217 2.556 1.018 0.456 0.910 0.603 CB 1.721 79 residues pruned to eliminate duplicates Z: 94 63.075 2.382 1.030 0.401 0.903 0.548 CB 1.662 94 residues pruned to eliminate duplicates Z: 115 79.418 2.549 1.102 0.467 0.877 0.561 CB 1.637 115 residues pruned to eliminate duplicates Z: 144 99.128 2.558 1.015 0.509 0.902 0.622 CB 1.767 144 residues pruned to eliminate duplicates Z: 64 65.663 2.597 1.072 0.485 0.905 0.667 CB 1.724 64 residues pruned to eliminate duplicates Z: 51 60.940 2.650 0.991 0.533 0.900 0.640 CB 1.756 51 residues pruned to eliminate duplicates Z: 25 53.653 2.772 1.209 0.595 0.917 0.708 CB 1.781 25 residues pruned to eliminate duplicates Z: 43 60.389 2.674 1.027 0.545 0.881 0.643 CB 1.868 43 residues pruned to eliminate duplicates Z: 44 56.838 2.681 0.922 0.533 0.884 0.674 CB 1.842 44 residues pruned to eliminate duplicates Z: 112 96.939 2.589 0.966 0.562 0.937 0.667 CB 1.816 112 residues pruned to eliminate duplicates Z: 112 82.382 2.564 1.079 0.484 0.910 0.586 CB 1.639 112 residues pruned to eliminate duplicates Z: 47 67.772 2.734 0.933 0.558 0.957 0.652 CB 1.868 47 residues pruned to eliminate duplicates Z: 27 56.066 2.793 1.121 0.624 0.885 0.615 CB 1.868 27 residues pruned to eliminate duplicates Z: 35 38.700 2.522 0.768 0.466 0.912 0.676 CB 1.690 35 residues pruned to eliminate duplicates Z: 27 44.637 2.706 0.975 0.516 0.885 0.577 CB 1.823 27 residues pruned to eliminate duplicates Z: 43 53.748 2.627 0.905 0.555 0.857 0.643 CB 1.833 43 residues pruned to eliminate duplicates Z: 52 55.936 2.568 1.023 0.511 0.863 0.549 CB 1.729 52 residues pruned to eliminate duplicates Z: 122 94.467 2.544 1.034 0.546 0.909 0.645 CB 1.745 122 residues pruned to eliminate duplicates Z: 76 71.888 2.634 1.097 0.471 0.893 0.587 CB 1.733 76 residues pruned to eliminate duplicates Z: 98 67.089 2.502 1.034 0.433 0.866 0.557 CB 1.656 98 residues pruned to eliminate duplicates Z: 61 59.649 2.582 0.987 0.493 0.867 0.567 CB 1.744 61 residues pruned to eliminate duplicates Z: 123 104.179 2.562 1.079 0.551 0.943 0.672 CB 1.788 123 residues pruned to eliminate duplicates Z: 81 70.786 2.564 1.124 0.451 0.875 0.575 CB 1.748 81 residues pruned to eliminate duplicates Z: 82 68.651 2.556 1.110 0.443 0.877 0.642 CB 1.712 82 residues pruned to eliminate duplicates Z: 186 113.774 2.557 1.064 0.479 0.924 0.632 CB 1.752 186 residues pruned to eliminate duplicates Z: 48 42.812 2.480 0.992 0.374 0.894 0.553 CB 1.618 48 residues pruned to eliminate duplicates Z: 65 45.279 2.441 0.873 0.379 0.859 0.562 CB 1.640 65 residues pruned to eliminate duplicates Z: 80 66.763 2.595 1.018 0.454 0.886 0.620 CB 1.697 80 residues pruned to eliminate duplicates Z: 78 55.564 2.500 1.018 0.403 0.831 0.519 CB 1.673 78 residues pruned to eliminate duplicates Z: 52 63.209 2.664 1.058 0.503 0.882 0.627 CB 1.825 52 residues pruned to eliminate duplicates Z: 82 62.998 2.534 1.066 0.419 0.901 0.556 CB 1.614 82 residues pruned to eliminate duplicates Z: 20 33.664 2.630 1.099 0.419 0.842 0.474 CB 1.808 20 residues pruned to eliminate duplicates Z: 194 114.158 2.533 1.055 0.513 0.907 0.622 CB 1.719 194 residues pruned to eliminate duplicates Z: 97 68.157 2.527 1.089 0.444 0.865 0.552 CB 1.616 97 residues pruned to eliminate duplicates Z: 52 59.548 2.594 1.112 0.507 0.882 0.569 CB 1.714 52 residues pruned to eliminate duplicates Z: 11 14.874 2.320 1.123 0.370 0.700 0.400 CB 1.569 11 residues pruned to eliminate duplicates Z: 49 65.692 2.630 1.164 0.552 0.896 0.521 CB 1.768 49 residues pruned to eliminate duplicates Z: 36 35.520 2.463 1.054 0.365 0.857 0.486 CB 1.601 36 residues pruned to eliminate duplicates Z: 38 35.038 2.406 1.299 0.358 0.811 0.432 CB 1.497 38 residues pruned to eliminate duplicates Z: 21 33.131 2.564 1.336 0.396 0.800 0.500 CB 1.725 21 residues pruned to eliminate duplicates Z: 29 27.856 2.366 0.924 0.276 0.929 0.500 CB 1.604 29 residues pruned to eliminate duplicates Z: 32 26.788 2.382 0.967 0.323 0.871 0.419 CB 1.433 32 residues pruned to eliminate duplicates Z: 65 60.182 2.573 1.047 0.479 0.859 0.672 CB 1.697 65 residues pruned to eliminate duplicates Z: 65 52.307 2.464 1.088 0.429 0.875 0.531 CB 1.563 65 residues pruned to eliminate duplicates Z: 6 11.973 2.211 1.076 0.368 1.000 0.400 CA 1.343 6 residues pruned to eliminate duplicates Z: 31 31.918 2.425 0.995 0.325 0.900 0.533 CB 1.622 31 residues pruned to eliminate duplicates Z: 29 25.100 2.408 0.854 0.264 0.893 0.393 CB 1.558 29 residues pruned to eliminate duplicates Z: 28 30.233 2.468 0.982 0.355 0.852 0.444 CB 1.633 28 residues pruned to eliminate duplicates Z: 64 50.255 2.466 1.047 0.431 0.889 0.524 CB 1.515 64 residues pruned to eliminate duplicates Z: 30 29.581 2.441 1.064 0.310 0.828 0.483 CB 1.627 30 residues pruned to eliminate duplicates Z: 186 112.967 2.526 1.080 0.482 0.914 0.622 CB 1.763 186 residues pruned to eliminate duplicates Z: 61 51.262 2.547 0.984 0.411 0.850 0.600 CB 1.691 61 residues pruned to eliminate duplicates Z: 44 37.788 2.342 1.130 0.407 0.860 0.442 CB 1.480 44 residues pruned to eliminate duplicates Z: 31 27.089 2.343 0.899 0.329 0.833 0.533 CB 1.609 31 residues pruned to eliminate duplicates Z: 64 47.705 2.416 1.024 0.420 0.889 0.540 CB 1.503 64 residues pruned to eliminate duplicates Z: 25 38.386 2.506 1.113 0.438 0.917 0.667 CB 1.721 25 residues pruned to eliminate duplicates Z: 99 69.423 2.506 1.106 0.433 0.878 0.531 CB 1.623 99 residues pruned to eliminate duplicates Z: 16 18.227 2.294 1.022 0.319 0.800 0.267 CB 1.549 16 residues pruned to eliminate duplicates Z: 29 28.551 2.387 0.945 0.334 0.893 0.536 CB 1.560 29 residues pruned to eliminate duplicates Z: 65 51.906 2.441 1.129 0.409 0.906 0.516 CB 1.515 65 residues pruned to eliminate duplicates Z: 6 6.550 1.449 0.399 0.696 1.000 0.600 CA 1.208 6 residues pruned to eliminate duplicates Z: 15 4.848 1.791 0.523 0.221 0.714 0.357 CB 0.922 15 residues pruned to eliminate duplicates Z: 19 12.449 2.250 0.839 0.281 0.722 0.389 CB 1.257 19 residues pruned to eliminate duplicates Z: 12 4.931 1.982 0.409 0.134 0.727 0.273 CB 1.155 12 residues pruned to eliminate duplicates Z: 63 51.285 2.451 1.106 0.411 0.919 0.468 CB 1.508 63 residues pruned to eliminate duplicates Z: 65 47.184 2.407 1.094 0.391 0.859 0.500 CB 1.528 65 residues pruned to eliminate duplicates Z: 63 55.512 2.459 1.258 0.432 0.887 0.516 CB 1.535 63 residues pruned to eliminate duplicates Z: 6 10.432 1.772 1.528 0.375 1.000 0.200 CA 1.190 6 residues pruned to eliminate duplicates Z: 29 31.332 2.258 1.202 0.431 0.929 0.429 CB 1.378 29 residues pruned to eliminate duplicates Z: 65 50.839 2.413 1.215 0.408 0.844 0.531 CB 1.551 65 residues pruned to eliminate duplicates Z: 37 42.782 2.422 1.066 0.497 0.917 0.472 CB 1.559 37 residues pruned to eliminate duplicates Z: 25 32.897 2.353 1.302 0.502 0.833 0.542 CB 1.485 25 residues pruned to eliminate duplicates Z: 112 81.240 2.545 1.065 0.474 0.928 0.559 CB 1.623 112 residues pruned to eliminate duplicates Z: 210 118.158 2.514 1.144 0.491 0.904 0.593 CB 1.693 210 residues pruned to eliminate duplicates Z: 37 42.185 2.422 1.257 0.509 0.861 0.556 CB 1.481 37 residues pruned to eliminate duplicates Z: 87 58.781 2.457 1.015 0.410 0.895 0.453 CB 1.571 87 residues pruned to eliminate duplicates Z: 65 43.954 2.401 1.004 0.390 0.875 0.469 CB 1.466 65 residues pruned to eliminate duplicates Z: 49 36.440 2.330 1.217 0.342 0.792 0.458 CB 1.528 49 residues pruned to eliminate duplicates Z: 63 51.869 2.459 1.167 0.422 0.887 0.548 CB 1.512 63 residues pruned to eliminate duplicates Z: 36 41.559 2.502 1.216 0.483 0.857 0.543 CB 1.504 36 residues pruned to eliminate duplicates Z: 27 33.506 2.383 1.150 0.543 0.846 0.500 CB 1.454 27 residues pruned to eliminate duplicates Z: 27 36.757 2.416 1.098 0.574 0.885 0.462 CB 1.497 27 residues pruned to eliminate duplicates Z: 37 41.424 2.409 1.187 0.510 0.889 0.556 CB 1.459 37 residues pruned to eliminate duplicates Z: 26 40.384 2.430 1.064 0.598 0.920 0.600 CB 1.594 26 residues pruned to eliminate duplicates Z: 25 36.675 2.425 1.221 0.500 0.917 0.542 CB 1.517 25 residues pruned to eliminate duplicates Z: 23 45.961 2.462 1.321 0.561 1.000 0.545 CB 1.617 23 residues pruned to eliminate duplicates Z: 27 36.275 2.409 1.095 0.556 0.885 0.462 CB 1.509 27 residues pruned to eliminate duplicates Z: 27 36.264 2.400 1.037 0.577 0.885 0.538 CB 1.528 27 residues pruned to eliminate duplicates Z: 39 39.218 2.372 1.186 0.464 0.842 0.474 CB 1.511 39 residues pruned to eliminate duplicates Z: 6 3.450 1.673 0.356 0.344 1.000 0.800 N 0.806 6 residues pruned to eliminate duplicates Z: 182 114.350 2.547 1.121 0.510 0.906 0.608 CB 1.719 182 residues pruned to eliminate duplicates Z: 37 44.206 2.434 1.180 0.515 0.944 0.500 CB 1.448 37 residues pruned to eliminate duplicates Z: 64 52.277 2.470 1.188 0.423 0.841 0.508 CB 1.570 64 residues pruned to eliminate duplicates Z: 6 6.615 1.589 0.829 0.471 1.000 0.600 CA 1.049 6 residues pruned to eliminate duplicates Z: 51 45.290 2.431 1.185 0.446 0.880 0.560 CB 1.449 51 residues pruned to eliminate duplicates Z: 38 38.779 2.337 1.208 0.498 0.892 0.568 CB 1.388 38 residues pruned to eliminate duplicates Z: 63 51.626 2.455 1.129 0.429 0.919 0.419 CB 1.469 63 residues pruned to eliminate duplicates Z: 36 46.824 2.411 1.126 0.548 0.971 0.686 CB 1.517 36 residues pruned to eliminate duplicates Z: 66 47.652 2.415 1.081 0.441 0.862 0.523 CB 1.451 66 residues pruned to eliminate duplicates Z: 55 45.493 2.382 1.186 0.448 0.870 0.537 CB 1.442 55 residues pruned to eliminate duplicates 444 residues left after pruning, divided into chains as follows: A: 18 B: 204 C: 7 D: 215 CC for partial structure against native data = 46.57 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.779, Connect. = 0.777 for dens.mod. cycle 1 = 0.300, Contrast = 0.889, Connect. = 0.804 for dens.mod. cycle 2 = 0.300, Contrast = 1.102, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.133, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.161, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 1.167, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.177, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.178, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.181, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.180, Connect. = 0.835 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2728 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 579 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 56.050 2.695 0.767 0.880 0.955 0.818 CA 1.905 B: 23 70.240 2.701 0.987 0.922 1.000 0.864 CA 1.962 23 residues pruned to eliminate duplicates C: 24 57.317 2.540 0.859 0.907 0.957 0.783 CB 1.880 D: 23 64.124 2.691 0.940 0.919 1.000 0.773 CA 1.845 23 residues pruned to eliminate duplicates E: 23 62.033 2.583 0.991 0.894 1.000 0.818 CA 1.844 23 residues pruned to eliminate duplicates F: 24 61.682 2.624 0.877 0.908 1.000 0.826 CA 1.855 24 residues pruned to eliminate duplicates G: 113 83.457 2.563 1.147 0.468 0.875 0.571 CB 1.693 H: 24 50.515 2.552 0.660 0.904 1.000 0.783 CA 1.770 24 residues pruned to eliminate duplicates I: 15 45.471 2.493 1.218 0.926 1.000 0.643 CB 1.541 J: 23 61.289 2.700 0.952 0.892 0.955 0.955 CA 1.866 23 residues pruned to eliminate duplicates K: 23 55.825 2.617 0.683 0.917 1.000 0.909 CA 1.906 23 residues pruned to eliminate duplicates L: 16 28.848 2.258 0.640 0.809 0.933 0.667 CA 1.646 16 residues pruned to eliminate duplicates M: 24 50.649 2.622 0.615 0.916 1.000 0.913 CA 1.761 24 residues pruned to eliminate duplicates N: 15 50.073 2.550 1.773 0.769 0.857 0.571 CB 1.739 15 residues pruned to eliminate duplicates O: 48 68.089 2.664 1.170 0.561 0.894 0.702 CB 1.812 50 residues pruned to eliminate duplicates P: 14 43.534 2.628 0.932 0.912 1.000 0.769 CB 1.684 14 residues pruned to eliminate duplicates Q: 23 68.124 2.648 1.166 0.887 0.955 0.545 CA 1.913 23 residues pruned to eliminate duplicates R: 15 44.991 2.504 1.078 0.870 0.929 0.786 CB 1.816 15 residues pruned to eliminate duplicates S: 34 29.506 2.287 0.955 0.350 0.909 0.455 CB 1.487 34 residues pruned to eliminate duplicates T: 24 52.408 2.557 0.574 0.921 1.000 0.957 CA 1.911 24 residues pruned to eliminate duplicates U: 24 63.826 2.562 0.903 0.932 1.000 0.783 CA 1.905 24 residues pruned to eliminate duplicates V: 14 31.380 2.460 0.978 0.812 0.923 0.692 CA 1.477 14 residues pruned to eliminate duplicates W: 24 67.664 2.561 1.042 0.922 1.000 0.826 CB 1.897 24 residues pruned to eliminate duplicates X: 23 51.798 2.572 0.695 0.915 0.955 0.818 CA 1.876 23 residues pruned to eliminate duplicates Y: 24 54.454 2.544 0.848 0.865 0.957 0.739 CB 1.849 24 residues pruned to eliminate duplicates Z: 14 58.086 2.703 1.505 0.872 1.000 0.769 CA 1.734 14 residues pruned to eliminate duplicates Z: 13 40.806 2.644 1.136 0.853 0.917 0.750 CA 1.682 13 residues pruned to eliminate duplicates Z: 24 54.718 2.623 0.675 0.923 1.000 0.826 CA 1.826 24 residues pruned to eliminate duplicates Z: 17 32.448 2.318 0.990 0.867 0.875 0.688 CB 1.471 17 residues pruned to eliminate duplicates Z: 24 46.013 2.526 0.603 0.908 0.957 0.957 CA 1.760 24 residues pruned to eliminate duplicates Z: 24 55.032 2.535 0.980 0.905 0.913 0.783 CB 1.782 24 residues pruned to eliminate duplicates Z: 33 23.915 2.154 0.881 0.346 0.875 0.406 CB 1.410 33 residues pruned to eliminate duplicates Z: 24 60.104 2.620 0.827 0.932 1.000 0.826 CA 1.829 24 residues pruned to eliminate duplicates Z: 23 76.644 2.674 1.203 0.916 1.000 0.545 CA 1.958 23 residues pruned to eliminate duplicates Z: 23 66.216 2.607 1.069 0.900 1.000 0.636 CA 1.869 23 residues pruned to eliminate duplicates Z: 65 60.051 2.613 1.020 0.474 0.859 0.688 CB 1.700 65 residues pruned to eliminate duplicates Z: 16 36.469 2.411 0.879 0.853 1.000 0.600 CB 1.537 16 residues pruned to eliminate duplicates Z: 23 74.498 2.696 1.153 0.930 1.000 0.818 CA 1.914 23 residues pruned to eliminate duplicates Z: 109 96.279 2.516 1.149 0.513 0.944 0.667 CB 1.790 23 residues pruned to eliminate duplicates Z: 24 52.559 2.588 0.705 0.929 1.000 0.913 CA 1.738 24 residues pruned to eliminate duplicates Z: 23 62.695 2.658 1.027 0.918 0.909 0.727 CA 1.925 23 residues pruned to eliminate duplicates Z: 13 29.678 2.189 0.977 0.801 1.000 0.667 CA 1.522 13 residues pruned to eliminate duplicates Z: 23 72.823 2.610 1.134 0.922 1.000 0.682 CB 1.960 23 residues pruned to eliminate duplicates Z: 14 39.591 2.520 1.196 0.893 0.923 0.692 CB 1.543 14 residues pruned to eliminate duplicates Z: 24 64.761 2.574 0.965 0.941 1.000 0.957 CA 1.853 24 residues pruned to eliminate duplicates Z: 11 16.715 2.216 0.556 0.763 0.900 0.700 CB 1.348 11 residues pruned to eliminate duplicates Z: 31 23.845 2.190 0.972 0.377 0.733 0.467 CB 1.567 Z: 108 95.539 2.556 1.042 0.527 0.935 0.664 CB 1.844 109 residues pruned to eliminate duplicates Z: 41 26.302 2.224 0.761 0.350 0.825 0.400 CB 1.515 41 residues pruned to eliminate duplicates Z: 28 31.166 2.402 1.098 0.383 0.926 0.444 CB 1.455 28 residues pruned to eliminate duplicates Z: 78 47.770 2.349 0.907 0.466 0.831 0.506 CB 1.514 46 residues pruned to eliminate duplicates Z: 22 76.157 2.767 1.314 0.915 0.905 0.619 CA 2.028 22 residues pruned to eliminate duplicates Z: 22 70.130 2.660 1.165 0.926 1.000 0.714 CB 1.863 22 residues pruned to eliminate duplicates Z: 9 18.451 2.540 0.280 0.885 0.875 0.875 CB 1.656 9 residues pruned to eliminate duplicates Z: 39 50.311 2.455 1.115 0.406 0.947 0.632 CB 1.831 39 residues pruned to eliminate duplicates Z: 70 76.287 2.533 0.989 0.594 0.913 0.638 CB 1.825 70 residues pruned to eliminate duplicates Z: 29 26.370 2.264 0.979 0.400 0.857 0.464 CB 1.443 38 residues pruned to eliminate duplicates Z: 16 18.310 2.414 0.836 0.378 0.800 0.467 CB 1.518 16 residues pruned to eliminate duplicates Z: 23 57.107 2.602 0.717 0.929 1.000 0.818 CA 1.906 23 residues pruned to eliminate duplicates Z: 70 87.421 2.560 1.048 0.586 0.957 0.681 CB 1.933 70 residues pruned to eliminate duplicates Z: 19 17.951 2.239 0.996 0.324 0.833 0.556 CB 1.379 19 residues pruned to eliminate duplicates Z: 16 39.564 2.399 1.245 0.875 0.933 0.733 CB 1.477 16 residues pruned to eliminate duplicates Z: 22 78.866 2.747 1.164 0.915 1.000 0.762 CA 2.046 22 residues pruned to eliminate duplicates Z: 51 42.635 2.433 1.075 0.415 0.880 0.460 CB 1.483 51 residues pruned to eliminate duplicates Z: 23 64.325 2.600 1.013 0.935 0.955 0.818 CB 1.912 23 residues pruned to eliminate duplicates Z: 40 49.369 2.466 1.204 0.394 0.897 0.667 CB 1.813 40 residues pruned to eliminate duplicates Z: 16 54.191 2.512 1.436 0.842 0.933 0.733 CB 1.826 16 residues pruned to eliminate duplicates Z: 70 86.704 2.600 1.066 0.584 0.957 0.667 CB 1.874 69 residues pruned to eliminate duplicates Z: 24 69.980 2.605 1.176 0.900 1.000 0.739 CA 1.839 24 residues pruned to eliminate duplicates Z: 91 95.459 2.597 1.061 0.583 0.933 0.689 CB 1.860 94 residues pruned to eliminate duplicates Z: 108 92.623 2.529 1.120 0.518 0.935 0.710 CB 1.755 24 residues pruned to eliminate duplicates Z: 14 45.104 2.636 1.029 0.854 0.923 0.385 CB 1.871 14 residues pruned to eliminate duplicates Z: 39 50.778 2.507 1.136 0.394 0.921 0.579 CB 1.868 39 residues pruned to eliminate duplicates Z: 108 90.694 2.521 1.053 0.516 0.944 0.607 CB 1.766 108 residues pruned to eliminate duplicates Z: 15 44.764 2.484 1.267 0.784 1.000 0.643 CB 1.654 15 residues pruned to eliminate duplicates Z: 40 53.017 2.459 1.297 0.405 0.897 0.641 CB 1.850 40 residues pruned to eliminate duplicates Z: 63 85.521 2.559 1.106 0.609 0.952 0.742 CB 1.910 63 residues pruned to eliminate duplicates Z: 29 21.799 2.305 0.872 0.336 0.821 0.393 CB 1.391 29 residues pruned to eliminate duplicates Z: 24 56.635 2.622 0.885 0.870 0.957 0.783 CA 1.823 24 residues pruned to eliminate duplicates Z: 11 18.962 2.117 0.639 0.860 1.000 1.000 CB 1.271 11 residues pruned to eliminate duplicates Z: 70 82.151 2.571 1.040 0.596 0.971 0.638 CB 1.771 70 residues pruned to eliminate duplicates Z: 11 21.456 2.105 0.727 0.897 0.900 0.900 CA 1.484 11 residues pruned to eliminate duplicates Z: 14 31.568 2.195 1.021 0.745 1.000 0.769 CA 1.585 14 residues pruned to eliminate duplicates Z: 22 30.113 2.247 1.113 0.434 0.905 0.667 CB 1.638 22 residues pruned to eliminate duplicates Z: 86 60.070 2.491 1.010 0.425 0.859 0.565 CB 1.638 86 residues pruned to eliminate duplicates Z: 49 56.182 2.505 1.170 0.401 0.917 0.667 CB 1.806 49 residues pruned to eliminate duplicates Z: 15 45.261 2.443 1.298 0.861 1.000 0.571 CA 1.584 15 residues pruned to eliminate duplicates Z: 14 32.459 2.181 1.008 0.789 1.000 0.769 CA 1.595 14 residues pruned to eliminate duplicates Z: 107 93.214 2.521 0.993 0.524 0.972 0.670 CB 1.812 108 residues pruned to eliminate duplicates Z: 108 101.621 2.548 1.168 0.519 0.944 0.626 CB 1.848 108 residues pruned to eliminate duplicates Z: 108 84.307 2.512 1.028 0.512 0.916 0.645 CB 1.726 108 residues pruned to eliminate duplicates Z: 39 47.206 2.500 1.069 0.388 0.895 0.658 CB 1.863 39 residues pruned to eliminate duplicates Z: 62 57.319 2.558 0.958 0.491 0.869 0.705 CB 1.702 62 residues pruned to eliminate duplicates Z: 16 31.069 2.357 0.898 0.888 0.933 0.467 CB 1.384 16 residues pruned to eliminate duplicates Z: 53 40.238 2.373 1.056 0.404 0.846 0.385 CB 1.495 53 residues pruned to eliminate duplicates Z: 108 87.874 2.515 1.028 0.524 0.925 0.654 CB 1.759 108 residues pruned to eliminate duplicates Z: 63 57.567 2.550 1.060 0.501 0.839 0.677 CB 1.658 63 residues pruned to eliminate duplicates Z: 109 89.028 2.502 1.011 0.514 0.944 0.639 CB 1.778 109 residues pruned to eliminate duplicates Z: 24 47.480 2.529 0.537 0.890 1.000 0.826 CA 1.831 24 residues pruned to eliminate duplicates Z: 52 47.762 2.447 0.891 0.527 0.882 0.608 CB 1.594 52 residues pruned to eliminate duplicates Z: 23 41.349 2.577 1.145 0.586 0.864 0.591 CB 1.701 23 residues pruned to eliminate duplicates Z: 70 87.089 2.590 1.077 0.596 0.957 0.710 CB 1.860 70 residues pruned to eliminate duplicates Z: 47 31.090 2.266 0.730 0.410 0.891 0.522 CB 1.442 47 residues pruned to eliminate duplicates Z: 14 25.736 2.146 0.882 0.740 0.923 0.538 CA 1.544 14 residues pruned to eliminate duplicates Z: 70 83.370 2.553 1.056 0.584 0.957 0.681 CB 1.844 70 residues pruned to eliminate duplicates Z: 82 38.178 2.264 0.756 0.393 0.852 0.531 CB 1.402 82 residues pruned to eliminate duplicates Z: 16 34.595 2.486 0.966 0.835 0.867 0.667 CB 1.579 16 residues pruned to eliminate duplicates Z: 35 44.110 2.481 1.112 0.402 0.912 0.647 CB 1.755 35 residues pruned to eliminate duplicates Z: 23 67.165 2.679 1.092 0.869 0.955 0.500 CA 1.955 23 residues pruned to eliminate duplicates Z: 31 46.941 2.637 1.048 0.518 0.900 0.600 CB 1.732 31 residues pruned to eliminate duplicates Z: 112 81.602 2.546 1.130 0.483 0.892 0.586 CB 1.629 112 residues pruned to eliminate duplicates Z: 24 56.564 2.556 0.923 0.900 0.957 0.739 CA 1.792 24 residues pruned to eliminate duplicates Z: 11 19.855 2.054 0.726 0.871 0.900 0.700 CA 1.436 11 residues pruned to eliminate duplicates Z: 80 82.640 2.533 0.966 0.582 0.949 0.709 CB 1.817 80 residues pruned to eliminate duplicates Z: 109 98.561 2.524 1.132 0.518 0.944 0.574 CB 1.833 109 residues pruned to eliminate duplicates Z: 71 74.395 2.562 0.981 0.571 0.900 0.657 CB 1.817 71 residues pruned to eliminate duplicates Z: 12 24.448 2.062 0.849 0.754 1.000 0.727 CB 1.542 Z: 109 95.279 2.551 1.112 0.520 0.898 0.667 CB 1.858 109 residues pruned to eliminate duplicates Z: 11 37.107 2.379 1.018 0.872 1.000 0.600 CB 1.780 11 residues pruned to eliminate duplicates Z: 24 59.386 2.531 0.996 0.898 0.957 0.826 CB 1.832 24 residues pruned to eliminate duplicates Z: 50 31.988 2.286 0.753 0.396 0.878 0.551 CB 1.449 50 residues pruned to eliminate duplicates Z: 14 43.518 2.659 0.993 0.904 0.923 0.692 CB 1.757 14 residues pruned to eliminate duplicates Z: 101 99.721 2.613 1.094 0.586 0.920 0.690 CB 1.823 101 residues pruned to eliminate duplicates Z: 107 93.374 2.525 1.033 0.516 0.972 0.689 CB 1.789 107 residues pruned to eliminate duplicates Z: 14 25.842 2.130 0.861 0.785 0.923 0.615 CA 1.524 14 residues pruned to eliminate duplicates Z: 109 85.567 2.488 1.014 0.505 0.944 0.657 CB 1.732 109 residues pruned to eliminate duplicates Z: 109 85.501 2.505 0.952 0.518 0.944 0.620 CB 1.750 109 residues pruned to eliminate duplicates Z: 9 14.977 2.352 0.362 0.789 0.875 0.875 CB 1.466 9 residues pruned to eliminate duplicates Z: 113 97.587 2.511 1.145 0.508 0.946 0.589 CB 1.794 114 residues pruned to eliminate duplicates Z: 170 112.555 2.530 1.062 0.517 0.911 0.621 CB 1.791 170 residues pruned to eliminate duplicates Z: 71 78.422 2.553 0.994 0.566 0.929 0.657 CB 1.859 71 residues pruned to eliminate duplicates Z: 50 49.080 2.422 1.029 0.424 0.939 0.612 CB 1.645 50 residues pruned to eliminate duplicates Z: 82 80.305 2.472 0.988 0.560 0.951 0.654 CB 1.802 82 residues pruned to eliminate duplicates Z: 42 76.870 2.570 1.201 0.652 0.951 0.683 CB 1.936 42 residues pruned to eliminate duplicates Z: 46 48.921 2.522 0.979 0.517 0.867 0.644 CB 1.658 46 residues pruned to eliminate duplicates Z: 25 33.224 2.448 0.939 0.525 0.875 0.583 CB 1.592 25 residues pruned to eliminate duplicates Z: 26 47.133 2.715 0.983 0.562 0.880 0.680 CB 1.874 26 residues pruned to eliminate duplicates Z: 80 84.357 2.527 1.072 0.567 0.962 0.671 CB 1.766 80 residues pruned to eliminate duplicates Z: 109 83.056 2.494 0.972 0.497 0.935 0.648 CB 1.742 109 residues pruned to eliminate duplicates Z: 69 85.603 2.571 1.027 0.607 0.971 0.691 CB 1.853 69 residues pruned to eliminate duplicates Z: 24 64.287 2.566 0.870 0.927 1.000 0.913 CA 1.958 24 residues pruned to eliminate duplicates Z: 13 29.625 2.231 0.926 0.815 1.000 0.833 CA 1.513 13 residues pruned to eliminate duplicates Z: 72 84.091 2.536 1.135 0.574 0.958 0.620 CB 1.792 72 residues pruned to eliminate duplicates Z: 11 22.188 2.365 0.810 0.403 1.000 0.600 CB 1.815 11 residues pruned to eliminate duplicates Z: 108 99.587 2.558 1.170 0.517 0.916 0.636 CB 1.862 108 residues pruned to eliminate duplicates Z: 109 80.756 2.505 0.898 0.507 0.935 0.574 CB 1.736 109 residues pruned to eliminate duplicates Z: 8 15.639 2.266 1.183 0.407 0.857 0.571 CB 1.538 8 residues pruned to eliminate duplicates Z: 23 50.033 2.543 0.699 0.914 1.000 0.818 CA 1.746 23 residues pruned to eliminate duplicates Z: 11 24.014 2.162 0.862 0.823 1.000 0.700 CB 1.426 11 residues pruned to eliminate duplicates Z: 11 16.860 2.118 0.509 0.818 1.000 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 25 20.727 2.272 0.648 0.384 0.833 0.417 CB 1.533 25 residues pruned to eliminate duplicates Z: 24 67.083 2.633 1.112 0.886 0.957 0.783 CA 1.898 24 residues pruned to eliminate duplicates Z: 110 86.223 2.479 1.072 0.493 0.927 0.560 CB 1.747 110 residues pruned to eliminate duplicates Z: 9 10.433 2.255 0.237 0.422 0.875 0.750 CB 1.638 9 residues pruned to eliminate duplicates Z: 23 54.731 2.642 0.623 0.926 1.000 0.864 CA 1.908 23 residues pruned to eliminate duplicates Z: 12 28.391 2.058 1.095 0.765 1.000 0.818 CB 1.569 12 residues pruned to eliminate duplicates Z: 21 84.194 2.788 1.230 0.918 1.000 0.600 CA 2.135 21 residues pruned to eliminate duplicates Z: 109 102.823 2.551 1.196 0.517 0.944 0.630 CB 1.838 109 residues pruned to eliminate duplicates Z: 90 91.937 2.550 1.177 0.580 0.933 0.663 CB 1.743 90 residues pruned to eliminate duplicates Z: 51 52.800 2.447 1.156 0.380 0.900 0.540 CB 1.787 49 residues pruned to eliminate duplicates Z: 11 21.685 2.128 0.726 0.797 0.900 0.700 CB 1.599 11 residues pruned to eliminate duplicates Z: 70 85.773 2.571 1.117 0.572 0.942 0.667 CB 1.879 70 residues pruned to eliminate duplicates Z: 22 71.390 2.676 1.148 0.922 1.000 0.714 CB 1.906 22 residues pruned to eliminate duplicates Z: 14 48.578 2.551 1.150 0.925 1.000 0.923 CB 1.724 14 residues pruned to eliminate duplicates Z: 10 26.375 2.271 0.700 0.862 1.000 0.667 CB 1.673 10 residues pruned to eliminate duplicates Z: 14 32.852 2.178 1.159 0.757 1.000 0.769 CB 1.542 14 residues pruned to eliminate duplicates Z: 9 24.094 2.379 0.668 0.881 1.000 1.000 CB 1.555 9 residues pruned to eliminate duplicates Z: 97 85.773 2.491 1.059 0.576 0.948 0.604 CB 1.675 97 residues pruned to eliminate duplicates Z: 40 48.800 2.450 1.066 0.401 0.923 0.590 CB 1.856 41 residues pruned to eliminate duplicates Z: 13 7.662 1.672 0.738 0.204 0.833 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 14 15.570 2.139 0.583 0.425 0.923 0.538 CB 1.493 Z: 40 47.341 2.423 1.084 0.417 0.897 0.590 CB 1.823 40 residues pruned to eliminate duplicates Z: 11 24.988 2.141 1.221 0.864 0.900 0.700 CB 1.353 11 residues pruned to eliminate duplicates Z: 82 79.896 2.498 1.065 0.559 0.938 0.679 CB 1.731 82 residues pruned to eliminate duplicates Z: 52 40.054 2.272 1.067 0.424 0.882 0.471 CB 1.465 36 residues pruned to eliminate duplicates Z: 7 12.064 2.317 0.475 0.625 0.833 0.333 CB 1.538 7 residues pruned to eliminate duplicates Z: 12 23.544 2.083 0.978 0.766 0.909 0.727 CB 1.498 12 residues pruned to eliminate duplicates Z: 41 34.780 2.330 1.112 0.377 0.800 0.575 CB 1.593 41 residues pruned to eliminate duplicates Z: 70 79.054 2.581 0.978 0.563 0.957 0.739 CB 1.834 70 residues pruned to eliminate duplicates Z: 26 37.107 2.492 1.075 0.391 0.960 0.720 CB 1.678 26 residues pruned to eliminate duplicates Z: 13 20.717 2.316 0.708 0.502 0.833 0.500 CB 1.811 13 residues pruned to eliminate duplicates Z: 12 6.109 1.895 0.890 0.298 0.545 0.455 CB 1.181 12 residues pruned to eliminate duplicates Z: 41 49.538 2.444 1.120 0.394 0.925 0.575 CB 1.828 41 residues pruned to eliminate duplicates Z: 110 99.234 2.540 1.189 0.511 0.936 0.633 CB 1.808 110 residues pruned to eliminate duplicates Z: 13 22.740 2.160 0.764 0.783 0.917 0.833 CA 1.465 13 residues pruned to eliminate duplicates Z: 83 75.803 2.477 1.007 0.543 0.927 0.695 CB 1.742 83 residues pruned to eliminate duplicates Z: 51 49.621 2.407 1.187 0.448 0.920 0.520 CB 1.529 50 residues pruned to eliminate duplicates Z: 50 45.074 2.336 1.029 0.397 0.898 0.633 CB 1.686 50 residues pruned to eliminate duplicates Z: 10 22.144 2.163 1.056 0.888 1.000 0.667 CB 1.195 10 residues pruned to eliminate duplicates Z: 40 47.558 2.453 1.153 0.397 0.897 0.513 CB 1.791 40 residues pruned to eliminate duplicates Z: 61 90.483 2.569 1.214 0.621 0.967 0.767 CB 1.894 61 residues pruned to eliminate duplicates Z: 52 48.507 2.350 0.960 0.437 0.941 0.608 CB 1.672 52 residues pruned to eliminate duplicates Z: 11 5.440 2.122 0.248 0.248 0.700 0.400 CB 1.241 11 residues pruned to eliminate duplicates Z: 109 87.747 2.512 1.071 0.495 0.907 0.639 CB 1.797 109 residues pruned to eliminate duplicates Z: 31 28.100 2.357 1.014 0.342 0.867 0.433 CB 1.480 31 residues pruned to eliminate duplicates Z: 6 7.309 1.614 1.083 0.400 0.800 0.600 CA 1.351 6 residues pruned to eliminate duplicates Z: 25 19.521 2.079 0.744 0.370 0.833 0.583 CA 1.515 25 residues pruned to eliminate duplicates Z: 16 17.333 2.354 1.200 0.296 0.733 0.400 CB 1.480 16 residues pruned to eliminate duplicates Z: 7 4.109 1.701 0.339 0.276 0.833 0.333 CB 1.138 7 residues pruned to eliminate duplicates Z: 10 25.886 2.300 1.172 0.839 0.889 0.667 CB 1.451 10 residues pruned to eliminate duplicates Z: 7 8.120 1.820 0.471 0.623 0.833 0.333 CA 1.323 7 residues pruned to eliminate duplicates Z: 47 44.114 2.328 1.051 0.418 0.913 0.565 CB 1.627 47 residues pruned to eliminate duplicates Z: 110 88.544 2.495 1.067 0.519 0.927 0.661 CB 1.742 110 residues pruned to eliminate duplicates Z: 37 44.319 2.415 1.098 0.411 0.944 0.639 CB 1.695 37 residues pruned to eliminate duplicates Z: 23 33.937 2.424 1.140 0.410 0.909 0.682 CB 1.686 23 residues pruned to eliminate duplicates Z: 10 8.313 2.080 0.478 0.271 0.889 0.333 CB 1.315 10 residues pruned to eliminate duplicates Z: 23 55.021 2.646 0.780 0.890 0.955 0.818 CA 1.878 23 residues pruned to eliminate duplicates Z: 16 35.259 2.374 0.700 0.872 1.000 0.867 CB 1.644 16 residues pruned to eliminate duplicates Z: 49 44.932 2.391 0.980 0.406 0.917 0.667 CB 1.649 49 residues pruned to eliminate duplicates Z: 15 33.483 2.407 1.029 0.793 0.857 0.571 CB 1.654 15 residues pruned to eliminate duplicates Z: 11 17.367 2.234 1.082 0.446 0.800 0.400 CB 1.561 11 residues pruned to eliminate duplicates Z: 16 27.521 2.330 1.382 0.467 0.867 0.667 CB 1.528 16 residues pruned to eliminate duplicates Z: 22 60.500 2.645 0.824 0.915 1.000 0.810 CA 1.935 22 residues pruned to eliminate duplicates Z: 6 16.503 2.497 0.379 0.800 1.000 0.600 CB 1.649 6 residues pruned to eliminate duplicates Z: 24 23.986 2.436 1.156 0.316 0.826 0.522 CB 1.413 24 residues pruned to eliminate duplicates Z: 70 86.493 2.574 1.119 0.592 0.942 0.739 CB 1.855 70 residues pruned to eliminate duplicates Z: 15 46.145 2.507 1.439 0.783 0.929 0.786 CB 1.693 15 residues pruned to eliminate duplicates Z: 109 98.228 2.544 1.129 0.523 0.944 0.620 CB 1.807 109 residues pruned to eliminate duplicates Z: 11 23.400 2.144 0.743 0.813 0.900 0.900 CB 1.676 11 residues pruned to eliminate duplicates Z: 37 43.497 2.457 1.067 0.434 0.889 0.611 CB 1.720 37 residues pruned to eliminate duplicates Z: 48 49.778 2.484 1.052 0.561 0.872 0.638 CB 1.540 48 residues pruned to eliminate duplicates Z: 108 83.544 2.495 0.980 0.525 0.935 0.673 CB 1.706 108 residues pruned to eliminate duplicates Z: 20 51.788 2.664 1.159 0.679 0.947 0.684 CB 1.849 20 residues pruned to eliminate duplicates Z: 111 99.285 2.521 1.190 0.514 0.927 0.636 CB 1.824 111 residues pruned to eliminate duplicates Z: 19 30.717 2.200 1.039 0.628 0.944 0.611 CB 1.515 19 residues pruned to eliminate duplicates Z: 72 71.110 2.506 0.879 0.555 0.944 0.648 CB 1.800 72 residues pruned to eliminate duplicates Z: 10 18.600 2.330 0.829 0.434 1.000 0.444 CB 1.557 10 residues pruned to eliminate duplicates Z: 48 39.966 2.391 1.114 0.457 0.894 0.489 CB 1.349 48 residues pruned to eliminate duplicates Z: 15 21.512 2.241 1.181 0.537 0.857 0.643 CB 1.323 15 residues pruned to eliminate duplicates Z: 14 20.946 2.241 0.805 0.501 0.923 0.692 CB 1.554 15 residues pruned to eliminate duplicates Z: 26 27.557 2.285 1.088 0.396 0.880 0.480 CB 1.465 26 residues pruned to eliminate duplicates Z: 23 66.860 2.601 1.057 0.917 1.000 0.545 CB 1.880 23 residues pruned to eliminate duplicates Z: 60 44.937 2.517 1.043 0.352 0.847 0.559 CB 1.575 60 residues pruned to eliminate duplicates Z: 11 25.601 2.153 0.679 0.858 1.000 1.000 CA 1.649 11 residues pruned to eliminate duplicates Z: 30 19.780 2.123 0.822 0.383 0.793 0.483 CB 1.357 30 residues pruned to eliminate duplicates Z: 20 28.517 2.405 0.874 0.454 0.947 0.579 CB 1.606 20 residues pruned to eliminate duplicates Z: 16 33.368 2.495 1.264 0.420 0.933 0.600 CB 1.776 16 residues pruned to eliminate duplicates Z: 12 19.754 1.971 0.621 0.804 1.000 0.818 CB 1.429 12 residues pruned to eliminate duplicates Z: 21 80.758 2.781 1.143 0.924 1.000 0.550 CA 2.128 21 residues pruned to eliminate duplicates Z: 48 49.780 2.451 1.043 0.547 0.872 0.681 CB 1.587 48 residues pruned to eliminate duplicates Z: 48 35.856 2.308 0.850 0.446 0.851 0.532 CB 1.521 48 residues pruned to eliminate duplicates Z: 7 9.933 1.999 0.497 0.710 0.833 0.500 CA 1.344 7 residues pruned to eliminate duplicates Z: 13 29.508 2.190 1.046 0.758 1.000 0.750 CA 1.511 13 residues pruned to eliminate duplicates Z: 109 98.376 2.546 1.141 0.521 0.944 0.639 CB 1.801 109 residues pruned to eliminate duplicates Z: 71 79.998 2.525 1.006 0.565 0.957 0.643 CB 1.852 71 residues pruned to eliminate duplicates Z: 12 13.560 2.197 0.661 0.426 0.727 0.636 CB 1.664 12 residues pruned to eliminate duplicates Z: 11 27.669 2.177 0.836 0.822 1.000 0.800 CA 1.655 11 residues pruned to eliminate duplicates Z: 87 57.216 2.458 0.884 0.435 0.860 0.535 CB 1.655 87 residues pruned to eliminate duplicates Z: 15 15.198 2.091 0.803 0.427 0.857 0.571 CB 1.357 15 residues pruned to eliminate duplicates Z: 26 56.069 2.703 1.192 0.612 0.920 0.720 CB 1.850 26 residues pruned to eliminate duplicates Z: 89 67.801 2.441 0.901 0.520 0.886 0.614 CB 1.723 89 residues pruned to eliminate duplicates Z: 22 37.945 2.550 1.062 0.609 0.905 0.571 CB 1.570 22 residues pruned to eliminate duplicates Z: 47 40.281 2.369 1.007 0.448 0.891 0.435 CB 1.478 47 residues pruned to eliminate duplicates Z: 94 55.446 2.294 0.956 0.453 0.882 0.559 CB 1.524 94 residues pruned to eliminate duplicates Z: 23 27.290 2.309 1.038 0.377 0.909 0.682 CB 1.551 23 residues pruned to eliminate duplicates Z: 103 93.696 2.536 1.096 0.527 0.922 0.716 CB 1.844 103 residues pruned to eliminate duplicates Z: 12 22.988 2.118 0.659 0.845 0.909 0.727 CA 1.613 12 residues pruned to eliminate duplicates Z: 43 73.394 2.621 1.013 0.661 0.952 0.810 CB 1.942 43 residues pruned to eliminate duplicates Z: 39 52.198 2.511 1.211 0.402 0.921 0.605 CB 1.836 39 residues pruned to eliminate duplicates Z: 100 104.815 2.557 1.124 0.560 0.960 0.677 CB 1.906 100 residues pruned to eliminate duplicates Z: 9 13.713 1.897 0.597 0.734 1.000 0.500 CB 1.297 9 residues pruned to eliminate duplicates Z: 9 12.606 1.826 0.542 0.785 0.875 0.375 CA 1.408 9 residues pruned to eliminate duplicates Z: 12 13.700 2.085 0.636 0.426 0.909 0.727 CB 1.439 12 residues pruned to eliminate duplicates Z: 32 40.053 2.393 0.952 0.428 0.903 0.484 CB 1.837 32 residues pruned to eliminate duplicates Z: 28 38.668 2.436 0.848 0.514 0.963 0.667 CB 1.693 28 residues pruned to eliminate duplicates Z: 65 94.794 2.579 1.068 0.644 1.000 0.734 CB 1.941 65 residues pruned to eliminate duplicates Z: 10 9.037 1.823 0.284 0.634 0.778 0.667 CB 1.459 10 residues pruned to eliminate duplicates Z: 52 48.239 2.433 1.116 0.427 0.902 0.510 CB 1.570 52 residues pruned to eliminate duplicates Z: 64 60.670 2.576 0.983 0.497 0.857 0.587 CB 1.751 64 residues pruned to eliminate duplicates Z: 63 47.483 2.461 1.108 0.419 0.855 0.516 CB 1.479 63 residues pruned to eliminate duplicates Z: 8 12.131 1.979 1.259 0.538 0.857 0.714 CB 1.153 8 residues pruned to eliminate duplicates Z: 8 15.166 2.022 1.001 0.758 0.857 0.429 CB 1.314 8 residues pruned to eliminate duplicates Z: 102 88.525 2.519 0.949 0.534 0.950 0.693 CB 1.826 102 residues pruned to eliminate duplicates Z: 7 10.270 2.209 1.186 0.415 0.667 0.667 CB 1.424 7 residues pruned to eliminate duplicates Z: 10 4.235 1.694 0.770 0.260 0.667 0.444 CB 0.929 10 residues pruned to eliminate duplicates Z: 9 13.486 1.874 0.444 0.800 0.875 0.625 CB 1.549 9 residues pruned to eliminate duplicates Z: 9 13.794 1.870 0.668 0.818 0.875 0.375 CA 1.356 9 residues pruned to eliminate duplicates Z: 20 41.485 2.549 0.873 0.553 1.000 0.684 CB 1.894 20 residues pruned to eliminate duplicates Z: 10 14.716 1.809 0.493 0.792 1.000 0.778 CB 1.406 10 residues pruned to eliminate duplicates Z: 66 39.713 2.293 0.793 0.400 0.892 0.569 CB 1.492 66 residues pruned to eliminate duplicates Z: 63 52.869 2.455 1.108 0.421 0.887 0.484 CB 1.588 63 residues pruned to eliminate duplicates Z: 48 44.725 2.483 1.007 0.519 0.830 0.489 CB 1.548 48 residues pruned to eliminate duplicates Z: 62 69.453 2.517 0.919 0.599 0.934 0.705 CB 1.794 62 residues pruned to eliminate duplicates Z: 33 28.992 2.310 0.884 0.320 0.906 0.500 CB 1.585 33 residues pruned to eliminate duplicates Z: 43 84.512 2.665 1.198 0.673 0.952 0.762 CB 1.994 43 residues pruned to eliminate duplicates Z: 95 77.588 2.539 1.151 0.490 0.904 0.596 CB 1.636 95 residues pruned to eliminate duplicates Z: 13 12.180 2.257 0.598 0.300 0.750 0.333 CB 1.625 13 residues pruned to eliminate duplicates Z: 16 36.079 2.517 1.383 0.424 0.933 0.667 CB 1.802 16 residues pruned to eliminate duplicates Z: 20 36.050 2.420 1.203 0.660 0.895 0.684 CB 1.495 20 residues pruned to eliminate duplicates Z: 18 17.375 2.184 0.851 0.380 0.882 0.471 CB 1.343 18 residues pruned to eliminate duplicates Z: 50 57.799 2.445 1.074 0.419 0.939 0.612 CB 1.888 51 residues pruned to eliminate duplicates Z: 72 54.397 2.428 0.920 0.477 0.873 0.577 CB 1.624 72 residues pruned to eliminate duplicates Z: 82 46.525 2.334 0.896 0.428 0.802 0.519 CB 1.569 82 residues pruned to eliminate duplicates Z: 23 29.862 2.409 0.881 0.399 0.909 0.545 CB 1.720 23 residues pruned to eliminate duplicates Z: 65 89.657 2.582 1.057 0.629 0.969 0.656 CB 1.929 65 residues pruned to eliminate duplicates Z: 153 108.432 2.548 1.046 0.513 0.934 0.671 CB 1.783 153 residues pruned to eliminate duplicates Z: 12 25.741 2.373 0.783 0.759 0.909 0.636 CA 1.603 12 residues pruned to eliminate duplicates Z: 71 82.496 2.561 1.030 0.580 0.943 0.700 CB 1.862 71 residues pruned to eliminate duplicates Z: 102 97.494 2.532 1.093 0.539 0.960 0.683 CB 1.834 102 residues pruned to eliminate duplicates Z: 10 11.853 1.745 0.273 0.732 1.000 0.667 O 1.443 10 residues pruned to eliminate duplicates Z: 91 87.845 2.522 1.110 0.554 0.911 0.656 CB 1.811 91 residues pruned to eliminate duplicates 6 1.863 1.703 0.789 0.261 0.400 0.400 C 0.899 ? Z: 38 50.624 2.472 1.151 0.441 0.892 0.676 CB 1.864 38 residues pruned to eliminate duplicates Z: 103 97.054 2.541 1.071 0.535 0.951 0.686 CB 1.856 103 residues pruned to eliminate duplicates Z: 10 6.153 2.036 0.605 0.273 0.556 0.556 CB 1.462 10 residues pruned to eliminate duplicates Z: 137 98.648 2.472 1.035 0.539 0.949 0.654 CB 1.707 137 residues pruned to eliminate duplicates Z: 38 29.133 2.210 0.827 0.454 0.865 0.351 CB 1.438 38 residues pruned to eliminate duplicates Z: 87 52.043 2.349 1.014 0.428 0.884 0.547 CB 1.447 87 residues pruned to eliminate duplicates Z: 7 4.950 1.949 0.543 0.669 0.833 0.833 CB 0.690 Z: 14 17.708 1.905 0.852 0.743 0.846 0.615 CB 1.324 14 residues pruned to eliminate duplicates Z: 55 52.171 2.356 1.013 0.479 0.944 0.667 CB 1.618 55 residues pruned to eliminate duplicates Z: 17 21.952 2.218 0.926 0.420 0.875 0.500 CB 1.596 17 residues pruned to eliminate duplicates Z: 53 78.429 2.566 0.955 0.612 1.000 0.808 CB 1.951 53 residues pruned to eliminate duplicates Z: 24 22.957 2.210 0.908 0.399 0.870 0.652 CB 1.451 24 residues pruned to eliminate duplicates Z: 25 31.017 2.399 0.941 0.359 0.958 0.583 CB 1.651 25 residues pruned to eliminate duplicates Z: 18 15.064 2.142 0.925 0.311 0.765 0.471 CB 1.429 18 residues pruned to eliminate duplicates Z: 28 42.178 2.546 1.257 0.374 0.889 0.630 CB 1.818 28 residues pruned to eliminate duplicates Z: 21 18.848 2.257 0.773 0.334 0.800 0.400 CB 1.579 21 residues pruned to eliminate duplicates Z: 7 9.014 1.665 0.452 0.729 1.000 0.667 CA 1.239 7 residues pruned to eliminate duplicates Z: 7 2.518 1.375 0.406 0.615 1.000 0.667 CB 0.477 Z: 25 29.429 2.350 1.029 0.500 0.917 0.458 CB 1.375 25 residues pruned to eliminate duplicates Z: 11 26.432 2.381 0.914 0.601 1.000 0.700 CB 1.666 11 residues pruned to eliminate duplicates Z: 82 65.658 2.417 1.017 0.433 0.938 0.630 CB 1.709 82 residues pruned to eliminate duplicates Z: 82 79.905 2.502 0.963 0.571 0.963 0.691 CB 1.754 82 residues pruned to eliminate duplicates Z: 78 71.124 2.477 1.035 0.453 0.948 0.636 CB 1.781 78 residues pruned to eliminate duplicates Z: 86 77.085 2.596 0.812 0.587 0.918 0.741 CB 1.782 86 residues pruned to eliminate duplicates Z: 6 6.932 1.896 0.445 0.664 1.000 1.000 CB 0.972 Z: 43 67.000 2.621 0.916 0.615 0.952 0.762 CB 1.939 43 residues pruned to eliminate duplicates Z: 6 8.049 2.149 0.065 0.772 0.800 0.600 CB 1.545 6 residues pruned to eliminate duplicates Z: 8 4.572 1.740 -0.110 0.774 0.714 0.571 CB 1.227 8 residues pruned to eliminate duplicates Z: 16 39.920 2.436 1.086 0.872 1.000 0.867 CB 1.479 16 residues pruned to eliminate duplicates Z: 7 5.709 1.553 0.688 0.642 0.833 0.667 N 0.934 7 residues pruned to eliminate duplicates Z: 82 79.625 2.499 1.040 0.560 0.938 0.667 CB 1.745 82 residues pruned to eliminate duplicates Z: 61 51.241 2.479 1.032 0.448 0.900 0.567 CB 1.539 61 residues pruned to eliminate duplicates Z: 79 65.023 2.542 1.125 0.483 0.833 0.577 CB 1.663 79 residues pruned to eliminate duplicates Z: 44 46.185 2.432 0.988 0.417 0.884 0.558 CB 1.798 44 residues pruned to eliminate duplicates Z: 82 64.126 2.426 0.924 0.494 0.914 0.630 CB 1.682 82 residues pruned to eliminate duplicates Z: 62 42.643 2.402 1.135 0.371 0.852 0.459 CB 1.434 62 residues pruned to eliminate duplicates Z: 6 6.054 1.653 0.428 0.567 0.800 0.600 CA 1.343 6 residues pruned to eliminate duplicates Z: 51 34.152 2.230 0.874 0.422 0.880 0.520 CB 1.424 51 residues pruned to eliminate duplicates Z: 27 43.621 2.584 1.004 0.560 0.962 0.500 CB 1.620 27 residues pruned to eliminate duplicates Z: 11 12.487 2.194 0.786 0.428 0.800 0.600 CB 1.357 11 residues pruned to eliminate duplicates Z: 11 20.064 2.406 1.306 0.321 0.900 0.700 CB 1.547 11 residues pruned to eliminate duplicates Z: 6 3.639 1.823 1.031 0.579 1.000 0.800 CB 0.407 Z: 60 53.120 2.394 1.121 0.393 0.915 0.644 CB 1.666 60 residues pruned to eliminate duplicates Z: 8 16.673 2.092 0.408 0.772 1.000 0.571 CA 1.682 8 residues pruned to eliminate duplicates Z: 11 28.785 2.250 1.016 0.830 1.000 0.500 CA 1.509 11 residues pruned to eliminate duplicates Z: 8 13.312 1.793 0.526 0.804 1.000 0.714 CB 1.410 8 residues pruned to eliminate duplicates Z: 16 20.825 2.404 0.989 0.385 0.867 0.333 CB 1.466 16 residues pruned to eliminate duplicates Z: 9 14.505 1.985 0.259 0.825 1.000 0.875 CA 1.550 9 residues pruned to eliminate duplicates Z: 18 37.220 2.512 1.137 0.581 0.941 0.529 CB 1.653 18 residues pruned to eliminate duplicates Z: 22 33.745 2.499 1.061 0.353 0.905 0.524 CA 1.852 22 residues pruned to eliminate duplicates Z: 48 73.846 2.597 0.989 0.638 0.936 0.702 CB 1.958 48 residues pruned to eliminate duplicates Z: 8 5.578 1.851 0.308 0.469 0.714 0.571 CB 1.258 8 residues pruned to eliminate duplicates Z: 56 72.999 2.510 0.961 0.593 0.964 0.709 CB 1.899 56 residues pruned to eliminate duplicates Z: 7 9.589 1.847 1.053 0.607 0.833 0.667 N 1.119 7 residues pruned to eliminate duplicates Z: 18 20.610 2.102 0.863 0.378 0.941 0.588 CB 1.545 18 residues pruned to eliminate duplicates Z: 10 12.622 1.767 0.337 0.861 1.000 0.444 CB 1.308 10 residues pruned to eliminate duplicates Z: 11 11.829 2.130 0.534 0.389 0.800 0.600 CB 1.610 11 residues pruned to eliminate duplicates Z: 61 57.625 2.504 1.181 0.417 0.950 0.500 CB 1.564 61 residues pruned to eliminate duplicates Z: 24 28.803 2.276 0.906 0.600 0.913 0.478 CB 1.378 24 residues pruned to eliminate duplicates Z: 20 33.686 2.400 1.152 0.615 0.895 0.526 CB 1.500 20 residues pruned to eliminate duplicates Z: 23 54.540 2.533 0.936 0.871 0.955 0.591 CA 1.812 23 residues pruned to eliminate duplicates Z: 15 42.312 2.544 0.917 0.867 1.000 0.786 CA 1.697 15 residues pruned to eliminate duplicates Z: 30 21.441 2.289 0.774 0.318 0.759 0.448 CB 1.581 30 residues pruned to eliminate duplicates Z: 39 41.925 2.273 1.187 0.459 0.921 0.526 CB 1.549 39 residues pruned to eliminate duplicates Z: 51 43.245 2.262 1.079 0.470 0.900 0.560 CB 1.489 51 residues pruned to eliminate duplicates Z: 40 32.747 2.251 0.822 0.447 0.923 0.487 CB 1.463 40 residues pruned to eliminate duplicates Z: 26 35.691 2.408 1.099 0.527 0.880 0.640 CB 1.563 26 residues pruned to eliminate duplicates Z: 20 19.208 2.234 0.841 0.440 0.842 0.421 CB 1.354 20 residues pruned to eliminate duplicates Z: 10 27.640 2.277 1.176 0.870 1.000 0.667 CB 1.358 10 residues pruned to eliminate duplicates Z: 15 24.757 2.318 0.784 0.460 0.929 0.571 CB 1.794 15 residues pruned to eliminate duplicates Z: 42 44.710 2.418 1.002 0.506 0.854 0.610 CB 1.680 42 residues pruned to eliminate duplicates Z: 40 47.562 2.534 0.947 0.575 0.872 0.667 CB 1.647 40 residues pruned to eliminate duplicates Z: 6 2.660 1.616 -0.007 0.311 1.000 0.600 C 0.914 Z: 18 25.267 2.251 0.931 0.483 0.765 0.471 CB 1.875 18 residues pruned to eliminate duplicates Z: 11 16.815 2.312 0.965 0.437 1.000 0.700 CB 1.249 11 residues pruned to eliminate duplicates Z: 6 8.624 1.637 0.653 0.852 1.000 0.800 CB 1.054 6 residues pruned to eliminate duplicates Z: 67 82.513 2.546 1.074 0.601 0.955 0.682 CB 1.830 67 residues pruned to eliminate duplicates Z: 16 15.374 2.350 0.288 0.535 1.000 0.667 CB 1.268 16 residues pruned to eliminate duplicates Z: 128 69.789 2.382 0.971 0.399 0.890 0.638 CB 1.649 128 residues pruned to eliminate duplicates 6 1.367 1.673 -0.452 0.583 0.800 0.600 CB 0.770 ? Z: 7 10.239 2.063 0.439 0.780 0.833 0.667 CB 1.319 7 residues pruned to eliminate duplicates Z: 30 49.885 2.620 0.951 0.595 0.897 0.690 CB 1.846 30 residues pruned to eliminate duplicates Z: 46 62.192 2.498 1.017 0.550 0.978 0.711 CB 1.793 46 residues pruned to eliminate duplicates Z: 47 51.880 2.522 0.908 0.538 0.913 0.587 CB 1.678 47 residues pruned to eliminate duplicates Z: 16 20.860 2.125 0.878 0.395 0.867 0.467 CA 1.740 16 residues pruned to eliminate duplicates Z: 34 14.432 2.041 0.547 0.275 0.788 0.424 CB 1.303 34 residues pruned to eliminate duplicates Z: 23 19.420 2.071 0.956 0.382 0.864 0.409 CB 1.342 23 residues pruned to eliminate duplicates Z: 50 45.925 2.419 1.107 0.434 0.918 0.449 CB 1.501 50 residues pruned to eliminate duplicates Z: 35 38.669 2.534 1.194 0.323 0.912 0.500 CB 1.589 35 residues pruned to eliminate duplicates Z: 18 30.391 2.461 0.930 0.484 1.000 0.588 CB 1.577 18 residues pruned to eliminate duplicates Z: 36 26.146 2.239 1.000 0.335 0.857 0.543 CB 1.380 36 residues pruned to eliminate duplicates Z: 58 53.465 2.544 0.934 0.417 0.930 0.561 CB 1.689 58 residues pruned to eliminate duplicates Z: 13 9.878 1.857 0.672 0.373 0.833 0.417 CB 1.262 13 residues pruned to eliminate duplicates Z: 22 30.457 2.260 1.160 0.472 0.952 0.571 CB 1.470 22 residues pruned to eliminate duplicates Z: 64 50.810 2.468 1.135 0.408 0.857 0.476 CB 1.562 64 residues pruned to eliminate duplicates Z: 44 45.354 2.338 0.920 0.500 0.930 0.674 CB 1.657 44 residues pruned to eliminate duplicates Z: 51 68.763 2.578 1.094 0.538 0.940 0.680 CB 1.846 51 residues pruned to eliminate duplicates Z: 9 7.377 1.714 0.746 0.415 0.875 0.625 CB 1.089 9 residues pruned to eliminate duplicates Z: 73 47.641 2.413 0.894 0.476 0.847 0.569 CB 1.486 73 residues pruned to eliminate duplicates Z: 14 32.092 2.429 0.714 0.787 1.000 0.615 CB 1.661 14 residues pruned to eliminate duplicates Z: 23 49.522 2.609 0.473 0.936 1.000 0.955 CA 1.913 23 residues pruned to eliminate duplicates Z: 11 10.758 1.581 0.675 0.834 0.900 0.500 CB 1.070 11 residues pruned to eliminate duplicates Z: 8 3.964 1.508 0.120 0.447 1.000 1.000 CB 0.936 Z: 27 27.215 2.112 0.678 0.542 0.962 0.654 CB 1.504 27 residues pruned to eliminate duplicates Z: 22 43.072 2.496 0.903 0.626 0.952 0.762 CB 1.845 22 residues pruned to eliminate duplicates Z: 29 20.294 2.081 0.997 0.311 0.857 0.393 CB 1.328 29 residues pruned to eliminate duplicates Z: 66 84.090 2.538 0.968 0.611 0.969 0.769 CB 1.939 66 residues pruned to eliminate duplicates Z: 28 28.607 2.353 1.279 0.321 0.815 0.630 CB 1.535 28 residues pruned to eliminate duplicates Z: 63 73.228 2.555 0.920 0.591 0.952 0.661 CB 1.826 63 residues pruned to eliminate duplicates Z: 35 34.267 2.291 0.915 0.486 0.882 0.647 CB 1.539 35 residues pruned to eliminate duplicates Z: 97 85.356 2.461 1.118 0.537 0.938 0.635 CB 1.718 97 residues pruned to eliminate duplicates Z: 14 32.586 2.233 1.118 0.741 1.000 0.615 CB 1.540 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.181 1.463 1.069 0.258 0.800 0.600 CB 1.018 6 residues pruned to eliminate duplicates Z: 109 100.033 2.562 1.097 0.511 0.954 0.657 CB 1.858 109 residues pruned to eliminate duplicates Z: 50 51.611 2.459 1.079 0.376 0.918 0.653 CB 1.793 50 residues pruned to eliminate duplicates Z: 40 49.614 2.496 1.085 0.392 0.923 0.538 CB 1.854 40 residues pruned to eliminate duplicates Z: 38 52.502 2.505 1.117 0.427 0.946 0.595 CB 1.856 38 residues pruned to eliminate duplicates Z: 40 46.162 2.485 1.025 0.363 0.923 0.564 CB 1.845 40 residues pruned to eliminate duplicates Z: 109 99.590 2.557 1.172 0.502 0.935 0.630 CB 1.841 109 residues pruned to eliminate duplicates Z: 31 40.032 2.424 1.087 0.394 0.900 0.633 CB 1.797 31 residues pruned to eliminate duplicates Z: 40 52.864 2.497 1.147 0.405 0.949 0.564 CB 1.838 40 residues pruned to eliminate duplicates Z: 39 49.205 2.512 1.180 0.384 0.895 0.553 CB 1.843 39 residues pruned to eliminate duplicates Z: 37 58.322 2.546 1.277 0.420 0.944 0.528 CB 1.929 37 residues pruned to eliminate duplicates Z: 108 100.443 2.567 1.148 0.509 0.935 0.654 CB 1.867 108 residues pruned to eliminate duplicates Z: 50 53.291 2.479 1.109 0.387 0.918 0.592 CB 1.787 50 residues pruned to eliminate duplicates Z: 40 51.843 2.490 1.203 0.404 0.897 0.590 CB 1.867 40 residues pruned to eliminate duplicates Z: 48 55.651 2.495 1.149 0.410 0.915 0.596 CB 1.819 48 residues pruned to eliminate duplicates Z: 93 91.690 2.503 1.111 0.560 0.924 0.630 CB 1.847 93 residues pruned to eliminate duplicates Z: 92 86.517 2.488 1.101 0.536 0.923 0.604 CB 1.814 92 residues pruned to eliminate duplicates Z: 39 48.912 2.499 1.166 0.389 0.895 0.553 CB 1.842 39 residues pruned to eliminate duplicates Z: 40 53.474 2.509 1.252 0.384 0.923 0.564 CB 1.857 40 residues pruned to eliminate duplicates Z: 40 51.152 2.494 1.199 0.406 0.897 0.513 CB 1.837 40 residues pruned to eliminate duplicates Z: 49 59.363 2.507 1.236 0.412 0.917 0.542 CB 1.829 49 residues pruned to eliminate duplicates Z: 40 52.849 2.431 1.279 0.411 0.923 0.590 CB 1.817 40 residues pruned to eliminate duplicates Z: 40 51.746 2.496 1.241 0.379 0.923 0.564 CB 1.827 40 residues pruned to eliminate duplicates Z: 39 49.875 2.481 1.283 0.416 0.868 0.553 CB 1.795 39 residues pruned to eliminate duplicates Z: 40 56.430 2.467 1.302 0.414 0.949 0.538 CB 1.836 40 residues pruned to eliminate duplicates Z: 108 100.441 2.577 1.177 0.502 0.935 0.617 CB 1.848 108 residues pruned to eliminate duplicates Z: 50 61.967 2.505 1.272 0.407 0.939 0.612 CB 1.827 50 residues pruned to eliminate duplicates Z: 40 46.692 2.414 1.212 0.421 0.846 0.615 CB 1.796 40 residues pruned to eliminate duplicates Z: 19 25.109 2.201 1.194 0.414 0.889 0.556 CB 1.509 19 residues pruned to eliminate duplicates Z: 14 21.946 2.070 1.204 0.423 0.923 0.385 CB 1.566 14 residues pruned to eliminate duplicates Z: 50 47.148 2.389 1.028 0.408 0.878 0.531 CB 1.745 50 residues pruned to eliminate duplicates Z: 40 51.846 2.500 1.212 0.388 0.897 0.615 CB 1.883 40 residues pruned to eliminate duplicates Z: 110 101.914 2.542 1.184 0.508 0.945 0.679 CB 1.845 110 residues pruned to eliminate duplicates Z: 14 21.189 2.160 1.304 0.411 0.846 0.385 CB 1.531 14 residues pruned to eliminate duplicates Z: 109 98.929 2.556 1.125 0.506 0.917 0.602 CB 1.901 109 residues pruned to eliminate duplicates Z: 50 57.134 2.486 1.158 0.410 0.918 0.490 CB 1.820 50 residues pruned to eliminate duplicates Z: 109 100.782 2.570 1.149 0.516 0.935 0.648 CB 1.848 109 residues pruned to eliminate duplicates Z: 105 96.151 2.537 1.155 0.525 0.933 0.615 CB 1.804 105 residues pruned to eliminate duplicates Z: 70 90.299 2.582 1.215 0.589 0.942 0.725 CB 1.852 70 residues pruned to eliminate duplicates Z: 15 20.104 2.218 0.950 0.395 0.857 0.643 CB 1.621 15 residues pruned to eliminate duplicates Z: 69 86.061 2.565 1.075 0.590 0.956 0.721 CB 1.882 69 residues pruned to eliminate duplicates Z: 9 23.224 2.560 0.806 0.503 1.000 0.750 CB 1.771 9 residues pruned to eliminate duplicates Z: 50 52.079 2.466 1.146 0.391 0.898 0.592 CB 1.758 50 residues pruned to eliminate duplicates Z: 70 91.151 2.589 1.169 0.594 0.957 0.681 CB 1.867 70 residues pruned to eliminate duplicates Z: 70 87.705 2.605 1.080 0.581 0.957 0.681 CB 1.885 70 residues pruned to eliminate duplicates Z: 72 84.413 2.552 1.065 0.570 0.944 0.648 CB 1.883 72 residues pruned to eliminate duplicates Z: 69 87.868 2.603 1.121 0.595 0.941 0.750 CB 1.872 69 residues pruned to eliminate duplicates Z: 109 102.255 2.553 1.165 0.520 0.935 0.630 CB 1.867 109 residues pruned to eliminate duplicates Z: 69 93.954 2.605 1.094 0.616 0.971 0.735 CB 1.928 69 residues pruned to eliminate duplicates Z: 70 88.984 2.601 1.134 0.578 0.957 0.652 CB 1.871 70 residues pruned to eliminate duplicates Z: 109 102.107 2.566 1.157 0.510 0.944 0.676 CB 1.861 109 residues pruned to eliminate duplicates Z: 70 86.142 2.587 1.071 0.593 0.942 0.725 CB 1.880 70 residues pruned to eliminate duplicates Z: 71 85.014 2.574 1.098 0.581 0.957 0.643 CB 1.820 71 residues pruned to eliminate duplicates Z: 69 86.153 2.597 1.088 0.595 0.941 0.706 CB 1.869 69 residues pruned to eliminate duplicates Z: 109 97.462 2.537 1.133 0.511 0.926 0.639 CB 1.851 109 residues pruned to eliminate duplicates Z: 70 85.378 2.595 1.134 0.578 0.913 0.768 CB 1.887 70 residues pruned to eliminate duplicates Z: 105 100.773 2.576 1.150 0.539 0.923 0.721 CB 1.861 105 residues pruned to eliminate duplicates Z: 69 87.881 2.562 1.100 0.595 0.971 0.647 CB 1.863 69 residues pruned to eliminate duplicates Z: 63 89.915 2.602 1.115 0.626 0.968 0.726 CB 1.903 63 residues pruned to eliminate duplicates Z: 70 87.619 2.594 1.109 0.585 0.942 0.652 CB 1.886 70 residues pruned to eliminate duplicates Z: 69 91.814 2.606 1.134 0.589 0.971 0.647 CB 1.894 69 residues pruned to eliminate duplicates Z: 71 81.909 2.555 1.117 0.560 0.943 0.671 CB 1.812 71 residues pruned to eliminate duplicates Z: 71 84.655 2.556 1.058 0.581 0.957 0.671 CB 1.859 71 residues pruned to eliminate duplicates Z: 69 92.318 2.604 1.133 0.600 0.971 0.735 CB 1.889 69 residues pruned to eliminate duplicates Z: 111 77.848 2.371 1.001 0.529 0.927 0.627 CB 1.639 111 residues pruned to eliminate duplicates Z: 109 94.806 2.544 1.086 0.498 0.917 0.648 CB 1.880 109 residues pruned to eliminate duplicates Z: 70 79.269 2.568 0.980 0.572 0.928 0.725 CB 1.889 70 residues pruned to eliminate duplicates Z: 71 86.819 2.549 1.189 0.569 0.943 0.600 CB 1.845 71 residues pruned to eliminate duplicates Z: 108 101.504 2.569 1.124 0.513 0.944 0.701 CB 1.880 108 residues pruned to eliminate duplicates Z: 70 91.205 2.587 1.101 0.591 0.957 0.696 CB 1.935 70 residues pruned to eliminate duplicates Z: 108 96.675 2.537 1.110 0.519 0.925 0.654 CB 1.853 108 residues pruned to eliminate duplicates Z: 69 93.265 2.601 1.122 0.588 0.985 0.706 CB 1.912 69 residues pruned to eliminate duplicates Z: 70 85.543 2.587 1.113 0.578 0.942 0.739 CB 1.854 70 residues pruned to eliminate duplicates Z: 60 91.319 2.619 1.116 0.635 0.966 0.712 CB 1.957 60 residues pruned to eliminate duplicates Z: 69 88.900 2.612 1.139 0.597 0.941 0.735 CB 1.868 69 residues pruned to eliminate duplicates Z: 70 91.173 2.586 1.130 0.592 0.971 0.710 CB 1.878 70 residues pruned to eliminate duplicates Z: 68 92.633 2.606 1.101 0.600 0.985 0.746 CB 1.907 68 residues pruned to eliminate duplicates Z: 70 89.302 2.582 1.122 0.589 0.942 0.739 CB 1.913 70 residues pruned to eliminate duplicates Z: 69 88.964 2.601 1.086 0.585 0.971 0.706 CB 1.887 69 residues pruned to eliminate duplicates Z: 65 92.420 2.610 1.088 0.628 0.953 0.703 CB 1.972 65 residues pruned to eliminate duplicates Z: 108 98.070 2.563 1.057 0.531 0.953 0.664 CB 1.830 108 residues pruned to eliminate duplicates Z: 70 85.465 2.589 1.114 0.588 0.942 0.754 CB 1.835 70 residues pruned to eliminate duplicates Z: 71 85.325 2.565 1.064 0.577 0.943 0.686 CB 1.897 71 residues pruned to eliminate duplicates Z: 82 88.208 2.537 1.063 0.569 0.951 0.605 CB 1.843 82 residues pruned to eliminate duplicates Z: 69 87.800 2.614 1.076 0.594 0.956 0.721 CB 1.876 69 residues pruned to eliminate duplicates Z: 109 102.354 2.559 1.188 0.523 0.944 0.657 CB 1.821 109 residues pruned to eliminate duplicates Z: 70 87.203 2.589 1.128 0.579 0.957 0.754 CB 1.846 70 residues pruned to eliminate duplicates Z: 108 100.980 2.540 1.194 0.522 0.925 0.636 CB 1.853 108 residues pruned to eliminate duplicates Z: 69 90.755 2.604 1.199 0.602 0.956 0.735 CB 1.824 69 residues pruned to eliminate duplicates Z: 70 89.275 2.573 1.139 0.592 0.957 0.739 CB 1.869 70 residues pruned to eliminate duplicates Z: 69 88.644 2.621 1.112 0.599 0.941 0.691 CB 1.878 69 residues pruned to eliminate duplicates Z: 109 101.649 2.558 1.176 0.513 0.935 0.630 CB 1.854 109 residues pruned to eliminate duplicates Z: 70 91.156 2.560 1.146 0.586 0.971 0.638 CB 1.894 70 residues pruned to eliminate duplicates Z: 71 87.391 2.565 1.130 0.577 0.971 0.671 CB 1.828 71 residues pruned to eliminate duplicates Z: 108 98.033 2.566 1.166 0.509 0.916 0.551 CB 1.846 108 residues pruned to eliminate duplicates Z: 109 97.718 2.561 1.106 0.516 0.935 0.639 CB 1.835 109 residues pruned to eliminate duplicates Z: 109 100.317 2.566 1.172 0.520 0.926 0.630 CB 1.833 109 residues pruned to eliminate duplicates Z: 79 93.455 2.574 1.123 0.585 0.962 0.667 CB 1.857 79 residues pruned to eliminate duplicates Z: 109 100.511 2.541 1.196 0.513 0.926 0.667 CB 1.848 109 residues pruned to eliminate duplicates Z: 109 94.592 2.546 1.106 0.520 0.907 0.667 CB 1.833 109 residues pruned to eliminate duplicates Z: 70 80.235 2.546 1.064 0.573 0.928 0.681 CB 1.847 70 residues pruned to eliminate duplicates Z: 109 99.691 2.534 1.171 0.517 0.944 0.657 CB 1.815 109 residues pruned to eliminate duplicates Z: 9 5.801 1.706 0.750 0.238 0.625 0.125 CB 1.489 Z: 6 6.367 2.055 0.389 0.347 1.000 0.800 CB 1.178 6 residues pruned to eliminate duplicates Z: 51 50.220 2.478 0.899 0.507 0.920 0.640 CB 1.629 51 residues pruned to eliminate duplicates Z: 53 48.344 2.491 0.949 0.515 0.846 0.654 CB 1.608 62 residues pruned to eliminate duplicates Z: 50 53.823 2.502 0.997 0.532 0.878 0.612 CB 1.699 50 residues pruned to eliminate duplicates Z: 52 45.803 2.458 0.925 0.498 0.882 0.588 CB 1.540 52 residues pruned to eliminate duplicates Z: 29 49.703 2.615 1.049 0.563 0.964 0.679 CB 1.710 29 residues pruned to eliminate duplicates Z: 50 45.204 2.413 0.988 0.503 0.857 0.612 CB 1.566 50 residues pruned to eliminate duplicates Z: 72 60.116 2.458 0.994 0.513 0.887 0.620 CB 1.619 72 residues pruned to eliminate duplicates Z: 95 95.751 2.625 1.016 0.579 0.926 0.723 CB 1.868 95 residues pruned to eliminate duplicates Z: 47 45.002 2.460 0.969 0.486 0.870 0.587 CB 1.598 47 residues pruned to eliminate duplicates Z: 50 56.031 2.501 1.011 0.525 0.918 0.612 CB 1.691 50 residues pruned to eliminate duplicates Z: 121 97.879 2.526 1.055 0.554 0.917 0.608 CB 1.781 121 residues pruned to eliminate duplicates Z: 96 57.924 2.344 0.997 0.425 0.895 0.505 CB 1.534 96 residues pruned to eliminate duplicates Z: 157 102.827 2.529 1.080 0.513 0.878 0.615 CB 1.759 157 residues pruned to eliminate duplicates Z: 56 46.694 2.408 0.999 0.490 0.836 0.636 CB 1.580 56 residues pruned to eliminate duplicates Z: 53 50.385 2.471 0.927 0.507 0.885 0.654 CB 1.647 53 residues pruned to eliminate duplicates Z: 54 45.018 2.421 0.989 0.484 0.830 0.547 CB 1.572 54 residues pruned to eliminate duplicates Z: 115 66.555 2.369 1.006 0.450 0.904 0.570 CB 1.527 115 residues pruned to eliminate duplicates Z: 7 5.369 1.822 0.547 0.326 0.833 0.167 CB 1.130 7 residues pruned to eliminate duplicates Z: 60 40.509 2.376 0.847 0.417 0.847 0.576 CB 1.546 60 residues pruned to eliminate duplicates Z: 109 94.800 2.512 1.137 0.576 0.917 0.676 CB 1.722 109 residues pruned to eliminate duplicates Z: 68 55.979 2.475 0.989 0.469 0.866 0.582 CB 1.656 68 residues pruned to eliminate duplicates Z: 51 52.429 2.521 1.009 0.522 0.880 0.600 CB 1.628 51 residues pruned to eliminate duplicates Z: 72 54.147 2.434 1.061 0.450 0.873 0.606 CB 1.545 72 residues pruned to eliminate duplicates Z: 119 95.814 2.543 1.013 0.552 0.932 0.661 CB 1.756 119 residues pruned to eliminate duplicates Z: 51 53.767 2.514 1.001 0.532 0.860 0.680 CB 1.703 51 residues pruned to eliminate duplicates Z: 61 57.333 2.487 1.082 0.497 0.867 0.633 CB 1.654 61 residues pruned to eliminate duplicates Z: 50 52.550 2.503 1.016 0.535 0.878 0.653 CB 1.638 50 residues pruned to eliminate duplicates Z: 55 34.891 2.293 0.837 0.417 0.815 0.556 CB 1.509 55 residues pruned to eliminate duplicates Z: 52 39.019 2.339 0.976 0.407 0.843 0.451 CB 1.546 52 residues pruned to eliminate duplicates Z: 70 45.601 2.356 0.898 0.443 0.870 0.420 CB 1.497 70 residues pruned to eliminate duplicates Z: 66 36.151 2.297 0.776 0.382 0.831 0.508 CB 1.500 66 residues pruned to eliminate duplicates Z: 52 48.913 2.411 1.030 0.526 0.902 0.627 CB 1.513 52 residues pruned to eliminate duplicates Z: 51 51.656 2.464 1.003 0.533 0.880 0.620 CB 1.628 51 residues pruned to eliminate duplicates Z: 156 112.904 2.550 1.109 0.521 0.923 0.665 CB 1.790 156 residues pruned to eliminate duplicates Z: 170 108.892 2.519 1.058 0.502 0.917 0.645 CB 1.757 170 residues pruned to eliminate duplicates Z: 115 66.551 2.362 1.063 0.462 0.886 0.570 CB 1.500 109 residues pruned to eliminate duplicates Z: 9 9.798 1.902 0.502 0.462 1.000 0.375 CB 1.261 9 residues pruned to eliminate duplicates Z: 101 63.728 2.409 0.953 0.479 0.890 0.540 CB 1.555 101 residues pruned to eliminate duplicates Z: 130 103.465 2.520 1.108 0.546 0.938 0.659 CB 1.747 130 residues pruned to eliminate duplicates Z: 55 46.536 2.403 1.048 0.493 0.852 0.574 CB 1.521 55 residues pruned to eliminate duplicates Z: 55 33.448 2.169 0.829 0.398 0.852 0.574 CB 1.500 55 residues pruned to eliminate duplicates Z: 51 33.696 2.272 0.912 0.418 0.800 0.580 CB 1.494 51 residues pruned to eliminate duplicates Z: 115 65.500 2.344 1.020 0.462 0.877 0.553 CB 1.535 115 residues pruned to eliminate duplicates Z: 19 14.548 2.183 0.977 0.368 0.722 0.389 CB 1.267 19 residues pruned to eliminate duplicates Z: 66 44.109 2.331 1.036 0.445 0.831 0.569 CB 1.468 66 residues pruned to eliminate duplicates Z: 112 68.238 2.365 1.003 0.482 0.910 0.532 CB 1.531 112 residues pruned to eliminate duplicates Z: 93 56.322 2.420 0.968 0.415 0.870 0.554 CB 1.549 93 residues pruned to eliminate duplicates Z: 13 15.492 2.254 0.736 0.376 0.833 0.583 CB 1.566 13 residues pruned to eliminate duplicates Z: 65 52.028 2.387 0.987 0.521 0.844 0.547 CB 1.591 65 residues pruned to eliminate duplicates Z: 15 14.214 2.175 0.819 0.299 0.786 0.429 CA 1.529 15 residues pruned to eliminate duplicates Z: 28 27.294 2.282 1.000 0.350 0.889 0.481 CB 1.523 28 residues pruned to eliminate duplicates Z: 15 13.383 2.133 0.716 0.326 0.786 0.429 CB 1.506 15 residues pruned to eliminate duplicates Z: 24 18.505 2.165 0.951 0.311 0.783 0.565 CB 1.440 24 residues pruned to eliminate duplicates Z: 23 24.399 2.233 1.031 0.317 0.909 0.455 CB 1.544 23 residues pruned to eliminate duplicates Z: 13 15.738 2.244 0.810 0.354 0.917 0.583 CB 1.428 13 residues pruned to eliminate duplicates Z: 28 24.860 2.311 0.931 0.354 0.852 0.519 CB 1.473 28 residues pruned to eliminate duplicates Z: 50 40.441 2.250 1.118 0.421 0.898 0.449 CB 1.466 50 residues pruned to eliminate duplicates Z: 15 17.091 2.150 1.026 0.309 0.857 0.429 CB 1.512 15 residues pruned to eliminate duplicates Z: 29 19.781 2.091 0.926 0.291 0.857 0.429 CB 1.369 29 residues pruned to eliminate duplicates Z: 117 66.382 2.381 1.041 0.469 0.862 0.560 CB 1.519 117 residues pruned to eliminate duplicates Z: 65 40.915 2.255 1.021 0.410 0.875 0.500 CB 1.409 65 residues pruned to eliminate duplicates Z: 7 5.417 1.978 1.315 0.145 0.667 0.500 CA 1.123 7 residues pruned to eliminate duplicates Z: 184 111.245 2.507 1.091 0.491 0.923 0.607 CB 1.715 184 residues pruned to eliminate duplicates Z: 28 19.750 2.200 0.742 0.347 0.852 0.407 CB 1.375 28 residues pruned to eliminate duplicates Z: 110 59.374 2.353 1.016 0.448 0.853 0.495 CB 1.483 111 residues pruned to eliminate duplicates Z: 6 5.893 1.714 0.828 0.454 1.000 0.600 CB 0.882 6 residues pruned to eliminate duplicates Z: 29 22.376 2.250 0.960 0.311 0.821 0.536 CB 1.439 29 residues pruned to eliminate duplicates Z: 183 111.150 2.502 1.115 0.488 0.918 0.615 CB 1.718 183 residues pruned to eliminate duplicates Z: 50 35.567 2.253 0.912 0.412 0.878 0.571 CB 1.473 50 residues pruned to eliminate duplicates Z: 28 23.193 2.292 0.906 0.308 0.852 0.407 CB 1.485 28 residues pruned to eliminate duplicates Z: 59 38.255 2.242 1.026 0.406 0.862 0.500 CB 1.416 59 residues pruned to eliminate duplicates Z: 16 16.398 2.304 1.028 0.368 0.733 0.400 CB 1.423 16 residues pruned to eliminate duplicates Z: 52 39.136 2.262 1.023 0.441 0.882 0.529 CB 1.443 52 residues pruned to eliminate duplicates Z: 6 5.310 2.181 0.988 0.188 0.800 0.400 CB 0.995 6 residues pruned to eliminate duplicates Z: 42 32.538 2.202 1.064 0.463 0.902 0.585 CB 1.286 42 residues pruned to eliminate duplicates Z: 39 30.344 2.230 1.157 0.428 0.868 0.421 CB 1.270 39 residues pruned to eliminate duplicates Z: 25 28.260 2.085 1.179 0.515 0.917 0.417 CB 1.366 25 residues pruned to eliminate duplicates Z: 51 38.017 2.257 1.082 0.445 0.860 0.480 CB 1.407 51 residues pruned to eliminate duplicates Z: 97 51.368 2.273 0.972 0.424 0.865 0.531 CB 1.463 97 residues pruned to eliminate duplicates Z: 23 34.652 2.233 1.219 0.572 1.000 0.318 CB 1.391 23 residues pruned to eliminate duplicates Z: 45 31.090 2.111 1.015 0.451 0.864 0.636 CB 1.342 45 residues pruned to eliminate duplicates Z: 23 17.048 2.018 0.961 0.465 0.818 0.455 CB 1.163 23 residues pruned to eliminate duplicates Z: 61 39.594 2.178 1.095 0.405 0.867 0.550 CB 1.428 61 residues pruned to eliminate duplicates Z: 52 37.619 2.207 1.029 0.433 0.882 0.490 CB 1.429 52 residues pruned to eliminate duplicates Z: 24 29.922 2.144 1.201 0.528 0.957 0.522 CB 1.345 24 residues pruned to eliminate duplicates Z: 53 34.253 2.199 0.961 0.394 0.885 0.481 CB 1.392 53 residues pruned to eliminate duplicates Z: 39 25.850 2.160 0.925 0.449 0.842 0.500 CB 1.262 39 residues pruned to eliminate duplicates Z: 26 31.994 2.223 0.946 0.512 0.920 0.480 CB 1.588 26 residues pruned to eliminate duplicates Z: 65 44.119 2.270 1.035 0.405 0.906 0.531 CB 1.455 65 residues pruned to eliminate duplicates Z: 36 37.567 2.235 1.095 0.500 0.943 0.486 CB 1.438 36 residues pruned to eliminate duplicates Z: 38 29.091 2.146 0.970 0.450 0.865 0.541 CB 1.377 38 residues pruned to eliminate duplicates Z: 25 26.863 2.096 1.150 0.528 0.875 0.583 CB 1.352 25 residues pruned to eliminate duplicates Z: 25 36.601 2.304 1.034 0.558 0.917 0.667 CB 1.643 25 residues pruned to eliminate duplicates Z: 11 35.286 2.245 1.190 0.817 1.000 0.700 CB 1.723 11 residues pruned to eliminate duplicates Z: 179 100.990 2.451 1.056 0.499 0.921 0.624 CB 1.632 179 residues pruned to eliminate duplicates Z: 43 34.731 2.240 0.991 0.454 0.905 0.571 CB 1.392 43 residues pruned to eliminate duplicates Z: 41 31.732 2.117 1.054 0.464 0.875 0.475 CB 1.368 41 residues pruned to eliminate duplicates Z: 37 38.618 2.239 1.205 0.487 0.889 0.472 CB 1.487 37 residues pruned to eliminate duplicates Z: 6 7.407 1.781 0.525 0.374 1.000 0.600 C 1.395 6 residues pruned to eliminate duplicates Z: 15 18.120 2.186 0.972 0.389 0.857 0.643 CB 1.475 15 residues pruned to eliminate duplicates Z: 14 20.379 2.287 1.010 0.431 0.846 0.615 CB 1.561 14 residues pruned to eliminate duplicates Z: 38 33.724 2.183 1.120 0.470 0.892 0.595 CB 1.385 38 residues pruned to eliminate duplicates Z: 14 21.389 2.190 0.968 0.447 0.923 0.692 CB 1.575 14 residues pruned to eliminate duplicates Z: 14 19.157 2.225 0.963 0.499 0.846 0.615 CB 1.440 14 residues pruned to eliminate duplicates Z: 98 54.088 2.305 0.924 0.427 0.907 0.557 CB 1.473 98 residues pruned to eliminate duplicates Z: 35 35.174 2.226 0.984 0.549 0.912 0.500 CB 1.428 35 residues pruned to eliminate duplicates Z: 25 37.035 2.284 1.071 0.576 0.958 0.542 CB 1.550 25 residues pruned to eliminate duplicates Z: 7 4.936 1.328 1.061 0.365 0.833 0.667 O 1.022 4 residues pruned to eliminate duplicates Z: 6 6.367 1.801 0.983 0.317 1.000 0.600 CB 0.976 6 residues pruned to eliminate duplicates Z: 108 87.386 2.509 0.997 0.500 0.953 0.617 CB 1.769 108 residues pruned to eliminate duplicates Z: 48 50.138 2.430 1.135 0.398 0.936 0.638 CB 1.677 48 residues pruned to eliminate duplicates Z: 108 78.790 2.490 0.983 0.462 0.907 0.589 CB 1.768 108 residues pruned to eliminate duplicates Z: 40 41.707 2.411 1.098 0.407 0.872 0.538 CB 1.670 40 residues pruned to eliminate duplicates Z: 107 88.819 2.531 0.925 0.528 0.962 0.689 CB 1.790 107 residues pruned to eliminate duplicates Z: 108 89.379 2.517 0.975 0.511 0.944 0.664 CB 1.821 108 residues pruned to eliminate duplicates Z: 35 45.759 2.482 1.198 0.399 0.912 0.618 CB 1.755 35 residues pruned to eliminate duplicates Z: 108 88.566 2.490 1.034 0.524 0.925 0.645 CB 1.785 108 residues pruned to eliminate duplicates Z: 108 91.388 2.513 0.960 0.528 0.953 0.673 CB 1.832 108 residues pruned to eliminate duplicates Z: 110 88.444 2.485 0.966 0.520 0.954 0.706 CB 1.782 110 residues pruned to eliminate duplicates Z: 36 34.424 2.396 1.001 0.360 0.857 0.600 CB 1.646 36 residues pruned to eliminate duplicates Z: 110 85.946 2.498 1.005 0.499 0.936 0.651 CB 1.758 110 residues pruned to eliminate duplicates Z: 108 92.090 2.525 1.011 0.525 0.963 0.654 CB 1.778 108 residues pruned to eliminate duplicates Z: 50 49.805 2.423 1.167 0.391 0.898 0.592 CB 1.694 50 residues pruned to eliminate duplicates Z: 47 48.279 2.443 1.025 0.394 0.935 0.587 CB 1.721 47 residues pruned to eliminate duplicates Z: 108 91.666 2.517 1.023 0.522 0.935 0.701 CB 1.823 108 residues pruned to eliminate duplicates Z: 49 47.183 2.413 1.024 0.410 0.896 0.604 CB 1.711 49 residues pruned to eliminate duplicates Z: 49 50.817 2.418 1.133 0.429 0.917 0.604 CB 1.670 49 residues pruned to eliminate duplicates Z: 36 40.641 2.469 1.049 0.375 0.914 0.686 CB 1.699 36 residues pruned to eliminate duplicates Z: 109 88.285 2.525 1.011 0.512 0.944 0.713 CB 1.750 109 residues pruned to eliminate duplicates Z: 108 93.182 2.501 1.082 0.522 0.953 0.654 CB 1.777 108 residues pruned to eliminate duplicates Z: 38 46.414 2.451 1.121 0.409 0.946 0.568 CB 1.707 38 residues pruned to eliminate duplicates Z: 108 90.154 2.510 1.046 0.513 0.935 0.682 CB 1.793 108 residues pruned to eliminate duplicates Z: 23 26.294 2.241 1.218 0.423 0.864 0.591 CB 1.415 23 residues pruned to eliminate duplicates Z: 23 34.102 2.311 1.189 0.434 0.955 0.591 CB 1.613 23 residues pruned to eliminate duplicates Z: 107 90.796 2.571 0.972 0.555 0.934 0.660 CB 1.766 107 residues pruned to eliminate duplicates Z: 106 88.730 2.497 1.117 0.491 0.924 0.657 CB 1.789 106 residues pruned to eliminate duplicates Z: 108 85.113 2.509 0.996 0.507 0.925 0.617 CB 1.765 108 residues pruned to eliminate duplicates Z: 109 90.344 2.505 1.006 0.532 0.935 0.639 CB 1.793 109 residues pruned to eliminate duplicates Z: 109 89.120 2.514 1.067 0.499 0.935 0.630 CB 1.768 109 residues pruned to eliminate duplicates Z: 108 86.019 2.536 0.993 0.508 0.925 0.607 CB 1.765 108 residues pruned to eliminate duplicates Z: 108 88.662 2.513 1.019 0.526 0.925 0.636 CB 1.780 108 residues pruned to eliminate duplicates Z: 109 86.424 2.512 0.972 0.516 0.935 0.704 CB 1.766 109 residues pruned to eliminate duplicates Z: 48 48.469 2.412 1.012 0.421 0.936 0.660 CB 1.688 48 residues pruned to eliminate duplicates Z: 70 80.467 2.555 1.031 0.587 0.942 0.652 CB 1.824 70 residues pruned to eliminate duplicates Z: 107 86.566 2.491 1.031 0.493 0.953 0.613 CB 1.756 107 residues pruned to eliminate duplicates Z: 107 90.051 2.544 1.033 0.558 0.906 0.679 CB 1.765 107 residues pruned to eliminate duplicates Z: 108 88.392 2.487 1.046 0.513 0.953 0.673 CB 1.740 108 residues pruned to eliminate duplicates Z: 108 88.049 2.516 0.979 0.523 0.925 0.654 CB 1.807 108 residues pruned to eliminate duplicates Z: 82 82.678 2.519 0.978 0.567 0.975 0.617 CB 1.771 82 residues pruned to eliminate duplicates Z: 69 81.847 2.575 0.991 0.598 0.956 0.779 CB 1.844 69 residues pruned to eliminate duplicates Z: 109 93.545 2.513 1.142 0.516 0.935 0.639 CB 1.760 109 residues pruned to eliminate duplicates Z: 108 91.405 2.509 1.059 0.522 0.953 0.636 CB 1.755 108 residues pruned to eliminate duplicates Z: 83 76.043 2.496 0.905 0.558 0.963 0.695 CB 1.732 83 residues pruned to eliminate duplicates Z: 84 73.781 2.483 0.947 0.535 0.940 0.614 CB 1.722 84 residues pruned to eliminate duplicates Z: 109 83.905 2.470 1.016 0.500 0.926 0.685 CB 1.751 109 residues pruned to eliminate duplicates Z: 108 87.332 2.513 0.981 0.521 0.916 0.682 CB 1.814 108 residues pruned to eliminate duplicates Z: 134 98.685 2.538 1.017 0.521 0.925 0.654 CB 1.770 134 residues pruned to eliminate duplicates Z: 108 89.208 2.529 1.025 0.520 0.935 0.692 CB 1.765 108 residues pruned to eliminate duplicates Z: 110 92.182 2.494 1.073 0.516 0.945 0.661 CB 1.778 110 residues pruned to eliminate duplicates Z: 70 80.620 2.573 1.038 0.581 0.942 0.710 CB 1.818 70 residues pruned to eliminate duplicates Z: 108 89.996 2.511 1.051 0.497 0.953 0.654 CB 1.778 108 residues pruned to eliminate duplicates Z: 73 70.100 2.514 0.889 0.546 0.931 0.625 CB 1.787 73 residues pruned to eliminate duplicates Z: 72 75.564 2.512 0.902 0.561 0.972 0.690 CB 1.821 72 residues pruned to eliminate duplicates Z: 109 93.598 2.524 1.133 0.503 0.944 0.593 CB 1.766 109 residues pruned to eliminate duplicates Z: 82 82.599 2.521 1.048 0.555 0.951 0.704 CB 1.772 82 residues pruned to eliminate duplicates Z: 82 75.618 2.489 0.975 0.546 0.938 0.642 CB 1.741 82 residues pruned to eliminate duplicates Z: 70 83.985 2.571 1.140 0.602 0.928 0.696 CB 1.798 70 residues pruned to eliminate duplicates Z: 109 92.196 2.503 1.069 0.521 0.954 0.565 CB 1.759 109 residues pruned to eliminate duplicates Z: 108 87.889 2.517 1.026 0.505 0.944 0.664 CB 1.756 108 residues pruned to eliminate duplicates Z: 110 88.833 2.506 1.020 0.516 0.936 0.642 CB 1.768 110 residues pruned to eliminate duplicates Z: 109 93.688 2.509 1.129 0.513 0.935 0.676 CB 1.782 110 residues pruned to eliminate duplicates Z: 26 48.239 2.536 0.648 0.790 0.960 0.800 CA 1.864 26 residues pruned to eliminate duplicates Z: 74 77.162 2.512 0.986 0.544 0.932 0.726 CB 1.863 74 residues pruned to eliminate duplicates Z: 109 89.433 2.522 1.092 0.497 0.935 0.611 CB 1.749 109 residues pruned to eliminate duplicates Z: 108 75.076 2.486 0.859 0.501 0.897 0.654 CB 1.749 108 residues pruned to eliminate duplicates Z: 73 77.352 2.520 0.951 0.551 0.972 0.639 CB 1.815 73 residues pruned to eliminate duplicates Z: 69 82.432 2.582 0.968 0.586 0.971 0.765 CB 1.866 69 residues pruned to eliminate duplicates Z: 108 93.926 2.561 1.071 0.561 0.907 0.654 CB 1.779 108 residues pruned to eliminate duplicates Z: 108 95.951 2.517 1.117 0.524 0.944 0.636 CB 1.802 109 residues pruned to eliminate duplicates Z: 24 60.083 2.545 0.833 0.910 1.000 0.826 CB 1.904 24 residues pruned to eliminate duplicates Z: 107 95.978 2.528 1.092 0.530 0.953 0.717 CB 1.796 107 residues pruned to eliminate duplicates Z: 107 96.077 2.528 1.123 0.529 0.943 0.651 CB 1.791 107 residues pruned to eliminate duplicates Z: 69 85.407 2.574 1.043 0.601 0.956 0.721 CB 1.871 69 residues pruned to eliminate duplicates Z: 89 86.548 2.479 1.106 0.552 0.943 0.682 CB 1.781 89 residues pruned to eliminate duplicates Z: 82 85.125 2.523 1.089 0.573 0.951 0.667 CB 1.759 82 residues pruned to eliminate duplicates Z: 71 83.143 2.543 1.092 0.580 0.943 0.657 CB 1.834 71 residues pruned to eliminate duplicates Z: 109 93.948 2.527 1.100 0.517 0.935 0.667 CB 1.791 109 residues pruned to eliminate duplicates Z: 71 80.091 2.547 1.112 0.559 0.943 0.714 CB 1.782 71 residues pruned to eliminate duplicates Z: 109 89.569 2.519 1.077 0.505 0.926 0.694 CB 1.770 109 residues pruned to eliminate duplicates Z: 106 94.161 2.538 1.085 0.531 0.952 0.724 CB 1.769 106 residues pruned to eliminate duplicates Z: 82 89.354 2.517 1.116 0.583 0.963 0.642 CB 1.788 82 residues pruned to eliminate duplicates Z: 82 79.644 2.518 1.059 0.547 0.938 0.667 CB 1.736 82 residues pruned to eliminate duplicates Z: 108 90.342 2.533 1.051 0.518 0.953 0.654 CB 1.732 108 residues pruned to eliminate duplicates Z: 25 71.633 2.653 1.158 0.831 1.000 0.583 CB 1.918 25 residues pruned to eliminate duplicates Z: 82 83.808 2.498 1.052 0.561 0.951 0.630 CB 1.801 82 residues pruned to eliminate duplicates Z: 82 85.534 2.491 1.091 0.557 0.951 0.679 CB 1.816 82 residues pruned to eliminate duplicates Z: 69 82.630 2.587 1.084 0.589 0.956 0.676 CB 1.787 69 residues pruned to eliminate duplicates Z: 71 86.928 2.550 1.156 0.584 0.957 0.686 CB 1.822 71 residues pruned to eliminate duplicates Z: 110 87.966 2.475 1.031 0.516 0.936 0.633 CB 1.762 108 residues pruned to eliminate duplicates Z: 6 7.921 1.813 1.294 0.405 1.000 0.400 CB 0.941 6 residues pruned to eliminate duplicates Z: 108 89.307 2.506 1.062 0.499 0.944 0.710 CB 1.771 108 residues pruned to eliminate duplicates Z: 134 102.080 2.549 1.088 0.514 0.925 0.662 CB 1.773 134 residues pruned to eliminate duplicates Z: 135 96.606 2.528 1.034 0.517 0.918 0.657 CB 1.740 135 residues pruned to eliminate duplicates Z: 118 90.219 2.528 1.006 0.543 0.897 0.650 CB 1.758 118 residues pruned to eliminate duplicates Z: 118 102.401 2.582 1.062 0.551 0.932 0.632 CB 1.815 118 residues pruned to eliminate duplicates Z: 78 70.565 2.585 1.114 0.474 0.857 0.662 CB 1.763 78 residues pruned to eliminate duplicates Z: 27 52.134 2.718 1.084 0.574 0.923 0.654 CB 1.820 27 residues pruned to eliminate duplicates Z: 26 50.387 2.745 1.129 0.569 0.880 0.680 CB 1.834 26 residues pruned to eliminate duplicates Z: 28 44.142 2.623 1.021 0.560 0.889 0.593 CB 1.700 28 residues pruned to eliminate duplicates Z: 26 48.850 2.740 1.116 0.552 0.880 0.640 CB 1.820 26 residues pruned to eliminate duplicates Z: 65 57.154 2.579 0.958 0.468 0.859 0.656 CB 1.700 65 residues pruned to eliminate duplicates Z: 29 49.660 2.672 0.964 0.562 0.929 0.643 CB 1.814 29 residues pruned to eliminate duplicates Z: 193 110.521 2.536 1.064 0.501 0.901 0.594 CB 1.690 193 residues pruned to eliminate duplicates Z: 134 101.865 2.558 1.056 0.522 0.940 0.654 CB 1.749 134 residues pruned to eliminate duplicates Z: 80 66.243 2.543 1.033 0.478 0.911 0.557 CB 1.617 80 residues pruned to eliminate duplicates Z: 209 116.314 2.529 1.090 0.481 0.909 0.620 CB 1.710 209 residues pruned to eliminate duplicates Z: 96 96.307 2.596 1.086 0.575 0.947 0.663 CB 1.791 96 residues pruned to eliminate duplicates Z: 156 108.449 2.529 1.071 0.526 0.923 0.710 CB 1.756 158 residues pruned to eliminate duplicates Z: 15 54.373 2.724 1.507 0.805 0.929 0.571 CB 1.756 15 residues pruned to eliminate duplicates Z: 108 78.656 2.543 1.128 0.487 0.869 0.589 CB 1.638 108 residues pruned to eliminate duplicates Z: 47 54.964 2.557 1.014 0.509 0.891 0.587 CB 1.751 47 residues pruned to eliminate duplicates Z: 81 61.163 2.490 0.973 0.444 0.887 0.575 CB 1.662 81 residues pruned to eliminate duplicates Z: 51 59.214 2.655 0.989 0.530 0.860 0.660 CB 1.790 51 residues pruned to eliminate duplicates Z: 78 69.726 2.578 1.101 0.472 0.896 0.558 CB 1.685 78 residues pruned to eliminate duplicates Z: 87 59.138 2.509 0.984 0.429 0.837 0.512 CB 1.647 87 residues pruned to eliminate duplicates Z: 84 63.197 2.519 0.975 0.431 0.892 0.518 CB 1.680 84 residues pruned to eliminate duplicates Z: 53 60.240 2.632 1.058 0.491 0.885 0.654 CB 1.759 53 residues pruned to eliminate duplicates Z: 78 65.318 2.568 1.061 0.461 0.883 0.610 CB 1.658 78 residues pruned to eliminate duplicates Z: 61 49.842 2.540 0.947 0.409 0.883 0.600 CB 1.620 61 residues pruned to eliminate duplicates Z: 113 75.169 2.558 1.051 0.454 0.857 0.545 CB 1.655 113 residues pruned to eliminate duplicates Z: 62 62.651 2.561 1.107 0.526 0.852 0.639 CB 1.700 62 residues pruned to eliminate duplicates Z: 55 60.156 2.511 1.067 0.494 0.907 0.611 CB 1.749 55 residues pruned to eliminate duplicates Z: 92 60.045 2.463 1.027 0.444 0.846 0.593 CB 1.579 92 residues pruned to eliminate duplicates Z: 51 58.929 2.538 1.175 0.536 0.860 0.640 CB 1.695 51 residues pruned to eliminate duplicates Z: 169 105.688 2.532 1.006 0.501 0.911 0.667 CB 1.760 169 residues pruned to eliminate duplicates Z: 40 61.315 2.641 1.144 0.573 0.923 0.641 CB 1.751 40 residues pruned to eliminate duplicates Z: 194 109.251 2.502 1.054 0.493 0.912 0.627 CB 1.690 194 residues pruned to eliminate duplicates Z: 44 55.579 2.598 0.956 0.534 0.907 0.651 CB 1.778 44 residues pruned to eliminate duplicates Z: 44 51.116 2.565 0.931 0.544 0.860 0.605 CB 1.752 44 residues pruned to eliminate duplicates Z: 64 62.293 2.560 1.010 0.506 0.889 0.619 CB 1.706 64 residues pruned to eliminate duplicates Z: 23 23.009 2.305 0.877 0.394 0.773 0.500 CB 1.642 23 residues pruned to eliminate duplicates Z: 36 38.005 2.436 0.766 0.483 0.829 0.743 CB 1.833 36 residues pruned to eliminate duplicates Z: 48 47.470 2.446 1.041 0.383 0.915 0.511 CB 1.717 48 residues pruned to eliminate duplicates Z: 50 62.747 2.659 1.092 0.546 0.898 0.673 CB 1.715 50 residues pruned to eliminate duplicates Z: 33 42.644 2.544 0.939 0.486 0.875 0.781 CB 1.770 33 residues pruned to eliminate duplicates Z: 54 59.116 2.561 1.026 0.511 0.906 0.642 CB 1.709 54 residues pruned to eliminate duplicates Z: 34 40.378 2.493 0.903 0.474 0.909 0.606 CB 1.672 34 residues pruned to eliminate duplicates Z: 51 66.082 2.609 1.100 0.541 0.940 0.660 CB 1.743 51 residues pruned to eliminate duplicates Z: 78 62.963 2.477 1.087 0.444 0.870 0.519 CB 1.690 78 residues pruned to eliminate duplicates Z: 116 79.691 2.512 1.093 0.480 0.887 0.583 CB 1.626 116 residues pruned to eliminate duplicates Z: 49 46.965 2.447 1.123 0.376 0.917 0.625 CB 1.625 49 residues pruned to eliminate duplicates Z: 22 29.089 2.386 0.913 0.402 0.952 0.476 CB 1.619 22 residues pruned to eliminate duplicates Z: 51 46.665 2.437 1.172 0.403 0.860 0.540 CB 1.606 51 residues pruned to eliminate duplicates Z: 28 27.135 2.408 0.880 0.343 0.852 0.519 CB 1.607 28 residues pruned to eliminate duplicates Z: 113 79.670 2.536 1.096 0.470 0.902 0.580 CB 1.621 113 residues pruned to eliminate duplicates Z: 14 16.848 2.450 0.819 0.343 0.769 0.462 CB 1.616 14 residues pruned to eliminate duplicates Z: 50 55.952 2.493 1.289 0.430 0.898 0.551 CB 1.677 50 residues pruned to eliminate duplicates Z: 50 36.117 2.313 1.042 0.385 0.857 0.347 CB 1.440 50 residues pruned to eliminate duplicates Z: 28 32.176 2.454 1.094 0.317 0.852 0.519 CB 1.732 28 residues pruned to eliminate duplicates Z: 50 46.555 2.474 1.012 0.401 0.898 0.551 CB 1.651 50 residues pruned to eliminate duplicates Z: 66 57.403 2.521 1.057 0.483 0.862 0.508 CB 1.621 66 residues pruned to eliminate duplicates Z: 31 26.495 2.430 0.918 0.332 0.833 0.433 CB 1.497 31 residues pruned to eliminate duplicates Z: 28 30.280 2.440 0.974 0.372 0.889 0.519 CB 1.562 28 residues pruned to eliminate duplicates Z: 78 61.503 2.551 1.046 0.464 0.857 0.571 CB 1.625 78 residues pruned to eliminate duplicates Z: 31 28.496 2.292 0.912 0.324 0.967 0.467 CB 1.491 31 residues pruned to eliminate duplicates Z: 96 60.587 2.451 0.915 0.456 0.863 0.547 CB 1.605 96 residues pruned to eliminate duplicates Z: 16 18.144 2.292 1.095 0.327 0.800 0.533 CB 1.474 16 residues pruned to eliminate duplicates Z: 16 18.904 2.303 1.104 0.375 0.800 0.400 CB 1.440 16 residues pruned to eliminate duplicates Z: 28 26.979 2.412 1.022 0.357 0.778 0.556 CB 1.596 28 residues pruned to eliminate duplicates Z: 31 30.191 2.393 1.049 0.352 0.833 0.367 CB 1.583 31 residues pruned to eliminate duplicates Z: 28 27.432 2.434 1.039 0.337 0.852 0.444 CB 1.492 28 residues pruned to eliminate duplicates Z: 65 47.917 2.419 1.048 0.416 0.859 0.469 CB 1.536 65 residues pruned to eliminate duplicates Z: 77 69.336 2.578 1.041 0.453 0.908 0.579 CB 1.746 77 residues pruned to eliminate duplicates Z: 64 44.040 2.399 1.048 0.390 0.873 0.492 CB 1.453 64 residues pruned to eliminate duplicates Z: 6 9.265 1.722 1.101 0.643 0.800 0.600 CB 1.252 6 residues pruned to eliminate duplicates Z: 51 49.532 2.459 1.259 0.455 0.860 0.480 CB 1.535 51 residues pruned to eliminate duplicates Z: 62 48.766 2.471 1.177 0.393 0.852 0.557 CB 1.525 62 residues pruned to eliminate duplicates Z: 42 44.109 2.429 1.292 0.474 0.902 0.561 CB 1.408 42 residues pruned to eliminate duplicates Z: 64 53.626 2.478 1.157 0.416 0.889 0.492 CB 1.553 64 residues pruned to eliminate duplicates Z: 62 48.543 2.487 1.122 0.401 0.869 0.492 CB 1.504 62 residues pruned to eliminate duplicates Z: 45 38.350 2.396 1.089 0.408 0.841 0.591 CB 1.513 45 residues pruned to eliminate duplicates Z: 113 76.555 2.536 1.059 0.471 0.875 0.571 CB 1.630 113 residues pruned to eliminate duplicates Z: 27 38.405 2.384 1.157 0.520 0.885 0.462 CB 1.624 27 residues pruned to eliminate duplicates Z: 37 45.699 2.441 1.182 0.517 0.917 0.556 CB 1.534 37 residues pruned to eliminate duplicates Z: 50 49.100 2.488 1.216 0.432 0.878 0.469 CB 1.554 50 residues pruned to eliminate duplicates Z: 51 45.875 2.455 1.180 0.424 0.900 0.460 CB 1.458 51 residues pruned to eliminate duplicates Z: 29 34.371 2.348 1.303 0.472 0.857 0.357 CB 1.441 29 residues pruned to eliminate duplicates Z: 38 37.958 2.429 1.089 0.451 0.865 0.459 CB 1.495 38 residues pruned to eliminate duplicates Z: 63 48.276 2.452 1.093 0.413 0.887 0.419 CB 1.475 63 residues pruned to eliminate duplicates Z: 64 53.366 2.472 1.162 0.418 0.889 0.492 CB 1.542 64 residues pruned to eliminate duplicates Z: 50 47.312 2.468 1.174 0.422 0.918 0.510 CB 1.488 50 residues pruned to eliminate duplicates Z: 24 39.050 2.450 1.306 0.541 0.913 0.565 CB 1.516 24 residues pruned to eliminate duplicates Z: 48 45.951 2.437 1.093 0.434 0.979 0.532 CB 1.438 48 residues pruned to eliminate duplicates Z: 38 41.233 2.378 1.272 0.481 0.838 0.541 CB 1.527 38 residues pruned to eliminate duplicates Z: 62 46.467 2.439 1.132 0.408 0.820 0.557 CB 1.538 62 residues pruned to eliminate duplicates Z: 49 49.869 2.500 1.205 0.437 0.896 0.458 CB 1.555 49 residues pruned to eliminate duplicates Z: 34 47.426 2.524 1.232 0.496 0.939 0.515 CB 1.566 34 residues pruned to eliminate duplicates Z: 30 35.268 2.343 1.203 0.479 0.897 0.517 CB 1.445 30 residues pruned to eliminate duplicates Z: 26 39.150 2.356 1.295 0.482 0.960 0.520 CB 1.536 26 residues pruned to eliminate duplicates Z: 35 39.194 2.425 1.170 0.463 0.853 0.412 CB 1.554 35 residues pruned to eliminate duplicates Z: 62 49.217 2.455 1.236 0.398 0.852 0.492 CB 1.500 62 residues pruned to eliminate duplicates Z: 36 45.576 2.454 1.274 0.502 0.886 0.486 CB 1.555 36 residues pruned to eliminate duplicates Z: 36 43.853 2.443 1.253 0.501 0.886 0.629 CB 1.519 36 residues pruned to eliminate duplicates Z: 37 39.906 2.435 1.188 0.479 0.861 0.528 CB 1.481 37 residues pruned to eliminate duplicates Z: 37 41.766 2.430 1.230 0.493 0.861 0.583 CB 1.502 37 residues pruned to eliminate duplicates Z: 63 50.521 2.467 1.231 0.421 0.839 0.468 CB 1.510 63 residues pruned to eliminate duplicates Z: 51 48.843 2.451 1.275 0.440 0.860 0.500 CB 1.532 51 residues pruned to eliminate duplicates Z: 51 46.990 2.445 1.135 0.432 0.920 0.480 CB 1.484 51 residues pruned to eliminate duplicates Z: 27 34.804 2.377 1.111 0.534 0.885 0.538 CB 1.487 27 residues pruned to eliminate duplicates Z: 37 40.242 2.412 1.169 0.487 0.861 0.556 CB 1.508 37 residues pruned to eliminate duplicates Z: 27 33.844 2.379 1.067 0.522 0.885 0.577 CB 1.494 27 residues pruned to eliminate duplicates Z: 112 79.846 2.525 1.149 0.487 0.892 0.532 CB 1.587 112 residues pruned to eliminate duplicates Z: 15 16.459 2.256 0.932 0.441 0.857 0.500 CB 1.251 15 residues pruned to eliminate duplicates 439 residues left after pruning, divided into chains as follows: A: 219 B: 220 CC for partial structure against native data = 46.97 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.783, Connect. = 0.779 for dens.mod. cycle 1 = 0.300, Contrast = 0.892, Connect. = 0.805 for dens.mod. cycle 2 = 0.300, Contrast = 1.102, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.132, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.159, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 1.166, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.176, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.177, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.179, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.179, Connect. = 0.835 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2754 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 585 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 103 78.555 2.543 1.079 0.470 0.912 0.569 CB 1.664 B: 99 72.930 2.531 1.117 0.435 0.867 0.551 CB 1.696 74 residues pruned to eliminate duplicates C: 23 69.540 2.661 1.096 0.917 1.000 0.909 CA 1.877 D: 22 75.827 2.762 1.168 0.924 1.000 0.857 CA 1.940 23 residues pruned to eliminate duplicates E: 22 57.616 2.708 0.670 0.919 1.000 0.952 CA 1.960 F: 24 50.043 2.619 0.643 0.870 0.957 0.783 CB 1.850 24 residues pruned to eliminate duplicates G: 23 62.614 2.657 0.914 0.910 0.955 0.682 CA 1.950 23 residues pruned to eliminate duplicates H: 23 64.137 2.682 0.867 0.910 1.000 0.909 CA 1.936 23 residues pruned to eliminate duplicates I: 23 52.513 2.618 0.653 0.927 1.000 0.955 CA 1.813 22 residues pruned to eliminate duplicates J: 23 63.160 2.649 0.905 0.921 1.000 0.818 CA 1.878 23 residues pruned to eliminate duplicates K: 15 36.087 2.500 1.367 0.810 0.786 0.714 CA 1.583 15 residues pruned to eliminate duplicates L: 13 48.577 2.545 1.264 0.914 1.000 0.917 CB 1.722 M: 23 62.666 2.659 0.806 0.932 1.000 0.864 CA 1.943 23 residues pruned to eliminate duplicates N: 17 41.500 2.313 1.040 0.846 1.000 0.750 CB 1.633 13 residues pruned to eliminate duplicates O: 22 54.500 2.626 0.716 0.909 1.000 0.857 CA 1.872 22 residues pruned to eliminate duplicates P: 16 40.954 2.520 1.124 0.855 0.933 0.733 CB 1.562 16 residues pruned to eliminate duplicates Q: 9 10.307 2.243 0.900 0.281 0.625 0.500 CA 1.752 9 residues pruned to eliminate duplicates R: 16 42.054 2.455 1.267 0.859 0.933 0.733 CB 1.538 16 residues pruned to eliminate duplicates S: 108 98.922 2.551 1.153 0.524 0.916 0.645 CB 1.857 22 residues pruned to eliminate duplicates T: 23 62.857 2.655 0.852 0.907 1.000 0.818 CB 1.937 23 residues pruned to eliminate duplicates U: 15 42.383 2.501 1.549 0.800 0.786 0.714 CA 1.740 15 residues pruned to eliminate duplicates V: 22 73.600 2.704 1.126 0.928 1.000 0.667 CB 1.956 22 residues pruned to eliminate duplicates W: 15 48.615 2.498 1.529 0.770 0.929 0.429 CB 1.744 15 residues pruned to eliminate duplicates X: 14 48.205 2.647 1.110 0.901 1.000 0.769 CB 1.708 14 residues pruned to eliminate duplicates Y: 23 52.812 2.617 0.651 0.905 1.000 0.864 CA 1.855 23 residues pruned to eliminate duplicates Z: 23 66.846 2.687 0.859 0.939 1.000 0.909 CA 1.983 23 residues pruned to eliminate duplicates Z: 23 71.493 2.676 1.160 0.888 0.955 0.773 CA 1.990 23 residues pruned to eliminate duplicates Z: 22 67.260 2.665 0.971 0.930 1.000 0.857 CA 1.953 22 residues pruned to eliminate duplicates Z: 22 69.797 2.703 1.070 0.933 0.952 0.810 CA 1.995 22 residues pruned to eliminate duplicates Z: 24 73.680 2.607 1.284 0.875 0.957 0.652 CA 1.962 24 residues pruned to eliminate duplicates Z: 23 77.816 2.685 1.211 0.907 1.000 0.545 CA 1.986 23 residues pruned to eliminate duplicates Z: 23 52.352 2.643 0.597 0.938 0.955 0.909 CB 1.927 23 residues pruned to eliminate duplicates Z: 23 70.846 2.692 1.022 0.921 1.000 0.727 CA 1.952 23 residues pruned to eliminate duplicates Z: 22 73.277 2.703 1.086 0.930 1.000 0.857 CB 1.983 23 residues pruned to eliminate duplicates Z: 16 48.672 2.497 1.122 0.855 1.000 0.667 CA 1.751 16 residues pruned to eliminate duplicates Z: 15 39.380 2.461 1.199 0.880 0.929 0.643 CB 1.517 15 residues pruned to eliminate duplicates Z: 23 62.650 2.635 0.833 0.937 1.000 1.000 CA 1.925 23 residues pruned to eliminate duplicates Z: 13 33.057 2.286 1.060 0.753 1.000 0.667 CA 1.617 13 residues pruned to eliminate duplicates Z: 50 47.585 2.472 0.881 0.529 0.898 0.612 CB 1.583 17 residues pruned to eliminate duplicates Z: 73 42.727 2.249 0.871 0.441 0.847 0.569 CB 1.501 51 residues pruned to eliminate duplicates Z: 22 78.669 2.749 1.261 0.914 0.952 0.667 CA 2.050 22 residues pruned to eliminate duplicates Z: 24 72.329 2.592 1.244 0.888 0.957 0.609 CA 1.953 24 residues pruned to eliminate duplicates Z: 83 88.975 2.517 1.125 0.546 0.939 0.598 CB 1.870 83 residues pruned to eliminate duplicates Z: 28 33.015 2.462 1.081 0.354 0.889 0.444 CB 1.633 28 residues pruned to eliminate duplicates Z: 37 36.102 2.444 0.907 0.470 0.806 0.639 CB 1.653 37 residues pruned to eliminate duplicates Z: 15 21.150 2.479 1.022 0.375 0.857 0.429 CB 1.503 15 residues pruned to eliminate duplicates Z: 23 66.549 2.613 1.168 0.909 0.955 0.591 CB 1.863 23 residues pruned to eliminate duplicates Z: 22 69.643 2.672 1.173 0.947 0.952 0.952 CB 1.899 22 residues pruned to eliminate duplicates Z: 108 102.129 2.568 1.149 0.516 0.953 0.654 CB 1.847 108 residues pruned to eliminate duplicates Z: 24 68.338 2.570 1.116 0.921 1.000 0.870 CA 1.844 23 residues pruned to eliminate duplicates Z: 22 76.070 2.684 1.221 0.920 1.000 0.571 CB 1.961 22 residues pruned to eliminate duplicates Z: 11 20.566 2.163 0.790 0.730 0.900 0.600 CB 1.518 11 residues pruned to eliminate duplicates Z: 23 63.260 2.675 0.899 0.882 0.955 0.727 CA 2.013 23 residues pruned to eliminate duplicates Z: 16 48.308 2.446 1.233 0.856 1.000 0.667 CB 1.684 16 residues pruned to eliminate duplicates Z: 49 55.748 2.473 1.214 0.377 0.917 0.646 CB 1.828 48 residues pruned to eliminate duplicates Z: 11 20.021 2.230 0.668 0.813 1.000 0.700 CB 1.296 11 residues pruned to eliminate duplicates Z: 18 13.510 2.178 0.831 0.244 0.765 0.412 CB 1.445 18 residues pruned to eliminate duplicates Z: 69 89.857 2.581 1.033 0.613 0.985 0.706 CB 1.894 70 residues pruned to eliminate duplicates Z: 108 103.847 2.552 1.138 0.540 0.944 0.682 CB 1.874 107 residues pruned to eliminate duplicates Z: 108 91.727 2.511 1.087 0.519 0.935 0.654 CB 1.778 151 residues pruned to eliminate duplicates Z: 40 40.911 2.416 1.148 0.479 0.897 0.513 CB 1.436 Z: 108 96.006 2.534 1.022 0.525 0.944 0.664 CB 1.873 108 residues pruned to eliminate duplicates Z: 109 88.925 2.517 1.032 0.516 0.935 0.639 CB 1.762 108 residues pruned to eliminate duplicates Z: 107 101.394 2.566 1.119 0.520 0.943 0.632 CB 1.881 108 residues pruned to eliminate duplicates Z: 106 91.429 2.550 1.063 0.493 0.924 0.648 CB 1.850 106 residues pruned to eliminate duplicates Z: 108 103.489 2.547 1.126 0.523 0.963 0.636 CB 1.876 108 residues pruned to eliminate duplicates Z: 183 117.054 2.552 1.108 0.501 0.929 0.643 CB 1.735 113 residues pruned to eliminate duplicates Z: 52 50.263 2.476 0.921 0.514 0.922 0.569 CB 1.584 52 residues pruned to eliminate duplicates Z: 12 17.408 2.011 1.207 0.457 0.909 0.545 CB 1.360 12 residues pruned to eliminate duplicates Z: 23 55.319 2.636 0.606 0.922 1.000 0.955 CB 1.959 23 residues pruned to eliminate duplicates Z: 14 29.956 2.146 1.045 0.728 1.000 0.615 CA 1.542 14 residues pruned to eliminate duplicates Z: 40 55.444 2.493 1.223 0.411 0.923 0.487 CB 1.905 40 residues pruned to eliminate duplicates Z: 64 40.186 2.255 1.006 0.411 0.873 0.444 CB 1.408 64 residues pruned to eliminate duplicates Z: 38 44.168 2.441 1.064 0.420 0.919 0.676 CB 1.705 38 residues pruned to eliminate duplicates Z: 93 58.905 2.413 0.962 0.426 0.870 0.576 CB 1.611 93 residues pruned to eliminate duplicates Z: 15 24.275 2.066 0.907 0.703 0.857 0.571 CA 1.598 15 residues pruned to eliminate duplicates Z: 21 24.216 2.207 1.036 0.415 0.850 0.550 CA 1.549 Z: 44 30.356 2.172 0.783 0.416 0.884 0.651 CB 1.477 44 residues pruned to eliminate duplicates Z: 109 99.714 2.552 1.145 0.510 0.917 0.639 CB 1.893 109 residues pruned to eliminate duplicates Z: 21 61.517 2.727 0.794 0.897 1.000 0.900 CA 2.013 21 residues pruned to eliminate duplicates Z: 108 93.806 2.556 1.086 0.507 0.907 0.654 CB 1.863 108 residues pruned to eliminate duplicates Z: 24 64.893 2.554 0.942 0.931 1.000 0.783 CB 1.906 24 residues pruned to eliminate duplicates Z: 109 93.262 2.520 1.015 0.532 0.954 0.639 CB 1.796 109 residues pruned to eliminate duplicates Z: 24 30.900 2.244 1.068 0.431 0.913 0.565 CB 1.633 24 residues pruned to eliminate duplicates Z: 69 84.251 2.566 1.042 0.605 0.971 0.735 CB 1.818 69 residues pruned to eliminate duplicates Z: 108 91.331 2.525 1.026 0.525 0.944 0.645 CB 1.784 108 residues pruned to eliminate duplicates Z: 23 58.556 2.604 0.811 0.906 1.000 0.864 CA 1.883 23 residues pruned to eliminate duplicates Z: 7 6.606 1.921 0.789 0.398 0.833 0.333 CB 1.049 Z: 114 97.523 2.558 1.065 0.557 0.929 0.664 CB 1.768 121 residues pruned to eliminate duplicates Z: 40 52.418 2.486 1.254 0.392 0.897 0.487 CB 1.870 40 residues pruned to eliminate duplicates Z: 110 84.450 2.508 0.972 0.496 0.945 0.642 CB 1.738 110 residues pruned to eliminate duplicates Z: 15 40.234 2.480 1.126 0.878 0.929 0.643 CB 1.594 15 residues pruned to eliminate duplicates Z: 72 49.793 2.451 1.106 0.399 0.831 0.535 CB 1.533 72 residues pruned to eliminate duplicates Z: 13 12.829 2.159 0.707 0.375 0.750 0.500 CB 1.531 13 residues pruned to eliminate duplicates Z: 70 86.045 2.582 1.088 0.593 0.957 0.667 CB 1.837 70 residues pruned to eliminate duplicates Z: 11 26.267 2.205 0.808 0.815 1.000 0.800 CB 1.585 Z: 11 23.958 2.096 0.938 0.814 1.000 0.800 CA 1.419 11 residues pruned to eliminate duplicates Z: 53 57.429 2.598 1.052 0.520 0.865 0.635 CB 1.692 53 residues pruned to eliminate duplicates Z: 74 78.273 2.494 0.996 0.562 0.959 0.712 CB 1.807 74 residues pruned to eliminate duplicates Z: 12 40.899 2.792 1.076 0.852 0.818 0.727 CB 1.923 12 residues pruned to eliminate duplicates Z: 49 49.465 2.429 1.098 0.398 0.917 0.562 CB 1.701 49 residues pruned to eliminate duplicates Z: 108 102.009 2.561 1.125 0.525 0.944 0.673 CB 1.873 108 residues pruned to eliminate duplicates Z: 14 21.258 2.185 0.854 0.456 1.000 0.692 CB 1.521 14 residues pruned to eliminate duplicates Z: 61 53.398 2.465 0.987 0.498 0.883 0.567 CB 1.596 84 residues pruned to eliminate duplicates Z: 107 90.972 2.535 0.970 0.539 0.925 0.670 CB 1.842 107 residues pruned to eliminate duplicates Z: 13 14.736 2.233 0.797 0.362 0.833 0.417 CB 1.476 13 residues pruned to eliminate duplicates Z: 40 50.858 2.491 1.078 0.403 0.923 0.564 CB 1.887 40 residues pruned to eliminate duplicates Z: 15 22.124 2.103 0.874 0.728 0.857 0.500 CB 1.426 15 residues pruned to eliminate duplicates Z: 47 49.745 2.402 1.164 0.450 0.913 0.500 CB 1.626 47 residues pruned to eliminate duplicates Z: 11 34.211 2.412 0.944 0.921 1.000 0.700 CB 1.623 11 residues pruned to eliminate duplicates Z: 66 52.506 2.358 1.062 0.406 0.892 0.600 CB 1.657 66 residues pruned to eliminate duplicates Z: 24 69.680 2.557 1.092 0.922 1.000 0.696 CA 1.910 24 residues pruned to eliminate duplicates Z: 70 85.089 2.590 1.001 0.583 0.971 0.667 CB 1.879 70 residues pruned to eliminate duplicates Z: 96 91.907 2.609 1.013 0.583 0.916 0.663 CB 1.810 96 residues pruned to eliminate duplicates Z: 70 81.915 2.551 1.005 0.595 0.942 0.681 CB 1.868 70 residues pruned to eliminate duplicates Z: 39 54.568 2.507 1.200 0.417 0.921 0.526 CB 1.899 39 residues pruned to eliminate duplicates Z: 37 39.850 2.405 1.134 0.518 0.889 0.556 CB 1.431 37 residues pruned to eliminate duplicates Z: 83 85.154 2.499 1.055 0.559 0.963 0.671 CB 1.795 83 residues pruned to eliminate duplicates Z: 69 84.323 2.599 1.039 0.579 0.956 0.735 CB 1.872 69 residues pruned to eliminate duplicates Z: 23 20.130 2.144 1.034 0.344 0.773 0.500 CA 1.509 23 residues pruned to eliminate duplicates Z: 22 46.755 2.642 1.230 0.599 0.905 0.571 CB 1.742 21 residues pruned to eliminate duplicates Z: 12 26.139 2.087 0.900 0.807 1.000 0.727 CB 1.521 12 residues pruned to eliminate duplicates Z: 18 16.410 2.325 0.694 0.406 0.765 0.412 CB 1.458 18 residues pruned to eliminate duplicates Z: 14 44.579 2.450 1.206 0.901 1.000 0.769 CB 1.633 14 residues pruned to eliminate duplicates Z: 70 79.607 2.568 1.038 0.581 0.942 0.681 CB 1.798 70 residues pruned to eliminate duplicates Z: 108 87.751 2.512 1.022 0.502 0.944 0.607 CB 1.766 108 residues pruned to eliminate duplicates Z: 11 21.031 2.117 0.878 0.807 1.000 0.700 CB 1.280 11 residues pruned to eliminate duplicates Z: 109 86.348 2.488 0.955 0.514 0.954 0.630 CB 1.767 109 residues pruned to eliminate duplicates Z: 6 14.136 2.573 0.802 0.354 1.000 0.400 CA 1.596 6 residues pruned to eliminate duplicates Z: 11 14.965 2.257 0.280 0.779 0.800 0.700 CB 1.601 11 residues pruned to eliminate duplicates Z: 109 93.232 2.509 1.093 0.536 0.926 0.648 CB 1.781 107 residues pruned to eliminate duplicates Z: 126 91.873 2.493 0.978 0.542 0.920 0.664 CB 1.738 127 residues pruned to eliminate duplicates Z: 27 25.231 2.216 0.939 0.535 0.808 0.538 CB 1.377 27 residues pruned to eliminate duplicates Z: 109 98.864 2.536 1.112 0.526 0.935 0.611 CB 1.852 109 residues pruned to eliminate duplicates Z: 23 49.227 2.613 0.448 0.939 1.000 1.000 CB 1.927 23 residues pruned to eliminate duplicates Z: 70 80.851 2.520 1.022 0.594 0.957 0.710 CB 1.825 70 residues pruned to eliminate duplicates Z: 109 91.738 2.511 1.077 0.520 0.944 0.648 CB 1.756 109 residues pruned to eliminate duplicates Z: 23 80.014 2.685 1.174 0.932 1.000 0.682 CA 2.040 23 residues pruned to eliminate duplicates Z: 23 58.419 2.605 0.860 0.882 1.000 0.682 CA 1.859 23 residues pruned to eliminate duplicates Z: 24 36.680 2.461 1.120 0.345 0.913 0.609 CB 1.900 24 residues pruned to eliminate duplicates Z: 20 23.014 2.177 1.145 0.343 0.842 0.737 CB 1.593 20 residues pruned to eliminate duplicates Z: 69 71.339 2.535 0.894 0.570 0.941 0.632 CB 1.788 69 residues pruned to eliminate duplicates Z: 9 20.108 2.260 0.562 0.864 1.000 0.750 CA 1.476 9 residues pruned to eliminate duplicates Z: 25 37.454 2.460 0.804 0.612 0.917 0.458 CB 1.691 25 residues pruned to eliminate duplicates Z: 70 82.194 2.579 1.043 0.571 0.957 0.696 CB 1.833 70 residues pruned to eliminate duplicates Z: 15 23.865 2.052 0.911 0.723 0.857 0.500 CA 1.551 15 residues pruned to eliminate duplicates Z: 71 78.656 2.533 0.916 0.591 0.957 0.700 CB 1.855 71 residues pruned to eliminate duplicates Z: 23 59.674 2.644 0.762 0.932 1.000 0.864 CA 1.907 23 residues pruned to eliminate duplicates Z: 11 19.233 2.214 1.071 0.484 0.900 0.700 CB 1.497 11 residues pruned to eliminate duplicates Z: 23 69.891 2.697 1.094 0.887 0.955 0.864 CA 1.993 23 residues pruned to eliminate duplicates Z: 11 33.029 2.214 1.072 0.834 1.000 1.000 CB 1.707 11 residues pruned to eliminate duplicates Z: 11 19.120 2.103 0.814 0.732 0.900 0.600 CB 1.429 11 residues pruned to eliminate duplicates Z: 108 100.370 2.564 1.160 0.515 0.935 0.654 CB 1.846 109 residues pruned to eliminate duplicates Z: 101 95.032 2.529 1.061 0.531 0.950 0.630 CB 1.862 101 residues pruned to eliminate duplicates Z: 6 11.349 2.190 0.341 0.736 1.000 0.600 CA 1.397 6 residues pruned to eliminate duplicates Z: 42 43.867 2.424 0.895 0.576 0.927 0.585 CB 1.496 42 residues pruned to eliminate duplicates Z: 13 25.254 1.985 0.918 0.757 1.000 0.667 CB 1.524 13 residues pruned to eliminate duplicates Z: 9 25.269 2.400 0.824 0.882 1.000 0.750 CB 1.477 9 residues pruned to eliminate duplicates Z: 108 88.820 2.526 0.975 0.515 0.953 0.607 CB 1.778 108 residues pruned to eliminate duplicates Z: 70 82.359 2.546 1.102 0.598 0.957 0.638 CB 1.764 70 residues pruned to eliminate duplicates Z: 27 26.514 2.302 0.858 0.518 0.808 0.538 CB 1.478 27 residues pruned to eliminate duplicates Z: 24 47.086 2.490 0.590 0.906 0.957 0.826 CB 1.843 24 residues pruned to eliminate duplicates Z: 40 30.161 2.213 1.077 0.423 0.872 0.487 CB 1.306 23 residues pruned to eliminate duplicates Z: 46 47.755 2.430 0.955 0.482 0.867 0.600 CB 1.761 46 residues pruned to eliminate duplicates Z: 84 73.343 2.446 0.966 0.542 0.952 0.699 CB 1.688 84 residues pruned to eliminate duplicates Z: 12 10.502 2.214 0.496 0.369 0.727 0.455 CB 1.512 12 residues pruned to eliminate duplicates Z: 13 24.986 2.172 0.890 0.733 0.917 0.750 CA 1.554 13 residues pruned to eliminate duplicates Z: 10 16.872 2.326 0.351 0.871 1.000 0.778 CB 1.305 10 residues pruned to eliminate duplicates Z: 25 36.966 2.403 0.996 0.379 0.958 0.583 CB 1.867 25 residues pruned to eliminate duplicates Z: 38 32.640 2.214 0.947 0.486 0.919 0.541 CB 1.374 24 residues pruned to eliminate duplicates Z: 25 38.223 2.269 0.995 0.599 0.958 0.708 CB 1.636 25 residues pruned to eliminate duplicates Z: 10 27.893 2.413 1.048 0.866 0.889 0.889 CB 1.550 10 residues pruned to eliminate duplicates Z: 27 36.519 2.539 0.713 0.469 0.923 0.654 CB 1.841 27 residues pruned to eliminate duplicates Z: 11 19.332 2.072 0.560 0.834 1.000 0.800 CB 1.418 11 residues pruned to eliminate duplicates Z: 6 12.197 2.194 0.395 0.756 1.000 0.600 CA 1.419 6 residues pruned to eliminate duplicates Z: 93 87.448 2.517 1.071 0.529 0.957 0.685 CB 1.778 93 residues pruned to eliminate duplicates Z: 109 94.728 2.558 1.061 0.509 0.935 0.639 CB 1.833 109 residues pruned to eliminate duplicates Z: 109 90.320 2.508 1.036 0.518 0.935 0.630 CB 1.788 109 residues pruned to eliminate duplicates Z: 94 89.180 2.533 1.150 0.561 0.925 0.656 CB 1.730 94 residues pruned to eliminate duplicates Z: 109 93.290 2.525 1.072 0.507 0.926 0.639 CB 1.839 109 residues pruned to eliminate duplicates Z: 30 31.842 2.406 0.736 0.508 0.828 0.586 CB 1.697 30 residues pruned to eliminate duplicates Z: 16 30.975 2.386 0.590 0.910 0.933 0.800 CA 1.603 16 residues pruned to eliminate duplicates Z: 108 99.089 2.549 1.075 0.518 0.953 0.636 CB 1.866 109 residues pruned to eliminate duplicates Z: 7 10.202 2.097 1.019 0.709 0.667 0.333 CB 1.221 7 residues pruned to eliminate duplicates Z: 21 21.573 2.150 0.950 0.579 0.900 0.550 CB 1.185 21 residues pruned to eliminate duplicates Z: 21 23.780 2.366 0.745 0.540 0.750 0.300 CB 1.651 21 residues pruned to eliminate duplicates Z: 17 27.448 2.464 0.669 0.419 0.938 0.688 CB 1.936 17 residues pruned to eliminate duplicates Z: 40 40.728 2.402 1.017 0.393 0.872 0.538 CB 1.728 40 residues pruned to eliminate duplicates Z: 7 3.633 1.548 0.782 0.435 0.500 0.333 C 1.150 7 residues pruned to eliminate duplicates Z: 12 36.371 2.449 1.027 0.927 0.818 0.364 CB 1.891 12 residues pruned to eliminate duplicates Z: 23 24.222 2.286 0.899 0.410 0.909 0.591 CB 1.439 23 residues pruned to eliminate duplicates Z: 109 87.048 2.513 0.996 0.521 0.935 0.657 CB 1.749 109 residues pruned to eliminate duplicates Z: 83 79.110 2.495 1.028 0.533 0.951 0.707 CB 1.757 83 residues pruned to eliminate duplicates Z: 40 45.936 2.440 1.138 0.393 0.872 0.590 CB 1.812 40 residues pruned to eliminate duplicates Z: 14 43.109 2.521 0.918 0.927 1.000 0.923 CB 1.732 14 residues pruned to eliminate duplicates Z: 15 13.833 2.142 0.576 0.541 0.714 0.571 CB 1.473 15 residues pruned to eliminate duplicates Z: 109 102.460 2.572 1.113 0.520 0.944 0.676 CB 1.883 109 residues pruned to eliminate duplicates Z: 108 87.655 2.528 0.985 0.518 0.944 0.692 CB 1.758 108 residues pruned to eliminate duplicates Z: 29 27.086 2.457 0.986 0.311 0.893 0.536 CB 1.449 29 residues pruned to eliminate duplicates Z: 11 20.968 2.110 0.988 0.803 1.000 0.800 CB 1.213 11 residues pruned to eliminate duplicates Z: 108 88.596 2.511 1.027 0.521 0.925 0.701 CB 1.782 108 residues pruned to eliminate duplicates Z: 11 10.277 2.261 0.859 0.317 0.700 0.400 CB 1.351 11 residues pruned to eliminate duplicates Z: 7 7.520 2.009 0.371 0.783 0.667 0.667 CA 1.303 7 residues pruned to eliminate duplicates Z: 95 88.660 2.580 0.951 0.566 0.947 0.702 CB 1.801 95 residues pruned to eliminate duplicates Z: 28 30.991 2.413 1.110 0.351 0.852 0.667 CB 1.616 28 residues pruned to eliminate duplicates Z: 29 38.848 2.390 0.897 0.540 0.893 0.714 CB 1.744 29 residues pruned to eliminate duplicates Z: 9 11.603 2.045 0.847 0.377 0.875 0.500 CB 1.415 9 residues pruned to eliminate duplicates Z: 108 80.339 2.478 0.863 0.514 0.944 0.654 CB 1.757 108 residues pruned to eliminate duplicates Z: 69 86.521 2.571 0.994 0.601 0.971 0.735 CB 1.915 69 residues pruned to eliminate duplicates Z: 49 57.078 2.514 1.165 0.431 0.896 0.625 CB 1.815 49 residues pruned to eliminate duplicates Z: 7 14.721 2.292 0.784 0.574 0.833 0.833 CB 1.641 8 residues pruned to eliminate duplicates Z: 91 81.190 2.493 1.020 0.522 0.933 0.689 CB 1.781 91 residues pruned to eliminate duplicates Z: 8 11.535 2.005 0.621 0.475 0.857 0.429 CB 1.605 8 residues pruned to eliminate duplicates Z: 48 39.575 2.348 0.760 0.474 0.915 0.660 CB 1.567 48 residues pruned to eliminate duplicates Z: 38 45.208 2.426 1.174 0.411 0.919 0.568 CB 1.683 38 residues pruned to eliminate duplicates Z: 11 26.725 2.175 0.802 0.855 1.000 0.900 CB 1.591 11 residues pruned to eliminate duplicates Z: 15 33.810 2.484 1.274 0.499 0.929 0.714 CB 1.724 15 residues pruned to eliminate duplicates Z: 82 87.450 2.544 1.070 0.561 0.938 0.691 CB 1.853 82 residues pruned to eliminate duplicates Z: 50 47.548 2.463 1.129 0.446 0.898 0.531 CB 1.524 50 residues pruned to eliminate duplicates Z: 13 6.999 1.883 0.552 0.370 0.750 0.417 CB 1.060 13 residues pruned to eliminate duplicates Z: 11 30.312 2.193 0.894 0.880 1.000 0.700 CB 1.672 11 residues pruned to eliminate duplicates Z: 62 48.383 2.492 1.037 0.412 0.836 0.508 CB 1.600 62 residues pruned to eliminate duplicates Z: 15 23.800 2.332 1.033 0.481 0.857 0.714 CB 1.596 15 residues pruned to eliminate duplicates Z: 62 81.551 2.531 1.003 0.641 0.984 0.820 CB 1.835 62 residues pruned to eliminate duplicates Z: 12 23.919 2.039 1.037 0.755 1.000 0.636 CB 1.384 12 residues pruned to eliminate duplicates Z: 12 23.164 1.957 0.721 0.827 1.000 0.818 CB 1.563 12 residues pruned to eliminate duplicates Z: 36 41.333 2.406 1.100 0.492 0.914 0.543 CB 1.525 36 residues pruned to eliminate duplicates Z: 14 16.432 2.235 0.706 0.480 0.846 0.538 CB 1.441 14 residues pruned to eliminate duplicates Z: 15 17.553 2.091 0.672 0.720 0.786 0.643 CA 1.401 15 residues pruned to eliminate duplicates Z: 24 55.354 2.576 0.909 0.896 0.957 0.826 CA 1.758 24 residues pruned to eliminate duplicates Z: 23 60.981 2.633 0.985 0.896 0.955 0.773 CA 1.867 23 residues pruned to eliminate duplicates Z: 108 84.277 2.481 0.987 0.506 0.944 0.720 CB 1.739 108 residues pruned to eliminate duplicates Z: 10 11.608 1.848 0.232 0.757 0.889 0.778 CA 1.522 10 residues pruned to eliminate duplicates Z: 83 59.878 2.455 1.069 0.421 0.890 0.488 CB 1.587 83 residues pruned to eliminate duplicates Z: 51 37.674 2.412 0.822 0.411 0.820 0.680 CB 1.622 51 residues pruned to eliminate duplicates Z: 91 85.649 2.539 1.026 0.524 0.933 0.644 CB 1.838 91 residues pruned to eliminate duplicates Z: 10 3.907 2.010 0.196 0.231 0.667 0.222 CB 1.112 10 residues pruned to eliminate duplicates Z: 121 98.473 2.536 1.049 0.552 0.925 0.650 CB 1.778 121 residues pruned to eliminate duplicates Z: 70 56.267 2.476 0.930 0.479 0.870 0.565 CB 1.664 70 residues pruned to eliminate duplicates Z: 31 37.324 2.352 0.929 0.454 0.967 0.667 CB 1.629 31 residues pruned to eliminate duplicates Z: 7 9.900 1.842 1.079 0.825 1.000 0.667 CB 0.796 7 residues pruned to eliminate duplicates Z: 69 48.007 2.291 0.868 0.439 0.912 0.603 CB 1.590 69 residues pruned to eliminate duplicates Z: 90 89.312 2.551 1.178 0.581 0.921 0.652 CB 1.711 90 residues pruned to eliminate duplicates Z: 95 91.222 2.583 1.099 0.552 0.926 0.691 CB 1.783 95 residues pruned to eliminate duplicates Z: 71 55.141 2.412 0.925 0.477 0.871 0.571 CB 1.667 71 residues pruned to eliminate duplicates Z: 48 48.332 2.433 1.076 0.429 0.894 0.638 CB 1.682 48 residues pruned to eliminate duplicates Z: 10 12.972 1.808 0.337 0.787 0.889 0.444 CA 1.563 10 residues pruned to eliminate duplicates Z: 37 33.242 2.276 0.889 0.433 0.861 0.667 CB 1.604 37 residues pruned to eliminate duplicates Z: 12 21.312 2.282 1.017 0.427 0.909 0.545 CB 1.656 12 residues pruned to eliminate duplicates Z: 109 90.383 2.530 0.999 0.514 0.926 0.685 CB 1.831 109 residues pruned to eliminate duplicates Z: 36 34.716 2.437 1.051 0.380 0.886 0.514 CB 1.506 36 residues pruned to eliminate duplicates Z: 19 14.962 2.242 0.658 0.341 0.778 0.389 CB 1.450 19 residues pruned to eliminate duplicates Z: 118 96.616 2.594 1.054 0.539 0.906 0.632 CB 1.782 118 residues pruned to eliminate duplicates Z: 9 11.923 1.976 0.333 0.763 0.875 0.875 CA 1.448 9 residues pruned to eliminate duplicates Z: 80 67.768 2.549 0.941 0.450 0.911 0.582 CB 1.779 80 residues pruned to eliminate duplicates Z: 25 27.196 2.214 0.986 0.541 0.792 0.625 CB 1.532 25 residues pruned to eliminate duplicates Z: 39 39.783 2.506 0.977 0.397 0.842 0.526 CB 1.724 39 residues pruned to eliminate duplicates Z: 73 85.020 2.544 1.044 0.568 0.972 0.681 CB 1.855 73 residues pruned to eliminate duplicates Z: 10 13.969 1.843 0.482 0.785 1.000 0.556 CA 1.327 10 residues pruned to eliminate duplicates Z: 41 42.380 2.443 1.093 0.387 0.875 0.550 CB 1.688 41 residues pruned to eliminate duplicates Z: 68 65.821 2.460 1.095 0.461 0.925 0.642 CB 1.756 68 residues pruned to eliminate duplicates Z: 53 35.415 2.235 0.820 0.433 0.827 0.615 CB 1.564 53 residues pruned to eliminate duplicates Z: 35 41.728 2.395 1.198 0.528 0.882 0.529 CB 1.499 35 residues pruned to eliminate duplicates Z: 11 6.443 1.807 0.498 0.339 0.800 0.500 CB 1.121 11 residues pruned to eliminate duplicates Z: 7 9.511 1.773 0.692 0.657 0.833 0.667 CB 1.342 7 residues pruned to eliminate duplicates Z: 33 36.858 2.465 0.735 0.509 0.875 0.656 CB 1.726 33 residues pruned to eliminate duplicates Z: 16 6.226 1.737 0.533 0.291 0.933 0.400 CB 0.818 Z: 108 91.532 2.558 1.071 0.495 0.916 0.645 CB 1.834 108 residues pruned to eliminate duplicates Z: 12 10.556 2.006 0.546 0.446 0.727 0.545 CB 1.493 12 residues pruned to eliminate duplicates Z: 43 80.863 2.637 1.186 0.654 0.952 0.714 CB 1.969 43 residues pruned to eliminate duplicates Z: 14 16.407 2.116 0.759 0.417 0.923 0.462 CB 1.444 14 residues pruned to eliminate duplicates Z: 42 46.020 2.420 1.011 0.396 0.927 0.634 CB 1.778 42 residues pruned to eliminate duplicates Z: 12 24.478 1.975 0.997 0.847 0.909 0.818 CB 1.528 12 residues pruned to eliminate duplicates Z: 10 12.419 1.781 0.399 0.828 1.000 0.556 CA 1.251 10 residues pruned to eliminate duplicates Z: 7 8.125 1.617 0.275 0.760 1.000 0.667 CB 1.277 7 residues pruned to eliminate duplicates Z: 63 97.312 2.603 1.184 0.625 0.984 0.677 CB 1.963 63 residues pruned to eliminate duplicates Z: 60 91.539 2.578 1.150 0.655 0.983 0.695 CB 1.894 60 residues pruned to eliminate duplicates Z: 6 8.771 1.980 0.331 0.753 1.000 0.800 CB 1.187 Z: 10 7.936 1.974 0.613 0.383 0.889 0.556 CB 1.058 10 residues pruned to eliminate duplicates Z: 22 28.110 2.124 0.930 0.577 0.952 0.571 CB 1.459 22 residues pruned to eliminate duplicates Z: 22 22.868 2.294 1.011 0.345 0.905 0.571 CB 1.416 22 residues pruned to eliminate duplicates Z: 54 44.696 2.298 0.990 0.457 0.906 0.585 CB 1.549 54 residues pruned to eliminate duplicates Z: 22 71.528 2.673 1.113 0.922 1.000 0.714 CB 1.944 22 residues pruned to eliminate duplicates Z: 28 22.596 2.320 0.863 0.352 0.778 0.593 CB 1.519 28 residues pruned to eliminate duplicates Z: 36 32.262 2.262 1.034 0.489 0.829 0.543 CB 1.446 36 residues pruned to eliminate duplicates Z: 23 40.243 2.424 1.003 0.400 1.000 0.682 CA 1.964 23 residues pruned to eliminate duplicates Z: 36 28.700 2.319 0.834 0.441 0.829 0.543 CB 1.463 36 residues pruned to eliminate duplicates Z: 39 52.270 2.511 1.157 0.418 0.921 0.605 CB 1.851 39 residues pruned to eliminate duplicates Z: 22 36.576 2.327 0.980 0.484 0.952 0.429 CB 1.850 22 residues pruned to eliminate duplicates Z: 95 97.293 2.582 1.129 0.574 0.957 0.681 CB 1.775 95 residues pruned to eliminate duplicates Z: 9 9.386 2.047 0.434 0.485 0.625 0.500 C 1.837 9 residues pruned to eliminate duplicates Z: 109 96.868 2.549 1.098 0.518 0.926 0.630 CB 1.849 109 residues pruned to eliminate duplicates Z: 7 9.780 2.100 0.251 0.814 0.833 0.667 CB 1.387 7 residues pruned to eliminate duplicates Z: 73 82.474 2.500 1.070 0.600 0.944 0.653 CB 1.807 73 residues pruned to eliminate duplicates Z: 38 46.576 2.474 1.245 0.465 0.919 0.568 CB 1.555 38 residues pruned to eliminate duplicates Z: 17 13.624 2.222 0.811 0.348 0.875 0.500 CB 1.141 17 residues pruned to eliminate duplicates Z: 11 25.534 2.056 1.099 0.803 1.000 0.500 CA 1.435 11 residues pruned to eliminate duplicates Z: 29 29.336 2.355 0.886 0.405 0.857 0.571 CB 1.609 29 residues pruned to eliminate duplicates Z: 54 56.691 2.429 0.952 0.491 0.962 0.717 CB 1.722 54 residues pruned to eliminate duplicates Z: 62 49.541 2.406 1.123 0.454 0.852 0.574 CB 1.527 62 residues pruned to eliminate duplicates Z: 38 32.720 2.229 0.993 0.457 0.892 0.514 CB 1.419 38 residues pruned to eliminate duplicates Z: 10 16.533 2.433 0.472 0.379 1.000 0.556 CB 1.751 10 residues pruned to eliminate duplicates Z: 91 85.708 2.516 0.975 0.557 0.944 0.733 CB 1.821 91 residues pruned to eliminate duplicates Z: 100 83.833 2.493 1.008 0.492 0.939 0.667 CB 1.806 100 residues pruned to eliminate duplicates Z: 81 80.818 2.509 0.961 0.545 0.975 0.725 CB 1.803 81 residues pruned to eliminate duplicates Z: 21 15.030 2.177 0.774 0.303 0.800 0.500 CB 1.354 21 residues pruned to eliminate duplicates Z: 37 26.250 2.248 0.923 0.326 0.861 0.556 CB 1.423 37 residues pruned to eliminate duplicates Z: 8 2.871 1.541 0.552 0.119 0.571 0.429 CB 1.284 8 residues pruned to eliminate duplicates Z: 39 49.141 2.395 1.180 0.432 0.921 0.632 CB 1.777 39 residues pruned to eliminate duplicates Z: 37 41.546 2.383 1.158 0.535 0.944 0.694 CB 1.378 37 residues pruned to eliminate duplicates Z: 22 29.101 2.364 1.244 0.341 0.857 0.429 CB 1.660 22 residues pruned to eliminate duplicates Z: 20 27.909 2.505 1.098 0.344 0.789 0.684 CB 1.828 20 residues pruned to eliminate duplicates Z: 48 43.470 2.377 0.985 0.423 0.894 0.681 CB 1.630 48 residues pruned to eliminate duplicates Z: 83 61.497 2.504 1.038 0.424 0.902 0.524 CB 1.595 83 residues pruned to eliminate duplicates Z: 108 89.235 2.514 1.054 0.521 0.925 0.654 CB 1.768 108 residues pruned to eliminate duplicates Z: 13 7.327 2.063 0.727 0.311 0.750 0.417 CB 0.976 13 residues pruned to eliminate duplicates Z: 10 8.477 1.984 1.098 0.261 0.889 0.444 CB 1.004 10 residues pruned to eliminate duplicates Z: 12 17.159 2.072 1.198 0.479 0.909 0.727 CB 1.276 12 residues pruned to eliminate duplicates Z: 65 61.329 2.571 1.050 0.487 0.891 0.562 CB 1.655 65 residues pruned to eliminate duplicates Z: 63 65.097 2.452 0.864 0.604 0.935 0.629 CB 1.751 63 residues pruned to eliminate duplicates Z: 8 14.461 1.956 0.380 0.811 1.000 0.571 CB 1.545 8 residues pruned to eliminate duplicates Z: 19 19.723 2.055 0.927 0.352 0.889 0.611 CB 1.551 19 residues pruned to eliminate duplicates Z: 36 28.989 2.228 0.837 0.424 0.857 0.514 CB 1.512 36 residues pruned to eliminate duplicates Z: 9 14.153 1.950 0.299 0.778 1.000 0.750 CA 1.545 9 residues pruned to eliminate duplicates Z: 16 27.680 2.395 1.020 0.427 0.933 0.733 CB 1.707 16 residues pruned to eliminate duplicates Z: 31 29.486 2.303 0.848 0.457 0.867 0.733 CB 1.525 31 residues pruned to eliminate duplicates Z: 12 14.168 2.439 0.924 0.361 0.818 0.455 CB 1.293 12 residues pruned to eliminate duplicates Z: 50 45.665 2.404 0.877 0.502 0.837 0.612 CB 1.725 50 residues pruned to eliminate duplicates Z: 64 41.105 2.259 0.981 0.405 0.873 0.524 CB 1.466 64 residues pruned to eliminate duplicates Z: 67 89.345 2.592 1.110 0.609 0.970 0.697 CB 1.869 67 residues pruned to eliminate duplicates Z: 6 8.743 1.887 0.394 0.654 1.000 0.800 CB 1.287 Z: 70 61.578 2.448 1.179 0.496 0.884 0.696 CB 1.578 70 residues pruned to eliminate duplicates Z: 6 5.963 1.807 0.090 0.815 0.800 0.600 CB 1.287 6 residues pruned to eliminate duplicates Z: 155 101.732 2.528 0.949 0.521 0.929 0.675 CB 1.755 155 residues pruned to eliminate duplicates Z: 61 49.256 2.488 0.860 0.482 0.867 0.600 CB 1.614 61 residues pruned to eliminate duplicates Z: 14 15.002 2.039 0.628 0.414 0.923 0.538 CB 1.485 14 residues pruned to eliminate duplicates Z: 84 78.816 2.524 1.075 0.479 0.916 0.711 CB 1.841 84 residues pruned to eliminate duplicates Z: 33 32.530 2.231 0.930 0.493 0.906 0.531 CB 1.484 33 residues pruned to eliminate duplicates Z: 11 5.175 1.900 0.624 0.259 0.600 0.300 CB 1.164 11 residues pruned to eliminate duplicates Z: 23 55.089 2.599 0.652 0.933 1.000 0.818 CB 1.909 23 residues pruned to eliminate duplicates Z: 28 44.534 2.521 1.185 0.394 0.926 0.593 CB 1.879 28 residues pruned to eliminate duplicates Z: 25 23.960 2.296 0.952 0.375 0.833 0.542 CB 1.498 25 residues pruned to eliminate duplicates Z: 10 23.798 2.279 0.763 0.828 1.000 0.556 CA 1.487 10 residues pruned to eliminate duplicates Z: 18 34.735 2.467 1.049 0.634 0.941 0.647 CB 1.562 18 residues pruned to eliminate duplicates Z: 21 21.502 2.314 0.831 0.434 0.800 0.450 CB 1.518 21 residues pruned to eliminate duplicates Z: 40 49.701 2.432 0.945 0.535 0.949 0.718 CB 1.714 40 residues pruned to eliminate duplicates Z: 48 40.687 2.524 1.022 0.369 0.830 0.468 CB 1.612 48 residues pruned to eliminate duplicates Z: 19 22.967 2.160 0.850 0.638 0.833 0.611 CB 1.429 19 residues pruned to eliminate duplicates Z: 6 13.951 2.154 0.765 0.715 1.000 1.000 CB 1.351 6 residues pruned to eliminate duplicates Z: 75 49.861 2.427 0.912 0.473 0.851 0.581 CB 1.508 75 residues pruned to eliminate duplicates Z: 8 13.190 1.794 0.305 0.838 1.000 0.429 CB 1.592 8 residues pruned to eliminate duplicates Z: 11 20.068 2.504 0.948 0.409 0.900 0.700 CB 1.590 11 residues pruned to eliminate duplicates Z: 9 12.480 1.889 0.386 0.819 0.875 0.625 CA 1.460 9 residues pruned to eliminate duplicates Z: 11 10.200 1.741 0.441 0.682 0.900 0.400 CA 1.208 11 residues pruned to eliminate duplicates Z: 50 35.398 2.335 1.024 0.407 0.837 0.449 CB 1.411 50 residues pruned to eliminate duplicates Z: 11 13.655 2.134 0.736 0.402 0.800 0.500 CA 1.614 11 residues pruned to eliminate duplicates Z: 9 15.671 1.940 0.576 0.809 1.000 0.750 CA 1.384 9 residues pruned to eliminate duplicates Z: 36 37.507 2.512 1.133 0.325 0.886 0.457 CB 1.619 36 residues pruned to eliminate duplicates Z: 133 108.694 2.573 1.148 0.527 0.932 0.636 CB 1.788 133 residues pruned to eliminate duplicates Z: 12 18.245 2.011 0.890 0.760 1.000 0.545 CB 1.148 12 residues pruned to eliminate duplicates 8 1.211 1.093 0.258 0.254 0.571 0.429 N 0.772 ? Z: 17 36.254 2.481 0.743 0.870 0.938 0.750 CA 1.632 17 residues pruned to eliminate duplicates Z: 21 33.717 2.339 1.007 0.467 0.950 0.600 CB 1.748 21 residues pruned to eliminate duplicates Z: 14 17.473 2.336 0.915 0.365 0.846 0.462 CB 1.480 14 residues pruned to eliminate duplicates Z: 131 95.523 2.493 0.983 0.552 0.946 0.585 CB 1.702 131 residues pruned to eliminate duplicates Z: 11 28.168 2.257 1.076 0.855 1.000 0.800 CB 1.402 11 residues pruned to eliminate duplicates Z: 23 31.111 2.355 1.009 0.410 0.909 0.636 CB 1.694 23 residues pruned to eliminate duplicates Z: 9 12.108 1.984 0.658 0.605 0.875 0.500 CB 1.346 9 residues pruned to eliminate duplicates Z: 17 33.296 2.298 0.831 0.871 1.000 0.750 CB 1.443 17 residues pruned to eliminate duplicates Z: 41 43.868 2.493 0.672 0.512 0.900 0.650 CB 1.827 41 residues pruned to eliminate duplicates Z: 38 49.480 2.466 0.926 0.516 0.946 0.676 CB 1.782 38 residues pruned to eliminate duplicates Z: 40 47.076 2.378 1.082 0.398 0.949 0.590 CB 1.788 40 residues pruned to eliminate duplicates Z: 59 51.274 2.398 1.016 0.387 0.914 0.638 CB 1.719 59 residues pruned to eliminate duplicates Z: 71 85.514 2.532 1.125 0.586 0.943 0.700 CB 1.856 71 residues pruned to eliminate duplicates Z: 40 48.680 2.496 0.963 0.569 0.897 0.590 CB 1.658 40 residues pruned to eliminate duplicates Z: 6 6.883 1.776 0.260 0.690 1.000 0.600 CA 1.156 6 residues pruned to eliminate duplicates Z: 60 86.151 2.585 1.125 0.629 0.966 0.644 CB 1.873 60 residues pruned to eliminate duplicates Z: 23 23.028 2.305 0.684 0.330 0.909 0.773 CB 1.677 23 residues pruned to eliminate duplicates Z: 11 6.972 1.734 0.418 0.634 0.700 0.300 CB 1.129 11 residues pruned to eliminate duplicates Z: 6 9.787 2.168 0.937 0.506 0.800 0.400 CB 1.295 5 residues pruned to eliminate duplicates Z: 67 81.711 2.544 1.063 0.610 0.955 0.682 CB 1.809 67 residues pruned to eliminate duplicates Z: 60 50.228 2.437 1.017 0.388 0.847 0.525 CB 1.767 60 residues pruned to eliminate duplicates Z: 20 33.718 2.401 1.164 0.436 0.895 0.684 CB 1.777 20 residues pruned to eliminate duplicates Z: 13 28.322 2.516 0.939 0.437 1.000 0.667 CB 1.788 13 residues pruned to eliminate duplicates Z: 108 89.008 2.482 1.059 0.515 0.935 0.673 CB 1.776 108 residues pruned to eliminate duplicates Z: 17 14.491 2.226 0.849 0.294 0.688 0.312 CB 1.612 17 residues pruned to eliminate duplicates Z: 60 49.988 2.391 0.987 0.402 0.932 0.627 CB 1.629 60 residues pruned to eliminate duplicates Z: 12 24.193 2.019 1.014 0.749 1.000 0.727 CB 1.436 12 residues pruned to eliminate duplicates Z: 13 12.107 2.001 0.709 0.373 0.833 0.500 CB 1.405 12 residues pruned to eliminate duplicates Z: 7 4.695 1.743 1.682 0.562 0.667 0.667 N 0.579 Z: 7 2.179 1.423 0.136 0.395 0.667 0.500 CB 0.922 7 residues pruned to eliminate duplicates Z: 26 37.131 2.378 1.066 0.599 0.960 0.680 CB 1.433 26 residues pruned to eliminate duplicates Z: 70 81.173 2.503 1.085 0.587 0.957 0.667 CB 1.801 70 residues pruned to eliminate duplicates Z: 9 13.954 2.197 0.668 0.346 0.875 0.625 CB 1.818 9 residues pruned to eliminate duplicates Z: 37 22.568 2.197 0.831 0.355 0.861 0.472 CB 1.269 37 residues pruned to eliminate duplicates Z: 7 15.193 2.143 0.877 0.438 1.000 0.833 CB 1.643 7 residues pruned to eliminate duplicates Z: 39 46.728 2.457 1.160 0.409 0.868 0.658 CB 1.810 39 residues pruned to eliminate duplicates Z: 7 3.010 1.856 -0.221 0.500 0.833 0.333 C 1.020 Z: 21 22.220 2.185 0.773 0.414 0.850 0.700 CB 1.651 21 residues pruned to eliminate duplicates Z: 31 27.525 2.499 0.945 0.325 0.767 0.500 CB 1.636 31 residues pruned to eliminate duplicates Z: 34 46.644 2.534 0.862 0.499 0.909 0.727 CB 1.894 34 residues pruned to eliminate duplicates Z: 31 51.118 2.602 1.035 0.583 0.933 0.667 CB 1.743 31 residues pruned to eliminate duplicates Z: 13 39.281 2.715 0.830 0.866 0.917 0.833 CB 1.823 13 residues pruned to eliminate duplicates Z: 51 53.761 2.440 1.063 0.555 0.860 0.700 CB 1.664 51 residues pruned to eliminate duplicates Z: 14 14.774 2.093 0.841 0.371 0.923 0.462 CB 1.322 14 residues pruned to eliminate duplicates Z: 108 88.143 2.515 1.094 0.515 0.916 0.664 CB 1.741 108 residues pruned to eliminate duplicates Z: 23 29.564 2.186 1.118 0.409 0.955 0.682 CB 1.569 23 residues pruned to eliminate duplicates Z: 66 88.244 2.531 1.100 0.604 0.969 0.646 CB 1.924 66 residues pruned to eliminate duplicates Z: 49 43.398 2.479 1.011 0.362 0.875 0.542 CB 1.666 49 residues pruned to eliminate duplicates 8 1.702 1.323 0.156 0.347 0.571 0.429 CB 0.869 ? Z: 6 2.122 1.496 0.716 0.298 0.600 0.400 CB 0.772 Z: 46 54.313 2.457 0.955 0.535 0.933 0.733 CB 1.745 46 residues pruned to eliminate duplicates Z: 35 36.742 2.228 0.999 0.522 0.912 0.559 CB 1.519 38 residues pruned to eliminate duplicates Z: 16 34.229 2.520 1.304 0.410 0.933 0.667 CB 1.793 16 residues pruned to eliminate duplicates Z: 29 20.242 2.199 0.624 0.409 0.750 0.571 CB 1.570 29 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 39 51.076 2.514 1.173 0.415 0.895 0.553 CB 1.853 39 residues pruned to eliminate duplicates Z: 108 95.696 2.562 1.025 0.532 0.935 0.664 CB 1.849 108 residues pruned to eliminate duplicates Z: 49 52.296 2.502 1.088 0.379 0.896 0.604 CB 1.835 49 residues pruned to eliminate duplicates Z: 30 43.386 2.482 0.990 0.392 0.966 0.621 CB 1.893 30 residues pruned to eliminate duplicates Z: 108 105.566 2.581 1.157 0.521 0.953 0.664 CB 1.883 108 residues pruned to eliminate duplicates Z: 7 9.291 1.849 0.698 0.387 1.000 0.333 CA 1.362 7 residues pruned to eliminate duplicates Z: 39 51.582 2.510 1.056 0.421 0.947 0.553 CB 1.858 40 residues pruned to eliminate duplicates Z: 6 3.967 1.777 0.949 0.292 0.600 0.600 CA 1.077 6 residues pruned to eliminate duplicates Z: 109 100.949 2.562 1.091 0.505 0.963 0.639 CB 1.873 109 residues pruned to eliminate duplicates Z: 111 96.621 2.525 1.118 0.502 0.945 0.655 CB 1.817 111 residues pruned to eliminate duplicates Z: 39 53.724 2.481 1.126 0.432 0.921 0.684 CB 1.925 39 residues pruned to eliminate duplicates Z: 108 100.373 2.560 1.138 0.514 0.935 0.654 CB 1.872 108 residues pruned to eliminate duplicates Z: 109 100.325 2.547 1.106 0.499 0.963 0.620 CB 1.870 109 residues pruned to eliminate duplicates Z: 108 100.385 2.567 1.108 0.524 0.935 0.617 CB 1.874 108 residues pruned to eliminate duplicates Z: 51 49.826 2.475 1.109 0.364 0.880 0.500 CB 1.775 51 residues pruned to eliminate duplicates Z: 48 59.365 2.523 1.170 0.413 0.936 0.596 CB 1.849 48 residues pruned to eliminate duplicates Z: 40 51.557 2.504 1.051 0.422 0.923 0.590 CB 1.888 40 residues pruned to eliminate duplicates Z: 38 53.281 2.530 1.141 0.428 0.919 0.649 CB 1.897 38 residues pruned to eliminate duplicates Z: 7 6.461 1.879 0.706 0.456 0.667 0.667 CA 1.292 7 residues pruned to eliminate duplicates Z: 40 50.674 2.489 1.175 0.411 0.897 0.564 CB 1.833 40 residues pruned to eliminate duplicates Z: 48 57.358 2.534 1.114 0.416 0.915 0.638 CB 1.864 48 residues pruned to eliminate duplicates Z: 39 53.739 2.512 1.173 0.426 0.921 0.579 CB 1.874 39 residues pruned to eliminate duplicates Z: 40 53.249 2.477 1.280 0.396 0.897 0.615 CB 1.878 40 residues pruned to eliminate duplicates Z: 39 53.522 2.485 1.243 0.416 0.921 0.632 CB 1.847 39 residues pruned to eliminate duplicates Z: 41 52.133 2.482 1.134 0.404 0.925 0.575 CB 1.862 41 residues pruned to eliminate duplicates Z: 40 49.546 2.459 1.147 0.410 0.897 0.641 CB 1.841 40 residues pruned to eliminate duplicates Z: 109 99.407 2.572 1.083 0.525 0.926 0.685 CB 1.881 109 residues pruned to eliminate duplicates Z: 48 56.778 2.489 1.167 0.397 0.936 0.638 CB 1.828 48 residues pruned to eliminate duplicates Z: 23 33.192 2.410 0.992 0.424 0.864 0.500 CB 1.847 23 residues pruned to eliminate duplicates Z: 110 103.216 2.545 1.180 0.515 0.954 0.716 CB 1.840 110 residues pruned to eliminate duplicates Z: 109 101.198 2.553 1.138 0.511 0.944 0.620 CB 1.869 109 residues pruned to eliminate duplicates Z: 109 98.381 2.554 1.121 0.510 0.917 0.630 CB 1.887 109 residues pruned to eliminate duplicates Z: 51 53.187 2.479 1.158 0.378 0.900 0.540 CB 1.780 51 residues pruned to eliminate duplicates Z: 49 55.028 2.494 1.067 0.401 0.938 0.583 CB 1.824 49 residues pruned to eliminate duplicates Z: 57 39.059 2.163 0.871 0.445 0.911 0.589 CB 1.499 57 residues pruned to eliminate duplicates Z: 49 51.210 2.500 1.064 0.389 0.896 0.604 CB 1.798 49 residues pruned to eliminate duplicates Z: 70 84.063 2.586 1.049 0.585 0.913 0.681 CB 1.928 70 residues pruned to eliminate duplicates Z: 9 29.619 2.553 1.190 0.489 1.000 0.625 CB 1.893 9 residues pruned to eliminate duplicates Z: 10 28.516 2.557 1.066 0.456 1.000 0.778 CB 1.881 10 residues pruned to eliminate duplicates Z: 118 91.177 2.522 1.006 0.551 0.897 0.658 CB 1.767 118 residues pruned to eliminate duplicates Z: 108 98.443 2.555 1.151 0.518 0.925 0.664 CB 1.839 108 residues pruned to eliminate duplicates Z: 70 88.399 2.599 1.120 0.594 0.957 0.696 CB 1.845 70 residues pruned to eliminate duplicates Z: 109 98.235 2.564 1.194 0.504 0.917 0.602 CB 1.826 109 residues pruned to eliminate duplicates Z: 69 95.002 2.594 1.125 0.607 0.985 0.676 CB 1.917 69 residues pruned to eliminate duplicates Z: 67 78.933 2.546 0.967 0.612 0.939 0.697 CB 1.857 67 residues pruned to eliminate duplicates Z: 70 76.820 2.564 0.966 0.576 0.928 0.638 CB 1.840 70 residues pruned to eliminate duplicates Z: 70 87.480 2.571 1.036 0.585 0.971 0.623 CB 1.911 70 residues pruned to eliminate duplicates Z: 108 97.792 2.554 1.104 0.507 0.935 0.626 CB 1.869 108 residues pruned to eliminate duplicates Z: 109 98.388 2.562 1.150 0.512 0.935 0.676 CB 1.817 109 residues pruned to eliminate duplicates Z: 70 82.393 2.589 0.995 0.587 0.942 0.681 CB 1.875 70 residues pruned to eliminate duplicates Z: 72 76.564 2.547 1.029 0.560 0.930 0.620 CB 1.785 72 residues pruned to eliminate duplicates Z: 108 99.636 2.557 1.088 0.513 0.944 0.626 CB 1.887 108 residues pruned to eliminate duplicates Z: 108 98.032 2.519 1.134 0.515 0.935 0.636 CB 1.858 108 residues pruned to eliminate duplicates Z: 70 82.864 2.572 1.017 0.581 0.942 0.667 CB 1.888 70 residues pruned to eliminate duplicates Z: 107 100.549 2.557 1.101 0.530 0.943 0.679 CB 1.872 107 residues pruned to eliminate duplicates Z: 71 82.731 2.538 1.038 0.564 0.943 0.671 CB 1.907 71 residues pruned to eliminate duplicates Z: 70 92.311 2.581 1.148 0.579 0.971 0.667 CB 1.913 70 residues pruned to eliminate duplicates Z: 72 84.887 2.544 1.104 0.575 0.958 0.648 CB 1.828 72 residues pruned to eliminate duplicates Z: 71 84.528 2.575 1.036 0.575 0.957 0.657 CB 1.873 71 residues pruned to eliminate duplicates Z: 138 101.244 2.515 1.060 0.512 0.927 0.657 CB 1.779 138 residues pruned to eliminate duplicates Z: 70 88.296 2.565 1.118 0.571 0.957 0.594 CB 1.910 70 residues pruned to eliminate duplicates Z: 71 86.399 2.547 1.074 0.579 0.957 0.671 CB 1.894 71 residues pruned to eliminate duplicates Z: 71 84.844 2.556 1.076 0.580 0.971 0.714 CB 1.822 71 residues pruned to eliminate duplicates Z: 109 103.946 2.559 1.195 0.522 0.935 0.620 CB 1.864 109 residues pruned to eliminate duplicates Z: 91 91.275 2.534 1.153 0.544 0.933 0.711 CB 1.810 91 residues pruned to eliminate duplicates Z: 66 91.780 2.624 1.069 0.621 0.985 0.723 CB 1.899 66 residues pruned to eliminate duplicates Z: 69 85.779 2.599 1.046 0.602 0.956 0.618 CB 1.857 69 residues pruned to eliminate duplicates Z: 70 86.108 2.597 1.005 0.588 0.957 0.652 CB 1.912 70 residues pruned to eliminate duplicates Z: 73 82.486 2.514 1.095 0.565 0.944 0.667 CB 1.836 73 residues pruned to eliminate duplicates Z: 108 104.050 2.579 1.152 0.527 0.944 0.673 CB 1.869 108 residues pruned to eliminate duplicates Z: 58 88.955 2.581 1.171 0.642 0.947 0.684 CB 1.943 58 residues pruned to eliminate duplicates Z: 109 97.444 2.543 1.135 0.508 0.935 0.593 CB 1.832 109 residues pruned to eliminate duplicates Z: 70 88.060 2.602 1.055 0.588 0.971 0.739 CB 1.876 70 residues pruned to eliminate duplicates Z: 71 88.161 2.579 1.062 0.598 0.957 0.729 CB 1.884 71 residues pruned to eliminate duplicates Z: 71 86.097 2.558 1.064 0.573 0.957 0.629 CB 1.897 71 residues pruned to eliminate duplicates Z: 108 100.601 2.545 1.166 0.524 0.925 0.636 CB 1.862 108 residues pruned to eliminate duplicates Z: 109 96.760 2.552 1.073 0.518 0.935 0.648 CB 1.849 109 residues pruned to eliminate duplicates Z: 153 103.778 2.500 0.963 0.535 0.934 0.645 CB 1.774 153 residues pruned to eliminate duplicates Z: 70 87.144 2.593 1.116 0.587 0.942 0.652 CB 1.866 70 residues pruned to eliminate duplicates Z: 71 85.104 2.547 1.115 0.573 0.957 0.629 CB 1.840 71 residues pruned to eliminate duplicates Z: 110 98.913 2.558 1.068 0.520 0.945 0.679 CB 1.859 110 residues pruned to eliminate duplicates Z: 54 87.736 2.593 1.163 0.619 0.981 0.698 CB 1.958 54 residues pruned to eliminate duplicates Z: 79 90.987 2.553 1.037 0.586 0.974 0.692 CB 1.872 79 residues pruned to eliminate duplicates Z: 108 102.460 2.573 1.104 0.528 0.944 0.673 CB 1.885 108 residues pruned to eliminate duplicates Z: 107 106.462 2.583 1.171 0.526 0.953 0.726 CB 1.886 107 residues pruned to eliminate duplicates Z: 23 67.134 2.710 1.066 0.878 0.955 0.773 CA 1.943 23 residues pruned to eliminate duplicates Z: 69 92.744 2.611 1.124 0.608 0.971 0.721 CB 1.886 69 residues pruned to eliminate duplicates Z: 108 99.544 2.570 1.165 0.512 0.935 0.701 CB 1.829 108 residues pruned to eliminate duplicates Z: 70 89.354 2.590 1.172 0.586 0.957 0.681 CB 1.841 70 residues pruned to eliminate duplicates Z: 109 101.270 2.555 1.128 0.522 0.944 0.630 CB 1.857 109 residues pruned to eliminate duplicates Z: 70 92.502 2.595 1.210 0.585 0.957 0.681 CB 1.870 70 residues pruned to eliminate duplicates Z: 70 86.945 2.583 1.129 0.594 0.942 0.594 CB 1.846 70 residues pruned to eliminate duplicates Z: 109 97.405 2.552 1.162 0.497 0.935 0.583 CB 1.822 109 residues pruned to eliminate duplicates Z: 65 93.449 2.602 1.086 0.628 1.000 0.672 CB 1.907 65 residues pruned to eliminate duplicates Z: 70 88.184 2.586 1.145 0.594 0.942 0.696 CB 1.858 70 residues pruned to eliminate duplicates Z: 108 102.019 2.570 1.173 0.515 0.935 0.626 CB 1.862 108 residues pruned to eliminate duplicates Z: 71 82.446 2.573 1.018 0.581 0.943 0.714 CB 1.862 71 residues pruned to eliminate duplicates Z: 71 86.481 2.560 1.064 0.587 0.957 0.671 CB 1.880 71 residues pruned to eliminate duplicates Z: 69 83.370 2.585 1.021 0.583 0.956 0.735 CB 1.869 69 residues pruned to eliminate duplicates Z: 70 88.199 2.597 1.080 0.588 0.957 0.739 CB 1.889 70 residues pruned to eliminate duplicates Z: 70 84.225 2.553 1.119 0.589 0.928 0.681 CB 1.855 70 residues pruned to eliminate duplicates Z: 70 85.826 2.560 1.070 0.590 0.942 0.696 CB 1.899 70 residues pruned to eliminate duplicates Z: 184 110.122 2.502 1.015 0.490 0.918 0.634 CB 1.776 184 residues pruned to eliminate duplicates Z: 186 110.482 2.502 1.080 0.490 0.903 0.600 CB 1.747 186 residues pruned to eliminate duplicates Z: 83 52.722 2.433 0.894 0.429 0.866 0.524 CB 1.570 83 residues pruned to eliminate duplicates Z: 49 54.861 2.546 1.005 0.543 0.875 0.708 CB 1.701 49 residues pruned to eliminate duplicates Z: 52 49.377 2.534 0.817 0.531 0.882 0.647 CB 1.652 52 residues pruned to eliminate duplicates Z: 79 55.162 2.391 0.978 0.456 0.885 0.526 CB 1.562 79 residues pruned to eliminate duplicates Z: 131 98.018 2.531 1.025 0.536 0.923 0.638 CB 1.753 131 residues pruned to eliminate duplicates Z: 52 49.563 2.439 0.993 0.515 0.902 0.627 CB 1.559 52 residues pruned to eliminate duplicates Z: 133 88.464 2.481 0.975 0.522 0.886 0.652 CB 1.735 133 residues pruned to eliminate duplicates Z: 107 61.876 2.398 0.939 0.472 0.858 0.585 CB 1.549 107 residues pruned to eliminate duplicates Z: 141 109.925 2.589 1.117 0.523 0.929 0.650 CB 1.784 141 residues pruned to eliminate duplicates Z: 49 50.189 2.482 0.936 0.558 0.875 0.562 CB 1.630 49 residues pruned to eliminate duplicates Z: 91 54.760 2.411 0.937 0.423 0.867 0.533 CB 1.545 91 residues pruned to eliminate duplicates Z: 60 49.511 2.445 0.919 0.488 0.864 0.610 CB 1.608 60 residues pruned to eliminate duplicates Z: 51 52.575 2.473 0.985 0.524 0.880 0.720 CB 1.680 51 residues pruned to eliminate duplicates Z: 115 63.167 2.369 0.959 0.451 0.886 0.570 CB 1.514 115 residues pruned to eliminate duplicates Z: 61 59.088 2.499 1.006 0.526 0.900 0.633 CB 1.647 61 residues pruned to eliminate duplicates Z: 77 54.311 2.446 0.933 0.471 0.829 0.566 CB 1.637 77 residues pruned to eliminate duplicates Z: 50 52.629 2.502 1.083 0.542 0.837 0.612 CB 1.654 50 residues pruned to eliminate duplicates Z: 121 95.747 2.535 1.036 0.553 0.900 0.683 CB 1.787 121 residues pruned to eliminate duplicates Z: 159 105.279 2.516 1.056 0.514 0.899 0.589 CB 1.776 159 residues pruned to eliminate duplicates Z: 50 48.783 2.508 0.857 0.532 0.898 0.571 CB 1.615 50 residues pruned to eliminate duplicates Z: 48 52.374 2.552 0.958 0.535 0.894 0.574 CB 1.653 48 residues pruned to eliminate duplicates Z: 80 42.961 2.348 0.830 0.406 0.835 0.443 CB 1.487 80 residues pruned to eliminate duplicates Z: 70 53.331 2.461 0.985 0.461 0.826 0.536 CB 1.655 70 residues pruned to eliminate duplicates Z: 162 97.515 2.430 1.032 0.524 0.894 0.627 CB 1.700 162 residues pruned to eliminate duplicates Z: 44 50.100 2.516 0.993 0.536 0.907 0.581 CB 1.621 44 residues pruned to eliminate duplicates Z: 49 48.396 2.418 0.984 0.496 0.896 0.583 CB 1.631 49 residues pruned to eliminate duplicates Z: 72 55.277 2.409 0.971 0.465 0.887 0.620 CB 1.613 72 residues pruned to eliminate duplicates Z: 71 51.513 2.452 0.971 0.438 0.843 0.571 CB 1.611 71 residues pruned to eliminate duplicates Z: 222 112.737 2.467 1.078 0.481 0.896 0.593 CB 1.684 222 residues pruned to eliminate duplicates Z: 51 47.489 2.456 0.985 0.523 0.860 0.680 CB 1.566 51 residues pruned to eliminate duplicates Z: 53 51.523 2.514 0.986 0.512 0.885 0.596 CB 1.599 53 residues pruned to eliminate duplicates Z: 113 93.165 2.543 1.021 0.542 0.920 0.643 CB 1.787 113 residues pruned to eliminate duplicates Z: 46 33.738 2.365 0.821 0.422 0.822 0.644 CB 1.541 46 residues pruned to eliminate duplicates Z: 76 57.958 2.464 1.009 0.461 0.880 0.573 CB 1.598 76 residues pruned to eliminate duplicates Z: 80 52.498 2.417 0.920 0.453 0.848 0.570 CB 1.575 80 residues pruned to eliminate duplicates Z: 45 46.545 2.494 0.833 0.533 0.932 0.568 CB 1.594 45 residues pruned to eliminate duplicates Z: 183 104.692 2.483 1.026 0.485 0.912 0.632 CB 1.717 183 residues pruned to eliminate duplicates Z: 50 52.787 2.521 0.978 0.531 0.898 0.612 CB 1.634 50 residues pruned to eliminate duplicates Z: 114 64.531 2.383 0.918 0.459 0.885 0.566 CB 1.566 114 residues pruned to eliminate duplicates Z: 169 110.845 2.537 1.024 0.513 0.923 0.637 CB 1.783 169 residues pruned to eliminate duplicates Z: 62 54.147 2.452 0.955 0.515 0.885 0.590 CB 1.609 62 residues pruned to eliminate duplicates Z: 51 49.403 2.478 0.988 0.511 0.860 0.620 CB 1.631 51 residues pruned to eliminate duplicates Z: 100 62.052 2.376 0.991 0.477 0.889 0.495 CB 1.518 100 residues pruned to eliminate duplicates Z: 67 53.851 2.406 0.972 0.468 0.909 0.621 CB 1.588 67 residues pruned to eliminate duplicates Z: 133 72.469 2.349 0.924 0.464 0.917 0.568 CB 1.579 133 residues pruned to eliminate duplicates Z: 83 51.655 2.370 1.004 0.441 0.829 0.573 CB 1.540 83 residues pruned to eliminate duplicates Z: 11 14.323 2.163 0.909 0.439 0.800 0.500 CB 1.460 11 residues pruned to eliminate duplicates Z: 37 24.054 2.232 0.750 0.358 0.806 0.472 CB 1.485 37 residues pruned to eliminate duplicates Z: 48 35.662 2.271 0.852 0.434 0.894 0.532 CB 1.482 48 residues pruned to eliminate duplicates Z: 58 44.311 2.366 0.948 0.405 0.895 0.491 CB 1.573 58 residues pruned to eliminate duplicates Z: 23 20.795 2.212 0.879 0.348 0.818 0.591 CB 1.539 23 residues pruned to eliminate duplicates Z: 75 55.313 2.415 0.957 0.481 0.892 0.595 CB 1.554 75 residues pruned to eliminate duplicates Z: 68 42.104 2.228 0.930 0.405 0.896 0.537 CB 1.476 68 residues pruned to eliminate duplicates Z: 99 45.575 2.225 0.834 0.398 0.867 0.582 CB 1.449 99 residues pruned to eliminate duplicates Z: 25 23.927 2.138 1.137 0.337 0.833 0.542 CB 1.533 25 residues pruned to eliminate duplicates Z: 11 16.797 2.326 0.975 0.404 0.800 0.700 CB 1.599 11 residues pruned to eliminate duplicates Z: 14 15.409 2.220 0.794 0.278 0.923 0.538 CB 1.495 14 residues pruned to eliminate duplicates Z: 63 40.232 2.276 0.957 0.396 0.887 0.532 CB 1.443 61 residues pruned to eliminate duplicates Z: 6 6.278 1.684 0.829 0.298 1.000 0.400 CA 1.143 6 residues pruned to eliminate duplicates Z: 30 23.203 2.264 0.802 0.342 0.897 0.483 CB 1.399 30 residues pruned to eliminate duplicates Z: 50 38.090 2.264 0.949 0.422 0.898 0.510 CB 1.490 50 residues pruned to eliminate duplicates Z: 51 39.665 2.277 1.067 0.426 0.900 0.560 CB 1.430 51 residues pruned to eliminate duplicates Z: 41 31.102 2.181 1.118 0.418 0.850 0.525 CB 1.365 41 residues pruned to eliminate duplicates Z: 52 35.043 2.235 0.979 0.416 0.863 0.490 CB 1.403 52 residues pruned to eliminate duplicates Z: 52 36.830 2.265 1.017 0.427 0.863 0.510 CB 1.412 52 residues pruned to eliminate duplicates Z: 7 7.004 1.921 0.355 0.371 1.000 0.500 CB 1.260 7 residues pruned to eliminate duplicates Z: 16 12.953 2.099 0.867 0.392 0.733 0.467 CB 1.304 16 residues pruned to eliminate duplicates Z: 88 47.443 2.253 0.975 0.419 0.874 0.540 CB 1.424 88 residues pruned to eliminate duplicates Z: 15 19.425 2.331 0.972 0.374 0.786 0.500 CB 1.645 15 residues pruned to eliminate duplicates Z: 29 20.027 2.233 0.823 0.318 0.786 0.536 CB 1.446 29 residues pruned to eliminate duplicates Z: 11 6.690 1.996 0.690 0.240 0.700 0.400 CB 1.211 11 residues pruned to eliminate duplicates Z: 52 33.945 2.217 0.903 0.386 0.902 0.510 CB 1.410 52 residues pruned to eliminate duplicates Z: 51 42.784 2.301 1.073 0.435 0.900 0.540 CB 1.507 51 residues pruned to eliminate duplicates Z: 169 102.324 2.474 1.051 0.516 0.911 0.595 CB 1.682 169 residues pruned to eliminate duplicates Z: 37 34.255 2.229 1.064 0.474 0.889 0.500 CB 1.434 37 residues pruned to eliminate duplicates Z: 64 40.423 2.275 1.029 0.412 0.857 0.524 CB 1.411 64 residues pruned to eliminate duplicates Z: 52 37.472 2.277 1.003 0.437 0.882 0.431 CB 1.391 52 residues pruned to eliminate duplicates Z: 42 34.883 2.225 1.089 0.460 0.902 0.512 CB 1.354 42 residues pruned to eliminate duplicates Z: 51 34.575 2.218 0.991 0.412 0.860 0.440 CB 1.412 51 residues pruned to eliminate duplicates Z: 30 24.095 2.128 0.928 0.442 0.897 0.448 CB 1.291 30 residues pruned to eliminate duplicates Z: 37 32.521 2.183 1.078 0.472 0.833 0.556 CB 1.475 37 residues pruned to eliminate duplicates Z: 53 37.380 2.231 1.049 0.429 0.885 0.500 CB 1.380 53 residues pruned to eliminate duplicates Z: 58 37.764 2.216 1.035 0.387 0.877 0.544 CB 1.426 58 residues pruned to eliminate duplicates Z: 29 25.043 2.144 1.010 0.439 0.929 0.429 CB 1.259 29 residues pruned to eliminate duplicates Z: 97 63.296 2.356 1.012 0.489 0.906 0.521 CB 1.520 97 residues pruned to eliminate duplicates Z: 38 34.728 2.189 1.091 0.485 0.919 0.486 CB 1.379 38 residues pruned to eliminate duplicates Z: 38 34.011 2.187 1.077 0.461 0.892 0.405 CB 1.436 38 residues pruned to eliminate duplicates Z: 51 37.138 2.226 1.101 0.395 0.900 0.580 CB 1.394 51 residues pruned to eliminate duplicates Z: 53 33.188 2.222 1.004 0.416 0.808 0.442 CB 1.397 53 residues pruned to eliminate duplicates Z: 40 37.016 2.250 1.122 0.458 0.897 0.487 CB 1.445 40 residues pruned to eliminate duplicates Z: 12 25.093 2.028 0.983 0.825 0.909 0.545 CB 1.562 12 residues pruned to eliminate duplicates Z: 38 33.440 2.181 1.096 0.467 0.892 0.459 CB 1.394 38 residues pruned to eliminate duplicates Z: 40 36.274 2.265 1.128 0.458 0.897 0.436 CB 1.402 40 residues pruned to eliminate duplicates Z: 13 33.723 2.134 1.050 0.735 1.000 0.833 CB 1.803 13 residues pruned to eliminate duplicates Z: 37 36.367 2.242 1.080 0.491 0.889 0.556 CB 1.475 37 residues pruned to eliminate duplicates Z: 36 40.003 2.268 1.147 0.497 0.943 0.571 CB 1.477 36 residues pruned to eliminate duplicates Z: 7 4.291 1.454 0.930 0.382 0.833 0.667 CB 0.850 7 residues pruned to eliminate duplicates Z: 37 33.375 2.234 1.049 0.470 0.889 0.528 CB 1.409 37 residues pruned to eliminate duplicates Z: 37 36.478 2.243 1.120 0.479 0.889 0.556 CB 1.470 37 residues pruned to eliminate duplicates Z: 172 107.479 2.505 1.061 0.494 0.906 0.596 CB 1.767 172 residues pruned to eliminate duplicates Z: 37 35.067 2.217 1.160 0.472 0.889 0.611 CB 1.413 37 residues pruned to eliminate duplicates Z: 37 32.099 2.216 0.968 0.481 0.861 0.611 CB 1.452 37 residues pruned to eliminate duplicates Z: 39 33.593 2.179 1.067 0.470 0.868 0.553 CB 1.436 39 residues pruned to eliminate duplicates Z: 25 37.235 2.303 1.046 0.565 0.917 0.583 CB 1.652 25 residues pruned to eliminate duplicates Z: 13 23.119 2.333 1.004 0.478 0.917 0.583 CB 1.591 13 residues pruned to eliminate duplicates Z: 7 7.286 1.676 1.183 0.361 0.833 0.167 CB 1.133 7 residues pruned to eliminate duplicates Z: 39 46.148 2.422 1.125 0.404 0.921 0.579 CB 1.747 39 residues pruned to eliminate duplicates Z: 49 49.120 2.428 1.022 0.413 0.938 0.562 CB 1.687 49 residues pruned to eliminate duplicates Z: 78 67.628 2.444 1.072 0.437 0.935 0.636 CB 1.737 78 residues pruned to eliminate duplicates Z: 50 51.816 2.457 1.106 0.395 0.939 0.592 CB 1.703 50 residues pruned to eliminate duplicates Z: 107 89.970 2.527 1.027 0.519 0.953 0.623 CB 1.757 107 residues pruned to eliminate duplicates Z: 78 65.072 2.443 1.014 0.431 0.935 0.623 CB 1.732 78 residues pruned to eliminate duplicates Z: 79 61.017 2.397 0.944 0.446 0.897 0.615 CB 1.747 79 residues pruned to eliminate duplicates Z: 108 91.020 2.530 1.058 0.510 0.953 0.654 CB 1.755 108 residues pruned to eliminate duplicates Z: 32 37.545 2.422 1.007 0.356 0.903 0.548 CB 1.793 32 residues pruned to eliminate duplicates Z: 49 49.845 2.410 1.072 0.415 0.917 0.625 CB 1.718 49 residues pruned to eliminate duplicates Z: 106 83.504 2.504 1.039 0.482 0.924 0.648 CB 1.759 106 residues pruned to eliminate duplicates Z: 37 51.210 2.502 1.240 0.412 0.944 0.639 CB 1.768 37 residues pruned to eliminate duplicates Z: 50 50.896 2.427 1.123 0.402 0.918 0.531 CB 1.704 50 residues pruned to eliminate duplicates Z: 109 97.053 2.521 1.112 0.524 0.954 0.639 CB 1.796 108 residues pruned to eliminate duplicates Z: 6 4.753 1.686 0.809 0.302 0.800 0.600 CA 1.086 6 residues pruned to eliminate duplicates Z: 40 47.047 2.432 1.204 0.405 0.897 0.615 CB 1.730 40 residues pruned to eliminate duplicates Z: 6 9.209 1.968 0.824 0.332 0.800 0.800 CB 1.723 6 residues pruned to eliminate duplicates Z: 183 113.410 2.565 1.002 0.498 0.923 0.654 CB 1.777 183 residues pruned to eliminate duplicates Z: 40 47.010 2.424 1.162 0.400 0.923 0.667 CB 1.730 40 residues pruned to eliminate duplicates Z: 108 90.386 2.522 1.108 0.508 0.925 0.673 CB 1.763 108 residues pruned to eliminate duplicates Z: 108 90.603 2.533 1.027 0.525 0.963 0.654 CB 1.729 108 residues pruned to eliminate duplicates Z: 134 104.163 2.557 1.083 0.529 0.925 0.669 CB 1.782 134 residues pruned to eliminate duplicates Z: 39 42.641 2.462 0.927 0.401 0.921 0.553 CB 1.757 39 residues pruned to eliminate duplicates Z: 37 44.544 2.477 1.037 0.408 0.944 0.556 CB 1.715 37 residues pruned to eliminate duplicates Z: 108 89.941 2.538 1.064 0.512 0.944 0.682 CB 1.737 108 residues pruned to eliminate duplicates Z: 87 73.881 2.465 0.968 0.543 0.907 0.686 CB 1.736 87 residues pruned to eliminate duplicates Z: 108 89.252 2.523 1.001 0.520 0.925 0.701 CB 1.811 108 residues pruned to eliminate duplicates Z: 37 46.282 2.473 1.083 0.414 0.944 0.556 CB 1.733 37 residues pruned to eliminate duplicates Z: 108 90.342 2.527 1.010 0.529 0.944 0.626 CB 1.770 108 residues pruned to eliminate duplicates Z: 110 84.553 2.496 0.987 0.515 0.917 0.688 CB 1.753 110 residues pruned to eliminate duplicates Z: 108 88.607 2.524 1.004 0.524 0.935 0.692 CB 1.770 108 residues pruned to eliminate duplicates Z: 108 90.748 2.506 1.093 0.513 0.953 0.673 CB 1.732 108 residues pruned to eliminate duplicates Z: 112 84.791 2.468 1.006 0.499 0.946 0.622 CB 1.721 112 residues pruned to eliminate duplicates Z: 82 80.322 2.505 0.998 0.553 0.951 0.704 CB 1.781 82 residues pruned to eliminate duplicates Z: 109 90.318 2.503 1.046 0.517 0.944 0.667 CB 1.767 109 residues pruned to eliminate duplicates Z: 107 90.493 2.527 1.038 0.512 0.953 0.670 CB 1.770 107 residues pruned to eliminate duplicates Z: 107 92.296 2.538 1.052 0.526 0.934 0.689 CB 1.797 107 residues pruned to eliminate duplicates Z: 82 62.982 2.384 0.892 0.503 0.926 0.654 CB 1.671 82 residues pruned to eliminate duplicates Z: 109 90.746 2.515 1.063 0.500 0.944 0.667 CB 1.783 109 residues pruned to eliminate duplicates Z: 109 88.122 2.518 0.985 0.514 0.935 0.676 CB 1.790 109 residues pruned to eliminate duplicates Z: 107 91.697 2.549 1.055 0.507 0.943 0.708 CB 1.790 107 residues pruned to eliminate duplicates Z: 70 84.129 2.559 1.093 0.570 0.971 0.681 CB 1.821 70 residues pruned to eliminate duplicates Z: 78 65.850 2.442 0.989 0.445 0.935 0.649 CB 1.749 78 residues pruned to eliminate duplicates Z: 70 86.227 2.540 1.079 0.584 0.986 0.725 CB 1.841 70 residues pruned to eliminate duplicates Z: 132 96.144 2.554 1.012 0.499 0.924 0.656 CB 1.771 132 residues pruned to eliminate duplicates Z: 91 76.276 2.475 0.947 0.525 0.922 0.567 CB 1.766 91 residues pruned to eliminate duplicates Z: 94 85.965 2.600 1.067 0.536 0.903 0.581 CB 1.772 94 residues pruned to eliminate duplicates Z: 108 94.317 2.509 1.066 0.516 0.972 0.664 CB 1.781 108 residues pruned to eliminate duplicates Z: 70 86.632 2.555 1.055 0.586 0.971 0.681 CB 1.884 70 residues pruned to eliminate duplicates Z: 82 83.200 2.514 1.113 0.556 0.938 0.679 CB 1.755 82 residues pruned to eliminate duplicates Z: 82 78.649 2.524 1.003 0.545 0.938 0.605 CB 1.763 82 residues pruned to eliminate duplicates Z: 145 104.460 2.524 1.018 0.519 0.917 0.681 CB 1.829 145 residues pruned to eliminate duplicates Z: 69 84.781 2.589 1.063 0.582 0.971 0.750 CB 1.832 69 residues pruned to eliminate duplicates Z: 109 92.378 2.519 1.057 0.514 0.954 0.630 CB 1.773 109 residues pruned to eliminate duplicates Z: 70 85.778 2.560 1.091 0.585 0.971 0.667 CB 1.830 70 residues pruned to eliminate duplicates Z: 67 78.887 2.526 1.011 0.587 0.970 0.697 CB 1.813 67 residues pruned to eliminate duplicates Z: 62 83.632 2.554 0.978 0.657 0.967 0.754 CB 1.894 62 residues pruned to eliminate duplicates Z: 108 91.233 2.536 1.086 0.524 0.935 0.682 CB 1.743 108 residues pruned to eliminate duplicates Z: 72 78.859 2.555 0.946 0.592 0.958 0.789 CB 1.799 72 residues pruned to eliminate duplicates Z: 109 88.321 2.505 1.036 0.506 0.935 0.676 CB 1.771 109 residues pruned to eliminate duplicates Z: 72 77.903 2.532 0.971 0.552 0.958 0.704 CB 1.839 72 residues pruned to eliminate duplicates Z: 69 85.749 2.594 1.136 0.596 0.956 0.794 CB 1.792 69 residues pruned to eliminate duplicates Z: 82 74.196 2.484 0.986 0.532 0.926 0.691 CB 1.749 82 residues pruned to eliminate duplicates Z: 70 86.855 2.566 1.145 0.584 0.957 0.652 CB 1.832 70 residues pruned to eliminate duplicates Z: 71 83.261 2.560 1.071 0.590 0.943 0.686 CB 1.827 71 residues pruned to eliminate duplicates Z: 72 83.595 2.544 1.069 0.567 0.972 0.732 CB 1.817 72 residues pruned to eliminate duplicates Z: 108 95.255 2.515 1.077 0.526 0.953 0.673 CB 1.802 108 residues pruned to eliminate duplicates Z: 134 102.419 2.566 1.013 0.529 0.932 0.609 CB 1.792 134 residues pruned to eliminate duplicates Z: 109 94.808 2.523 1.050 0.525 0.954 0.722 CB 1.804 109 residues pruned to eliminate duplicates Z: 67 79.004 2.564 1.108 0.539 0.955 0.682 CB 1.815 67 residues pruned to eliminate duplicates Z: 70 85.962 2.555 1.112 0.575 0.971 0.667 CB 1.838 70 residues pruned to eliminate duplicates Z: 70 76.480 2.561 1.027 0.575 0.928 0.652 CB 1.779 70 residues pruned to eliminate duplicates Z: 109 95.209 2.520 1.067 0.525 0.954 0.704 CB 1.800 109 residues pruned to eliminate duplicates Z: 23 58.667 2.641 0.743 0.901 1.000 0.909 CA 1.940 23 residues pruned to eliminate duplicates Z: 108 89.200 2.529 1.037 0.515 0.916 0.692 CB 1.800 108 residues pruned to eliminate duplicates Z: 108 93.062 2.524 1.047 0.526 0.953 0.701 CB 1.779 108 residues pruned to eliminate duplicates Z: 109 88.718 2.503 1.015 0.506 0.963 0.704 CB 1.748 109 residues pruned to eliminate duplicates Z: 111 87.486 2.496 1.049 0.490 0.936 0.655 CB 1.759 111 residues pruned to eliminate duplicates Z: 83 80.809 2.495 1.074 0.542 0.939 0.720 CB 1.762 83 residues pruned to eliminate duplicates Z: 109 91.121 2.518 1.070 0.513 0.935 0.667 CB 1.775 109 residues pruned to eliminate duplicates Z: 24 63.443 2.589 1.013 0.906 0.957 0.913 CA 1.887 24 residues pruned to eliminate duplicates Z: 61 81.747 2.546 1.051 0.605 0.983 0.717 CB 1.859 61 residues pruned to eliminate duplicates Z: 110 88.522 2.512 1.008 0.508 0.936 0.697 CB 1.783 110 residues pruned to eliminate duplicates Z: 82 81.129 2.522 0.981 0.556 0.963 0.654 CB 1.774 82 residues pruned to eliminate duplicates Z: 70 82.065 2.540 1.127 0.576 0.957 0.609 CB 1.778 70 residues pruned to eliminate duplicates Z: 108 91.553 2.522 1.133 0.520 0.916 0.682 CB 1.761 108 residues pruned to eliminate duplicates Z: 82 83.629 2.509 1.075 0.570 0.951 0.691 CB 1.756 82 residues pruned to eliminate duplicates Z: 94 95.432 2.587 1.102 0.580 0.946 0.710 CB 1.782 94 residues pruned to eliminate duplicates Z: 81 87.318 2.518 1.115 0.560 0.975 0.688 CB 1.774 81 residues pruned to eliminate duplicates Z: 100 82.866 2.483 1.053 0.506 0.919 0.616 CB 1.766 100 residues pruned to eliminate duplicates Z: 62 73.394 2.509 1.087 0.588 0.967 0.672 CB 1.705 62 residues pruned to eliminate duplicates Z: 109 93.018 2.525 1.091 0.512 0.954 0.630 CB 1.756 109 residues pruned to eliminate duplicates Z: 83 81.020 2.508 1.112 0.531 0.939 0.695 CB 1.744 83 residues pruned to eliminate duplicates Z: 109 96.325 2.512 1.091 0.519 0.963 0.667 CB 1.799 109 residues pruned to eliminate duplicates Z: 70 81.604 2.568 1.069 0.582 0.957 0.710 CB 1.787 70 residues pruned to eliminate duplicates Z: 70 77.840 2.569 1.048 0.560 0.942 0.710 CB 1.784 70 residues pruned to eliminate duplicates Z: 84 86.293 2.482 1.106 0.550 0.964 0.663 CB 1.791 84 residues pruned to eliminate duplicates Z: 70 85.354 2.570 1.135 0.585 0.957 0.725 CB 1.804 70 residues pruned to eliminate duplicates Z: 70 85.039 2.582 1.131 0.595 0.942 0.725 CB 1.803 70 residues pruned to eliminate duplicates Z: 69 85.646 2.587 1.134 0.585 0.956 0.735 CB 1.815 69 residues pruned to eliminate duplicates Z: 70 83.778 2.576 1.112 0.588 0.957 0.696 CB 1.782 70 residues pruned to eliminate duplicates Z: 96 97.555 2.620 1.089 0.584 0.937 0.621 CB 1.801 96 residues pruned to eliminate duplicates Z: 31 39.744 2.621 1.007 0.493 0.833 0.633 CB 1.667 31 residues pruned to eliminate duplicates Z: 30 44.213 2.625 0.957 0.558 0.897 0.552 CB 1.685 30 residues pruned to eliminate duplicates Z: 170 108.625 2.548 1.102 0.501 0.905 0.586 CB 1.721 170 residues pruned to eliminate duplicates Z: 49 62.055 2.659 1.040 0.551 0.854 0.688 CB 1.839 49 residues pruned to eliminate duplicates Z: 113 97.590 2.552 1.037 0.572 0.938 0.661 CB 1.764 113 residues pruned to eliminate duplicates Z: 113 75.054 2.537 1.041 0.465 0.866 0.580 CB 1.639 113 residues pruned to eliminate duplicates Z: 55 57.462 2.601 1.047 0.508 0.852 0.593 CB 1.711 55 residues pruned to eliminate duplicates Z: 50 55.192 2.599 1.044 0.501 0.857 0.592 CB 1.730 50 residues pruned to eliminate duplicates Z: 87 89.362 2.574 1.070 0.572 0.953 0.721 CB 1.769 87 residues pruned to eliminate duplicates Z: 64 63.738 2.607 1.055 0.490 0.873 0.667 CB 1.735 64 residues pruned to eliminate duplicates Z: 27 52.145 2.698 1.138 0.577 0.923 0.692 CB 1.783 27 residues pruned to eliminate duplicates Z: 114 76.185 2.506 1.081 0.463 0.894 0.602 CB 1.598 114 residues pruned to eliminate duplicates Z: 15 52.767 2.543 1.562 0.871 1.000 0.857 CB 1.578 15 residues pruned to eliminate duplicates Z: 124 95.808 2.539 0.981 0.529 0.927 0.691 CB 1.801 124 residues pruned to eliminate duplicates Z: 76 67.875 2.604 1.134 0.468 0.867 0.600 CB 1.681 76 residues pruned to eliminate duplicates Z: 103 77.398 2.572 1.029 0.461 0.912 0.569 CB 1.676 103 residues pruned to eliminate duplicates Z: 74 66.561 2.577 1.083 0.490 0.849 0.548 CB 1.726 74 residues pruned to eliminate duplicates Z: 104 72.861 2.566 1.078 0.462 0.864 0.583 CB 1.619 104 residues pruned to eliminate duplicates Z: 25 48.955 2.755 1.116 0.579 0.875 0.625 CB 1.816 25 residues pruned to eliminate duplicates Z: 76 70.972 2.625 1.056 0.481 0.893 0.600 CB 1.733 76 residues pruned to eliminate duplicates Z: 72 59.099 2.563 0.982 0.457 0.831 0.577 CB 1.735 72 residues pruned to eliminate duplicates Z: 86 67.402 2.543 1.030 0.429 0.929 0.612 CB 1.639 86 residues pruned to eliminate duplicates Z: 43 60.724 2.665 1.071 0.547 0.881 0.619 CB 1.840 43 residues pruned to eliminate duplicates Z: 54 53.262 2.521 0.943 0.496 0.887 0.623 CB 1.691 54 residues pruned to eliminate duplicates Z: 64 54.917 2.516 0.903 0.481 0.873 0.651 CB 1.688 64 residues pruned to eliminate duplicates Z: 108 103.970 2.607 1.086 0.577 0.944 0.664 CB 1.818 108 residues pruned to eliminate duplicates Z: 68 51.474 2.482 1.043 0.397 0.851 0.582 CB 1.625 68 residues pruned to eliminate duplicates Z: 63 68.351 2.626 1.027 0.497 0.903 0.613 CB 1.811 63 residues pruned to eliminate duplicates Z: 50 64.130 2.665 1.075 0.526 0.898 0.653 CB 1.799 50 residues pruned to eliminate duplicates Z: 50 61.320 2.629 1.050 0.530 0.878 0.592 CB 1.798 50 residues pruned to eliminate duplicates Z: 142 106.035 2.565 1.096 0.515 0.922 0.645 CB 1.775 142 residues pruned to eliminate duplicates Z: 47 54.761 2.574 1.023 0.536 0.870 0.500 CB 1.721 47 residues pruned to eliminate duplicates Z: 118 75.442 2.516 1.035 0.444 0.889 0.556 CB 1.624 118 residues pruned to eliminate duplicates Z: 80 57.862 2.503 1.052 0.427 0.823 0.544 CB 1.662 80 residues pruned to eliminate duplicates Z: 182 115.281 2.540 1.158 0.494 0.912 0.619 CB 1.725 182 residues pruned to eliminate duplicates Z: 35 36.567 2.483 0.879 0.436 0.853 0.647 CB 1.683 35 residues pruned to eliminate duplicates Z: 64 53.215 2.495 0.948 0.408 0.873 0.571 CB 1.739 64 residues pruned to eliminate duplicates Z: 82 53.037 2.386 0.928 0.409 0.901 0.519 CB 1.565 82 residues pruned to eliminate duplicates Z: 156 107.648 2.558 1.053 0.512 0.910 0.677 CB 1.788 156 residues pruned to eliminate duplicates Z: 29 32.340 2.512 0.662 0.427 0.893 0.607 CB 1.769 29 residues pruned to eliminate duplicates Z: 69 53.536 2.418 1.189 0.382 0.882 0.515 CB 1.576 69 residues pruned to eliminate duplicates Z: 78 66.688 2.514 0.978 0.473 0.896 0.597 CB 1.752 78 residues pruned to eliminate duplicates Z: 49 53.287 2.560 0.978 0.534 0.854 0.625 CB 1.720 49 residues pruned to eliminate duplicates Z: 48 62.921 2.678 1.013 0.547 0.915 0.745 CB 1.777 48 residues pruned to eliminate duplicates Z: 35 40.633 2.554 0.800 0.471 0.882 0.559 CB 1.769 35 residues pruned to eliminate duplicates Z: 38 33.568 2.304 0.954 0.327 0.919 0.351 CB 1.613 38 residues pruned to eliminate duplicates Z: 30 40.054 2.556 1.002 0.488 0.828 0.655 CB 1.779 30 residues pruned to eliminate duplicates Z: 90 57.406 2.458 0.946 0.420 0.843 0.539 CB 1.641 90 residues pruned to eliminate duplicates Z: 79 70.610 2.535 1.099 0.450 0.910 0.500 CB 1.737 79 residues pruned to eliminate duplicates Z: 52 62.369 2.640 1.010 0.515 0.902 0.549 CB 1.798 52 residues pruned to eliminate duplicates Z: 78 69.761 2.578 1.106 0.451 0.909 0.494 CB 1.694 78 residues pruned to eliminate duplicates Z: 61 50.866 2.476 1.101 0.433 0.883 0.483 CB 1.531 61 residues pruned to eliminate duplicates Z: 34 37.263 2.504 1.100 0.383 0.818 0.424 CB 1.707 34 residues pruned to eliminate duplicates Z: 63 54.380 2.476 1.065 0.426 0.919 0.500 CB 1.586 63 residues pruned to eliminate duplicates Z: 6 6.050 2.015 0.567 0.276 0.800 0.400 CA 1.381 6 residues pruned to eliminate duplicates Z: 29 28.205 2.371 0.919 0.342 0.893 0.464 CB 1.558 29 residues pruned to eliminate duplicates Z: 61 52.153 2.522 0.971 0.402 0.900 0.617 CB 1.668 61 residues pruned to eliminate duplicates Z: 15 16.128 2.317 0.890 0.306 0.786 0.429 CB 1.554 15 residues pruned to eliminate duplicates Z: 21 30.851 2.477 1.204 0.336 0.850 0.500 CB 1.777 21 residues pruned to eliminate duplicates Z: 29 30.951 2.468 0.924 0.343 0.893 0.464 CB 1.637 29 residues pruned to eliminate duplicates Z: 31 24.966 2.327 0.864 0.338 0.800 0.433 CB 1.568 31 residues pruned to eliminate duplicates Z: 33 32.837 2.356 1.104 0.341 0.875 0.375 CB 1.592 33 residues pruned to eliminate duplicates Z: 29 31.928 2.373 1.171 0.378 0.857 0.464 CB 1.557 29 residues pruned to eliminate duplicates Z: 20 18.250 2.263 1.118 0.293 0.789 0.211 CB 1.396 20 residues pruned to eliminate duplicates Z: 24 26.837 2.355 1.212 0.356 0.783 0.478 CB 1.603 24 residues pruned to eliminate duplicates Z: 32 23.544 2.306 1.129 0.292 0.774 0.419 CB 1.404 32 residues pruned to eliminate duplicates Z: 63 50.457 2.420 0.996 0.453 0.887 0.516 CB 1.569 63 residues pruned to eliminate duplicates Z: 12 7.500 1.873 0.581 0.233 0.727 0.273 CB 1.431 12 residues pruned to eliminate duplicates Z: 16 19.428 2.384 0.998 0.294 0.867 0.400 CB 1.530 16 residues pruned to eliminate duplicates Z: 10 5.136 2.060 0.822 0.141 0.778 0.222 CB 0.915 10 residues pruned to eliminate duplicates Z: 38 39.047 2.470 1.088 0.427 0.865 0.486 CB 1.553 38 residues pruned to eliminate duplicates Z: 28 25.872 2.477 1.012 0.341 0.778 0.481 CB 1.528 28 residues pruned to eliminate duplicates Z: 185 113.047 2.531 1.094 0.490 0.918 0.647 CB 1.730 185 residues pruned to eliminate duplicates Z: 23 15.736 2.182 0.707 0.305 0.864 0.409 CB 1.295 23 residues pruned to eliminate duplicates Z: 54 44.136 2.414 1.124 0.403 0.887 0.491 CB 1.477 54 residues pruned to eliminate duplicates Z: 40 42.224 2.412 1.114 0.464 0.923 0.410 CB 1.490 40 residues pruned to eliminate duplicates Z: 112 75.069 2.497 1.094 0.462 0.892 0.559 CB 1.588 112 residues pruned to eliminate duplicates Z: 50 50.346 2.500 1.200 0.455 0.898 0.510 CB 1.525 50 residues pruned to eliminate duplicates Z: 55 45.696 2.413 1.147 0.426 0.907 0.537 CB 1.428 55 residues pruned to eliminate duplicates Z: 38 47.333 2.504 1.264 0.459 0.892 0.486 CB 1.604 38 residues pruned to eliminate duplicates Z: 25 36.965 2.422 1.330 0.522 0.875 0.583 CB 1.494 25 residues pruned to eliminate duplicates Z: 64 47.620 2.461 1.101 0.400 0.857 0.444 CB 1.505 64 residues pruned to eliminate duplicates Z: 36 38.108 2.460 1.076 0.495 0.857 0.571 CB 1.479 36 residues pruned to eliminate duplicates Z: 61 51.941 2.467 1.113 0.413 0.900 0.517 CB 1.565 61 residues pruned to eliminate duplicates Z: 46 38.704 2.297 1.227 0.467 0.844 0.556 CB 1.380 46 residues pruned to eliminate duplicates Z: 52 48.623 2.455 1.228 0.401 0.902 0.431 CB 1.532 52 residues pruned to eliminate duplicates Z: 65 49.631 2.398 1.139 0.392 0.875 0.469 CB 1.550 65 residues pruned to eliminate duplicates Z: 51 49.832 2.518 1.248 0.405 0.880 0.440 CB 1.563 51 residues pruned to eliminate duplicates Z: 25 35.699 2.464 1.257 0.518 0.875 0.458 CB 1.472 25 residues pruned to eliminate duplicates Z: 62 44.661 2.353 1.059 0.407 0.869 0.508 CB 1.498 62 residues pruned to eliminate duplicates Z: 52 50.211 2.453 1.179 0.411 0.902 0.471 CB 1.601 52 residues pruned to eliminate duplicates Z: 51 52.249 2.472 1.186 0.413 0.900 0.480 CB 1.664 51 residues pruned to eliminate duplicates Z: 64 52.213 2.456 1.140 0.421 0.889 0.524 CB 1.529 64 residues pruned to eliminate duplicates Z: 16 32.766 2.347 1.194 0.545 0.867 0.400 CB 1.814 16 residues pruned to eliminate duplicates Z: 27 40.426 2.397 1.315 0.572 0.923 0.615 CB 1.444 27 residues pruned to eliminate duplicates Z: 15 39.576 2.241 1.219 0.705 1.000 0.500 CA 1.764 15 residues pruned to eliminate duplicates Z: 63 48.602 2.430 1.153 0.416 0.839 0.468 CB 1.535 63 residues pruned to eliminate duplicates Z: 64 52.098 2.457 1.059 0.423 0.921 0.492 CB 1.526 64 residues pruned to eliminate duplicates Z: 59 47.312 2.406 1.230 0.433 0.862 0.483 CB 1.439 59 residues pruned to eliminate duplicates Z: 37 38.294 2.326 1.201 0.461 0.889 0.472 CB 1.459 37 residues pruned to eliminate duplicates Z: 81 59.988 2.491 1.077 0.400 0.887 0.525 CB 1.624 81 residues pruned to eliminate duplicates Z: 51 46.538 2.431 1.196 0.405 0.880 0.380 CB 1.549 51 residues pruned to eliminate duplicates Z: 25 37.628 2.458 1.117 0.492 0.917 0.625 CB 1.623 25 residues pruned to eliminate duplicates Z: 64 50.014 2.440 1.111 0.417 0.873 0.540 CB 1.527 64 residues pruned to eliminate duplicates Z: 52 45.250 2.447 1.199 0.439 0.843 0.529 CB 1.488 52 residues pruned to eliminate duplicates Z: 26 39.410 2.436 1.135 0.550 0.920 0.560 CB 1.569 26 residues pruned to eliminate duplicates Z: 63 53.963 2.491 1.145 0.427 0.887 0.484 CB 1.559 63 residues pruned to eliminate duplicates Z: 62 54.525 2.498 1.260 0.416 0.885 0.525 CB 1.525 62 residues pruned to eliminate duplicates Z: 64 63.571 2.553 1.093 0.478 0.889 0.571 CB 1.724 64 residues pruned to eliminate duplicates Z: 62 51.405 2.490 1.209 0.411 0.836 0.492 CB 1.571 62 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 102 B: 114 C: 221 CC for partial structure against native data = 46.31 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.777, Connect. = 0.777 for dens.mod. cycle 1 = 0.300, Contrast = 0.886, Connect. = 0.804 for dens.mod. cycle 2 = 0.300, Contrast = 1.101, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.133, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.163, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 1.171, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.181, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.184, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.188, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 1.188, Connect. = 0.835 for dens.mod. cycle 10 TimeTaking 436.22