null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:28:26 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.ins Phases from ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.phi Native data from ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.hkl Listing output to ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.lst Phases output to ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.phs Poly-Ala trace output to ./1vpb-1.8-parrot-noncs/1vpb-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: C 2 2 21 Allowed origin shift code: 5 55749 Reflections read from file ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.phi 55749 Reflections read from file ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.hkl 55749 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by 0.000126h^2 +0.000058k^2 -0.000153l^2 +0.000000kl +0.000000hl +0.000000hk 545 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 128 x 512 x 44 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.730 = 0.293, Contrast = 0.197, Connect. = 0.589 for dens.mod. cycle 1 = 0.300, Contrast = 0.419, Connect. = 0.644 for dens.mod. cycle 2 = 0.300, Contrast = 0.690, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.798, Connect. = 0.779 for dens.mod. cycle 4 = 0.300, Contrast = 0.849, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.874, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.889, Connect. = 0.804 for dens.mod. cycle 7 = 0.300, Contrast = 0.897, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 0.902, Connect. = 0.809 for dens.mod. cycle 9 = 0.300, Contrast = 0.905, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2466 peaks > 0.5 sigma used to seed fragment search Space for about 666 unique residues taking solvent into account 543 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 77 55.172 2.286 0.966 0.450 0.921 0.566 CB 1.609 B: 79 47.201 2.279 0.850 0.425 0.885 0.551 CB 1.549 79 residues pruned to eliminate duplicates C: 19 26.600 2.112 1.183 0.479 0.889 0.611 CB 1.563 D: 13 22.319 2.003 1.312 0.517 0.833 0.583 N 1.642 13 residues pruned to eliminate duplicates E: 20 52.734 2.309 1.393 0.946 1.000 0.789 CB 1.514 F: 6 11.160 2.263 0.822 0.800 0.800 0.400 CA 1.164 G: 32 56.781 2.374 1.200 0.734 0.935 0.774 CB 1.691 H: 19 53.402 2.386 1.111 0.949 1.000 0.722 CA 1.724 I: 16 40.672 2.359 1.133 0.769 1.000 0.867 CB 1.645 16 residues pruned to eliminate duplicates J: 27 49.126 2.456 1.187 0.615 0.885 0.577 CB 1.818 27 residues pruned to eliminate duplicates K: 9 21.769 2.394 0.807 0.624 0.875 0.625 CB 1.808 9 residues pruned to eliminate duplicates L: 15 41.687 2.359 1.365 0.729 1.000 0.714 CB 1.624 15 residues pruned to eliminate duplicates M: 115 55.845 2.150 0.900 0.465 0.895 0.570 CB 1.483 79 residues pruned to eliminate duplicates N: 19 50.787 2.375 1.044 0.947 1.000 0.722 CA 1.704 19 residues pruned to eliminate duplicates O: 18 54.208 2.435 1.134 0.948 1.000 0.765 CB 1.747 18 residues pruned to eliminate duplicates P: 16 27.786 2.170 1.093 0.538 0.933 0.733 CB 1.630 16 residues pruned to eliminate duplicates Q: 16 24.079 2.377 1.181 0.532 0.733 0.467 CB 1.585 16 residues pruned to eliminate duplicates R: 65 65.925 2.483 1.271 0.549 0.891 0.703 CB 1.564 26 residues pruned to eliminate duplicates S: 23 31.414 2.324 1.423 0.511 0.864 0.636 CB 1.363 18 residues pruned to eliminate duplicates T: 20 48.192 2.369 1.206 0.936 0.947 0.842 CB 1.555 20 residues pruned to eliminate duplicates U: 52 41.103 2.181 0.725 0.531 0.941 0.588 CB 1.577 52 residues pruned to eliminate duplicates V: 18 50.134 2.387 1.158 0.946 0.941 0.647 CA 1.734 19 residues pruned to eliminate duplicates W: 18 52.555 2.443 0.983 0.946 1.000 0.882 CB 1.820 17 residues pruned to eliminate duplicates X: 12 15.795 1.889 0.915 0.551 0.818 0.364 CB 1.531 Y: 17 29.009 2.439 1.574 0.533 0.875 0.562 CB 1.278 17 residues pruned to eliminate duplicates Z: 66 43.473 2.182 1.158 0.423 0.908 0.615 CB 1.366 9 residues pruned to eliminate duplicates Z: 19 49.358 2.311 1.013 0.949 1.000 0.778 CA 1.725 19 residues pruned to eliminate duplicates Z: 28 47.885 2.352 1.279 0.659 0.889 0.741 CB 1.668 29 residues pruned to eliminate duplicates Z: 9 19.045 2.326 0.981 0.656 0.750 0.625 CB 1.686 9 residues pruned to eliminate duplicates Z: 28 51.264 2.373 1.114 0.663 0.963 0.704 CB 1.756 28 residues pruned to eliminate duplicates Z: 95 62.296 2.297 1.021 0.442 0.915 0.606 CB 1.607 95 residues pruned to eliminate duplicates Z: 49 34.105 2.103 1.026 0.447 0.917 0.625 CB 1.330 49 residues pruned to eliminate duplicates Z: 6 6.507 2.094 0.212 0.834 0.800 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 15 29.963 2.433 1.566 0.494 0.929 0.500 CB 1.389 15 residues pruned to eliminate duplicates Z: 20 37.164 2.257 0.704 0.946 0.947 0.789 CA 1.619 20 residues pruned to eliminate duplicates Z: 6 9.763 2.264 1.373 0.492 0.600 0.600 C 1.365 6 residues pruned to eliminate duplicates Z: 20 41.625 2.294 1.239 0.899 0.947 0.579 CB 1.403 20 residues pruned to eliminate duplicates Z: 19 59.365 2.363 1.444 0.957 0.944 0.611 CA 1.761 19 residues pruned to eliminate duplicates Z: 32 54.166 2.448 1.159 0.671 0.903 0.677 CB 1.741 32 residues pruned to eliminate duplicates Z: 41 35.638 2.118 1.190 0.527 0.900 0.625 CB 1.314 41 residues pruned to eliminate duplicates Z: 18 26.614 2.261 1.232 0.582 0.941 0.588 CB 1.256 18 residues pruned to eliminate duplicates Z: 10 23.638 2.155 1.233 0.713 0.889 0.889 C 1.519 10 residues pruned to eliminate duplicates Z: 38 48.154 2.206 1.044 0.650 0.892 0.649 CB 1.712 40 residues pruned to eliminate duplicates Z: 20 36.692 2.262 1.167 0.713 1.000 0.684 CB 1.416 20 residues pruned to eliminate duplicates Z: 28 50.736 2.430 1.297 0.687 0.852 0.630 CB 1.731 28 residues pruned to eliminate duplicates Z: 45 39.811 2.436 1.144 0.310 0.886 0.523 CB 1.601 45 residues pruned to eliminate duplicates Z: 19 63.533 2.304 1.556 0.928 1.000 0.556 CA 1.781 19 residues pruned to eliminate duplicates Z: 20 43.912 2.265 1.014 0.946 0.947 0.789 CA 1.611 20 residues pruned to eliminate duplicates Z: 19 47.976 2.364 1.194 0.934 1.000 0.889 CB 1.520 19 residues pruned to eliminate duplicates Z: 6 3.399 1.606 0.388 0.670 0.800 0.200 CB 0.728 6 residues pruned to eliminate duplicates Z: 33 39.157 2.251 0.796 0.646 0.938 0.562 CB 1.594 11 residues pruned to eliminate duplicates Z: 19 48.873 2.374 1.070 0.926 0.944 0.667 CB 1.740 19 residues pruned to eliminate duplicates Z: 21 48.631 2.249 1.169 0.929 1.000 0.850 CB 1.560 21 residues pruned to eliminate duplicates Z: 85 74.285 2.409 1.099 0.622 0.929 0.631 CB 1.538 86 residues pruned to eliminate duplicates Z: 13 13.839 1.945 0.795 0.487 0.833 0.500 CB 1.391 13 residues pruned to eliminate duplicates Z: 16 29.384 2.248 0.673 0.763 0.933 0.667 CA 1.711 16 residues pruned to eliminate duplicates Z: 33 42.271 2.249 0.892 0.624 0.969 0.562 CB 1.614 32 residues pruned to eliminate duplicates Z: 15 29.270 2.253 0.532 0.863 1.000 1.000 CA 1.662 15 residues pruned to eliminate duplicates Z: 20 23.589 2.067 0.855 0.548 0.789 0.526 CA 1.706 20 residues pruned to eliminate duplicates Z: 9 20.674 2.123 0.486 0.754 1.000 0.750 CA 1.848 9 residues pruned to eliminate duplicates Z: 7 7.401 1.628 0.367 0.513 1.000 0.667 O 1.340 7 residues pruned to eliminate duplicates Z: 16 28.698 2.238 0.507 0.795 1.000 0.800 CB 1.696 16 residues pruned to eliminate duplicates Z: 20 55.386 2.347 1.405 0.939 1.000 0.737 CB 1.564 20 residues pruned to eliminate duplicates Z: 9 28.327 2.455 1.165 0.636 0.875 0.625 CB 1.896 9 residues pruned to eliminate duplicates Z: 20 47.817 2.346 1.176 0.937 0.947 0.895 CB 1.579 20 residues pruned to eliminate duplicates Z: 17 27.120 2.099 0.595 0.819 1.000 0.750 CA 1.536 17 residues pruned to eliminate duplicates Z: 21 46.036 2.216 1.211 0.938 1.000 0.850 CB 1.461 21 residues pruned to eliminate duplicates Z: 20 47.071 2.257 1.106 0.942 0.947 0.684 CA 1.663 20 residues pruned to eliminate duplicates Z: 17 22.177 2.094 0.458 0.760 0.938 0.625 CB 1.538 17 residues pruned to eliminate duplicates Z: 41 58.034 2.369 1.354 0.661 0.975 0.800 CB 1.454 41 residues pruned to eliminate duplicates Z: 18 38.582 2.374 0.727 0.950 0.941 0.706 CA 1.672 18 residues pruned to eliminate duplicates Z: 9 23.316 2.231 0.736 0.872 1.000 0.875 CB 1.551 9 residues pruned to eliminate duplicates Z: 17 39.004 2.433 0.704 0.939 0.938 0.938 CA 1.744 17 residues pruned to eliminate duplicates Z: 84 53.303 2.270 0.995 0.426 0.867 0.542 CB 1.609 84 residues pruned to eliminate duplicates Z: 25 31.588 2.266 1.323 0.609 0.917 0.583 CB 1.205 25 residues pruned to eliminate duplicates Z: 21 39.205 2.224 1.234 0.615 0.850 0.700 C 1.862 21 residues pruned to eliminate duplicates Z: 12 18.290 1.998 0.688 0.588 0.909 0.545 CA 1.653 12 residues pruned to eliminate duplicates Z: 108 68.338 2.345 1.084 0.423 0.897 0.561 CB 1.632 108 residues pruned to eliminate duplicates Z: 31 27.533 1.951 0.771 0.606 0.933 0.633 CB 1.409 31 residues pruned to eliminate duplicates Z: 78 45.401 2.235 0.773 0.423 0.909 0.571 CB 1.556 78 residues pruned to eliminate duplicates Z: 13 25.232 2.207 0.454 0.884 1.000 0.833 CB 1.640 13 residues pruned to eliminate duplicates Z: 17 24.564 2.029 0.602 0.917 0.938 0.812 CB 1.422 17 residues pruned to eliminate duplicates Z: 27 22.796 1.973 0.649 0.578 0.885 0.577 CA 1.441 27 residues pruned to eliminate duplicates Z: 48 37.778 2.127 0.969 0.532 0.915 0.596 CB 1.394 34 residues pruned to eliminate duplicates Z: 21 42.387 2.204 0.903 0.925 1.000 0.800 CB 1.585 21 residues pruned to eliminate duplicates Z: 10 22.945 2.117 0.986 0.712 1.000 0.556 CB 1.501 10 residues pruned to eliminate duplicates Z: 17 24.866 2.065 0.460 0.871 1.000 0.688 CB 1.504 17 residues pruned to eliminate duplicates Z: 10 21.858 1.995 0.695 0.897 1.000 0.889 CB 1.542 10 residues pruned to eliminate duplicates Z: 11 14.584 1.873 0.421 0.786 1.000 0.600 CB 1.347 11 residues pruned to eliminate duplicates Z: 33 39.529 2.232 0.937 0.623 0.938 0.719 CB 1.535 33 residues pruned to eliminate duplicates Z: 21 30.232 2.268 1.085 0.508 0.850 0.650 CB 1.668 21 residues pruned to eliminate duplicates Z: 64 44.180 2.307 1.092 0.337 0.889 0.508 CB 1.551 64 residues pruned to eliminate duplicates Z: 57 44.777 2.368 1.181 0.322 0.875 0.589 CB 1.612 57 residues pruned to eliminate duplicates Z: 15 21.853 2.103 0.952 0.728 0.786 0.571 CB 1.474 15 residues pruned to eliminate duplicates Z: 45 54.070 2.417 1.321 0.585 0.886 0.545 CB 1.511 45 residues pruned to eliminate duplicates Z: 30 51.663 2.304 1.271 0.647 0.931 0.621 CB 1.717 30 residues pruned to eliminate duplicates Z: 20 50.920 2.317 1.326 0.942 1.000 0.895 CB 1.503 20 residues pruned to eliminate duplicates Z: 30 46.054 2.347 1.302 0.633 0.931 0.586 CB 1.500 30 residues pruned to eliminate duplicates Z: 19 19.979 2.362 1.013 0.297 0.833 0.611 CB 1.492 19 residues pruned to eliminate duplicates Z: 31 54.805 2.370 1.110 0.689 0.967 0.633 CB 1.741 31 residues pruned to eliminate duplicates Z: 17 22.918 2.100 0.408 0.838 0.938 0.625 CB 1.545 17 residues pruned to eliminate duplicates Z: 20 53.010 2.355 1.409 0.932 0.947 0.842 CB 1.580 20 residues pruned to eliminate duplicates Z: 15 22.086 1.997 0.621 0.835 0.929 0.857 CB 1.472 15 residues pruned to eliminate duplicates Z: 38 34.691 2.081 0.994 0.481 0.946 0.622 CB 1.480 Z: 8 12.691 2.046 1.150 0.483 0.857 0.571 CA 1.293 8 residues pruned to eliminate duplicates Z: 17 27.917 2.213 1.421 0.527 0.812 0.500 CB 1.560 17 residues pruned to eliminate duplicates Z: 24 36.527 2.359 1.142 0.624 0.826 0.565 CB 1.624 24 residues pruned to eliminate duplicates Z: 20 23.246 1.954 0.406 0.850 1.000 0.789 CA 1.438 20 residues pruned to eliminate duplicates Z: 42 32.744 2.167 0.843 0.387 0.927 0.585 CB 1.557 42 residues pruned to eliminate duplicates Z: 19 49.063 2.405 0.888 0.948 1.000 0.778 CA 1.759 19 residues pruned to eliminate duplicates Z: 16 21.486 2.071 0.285 0.931 0.933 0.867 CB 1.562 16 residues pruned to eliminate duplicates Z: 55 33.361 2.278 1.145 0.263 0.833 0.389 CB 1.461 55 residues pruned to eliminate duplicates Z: 73 45.118 2.205 0.876 0.454 0.875 0.528 CB 1.540 73 residues pruned to eliminate duplicates Z: 16 30.359 2.140 0.715 0.906 1.000 0.733 CB 1.519 16 residues pruned to eliminate duplicates Z: 10 15.307 1.926 0.577 0.850 1.000 0.778 CB 1.244 10 residues pruned to eliminate duplicates Z: 9 16.513 1.936 0.809 0.834 1.000 0.750 CB 1.250 9 residues pruned to eliminate duplicates Z: 17 22.688 2.018 0.459 0.855 0.938 0.688 CB 1.517 17 residues pruned to eliminate duplicates Z: 10 20.204 2.077 0.959 0.827 0.889 0.556 CA 1.403 10 residues pruned to eliminate duplicates Z: 10 22.873 2.133 0.827 0.833 1.000 0.778 CA 1.468 11 residues pruned to eliminate duplicates Z: 17 25.385 2.074 0.515 0.834 1.000 0.625 CB 1.513 17 residues pruned to eliminate duplicates Z: 17 21.737 2.065 0.531 0.867 0.812 0.750 CA 1.548 17 residues pruned to eliminate duplicates Z: 8 12.049 2.157 0.667 0.660 0.857 0.429 CA 1.274 8 residues pruned to eliminate duplicates Z: 24 29.491 2.487 1.100 0.401 0.783 0.478 CB 1.670 24 residues pruned to eliminate duplicates Z: 23 44.678 2.308 1.127 0.766 0.955 0.636 CB 1.606 23 residues pruned to eliminate duplicates Z: 15 23.346 2.077 0.495 0.891 0.929 0.857 CB 1.556 15 residues pruned to eliminate duplicates Z: 21 41.465 2.236 1.217 0.677 1.000 0.700 CB 1.589 21 residues pruned to eliminate duplicates Z: 134 64.007 2.204 1.000 0.432 0.902 0.564 CB 1.497 133 residues pruned to eliminate duplicates Z: 19 56.304 2.414 1.459 0.951 1.000 0.722 CB 1.542 19 residues pruned to eliminate duplicates Z: 10 17.982 1.940 0.813 0.856 0.889 0.556 CB 1.414 10 residues pruned to eliminate duplicates Z: 9 26.696 2.228 1.236 0.898 0.875 0.750 CB 1.549 9 residues pruned to eliminate duplicates Z: 16 30.239 2.228 0.575 0.812 1.000 0.600 CB 1.696 16 residues pruned to eliminate duplicates Z: 20 47.674 2.354 1.081 0.918 1.000 0.842 CB 1.574 20 residues pruned to eliminate duplicates Z: 92 52.673 2.278 0.838 0.421 0.912 0.593 CB 1.569 92 residues pruned to eliminate duplicates Z: 9 16.957 1.953 0.653 0.829 1.000 0.875 CB 1.397 9 residues pruned to eliminate duplicates Z: 11 17.134 1.963 0.675 0.813 0.900 0.600 CB 1.394 11 residues pruned to eliminate duplicates Z: 18 29.589 2.157 0.958 0.638 0.941 0.647 CB 1.587 18 residues pruned to eliminate duplicates Z: 33 40.515 2.173 0.983 0.594 0.906 0.625 CB 1.676 30 residues pruned to eliminate duplicates Z: 87 66.988 2.367 1.061 0.586 0.907 0.628 CB 1.502 87 residues pruned to eliminate duplicates Z: 8 13.391 2.127 0.969 0.658 0.857 0.857 CB 1.218 8 residues pruned to eliminate duplicates Z: 70 39.809 2.149 0.777 0.439 0.870 0.536 CB 1.537 70 residues pruned to eliminate duplicates Z: 9 12.142 1.929 0.712 0.823 0.875 0.875 CB 1.124 9 residues pruned to eliminate duplicates Z: 10 19.742 2.004 0.654 0.893 1.000 0.667 CB 1.425 10 residues pruned to eliminate duplicates Z: 6 3.342 1.326 1.211 0.636 0.800 0.200 CB 0.561 6 residues pruned to eliminate duplicates Z: 86 69.392 2.362 1.084 0.605 0.918 0.659 CB 1.508 86 residues pruned to eliminate duplicates Z: 44 50.179 2.191 1.007 0.665 0.953 0.581 CB 1.567 46 residues pruned to eliminate duplicates Z: 17 22.052 2.085 0.474 0.855 0.875 0.812 CB 1.513 17 residues pruned to eliminate duplicates Z: 15 23.897 2.203 0.483 0.800 0.929 0.714 CA 1.619 15 residues pruned to eliminate duplicates Z: 17 16.926 1.750 0.932 0.702 0.938 0.625 CB 1.110 17 residues pruned to eliminate duplicates Z: 18 51.552 2.411 1.076 0.942 1.000 0.706 CB 1.733 18 residues pruned to eliminate duplicates Z: 17 22.415 2.246 0.610 0.495 1.000 0.688 CB 1.558 17 residues pruned to eliminate duplicates Z: 45 27.664 2.046 0.850 0.466 0.886 0.500 CB 1.288 45 residues pruned to eliminate duplicates Z: 19 21.188 2.054 0.655 0.474 1.000 0.611 CB 1.509 15 residues pruned to eliminate duplicates Z: 30 24.954 1.965 1.019 0.585 0.862 0.724 CB 1.249 30 residues pruned to eliminate duplicates Z: 8 17.282 2.266 1.157 0.468 0.714 0.571 CA 1.933 8 residues pruned to eliminate duplicates Z: 27 48.010 2.342 1.201 0.705 0.885 0.769 CB 1.714 27 residues pruned to eliminate duplicates Z: 21 46.951 2.274 1.182 0.926 1.000 0.850 CB 1.484 21 residues pruned to eliminate duplicates Z: 6 19.020 2.349 0.912 0.849 1.000 0.800 CA 1.404 6 residues pruned to eliminate duplicates Z: 19 51.339 2.279 1.197 0.935 1.000 0.722 CB 1.685 19 residues pruned to eliminate duplicates Z: 77 54.357 2.255 0.941 0.455 0.947 0.645 CB 1.575 77 residues pruned to eliminate duplicates Z: 17 23.986 2.090 0.708 0.850 0.812 0.562 CB 1.531 17 residues pruned to eliminate duplicates Z: 25 18.849 1.837 0.629 0.585 0.875 0.750 CB 1.355 25 residues pruned to eliminate duplicates Z: 10 9.518 1.820 0.921 0.704 0.778 0.556 CB 0.969 10 residues pruned to eliminate duplicates Z: 42 37.909 2.174 1.098 0.499 0.878 0.512 CB 1.479 42 residues pruned to eliminate duplicates Z: 10 21.017 2.006 0.752 0.893 1.000 0.778 CB 1.430 10 residues pruned to eliminate duplicates Z: 25 45.604 2.448 1.216 0.652 0.875 0.667 CB 1.703 25 residues pruned to eliminate duplicates Z: 7 10.054 2.212 0.452 0.685 0.667 0.500 CB 1.617 7 residues pruned to eliminate duplicates Z: 77 53.546 2.269 0.926 0.449 0.934 0.671 CB 1.586 77 residues pruned to eliminate duplicates Z: 41 30.987 2.098 0.900 0.436 0.875 0.575 CB 1.501 41 residues pruned to eliminate duplicates Z: 78 48.487 2.255 0.840 0.431 0.909 0.571 CB 1.573 78 residues pruned to eliminate duplicates Z: 36 28.488 2.150 0.840 0.457 0.857 0.543 CB 1.484 36 residues pruned to eliminate duplicates Z: 6 16.166 2.208 0.768 0.821 1.000 0.800 CB 1.402 6 residues pruned to eliminate duplicates Z: 36 38.189 2.158 0.907 0.511 1.000 0.629 CB 1.551 36 residues pruned to eliminate duplicates Z: 9 21.254 2.084 0.928 0.884 0.875 0.625 CA 1.545 9 residues pruned to eliminate duplicates Z: 10 25.271 1.859 1.285 0.867 1.000 0.556 CB 1.451 10 residues pruned to eliminate duplicates Z: 19 30.860 2.132 0.637 0.756 1.000 0.722 CB 1.659 19 residues pruned to eliminate duplicates Z: 9 8.955 2.194 -0.168 0.568 0.875 0.625 C 1.856 Z: 48 40.752 2.132 1.001 0.565 0.957 0.617 CB 1.366 48 residues pruned to eliminate duplicates Z: 22 9.295 1.802 0.392 0.335 0.762 0.476 CB 1.271 22 residues pruned to eliminate duplicates Z: 9 13.913 1.759 0.759 0.862 1.000 0.875 CB 1.167 9 residues pruned to eliminate duplicates Z: 47 47.091 2.201 1.124 0.646 0.913 0.696 CB 1.420 47 residues pruned to eliminate duplicates Z: 9 5.642 1.754 0.637 0.623 0.750 0.750 CB 0.825 Z: 14 8.067 1.906 0.045 0.463 0.846 0.308 N 1.379 9 residues pruned to eliminate duplicates Z: 19 42.912 2.367 0.746 0.941 1.000 0.889 CA 1.699 19 residues pruned to eliminate duplicates Z: 16 37.394 2.291 1.335 0.632 1.000 0.867 CB 1.594 16 residues pruned to eliminate duplicates Z: 21 10.567 1.781 0.136 0.610 0.900 0.700 CB 1.169 Z: 24 33.491 2.254 1.234 0.492 0.913 0.652 CB 1.532 24 residues pruned to eliminate duplicates Z: 10 6.082 1.980 0.609 0.439 0.667 0.444 CB 1.017 10 residues pruned to eliminate duplicates Z: 9 10.945 2.062 -0.079 0.730 0.875 0.625 O 1.894 Z: 29 27.595 2.144 0.696 0.690 0.821 0.607 CB 1.467 29 residues pruned to eliminate duplicates Z: 65 45.499 2.238 0.866 0.444 0.906 0.531 CB 1.592 65 residues pruned to eliminate duplicates Z: 47 58.615 2.381 1.322 0.640 0.891 0.739 CB 1.539 47 residues pruned to eliminate duplicates Z: 11 7.853 1.921 -0.216 0.552 0.900 0.400 O 1.741 11 residues pruned to eliminate duplicates Z: 10 16.553 2.184 0.864 0.562 0.889 0.556 CB 1.436 10 residues pruned to eliminate duplicates Z: 26 25.772 2.280 1.130 0.281 0.880 0.680 CB 1.545 26 residues pruned to eliminate duplicates Z: 26 27.610 2.096 0.836 0.485 0.960 0.600 CB 1.517 21 residues pruned to eliminate duplicates Z: 9 8.317 2.002 0.093 0.574 0.750 0.375 N 1.669 9 residues pruned to eliminate duplicates Z: 61 44.279 2.097 1.023 0.479 0.917 0.533 CB 1.501 61 residues pruned to eliminate duplicates Z: 9 21.596 2.106 0.616 0.915 1.000 0.625 CA 1.585 9 residues pruned to eliminate duplicates Z: 16 22.408 2.250 1.047 0.434 0.800 0.667 CB 1.682 16 residues pruned to eliminate duplicates Z: 12 22.317 2.223 1.113 0.346 1.000 0.727 CB 1.694 12 residues pruned to eliminate duplicates Z: 63 36.662 2.079 1.032 0.407 0.855 0.532 CB 1.421 63 residues pruned to eliminate duplicates Z: 18 18.538 1.992 0.415 0.815 0.882 0.647 CB 1.375 18 residues pruned to eliminate duplicates Z: 31 58.667 2.389 1.254 0.677 0.967 0.600 CB 1.748 31 residues pruned to eliminate duplicates Z: 7 5.642 1.685 0.585 0.675 0.833 0.833 CA 0.881 7 residues pruned to eliminate duplicates Z: 14 18.912 1.774 0.868 0.917 0.923 0.846 CB 1.210 14 residues pruned to eliminate duplicates Z: 13 17.792 1.821 0.610 0.908 1.000 0.833 CB 1.244 13 residues pruned to eliminate duplicates Z: 6 8.992 1.678 0.806 0.768 1.000 0.600 O 1.047 6 residues pruned to eliminate duplicates Z: 9 21.805 2.210 0.733 0.615 1.000 0.750 CB 1.805 9 residues pruned to eliminate duplicates Z: 76 46.978 2.261 0.807 0.438 0.907 0.613 CB 1.562 76 residues pruned to eliminate duplicates Z: 6 2.493 1.866 0.349 0.390 0.800 0.600 CB 0.622 Z: 10 23.532 2.059 1.040 0.823 0.889 0.778 CA 1.588 10 residues pruned to eliminate duplicates Z: 26 31.092 2.130 0.991 0.486 0.960 0.520 CB 1.549 26 residues pruned to eliminate duplicates Z: 8 27.740 2.276 0.904 0.860 1.000 0.857 CB 1.779 8 residues pruned to eliminate duplicates Z: 36 30.302 2.122 0.822 0.464 0.886 0.514 CB 1.551 36 residues pruned to eliminate duplicates Z: 8 10.192 2.051 0.462 0.710 1.000 1.000 CB 1.062 Z: 12 17.035 2.240 1.021 0.449 0.818 0.364 CB 1.461 12 residues pruned to eliminate duplicates Z: 10 16.900 1.936 0.700 0.891 1.000 0.889 CB 1.230 10 residues pruned to eliminate duplicates Z: 81 53.319 2.288 0.942 0.436 0.913 0.562 CB 1.572 81 residues pruned to eliminate duplicates Z: 77 60.146 2.328 0.975 0.609 0.868 0.566 CB 1.559 85 residues pruned to eliminate duplicates Z: 14 13.031 1.725 0.246 0.872 1.000 0.846 CB 1.227 14 residues pruned to eliminate duplicates Z: 24 25.578 2.028 1.141 0.512 0.913 0.522 CB 1.329 24 residues pruned to eliminate duplicates Z: 62 35.663 2.057 0.672 0.485 0.918 0.508 CB 1.469 62 residues pruned to eliminate duplicates Z: 64 45.277 2.218 0.803 0.481 0.952 0.571 CB 1.527 64 residues pruned to eliminate duplicates Z: 20 44.573 2.290 1.243 0.920 0.947 0.579 CB 1.480 20 residues pruned to eliminate duplicates Z: 17 24.792 2.060 0.803 0.841 0.812 0.750 CB 1.532 17 residues pruned to eliminate duplicates Z: 16 10.467 1.830 0.443 0.469 0.800 0.600 CB 1.320 16 residues pruned to eliminate duplicates Z: 10 18.677 1.999 0.689 0.719 0.889 0.667 CA 1.702 10 residues pruned to eliminate duplicates Z: 12 27.923 2.306 1.005 0.725 1.000 0.818 CB 1.486 12 residues pruned to eliminate duplicates Z: 12 11.999 1.973 0.626 0.491 0.818 0.455 CB 1.391 12 residues pruned to eliminate duplicates Z: 16 22.766 2.443 0.944 0.315 0.933 0.533 CA 1.628 16 residues pruned to eliminate duplicates Z: 12 22.037 2.391 1.218 0.389 0.909 0.455 CB 1.550 12 residues pruned to eliminate duplicates Z: 21 27.694 2.166 0.330 0.918 1.000 0.900 CA 1.516 21 residues pruned to eliminate duplicates Z: 6 6.928 1.767 0.799 0.448 1.000 0.800 CB 1.028 6 residues pruned to eliminate duplicates Z: 17 25.331 2.219 1.182 0.344 0.938 0.500 CB 1.654 17 residues pruned to eliminate duplicates Z: 21 25.749 2.207 0.861 0.534 0.850 0.650 CB 1.595 21 residues pruned to eliminate duplicates Z: 13 3.987 1.710 0.275 0.330 0.667 0.583 CB 0.953 13 residues pruned to eliminate duplicates Z: 17 19.141 2.042 0.503 0.833 0.812 0.562 CB 1.439 17 residues pruned to eliminate duplicates Z: 20 37.028 2.234 0.667 0.933 1.000 0.895 CA 1.593 20 residues pruned to eliminate duplicates Z: 20 21.735 2.179 0.856 0.315 0.895 0.579 CA 1.692 20 residues pruned to eliminate duplicates Z: 82 53.093 2.242 0.971 0.456 0.901 0.543 CB 1.549 82 residues pruned to eliminate duplicates Z: 41 39.963 2.184 1.214 0.528 0.900 0.500 CB 1.412 41 residues pruned to eliminate duplicates Z: 35 42.266 2.236 1.077 0.658 0.912 0.559 CB 1.478 35 residues pruned to eliminate duplicates Z: 7 4.256 1.934 0.599 0.531 0.833 0.500 CB 0.654 6 residues pruned to eliminate duplicates Z: 6 4.162 1.959 0.399 0.287 0.800 0.600 CB 1.078 Z: 11 12.263 1.840 0.338 0.800 1.000 0.700 CB 1.212 11 residues pruned to eliminate duplicates Z: 22 13.867 1.942 0.524 0.452 0.905 0.571 CB 1.187 22 residues pruned to eliminate duplicates Z: 86 50.424 2.198 0.947 0.426 0.906 0.529 CB 1.523 86 residues pruned to eliminate duplicates Z: 6 3.693 1.805 0.685 0.345 1.000 0.400 CB 0.643 6 residues pruned to eliminate duplicates Z: 35 31.995 2.179 0.835 0.587 0.794 0.559 CB 1.589 35 residues pruned to eliminate duplicates Z: 133 63.785 2.219 1.014 0.429 0.902 0.652 CB 1.482 133 residues pruned to eliminate duplicates Z: 36 27.523 2.085 0.764 0.426 0.914 0.514 CB 1.494 36 residues pruned to eliminate duplicates Z: 15 24.609 2.394 1.045 0.504 0.786 0.643 CB 1.702 15 residues pruned to eliminate duplicates Z: 8 7.534 1.749 0.477 0.875 1.000 1.000 CB 0.802 8 residues pruned to eliminate duplicates Z: 23 23.219 2.252 1.123 0.284 0.818 0.545 CB 1.614 23 residues pruned to eliminate duplicates Z: 14 15.242 1.779 0.637 0.863 0.923 0.846 CB 1.153 14 residues pruned to eliminate duplicates Z: 15 16.329 1.732 0.495 0.883 1.000 0.857 CB 1.219 15 residues pruned to eliminate duplicates Z: 9 20.059 2.071 0.707 0.848 1.000 0.625 CB 1.488 9 residues pruned to eliminate duplicates Z: 10 10.737 1.944 1.073 0.552 0.889 0.444 CB 0.950 10 residues pruned to eliminate duplicates Z: 14 15.262 1.783 0.471 0.876 1.000 0.923 CB 1.173 14 residues pruned to eliminate duplicates Z: 7 3.963 1.622 0.465 0.296 0.667 0.333 O 1.284 Z: 8 10.440 1.855 1.042 0.691 0.714 0.714 N 1.225 Z: 16 19.596 1.982 0.923 0.519 0.933 0.800 CB 1.395 16 residues pruned to eliminate duplicates Z: 51 36.400 2.048 1.124 0.486 0.920 0.640 CB 1.305 51 residues pruned to eliminate duplicates Z: 17 10.162 1.950 -0.023 0.643 0.875 0.625 CB 1.333 Z: 8 4.175 1.384 0.196 0.418 0.857 0.286 C 1.212 Z: 33 32.394 2.081 0.672 0.602 0.969 0.625 CB 1.541 33 residues pruned to eliminate duplicates Z: 87 47.042 2.206 0.939 0.380 0.872 0.523 CB 1.545 87 residues pruned to eliminate duplicates Z: 17 22.671 2.087 0.637 0.851 0.812 0.562 CB 1.511 17 residues pruned to eliminate duplicates Z: 12 17.363 1.831 0.641 0.921 1.000 0.818 CB 1.226 12 residues pruned to eliminate duplicates Z: 12 17.958 2.313 0.450 0.624 0.909 0.545 CB 1.580 12 residues pruned to eliminate duplicates Z: 21 42.492 2.257 1.022 0.918 1.000 0.800 CB 1.468 21 residues pruned to eliminate duplicates Z: 18 28.334 2.003 0.758 0.875 0.941 0.529 CB 1.508 18 residues pruned to eliminate duplicates Z: 76 49.868 2.278 0.967 0.441 0.893 0.587 CB 1.529 76 residues pruned to eliminate duplicates Z: 9 7.489 1.652 0.143 0.748 1.000 0.875 CB 1.123 Z: 12 17.330 2.104 0.405 0.795 0.909 0.636 CB 1.501 12 residues pruned to eliminate duplicates Z: 22 29.993 2.173 1.082 0.653 0.905 0.714 CB 1.386 22 residues pruned to eliminate duplicates Z: 112 69.468 2.332 1.032 0.434 0.919 0.640 CB 1.621 112 residues pruned to eliminate duplicates Z: 9 5.791 1.777 0.702 0.187 0.750 0.625 C 1.313 9 residues pruned to eliminate duplicates Z: 17 26.336 2.082 0.725 0.859 0.938 0.438 CB 1.439 17 residues pruned to eliminate duplicates Z: 47 31.255 2.041 0.860 0.466 0.870 0.565 CB 1.444 47 residues pruned to eliminate duplicates Z: 6 2.228 1.683 0.682 0.567 1.000 0.800 CB 0.330 Z: 21 16.888 1.883 0.502 0.493 0.900 0.400 CB 1.494 21 residues pruned to eliminate duplicates Z: 18 11.199 1.770 0.671 0.495 0.765 0.471 CB 1.206 19 residues pruned to eliminate duplicates Z: 7 4.861 1.702 0.638 0.894 0.833 0.833 CB 0.613 7 residues pruned to eliminate duplicates Z: 32 42.427 2.330 1.191 0.648 0.839 0.645 CB 1.550 32 residues pruned to eliminate duplicates Z: 20 15.159 1.783 0.651 0.611 0.895 0.579 CB 1.188 20 residues pruned to eliminate duplicates Z: 6 5.029 1.736 0.260 0.675 0.800 0.400 CB 1.094 6 residues pruned to eliminate duplicates Z: 10 14.891 2.031 0.495 0.568 1.000 0.778 CB 1.530 10 residues pruned to eliminate duplicates Z: 8 14.164 2.074 0.732 0.848 1.000 1.000 CB 1.105 8 residues pruned to eliminate duplicates Z: 6 3.109 1.878 -0.358 0.514 0.800 0.800 CB 1.422 6 residues pruned to eliminate duplicates Z: 6 4.555 1.743 0.346 0.573 1.000 0.800 CB 0.810 Z: 7 4.425 1.607 0.386 0.426 1.000 0.667 CB 0.876 Z: 8 3.373 1.737 0.781 0.210 0.857 0.429 CB 0.677 6 residues pruned to eliminate duplicates Z: 20 48.826 2.261 1.470 0.921 0.947 0.684 CB 1.491 20 residues pruned to eliminate duplicates Z: 28 22.612 2.052 0.681 0.677 0.815 0.556 CB 1.316 28 residues pruned to eliminate duplicates Z: 16 29.259 2.257 1.150 0.570 0.933 0.667 CB 1.559 16 residues pruned to eliminate duplicates Z: 10 8.275 1.557 0.704 0.504 0.889 0.667 CB 1.164 7 residues pruned to eliminate duplicates Z: 18 64.325 2.353 1.626 0.956 1.000 0.706 CA 1.734 18 residues pruned to eliminate duplicates Z: 41 30.716 2.055 0.929 0.462 0.900 0.550 CB 1.415 15 residues pruned to eliminate duplicates Z: 14 13.485 2.195 0.783 0.251 0.769 0.462 CB 1.655 14 residues pruned to eliminate duplicates Z: 92 56.910 2.283 1.107 0.370 0.901 0.538 CB 1.582 92 residues pruned to eliminate duplicates Z: 77 46.767 2.206 1.095 0.387 0.908 0.618 CB 1.442 77 residues pruned to eliminate duplicates Z: 19 8.047 1.617 0.477 0.463 0.778 0.667 CB 1.060 5 residues pruned to eliminate duplicates Z: 10 5.692 1.738 -0.222 0.730 0.889 0.667 CB 1.284 10 residues pruned to eliminate duplicates Z: 18 41.315 2.336 0.969 0.900 1.000 0.647 CB 1.556 18 residues pruned to eliminate duplicates Z: 10 16.265 1.960 0.740 0.773 1.000 0.667 CB 1.249 10 residues pruned to eliminate duplicates Z: 18 18.448 1.873 0.809 0.555 0.882 0.588 CA 1.419 18 residues pruned to eliminate duplicates Z: 17 24.707 2.164 0.447 0.791 0.938 0.438 CB 1.629 17 residues pruned to eliminate duplicates Z: 6 4.714 1.781 0.672 0.313 0.800 0.600 CB 1.088 6 residues pruned to eliminate duplicates Z: 20 33.313 2.206 0.543 0.941 1.000 1.000 CA 1.558 20 residues pruned to eliminate duplicates Z: 11 13.525 1.849 0.724 0.617 0.800 0.700 CB 1.503 11 residues pruned to eliminate duplicates Z: 37 26.839 1.899 0.815 0.555 0.944 0.667 CB 1.302 37 residues pruned to eliminate duplicates Z: 115 54.256 2.139 0.834 0.457 0.939 0.623 CB 1.443 115 residues pruned to eliminate duplicates Z: 11 20.310 2.193 0.644 0.900 0.800 0.800 CB 1.590 11 residues pruned to eliminate duplicates Z: 12 7.297 1.832 0.510 0.493 0.818 0.636 CB 0.979 12 residues pruned to eliminate duplicates Z: 75 51.901 2.278 0.930 0.460 0.892 0.581 CB 1.602 75 residues pruned to eliminate duplicates Z: 43 52.440 2.212 1.159 0.682 0.929 0.762 CB 1.544 49 residues pruned to eliminate duplicates Z: 22 23.577 2.150 0.834 0.470 0.905 0.524 CB 1.487 22 residues pruned to eliminate duplicates Z: 8 16.715 1.961 0.620 0.879 1.000 0.857 CB 1.442 8 residues pruned to eliminate duplicates Z: 20 18.429 1.997 0.687 0.481 0.895 0.737 CB 1.429 20 residues pruned to eliminate duplicates Z: 8 5.645 1.588 0.403 0.867 1.000 1.000 CB 0.701 8 residues pruned to eliminate duplicates Z: 12 14.846 1.979 0.984 0.503 0.909 0.727 CB 1.250 12 residues pruned to eliminate duplicates Z: 44 37.289 2.372 1.116 0.297 0.884 0.628 CB 1.608 44 residues pruned to eliminate duplicates Z: 21 50.408 2.217 1.261 0.942 1.000 0.850 CB 1.559 21 residues pruned to eliminate duplicates Z: 13 17.897 2.154 0.940 0.814 0.750 0.333 CB 1.254 13 residues pruned to eliminate duplicates Z: 15 14.547 1.883 0.811 0.544 0.857 0.714 CB 1.275 15 residues pruned to eliminate duplicates Z: 40 38.226 2.190 1.111 0.517 0.897 0.718 CB 1.451 40 residues pruned to eliminate duplicates Z: 18 9.131 1.683 0.542 0.303 0.824 0.529 N 1.290 Z: 6 5.046 1.498 0.422 0.683 1.000 0.800 N 0.896 Z: 56 25.041 1.920 0.729 0.405 0.873 0.509 CB 1.287 56 residues pruned to eliminate duplicates Z: 8 13.905 1.916 0.933 0.728 0.857 0.857 CB 1.347 8 residues pruned to eliminate duplicates Z: 13 8.829 1.659 0.612 0.445 0.833 0.583 CB 1.210 13 residues pruned to eliminate duplicates Z: 45 34.280 2.068 0.855 0.469 0.955 0.500 CB 1.456 31 residues pruned to eliminate duplicates Z: 22 30.676 2.090 0.973 0.765 1.000 0.810 CB 1.283 22 residues pruned to eliminate duplicates Z: 60 39.393 2.175 1.140 0.412 0.864 0.525 CB 1.398 60 residues pruned to eliminate duplicates Z: 40 45.123 2.304 1.268 0.437 0.923 0.564 CB 1.598 40 residues pruned to eliminate duplicates Z: 21 52.959 2.234 1.295 0.942 1.000 0.750 CB 1.602 21 residues pruned to eliminate duplicates Z: 6 5.387 1.756 0.770 0.558 0.600 0.600 CA 1.221 6 residues pruned to eliminate duplicates Z: 6 3.441 1.532 0.494 0.513 0.800 0.800 CB 0.830 6 residues pruned to eliminate duplicates Z: 14 17.499 1.763 0.688 0.865 1.000 0.923 CB 1.194 14 residues pruned to eliminate duplicates Z: 65 64.639 2.408 1.251 0.571 0.953 0.719 CB 1.460 65 residues pruned to eliminate duplicates Z: 37 34.096 2.121 0.957 0.478 0.917 0.583 CB 1.527 37 residues pruned to eliminate duplicates Z: 7 5.929 1.703 0.808 0.894 1.000 0.667 CB 0.564 7 residues pruned to eliminate duplicates Z: 17 7.033 1.593 0.445 0.500 0.812 0.500 CB 0.940 19 residues pruned to eliminate duplicates Z: 28 26.177 2.083 0.852 0.467 0.889 0.556 CB 1.519 28 residues pruned to eliminate duplicates Z: 71 62.026 2.349 1.110 0.618 0.871 0.600 CB 1.535 71 residues pruned to eliminate duplicates Z: 17 34.012 2.288 1.198 0.717 0.938 0.625 CB 1.482 17 residues pruned to eliminate duplicates Z: 57 47.608 2.219 0.873 0.512 0.946 0.589 CB 1.598 57 residues pruned to eliminate duplicates Z: 13 17.784 1.802 0.666 0.945 1.000 0.917 CB 1.184 13 residues pruned to eliminate duplicates Z: 6 3.761 1.692 -0.269 0.607 1.000 0.800 N 1.229 Z: 42 39.620 2.348 1.115 0.336 0.902 0.537 CB 1.652 42 residues pruned to eliminate duplicates Z: 40 31.264 2.071 0.698 0.561 0.897 0.615 CB 1.496 40 residues pruned to eliminate duplicates Z: 6 2.516 1.538 -0.220 0.673 0.800 0.800 CB 1.000 6 residues pruned to eliminate duplicates Z: 10 13.564 2.046 0.786 0.487 0.778 0.556 CA 1.611 10 residues pruned to eliminate duplicates Z: 6 3.207 1.920 0.029 0.613 0.800 0.400 N 0.815 Z: 82 44.937 2.079 0.788 0.496 0.901 0.543 CB 1.496 82 residues pruned to eliminate duplicates Z: 13 6.017 1.624 0.623 0.414 0.750 0.583 CB 0.961 13 residues pruned to eliminate duplicates Z: 57 32.567 2.010 1.059 0.454 0.857 0.482 CB 1.286 57 residues pruned to eliminate duplicates Z: 11 8.727 1.759 0.443 0.643 0.900 0.600 CB 1.057 11 residues pruned to eliminate duplicates Z: 54 30.596 2.079 0.659 0.486 0.849 0.547 CB 1.455 54 residues pruned to eliminate duplicates Z: 6 3.533 1.500 0.005 0.811 0.800 0.400 CA 1.000 6 residues pruned to eliminate duplicates Z: 35 30.671 2.132 1.023 0.495 0.853 0.559 CB 1.438 35 residues pruned to eliminate duplicates Z: 9 7.395 1.620 0.600 0.486 0.750 0.625 CB 1.365 9 residues pruned to eliminate duplicates Z: 23 33.043 2.302 1.130 0.474 0.955 0.727 CB 1.545 23 residues pruned to eliminate duplicates Z: 18 12.185 1.750 0.395 0.565 0.882 0.588 CB 1.289 36 residues pruned to eliminate duplicates Z: 7 4.959 1.814 -0.022 0.462 0.833 0.500 CB 1.423 Z: 20 50.256 2.359 1.195 0.935 1.000 0.737 CB 1.552 20 residues pruned to eliminate duplicates Z: 14 15.629 1.691 0.832 0.852 0.923 0.769 CB 1.121 14 residues pruned to eliminate duplicates Z: 11 26.314 2.385 1.199 0.636 0.900 0.600 CB 1.552 11 residues pruned to eliminate duplicates Z: 59 48.702 2.194 0.887 0.523 0.931 0.638 CB 1.622 59 residues pruned to eliminate duplicates Z: 7 4.032 1.542 0.705 0.335 0.667 0.333 CB 1.124 Z: 17 26.788 2.500 1.201 0.381 0.875 0.500 CB 1.579 17 residues pruned to eliminate duplicates Z: 13 11.143 1.923 -0.115 0.617 1.000 0.333 CB 1.692 14 residues pruned to eliminate duplicates Z: 12 17.804 1.993 0.930 0.536 0.909 0.545 CB 1.483 12 residues pruned to eliminate duplicates Z: 14 4.474 1.535 -0.017 0.433 0.692 0.385 CB 1.272 8 residues pruned to eliminate duplicates Z: 7 10.067 1.759 0.673 0.709 1.000 0.667 N 1.155 Z: 6 2.517 1.199 0.385 0.618 0.800 0.400 C 0.757 Z: 7 3.389 1.338 -0.127 0.536 1.000 0.500 N 1.143 Z: 14 10.978 1.938 0.112 0.593 0.846 0.692 O 1.527 14 residues pruned to eliminate duplicates 6 0.942 1.507 0.333 0.298 0.400 0.400 N 0.657 ? Z: 16 8.068 1.594 0.636 0.443 0.800 0.400 CB 1.059 16 residues pruned to eliminate duplicates Z: 42 51.286 2.317 1.261 0.641 0.927 0.683 CB 1.445 42 residues pruned to eliminate duplicates Z: 9 7.167 1.798 0.659 0.350 0.750 0.625 CB 1.333 16 residues pruned to eliminate duplicates Z: 16 15.113 2.007 0.936 0.450 0.933 0.533 CB 1.132 16 residues pruned to eliminate duplicates Z: 10 8.065 1.791 0.641 0.620 0.667 0.444 N 1.226 10 residues pruned to eliminate duplicates Z: 36 40.247 2.468 1.192 0.355 0.886 0.571 CB 1.661 36 residues pruned to eliminate duplicates Z: 21 33.268 2.192 1.093 0.712 0.950 0.650 CB 1.408 21 residues pruned to eliminate duplicates Z: 11 18.815 1.960 1.054 0.536 1.000 0.800 CB 1.427 11 residues pruned to eliminate duplicates Z: 7 2.340 1.705 0.182 0.350 0.667 0.333 CB 0.836 Z: 12 7.944 1.856 0.028 0.450 0.818 0.455 O 1.616 Z: 44 38.339 2.154 1.030 0.477 0.884 0.558 CB 1.549 44 residues pruned to eliminate duplicates Z: 38 34.531 2.095 0.969 0.476 0.973 0.595 CB 1.450 38 residues pruned to eliminate duplicates Z: 6 2.627 1.355 0.229 0.331 1.000 0.400 CB 0.849 423 residues left after pruning, divided into chains as follows: A: 186 B: 174 C: 23 D: 40 CC for partial structure against native data = 43.73 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.602, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.699, Connect. = 0.782 for dens.mod. cycle 2 = 0.300, Contrast = 0.836, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.859, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.878, Connect. = 0.810 for dens.mod. cycle 5 = 0.300, Contrast = 0.885, Connect. = 0.811 for dens.mod. cycle 6 = 0.300, Contrast = 0.893, Connect. = 0.812 for dens.mod. cycle 7 = 0.300, Contrast = 0.896, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.899, Connect. = 0.814 for dens.mod. cycle 9 = 0.300, Contrast = 0.900, Connect. = 0.814 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2515 peaks > 0.5 sigma used to seed fragment search Space for about 666 unique residues taking solvent into account 559 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 68 52.709 2.407 0.756 0.444 0.955 0.597 CB 1.690 B: 62 68.798 2.467 1.146 0.616 0.934 0.689 CB 1.595 C: 33 40.421 2.375 0.689 0.619 0.938 0.531 CB 1.698 D: 74 64.578 2.334 0.931 0.586 0.945 0.658 CB 1.634 33 residues pruned to eliminate duplicates E: 21 40.649 2.406 1.091 0.787 0.950 0.850 CB 1.477 16 residues pruned to eliminate duplicates F: 18 26.467 2.241 0.875 0.488 0.882 0.412 CB 1.751 G: 27 26.269 2.505 0.986 0.233 0.846 0.577 CB 1.670 27 residues pruned to eliminate duplicates H: 18 25.184 2.215 1.119 0.522 0.882 0.471 CB 1.443 17 residues pruned to eliminate duplicates I: 21 55.585 2.375 1.198 0.921 1.000 0.800 CB 1.676 21 residues pruned to eliminate duplicates J: 59 51.238 2.305 0.826 0.505 0.931 0.586 CB 1.708 53 residues pruned to eliminate duplicates K: 17 55.893 2.497 1.137 0.946 1.000 0.688 CB 1.811 L: 8 15.936 2.307 1.071 0.494 0.714 0.571 CA 1.776 8 residues pruned to eliminate duplicates M: 7 12.774 1.939 0.955 0.698 0.833 0.500 CA 1.378 7 residues pruned to eliminate duplicates N: 13 20.207 2.191 1.397 0.513 0.917 0.667 CB 1.196 13 residues pruned to eliminate duplicates O: 40 38.551 2.274 1.005 0.594 0.872 0.667 CB 1.420 40 residues pruned to eliminate duplicates P: 20 56.620 2.422 1.212 0.926 1.000 0.842 CB 1.701 20 residues pruned to eliminate duplicates Q: 32 56.347 2.381 1.154 0.697 0.968 0.645 CB 1.703 32 residues pruned to eliminate duplicates R: 87 60.029 2.341 0.908 0.431 0.895 0.593 CB 1.739 74 residues pruned to eliminate duplicates S: 20 23.744 2.123 0.934 0.624 0.895 0.474 CB 1.320 11 residues pruned to eliminate duplicates T: 19 51.204 2.439 1.105 0.941 0.944 0.444 CB 1.727 18 residues pruned to eliminate duplicates U: 20 44.807 2.262 1.053 0.941 0.947 0.684 CB 1.621 20 residues pruned to eliminate duplicates V: 16 27.492 2.211 0.894 0.641 0.933 0.600 CB 1.591 19 residues pruned to eliminate duplicates W: 20 57.026 2.444 1.330 0.926 0.947 0.789 CB 1.701 20 residues pruned to eliminate duplicates X: 131 72.824 2.296 1.024 0.444 0.931 0.615 CB 1.564 87 residues pruned to eliminate duplicates Y: 21 59.045 2.357 1.354 0.924 1.000 0.850 CB 1.671 21 residues pruned to eliminate duplicates Z: 22 40.326 2.355 1.055 0.795 0.952 0.714 CB 1.474 22 residues pruned to eliminate duplicates Z: 16 35.508 2.507 1.529 0.530 0.933 0.667 CB 1.504 16 residues pruned to eliminate duplicates Z: 31 51.044 2.335 1.361 0.675 0.900 0.467 CB 1.598 33 residues pruned to eliminate duplicates Z: 9 24.070 2.174 0.788 0.803 1.000 0.875 CB 1.680 8 residues pruned to eliminate duplicates Z: 43 39.807 2.349 1.187 0.383 0.833 0.667 CB 1.625 43 residues pruned to eliminate duplicates Z: 16 20.626 2.372 1.170 0.419 0.733 0.467 CB 1.535 16 residues pruned to eliminate duplicates Z: 19 56.623 2.445 1.147 0.957 1.000 0.833 CA 1.745 18 residues pruned to eliminate duplicates Z: 19 53.954 2.447 1.075 0.938 1.000 0.833 CB 1.741 19 residues pruned to eliminate duplicates Z: 21 56.341 2.362 1.272 0.917 1.000 0.850 CB 1.657 21 residues pruned to eliminate duplicates Z: 19 46.361 2.345 0.918 0.940 1.000 0.778 CA 1.687 19 residues pruned to eliminate duplicates Z: 26 60.252 2.565 1.356 0.691 0.960 0.720 CB 1.744 26 residues pruned to eliminate duplicates Z: 18 56.759 2.490 1.079 0.940 1.000 0.471 CA 1.846 18 residues pruned to eliminate duplicates Z: 17 46.802 2.488 0.948 0.928 0.938 0.812 CB 1.804 17 residues pruned to eliminate duplicates Z: 64 63.822 2.465 1.187 0.584 0.873 0.524 CB 1.576 64 residues pruned to eliminate duplicates Z: 86 69.596 2.468 0.970 0.593 0.871 0.541 CB 1.631 89 residues pruned to eliminate duplicates Z: 38 43.200 2.334 0.994 0.544 0.892 0.541 CB 1.639 38 residues pruned to eliminate duplicates Z: 26 41.681 2.420 0.967 0.600 0.880 0.520 CB 1.808 26 residues pruned to eliminate duplicates Z: 11 17.018 2.085 1.008 0.520 0.800 0.600 CB 1.575 11 residues pruned to eliminate duplicates Z: 13 14.477 2.096 0.846 0.432 0.917 0.417 CB 1.264 13 residues pruned to eliminate duplicates Z: 21 59.862 2.344 1.450 0.939 1.000 0.800 CB 1.620 21 residues pruned to eliminate duplicates Z: 19 52.254 2.461 1.063 0.945 0.944 0.722 CB 1.777 19 residues pruned to eliminate duplicates Z: 110 71.371 2.364 0.929 0.569 0.881 0.578 CB 1.592 110 residues pruned to eliminate duplicates Z: 18 21.406 2.373 1.077 0.350 0.765 0.647 CB 1.620 18 residues pruned to eliminate duplicates Z: 21 55.770 2.339 1.316 0.923 1.000 0.800 CB 1.617 21 residues pruned to eliminate duplicates Z: 20 48.542 2.392 1.119 0.764 1.000 0.789 CB 1.739 20 residues pruned to eliminate duplicates Z: 12 9.065 1.884 0.611 0.439 0.818 0.364 CB 1.172 12 residues pruned to eliminate duplicates Z: 19 53.900 2.443 1.040 0.946 1.000 0.722 CB 1.764 19 residues pruned to eliminate duplicates Z: 58 41.027 2.103 0.797 0.529 0.912 0.439 CB 1.532 58 residues pruned to eliminate duplicates Z: 16 29.448 2.326 0.472 0.807 1.000 0.667 CA 1.699 16 residues pruned to eliminate duplicates Z: 12 23.886 1.946 0.963 0.718 1.000 0.545 CB 1.548 7 residues pruned to eliminate duplicates Z: 20 55.262 2.474 1.236 0.928 0.947 0.842 CB 1.694 20 residues pruned to eliminate duplicates Z: 47 38.260 2.224 0.774 0.522 0.935 0.413 CB 1.496 47 residues pruned to eliminate duplicates Z: 14 27.942 2.312 1.003 0.542 1.000 0.615 CB 1.607 14 residues pruned to eliminate duplicates Z: 21 37.668 2.325 1.073 0.684 0.950 0.500 CB 1.554 21 residues pruned to eliminate duplicates Z: 21 60.919 2.359 1.418 0.922 1.000 0.800 CB 1.679 21 residues pruned to eliminate duplicates Z: 70 69.273 2.526 1.112 0.536 0.870 0.580 CB 1.735 70 residues pruned to eliminate duplicates Z: 20 48.176 2.447 0.965 0.912 0.947 0.895 CB 1.718 20 residues pruned to eliminate duplicates Z: 19 42.598 2.398 0.688 0.945 1.000 0.667 CA 1.716 19 residues pruned to eliminate duplicates Z: 37 49.398 2.383 1.125 0.635 0.917 0.611 CB 1.563 37 residues pruned to eliminate duplicates Z: 29 29.824 2.044 0.896 0.585 0.964 0.821 CB 1.390 Z: 8 19.774 2.214 0.680 0.882 1.000 0.857 CB 1.453 8 residues pruned to eliminate duplicates Z: 9 14.698 2.162 0.469 0.497 0.875 0.500 CB 1.877 9 residues pruned to eliminate duplicates Z: 17 33.213 2.237 0.655 0.830 1.000 0.562 CA 1.686 17 residues pruned to eliminate duplicates Z: 19 27.611 2.485 0.741 0.333 0.944 0.778 CB 1.912 19 residues pruned to eliminate duplicates Z: 16 28.446 2.293 0.520 0.800 0.933 0.667 CA 1.736 16 residues pruned to eliminate duplicates Z: 33 46.050 2.342 1.091 0.575 0.875 0.562 CB 1.767 33 residues pruned to eliminate duplicates Z: 16 29.004 2.304 0.443 0.778 1.000 0.533 CA 1.763 16 residues pruned to eliminate duplicates Z: 19 40.361 2.323 0.810 0.907 0.944 0.778 CA 1.702 19 residues pruned to eliminate duplicates Z: 14 28.288 2.367 0.508 0.839 1.000 0.846 CA 1.641 14 residues pruned to eliminate duplicates Z: 19 55.104 2.466 1.068 0.958 1.000 0.833 CB 1.747 19 residues pruned to eliminate duplicates Z: 13 35.618 2.424 0.610 0.883 1.000 0.583 CB 1.904 13 residues pruned to eliminate duplicates Z: 80 60.245 2.341 0.849 0.595 0.911 0.608 CB 1.570 80 residues pruned to eliminate duplicates Z: 85 78.260 2.483 1.042 0.611 0.917 0.583 CB 1.653 85 residues pruned to eliminate duplicates Z: 14 26.239 2.410 0.379 0.862 0.923 0.846 CA 1.742 14 residues pruned to eliminate duplicates Z: 10 18.562 1.973 0.835 0.816 1.000 0.667 CB 1.298 10 residues pruned to eliminate duplicates Z: 41 52.375 2.291 1.168 0.690 0.875 0.600 CB 1.600 41 residues pruned to eliminate duplicates Z: 16 27.909 2.260 0.379 0.852 1.000 0.667 CA 1.710 16 residues pruned to eliminate duplicates Z: 31 18.797 1.926 0.732 0.435 0.867 0.400 CB 1.269 31 residues pruned to eliminate duplicates Z: 48 38.984 2.346 0.890 0.335 0.894 0.532 CB 1.718 48 residues pruned to eliminate duplicates Z: 40 38.773 2.263 0.844 0.544 0.923 0.641 CB 1.544 40 residues pruned to eliminate duplicates Z: 19 51.880 2.359 1.303 0.893 0.944 0.611 CB 1.712 20 residues pruned to eliminate duplicates Z: 24 23.522 2.141 0.943 0.473 0.870 0.565 CB 1.394 24 residues pruned to eliminate duplicates Z: 49 36.379 2.385 0.865 0.308 0.854 0.562 CB 1.711 49 residues pruned to eliminate duplicates Z: 10 11.593 2.097 0.554 0.525 0.778 0.444 CB 1.487 10 residues pruned to eliminate duplicates Z: 110 58.886 2.192 0.877 0.446 0.917 0.633 CB 1.580 102 residues pruned to eliminate duplicates Z: 17 26.378 2.099 0.585 0.919 0.938 0.750 CB 1.489 17 residues pruned to eliminate duplicates Z: 140 74.000 2.286 0.837 0.497 0.921 0.540 CB 1.628 308 residues pruned to eliminate duplicates Z: 82 70.371 2.428 1.042 0.594 0.877 0.556 CB 1.645 82 residues pruned to eliminate duplicates Z: 20 47.327 2.413 1.059 0.906 0.947 0.842 CB 1.642 20 residues pruned to eliminate duplicates Z: 34 38.677 2.331 0.760 0.621 0.909 0.667 CB 1.611 34 residues pruned to eliminate duplicates Z: 18 24.724 2.061 0.446 0.853 0.941 0.588 CB 1.579 18 residues pruned to eliminate duplicates Z: 10 14.056 2.095 0.775 0.589 0.667 0.556 CB 1.736 10 residues pruned to eliminate duplicates Z: 16 26.590 2.185 0.564 0.918 0.867 0.800 CB 1.635 16 residues pruned to eliminate duplicates Z: 27 29.936 2.496 1.121 0.272 0.808 0.615 CB 1.780 Z: 20 61.967 2.452 1.356 0.924 1.000 0.684 CB 1.728 20 residues pruned to eliminate duplicates Z: 61 40.208 2.243 0.807 0.483 0.900 0.567 CB 1.447 61 residues pruned to eliminate duplicates Z: 17 24.504 2.078 0.457 0.914 0.938 0.812 CB 1.527 17 residues pruned to eliminate duplicates Z: 12 8.371 1.824 0.594 0.390 0.727 0.545 CB 1.341 12 residues pruned to eliminate duplicates Z: 20 60.962 2.447 1.391 0.933 1.000 0.632 CB 1.668 20 residues pruned to eliminate duplicates Z: 11 16.776 2.093 0.260 0.773 1.000 0.700 CB 1.580 Z: 42 36.418 2.217 0.994 0.481 0.902 0.561 CB 1.454 Z: 25 25.101 2.239 0.872 0.433 0.833 0.542 CB 1.572 25 residues pruned to eliminate duplicates Z: 22 41.783 2.368 1.185 0.684 0.905 0.762 CB 1.645 22 residues pruned to eliminate duplicates Z: 7 17.038 2.353 0.392 0.782 1.000 0.667 CA 1.656 7 residues pruned to eliminate duplicates Z: 7 9.032 1.772 0.557 0.740 1.000 0.667 CB 1.077 Z: 41 35.457 2.142 0.877 0.479 0.900 0.500 CB 1.583 Z: 9 4.788 2.021 -0.332 0.497 0.875 0.625 CB 1.437 Z: 11 16.172 1.949 0.610 0.744 0.900 0.700 CA 1.455 11 residues pruned to eliminate duplicates Z: 12 41.792 2.545 1.120 0.661 1.000 0.636 CB 2.012 12 residues pruned to eliminate duplicates Z: 37 36.424 2.181 0.888 0.479 0.944 0.556 CB 1.595 37 residues pruned to eliminate duplicates Z: 7 11.388 2.265 0.524 0.714 0.833 0.667 CA 1.332 7 residues pruned to eliminate duplicates Z: 39 59.857 2.343 1.148 0.700 0.947 0.632 CB 1.697 39 residues pruned to eliminate duplicates Z: 85 71.790 2.463 1.055 0.567 0.881 0.679 CB 1.646 85 residues pruned to eliminate duplicates Z: 8 16.797 1.999 0.665 0.876 0.857 0.714 CB 1.618 Z: 47 40.072 2.153 0.836 0.545 0.935 0.630 CB 1.530 47 residues pruned to eliminate duplicates Z: 12 19.226 2.000 0.849 0.746 0.909 0.636 CB 1.384 12 residues pruned to eliminate duplicates Z: 18 22.630 2.158 0.879 0.580 0.882 0.706 CB 1.421 18 residues pruned to eliminate duplicates Z: 19 45.867 2.411 0.804 0.938 1.000 0.833 CB 1.728 19 residues pruned to eliminate duplicates Z: 10 15.322 2.061 0.346 0.770 1.000 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 19 46.287 2.448 0.801 0.933 1.000 0.778 CA 1.727 18 residues pruned to eliminate duplicates Z: 18 22.253 2.073 0.390 0.799 0.941 0.529 CB 1.532 11 residues pruned to eliminate duplicates Z: 6 2.667 1.598 0.185 0.473 0.600 0.400 CA 1.079 Z: 53 34.694 2.070 1.054 0.447 0.865 0.481 CB 1.381 42 residues pruned to eliminate duplicates Z: 19 57.582 2.404 1.333 0.949 0.944 0.556 CB 1.768 19 residues pruned to eliminate duplicates Z: 19 58.492 2.408 1.311 0.949 1.000 0.611 CB 1.709 19 residues pruned to eliminate duplicates Z: 19 52.571 2.375 1.292 0.938 0.944 0.444 CB 1.676 19 residues pruned to eliminate duplicates Z: 16 27.640 2.176 0.518 0.940 0.933 0.867 CB 1.607 16 residues pruned to eliminate duplicates Z: 27 36.195 2.335 0.988 0.593 0.923 0.769 CB 1.515 34 residues pruned to eliminate duplicates Z: 11 18.264 2.048 0.471 0.875 1.000 0.900 CA 1.395 11 residues pruned to eliminate duplicates Z: 51 52.035 2.287 1.001 0.594 0.860 0.580 CB 1.709 51 residues pruned to eliminate duplicates Z: 38 54.271 2.318 1.115 0.658 0.946 0.676 CB 1.662 38 residues pruned to eliminate duplicates Z: 55 67.264 2.395 1.156 0.626 0.944 0.778 CB 1.666 55 residues pruned to eliminate duplicates Z: 16 26.994 2.286 0.480 0.816 0.933 0.733 CA 1.677 17 residues pruned to eliminate duplicates Z: 8 14.607 1.872 0.920 0.864 1.000 0.857 CA 1.127 8 residues pruned to eliminate duplicates Z: 8 8.538 2.158 0.181 0.801 0.714 0.714 CA 1.362 8 residues pruned to eliminate duplicates Z: 84 78.905 2.487 1.098 0.592 0.892 0.663 CB 1.705 84 residues pruned to eliminate duplicates Z: 65 43.640 2.340 0.935 0.355 0.891 0.547 CB 1.582 59 residues pruned to eliminate duplicates Z: 12 16.280 1.951 0.755 0.669 0.909 0.636 CB 1.349 12 residues pruned to eliminate duplicates Z: 18 22.976 2.254 0.787 0.450 0.941 0.588 CB 1.548 18 residues pruned to eliminate duplicates Z: 8 24.897 2.254 0.786 0.875 1.000 1.000 CB 1.700 8 residues pruned to eliminate duplicates Z: 21 36.153 2.228 0.938 0.665 0.900 0.650 CB 1.786 21 residues pruned to eliminate duplicates Z: 11 13.147 1.824 0.562 0.653 0.900 0.500 CB 1.406 10 residues pruned to eliminate duplicates Z: 25 19.959 1.888 0.716 0.576 0.875 0.500 CB 1.336 Z: 10 17.246 1.994 0.458 0.840 1.000 0.333 CB 1.475 10 residues pruned to eliminate duplicates Z: 98 79.737 2.406 1.048 0.589 0.928 0.701 CB 1.627 98 residues pruned to eliminate duplicates Z: 29 34.039 2.220 1.035 0.531 0.929 0.607 CB 1.488 29 residues pruned to eliminate duplicates Z: 10 18.894 2.016 0.769 0.893 0.889 0.889 CB 1.426 10 residues pruned to eliminate duplicates Z: 68 51.411 2.324 0.838 0.441 0.925 0.567 CB 1.689 50 residues pruned to eliminate duplicates Z: 17 24.014 2.345 0.866 0.563 0.875 0.500 CB 1.474 17 residues pruned to eliminate duplicates Z: 7 14.342 1.994 0.826 0.815 1.000 0.667 CA 1.223 7 residues pruned to eliminate duplicates Z: 54 26.166 1.938 0.692 0.462 0.887 0.509 CB 1.286 54 residues pruned to eliminate duplicates Z: 16 19.663 2.110 0.238 0.911 0.933 0.800 CB 1.476 16 residues pruned to eliminate duplicates Z: 35 47.696 2.370 0.813 0.666 0.971 0.735 CB 1.682 35 residues pruned to eliminate duplicates Z: 54 54.014 2.276 0.898 0.626 0.925 0.585 CB 1.649 54 residues pruned to eliminate duplicates Z: 19 45.789 2.507 1.070 0.929 0.889 0.833 CB 1.638 19 residues pruned to eliminate duplicates Z: 10 9.791 2.013 0.218 0.799 0.778 0.667 CB 1.317 10 residues pruned to eliminate duplicates Z: 16 29.835 2.162 0.702 0.914 0.933 0.800 CB 1.586 16 residues pruned to eliminate duplicates Z: 63 47.193 2.321 0.737 0.482 0.919 0.613 CB 1.646 65 residues pruned to eliminate duplicates Z: 8 19.817 2.125 0.624 0.826 1.000 0.857 CB 1.636 8 residues pruned to eliminate duplicates Z: 12 9.936 1.891 0.343 0.636 0.818 0.545 CB 1.269 Z: 27 29.137 2.438 0.953 0.310 0.846 0.654 CB 1.752 27 residues pruned to eliminate duplicates Z: 9 25.739 2.275 0.849 0.899 1.000 0.625 CB 1.546 9 residues pruned to eliminate duplicates Z: 44 33.361 2.060 0.711 0.501 0.907 0.512 CB 1.590 44 residues pruned to eliminate duplicates Z: 85 47.818 2.134 0.704 0.529 0.929 0.655 CB 1.501 110 residues pruned to eliminate duplicates Z: 17 18.606 2.233 0.642 0.465 0.875 0.625 CB 1.502 17 residues pruned to eliminate duplicates Z: 17 24.987 2.064 0.502 0.918 0.938 0.750 CB 1.516 17 residues pruned to eliminate duplicates Z: 123 65.038 2.223 0.939 0.464 0.910 0.598 CB 1.557 93 residues pruned to eliminate duplicates Z: 17 24.053 2.127 0.302 0.873 1.000 0.750 CB 1.581 17 residues pruned to eliminate duplicates Z: 9 8.154 2.176 0.391 0.182 1.000 0.500 CB 1.398 9 residues pruned to eliminate duplicates Z: 33 57.574 2.432 1.432 0.590 0.844 0.531 CB 1.872 33 residues pruned to eliminate duplicates Z: 37 31.933 2.143 0.754 0.481 0.917 0.528 CB 1.574 37 residues pruned to eliminate duplicates Z: 33 54.527 2.388 1.337 0.696 0.906 0.656 CB 1.593 33 residues pruned to eliminate duplicates Z: 19 41.373 2.421 0.649 0.930 1.000 0.889 CA 1.709 19 residues pruned to eliminate duplicates Z: 70 59.827 2.442 0.830 0.617 0.855 0.609 CB 1.687 70 residues pruned to eliminate duplicates Z: 41 33.826 2.153 0.801 0.473 0.925 0.575 CB 1.533 25 residues pruned to eliminate duplicates Z: 47 32.078 2.078 0.791 0.440 0.870 0.522 CB 1.555 41 residues pruned to eliminate duplicates Z: 20 43.343 2.335 1.150 0.733 0.947 0.579 CB 1.695 20 residues pruned to eliminate duplicates Z: 21 50.100 2.333 1.024 0.936 1.000 0.850 CB 1.652 21 residues pruned to eliminate duplicates Z: 20 18.561 2.004 0.552 0.483 0.895 0.368 CB 1.557 20 residues pruned to eliminate duplicates Z: 12 16.733 2.168 0.617 0.597 0.909 0.455 CB 1.443 12 residues pruned to eliminate duplicates Z: 15 16.789 2.010 0.920 0.348 0.929 0.643 CA 1.476 15 residues pruned to eliminate duplicates Z: 7 7.276 1.908 1.256 0.389 0.833 0.500 CB 0.931 7 residues pruned to eliminate duplicates Z: 6 12.665 2.084 0.925 0.492 1.000 0.800 CB 1.423 6 residues pruned to eliminate duplicates Z: 18 20.269 2.089 0.318 0.824 0.882 0.706 CB 1.528 18 residues pruned to eliminate duplicates Z: 17 22.111 2.136 0.788 0.494 1.000 0.688 CB 1.457 17 residues pruned to eliminate duplicates Z: 20 23.647 2.203 1.027 0.366 0.789 0.579 CB 1.777 20 residues pruned to eliminate duplicates Z: 17 29.600 2.234 0.512 0.814 1.000 0.625 CB 1.668 17 residues pruned to eliminate duplicates Z: 82 52.995 2.289 0.789 0.554 0.889 0.654 CB 1.535 82 residues pruned to eliminate duplicates Z: 138 67.718 2.256 0.917 0.439 0.905 0.547 CB 1.574 133 residues pruned to eliminate duplicates Z: 12 13.956 2.051 0.638 0.604 0.818 0.727 CB 1.387 12 residues pruned to eliminate duplicates Z: 29 22.216 2.129 0.590 0.416 0.821 0.429 CB 1.648 29 residues pruned to eliminate duplicates Z: 12 17.862 2.380 0.713 0.466 0.818 0.636 CB 1.673 12 residues pruned to eliminate duplicates Z: 25 31.285 2.282 1.241 0.494 0.875 0.667 CB 1.435 25 residues pruned to eliminate duplicates Z: 16 24.686 2.191 0.854 0.652 0.933 0.533 CB 1.459 16 residues pruned to eliminate duplicates Z: 85 74.243 2.472 0.950 0.620 0.881 0.714 CB 1.703 85 residues pruned to eliminate duplicates Z: 19 24.112 2.158 0.577 0.565 0.944 0.722 CA 1.661 19 residues pruned to eliminate duplicates Z: 16 28.257 2.155 0.576 0.910 0.933 0.733 CB 1.633 16 residues pruned to eliminate duplicates Z: 14 15.075 1.790 0.432 0.891 1.000 0.923 CB 1.172 14 residues pruned to eliminate duplicates Z: 26 42.243 2.294 1.013 0.677 0.920 0.720 CB 1.689 26 residues pruned to eliminate duplicates Z: 14 15.398 1.784 0.415 0.877 1.000 0.846 CB 1.229 14 residues pruned to eliminate duplicates Z: 58 63.142 2.494 1.014 0.555 0.947 0.684 CB 1.666 58 residues pruned to eliminate duplicates Z: 19 46.704 2.432 0.797 0.942 1.000 0.944 CB 1.746 19 residues pruned to eliminate duplicates Z: 17 28.094 2.148 0.576 0.848 1.000 0.625 CB 1.540 17 residues pruned to eliminate duplicates Z: 6 8.715 2.037 0.210 0.875 1.000 1.000 CB 1.151 6 residues pruned to eliminate duplicates Z: 84 78.510 2.487 1.076 0.577 0.928 0.687 CB 1.670 84 residues pruned to eliminate duplicates Z: 37 35.471 2.222 0.761 0.479 0.944 0.528 CB 1.634 12 residues pruned to eliminate duplicates Z: 23 25.810 2.247 0.691 0.482 0.909 0.636 CB 1.621 23 residues pruned to eliminate duplicates Z: 7 5.593 1.791 0.886 0.615 0.833 0.667 N 0.727 Z: 20 54.632 2.386 1.349 0.915 1.000 0.368 CB 1.581 20 residues pruned to eliminate duplicates Z: 7 19.369 2.394 1.236 0.694 0.833 0.667 CB 1.485 7 residues pruned to eliminate duplicates Z: 6 11.507 2.265 0.782 0.798 0.800 0.600 CA 1.228 6 residues pruned to eliminate duplicates Z: 7 3.940 1.928 -0.412 0.683 0.833 0.667 C 1.439 6 residues pruned to eliminate duplicates Z: 9 9.352 1.614 0.453 0.844 0.875 0.750 CB 1.199 9 residues pruned to eliminate duplicates Z: 158 68.171 2.216 0.855 0.444 0.904 0.618 CB 1.551 158 residues pruned to eliminate duplicates Z: 11 28.976 2.515 1.072 0.534 0.900 0.500 CA 1.889 11 residues pruned to eliminate duplicates Z: 50 22.138 1.915 0.751 0.422 0.796 0.531 CB 1.286 50 residues pruned to eliminate duplicates Z: 11 11.635 1.984 0.068 0.471 1.000 0.500 CA 1.787 Z: 44 64.851 2.545 1.021 0.657 0.977 0.674 CB 1.702 44 residues pruned to eliminate duplicates Z: 39 42.675 2.503 1.345 0.327 0.842 0.579 CB 1.693 39 residues pruned to eliminate duplicates Z: 8 7.865 1.630 0.508 0.889 1.000 1.000 CB 0.871 8 residues pruned to eliminate duplicates Z: 26 34.193 2.489 1.054 0.273 0.960 0.720 CB 1.802 26 residues pruned to eliminate duplicates Z: 54 37.027 2.168 0.765 0.530 0.925 0.528 CB 1.396 54 residues pruned to eliminate duplicates Z: 56 33.484 2.007 0.702 0.545 0.927 0.600 CB 1.364 64 residues pruned to eliminate duplicates 6 1.309 1.290 0.136 0.408 0.600 0.600 N 0.733 ? Z: 49 43.094 2.330 1.126 0.415 0.896 0.625 CB 1.532 49 residues pruned to eliminate duplicates Z: 16 20.311 2.078 0.815 0.487 0.933 0.667 CB 1.509 16 residues pruned to eliminate duplicates Z: 16 26.593 2.312 0.438 0.818 0.933 0.533 CB 1.679 16 residues pruned to eliminate duplicates Z: 18 38.486 2.410 0.716 0.934 0.941 0.941 CA 1.672 18 residues pruned to eliminate duplicates Z: 74 52.803 2.359 0.821 0.453 0.918 0.548 CB 1.645 74 residues pruned to eliminate duplicates Z: 21 44.936 2.320 1.056 0.913 0.950 0.850 CB 1.570 21 residues pruned to eliminate duplicates Z: 22 38.384 2.249 0.873 0.701 1.000 0.714 CB 1.656 22 residues pruned to eliminate duplicates Z: 9 16.215 1.903 0.500 0.880 1.000 0.875 CB 1.455 9 residues pruned to eliminate duplicates Z: 10 2.138 1.768 0.349 0.298 0.667 0.444 CB 0.562 7 residues pruned to eliminate duplicates Z: 15 17.896 1.779 0.697 0.895 1.000 0.857 CB 1.136 15 residues pruned to eliminate duplicates Z: 60 27.378 1.902 0.560 0.512 0.898 0.661 CB 1.321 60 residues pruned to eliminate duplicates Z: 8 2.967 1.936 0.582 0.487 0.857 0.286 CB 0.433 Z: 9 27.538 2.253 0.937 0.893 1.000 0.750 CB 1.601 9 residues pruned to eliminate duplicates Z: 125 62.456 2.298 0.938 0.425 0.863 0.605 CB 1.578 125 residues pruned to eliminate duplicates Z: 9 15.025 1.991 0.764 0.684 0.750 0.750 C 1.703 9 residues pruned to eliminate duplicates Z: 12 20.969 2.157 0.948 0.370 1.000 0.727 CB 1.729 12 residues pruned to eliminate duplicates Z: 14 17.323 1.805 0.564 0.894 1.000 0.846 CB 1.221 14 residues pruned to eliminate duplicates Z: 22 36.268 2.330 0.959 0.764 1.000 0.667 CB 1.372 22 residues pruned to eliminate duplicates Z: 40 44.461 2.265 1.106 0.524 0.949 0.590 CB 1.536 40 residues pruned to eliminate duplicates Z: 6 11.633 2.045 0.326 0.735 1.000 0.600 CB 1.553 6 residues pruned to eliminate duplicates Z: 21 16.221 2.023 0.521 0.474 0.750 0.400 CB 1.613 21 residues pruned to eliminate duplicates Z: 8 18.219 2.115 0.513 0.836 1.000 1.000 CB 1.610 8 residues pruned to eliminate duplicates Z: 7 5.798 1.978 -0.190 0.606 0.833 0.667 CB 1.603 Z: 12 8.886 1.882 0.584 0.493 0.909 0.545 CB 0.996 11 residues pruned to eliminate duplicates Z: 6 6.239 1.817 0.629 0.718 0.800 0.600 CB 0.968 6 residues pruned to eliminate duplicates Z: 20 53.279 2.449 1.133 0.930 0.947 0.895 CB 1.727 20 residues pruned to eliminate duplicates Z: 17 27.393 2.067 0.781 0.889 0.938 0.312 CB 1.428 17 residues pruned to eliminate duplicates Z: 19 56.289 2.300 1.334 0.938 1.000 0.333 CB 1.719 19 residues pruned to eliminate duplicates Z: 6 10.508 1.918 0.422 0.795 1.000 0.600 CA 1.331 6 residues pruned to eliminate duplicates Z: 36 32.902 2.216 0.756 0.490 0.914 0.600 CB 1.580 36 residues pruned to eliminate duplicates Z: 123 68.064 2.313 0.930 0.457 0.893 0.623 CB 1.614 123 residues pruned to eliminate duplicates Z: 17 23.880 2.141 0.526 0.848 0.875 0.688 CB 1.549 17 residues pruned to eliminate duplicates Z: 17 32.594 2.178 0.683 0.900 1.000 0.562 CB 1.588 17 residues pruned to eliminate duplicates Z: 14 21.831 2.085 0.793 0.573 0.923 0.615 CB 1.635 14 residues pruned to eliminate duplicates Z: 11 14.634 2.235 0.737 0.532 0.700 0.600 CB 1.649 11 residues pruned to eliminate duplicates Z: 18 10.406 1.753 0.272 0.774 0.824 0.765 CB 1.079 18 residues pruned to eliminate duplicates Z: 55 43.378 2.216 0.753 0.534 0.944 0.593 CB 1.556 55 residues pruned to eliminate duplicates Z: 102 64.622 2.346 0.863 0.435 0.921 0.604 CB 1.708 191 residues pruned to eliminate duplicates Z: 114 56.377 2.220 0.746 0.461 0.903 0.575 CB 1.577 114 residues pruned to eliminate duplicates Z: 9 15.679 2.069 0.703 0.720 0.750 0.750 CA 1.719 9 residues pruned to eliminate duplicates Z: 21 40.319 2.319 1.046 0.742 1.000 0.700 CB 1.530 21 residues pruned to eliminate duplicates Z: 12 13.123 2.131 0.474 0.536 0.727 0.545 CB 1.672 12 residues pruned to eliminate duplicates Z: 11 18.693 2.021 0.876 0.681 1.000 0.500 CB 1.320 11 residues pruned to eliminate duplicates Z: 38 18.299 1.884 0.583 0.423 0.757 0.432 CB 1.445 Z: 100 69.370 2.383 0.948 0.601 0.869 0.636 CB 1.570 100 residues pruned to eliminate duplicates Z: 20 26.562 2.218 0.870 0.553 0.842 0.789 CB 1.656 20 residues pruned to eliminate duplicates Z: 13 17.196 2.109 0.788 0.380 0.917 0.667 CB 1.631 13 residues pruned to eliminate duplicates Z: 98 76.839 2.374 0.996 0.593 0.938 0.680 CB 1.605 98 residues pruned to eliminate duplicates Z: 11 7.611 1.848 0.561 0.444 0.700 0.200 CB 1.263 11 residues pruned to eliminate duplicates Z: 32 56.931 2.428 1.262 0.693 0.935 0.710 CB 1.669 32 residues pruned to eliminate duplicates Z: 7 3.931 1.381 0.104 0.727 1.000 0.667 CB 0.857 Z: 50 34.050 2.121 1.010 0.471 0.898 0.694 CB 1.308 50 residues pruned to eliminate duplicates Z: 27 29.908 2.162 1.118 0.400 0.923 0.654 CB 1.542 27 residues pruned to eliminate duplicates Z: 40 34.168 2.190 0.730 0.558 0.846 0.590 CB 1.612 40 residues pruned to eliminate duplicates Z: 12 15.893 2.103 0.920 0.684 0.818 0.727 CB 1.226 Z: 20 30.560 2.285 0.298 0.935 1.000 1.000 CA 1.647 20 residues pruned to eliminate duplicates Z: 35 46.248 2.335 0.862 0.666 0.941 0.706 CB 1.662 35 residues pruned to eliminate duplicates Z: 49 29.297 2.062 0.702 0.413 0.896 0.604 CB 1.473 38 residues pruned to eliminate duplicates Z: 9 11.100 1.655 0.738 0.848 1.000 0.875 CB 1.012 9 residues pruned to eliminate duplicates Z: 18 10.895 1.900 0.530 0.407 1.000 0.588 CB 1.002 18 residues pruned to eliminate duplicates Z: 10 14.578 1.952 0.629 0.627 0.889 0.556 CB 1.525 10 residues pruned to eliminate duplicates Z: 51 28.196 1.982 0.664 0.506 0.860 0.580 CB 1.398 51 residues pruned to eliminate duplicates Z: 15 25.386 2.317 1.640 0.570 0.786 0.571 CB 1.319 15 residues pruned to eliminate duplicates Z: 11 3.803 1.522 0.219 0.253 0.800 0.300 CB 1.076 Z: 12 3.653 1.730 -0.057 0.390 0.727 0.273 CB 1.044 Z: 10 5.522 1.421 0.453 0.508 0.778 0.556 CB 1.136 10 residues pruned to eliminate duplicates Z: 13 15.416 2.184 0.644 0.496 0.833 0.583 CB 1.494 13 residues pruned to eliminate duplicates Z: 40 30.792 2.097 0.757 0.473 0.872 0.538 CB 1.578 40 residues pruned to eliminate duplicates Z: 7 21.178 2.413 0.948 0.612 1.000 0.667 CB 1.654 7 residues pruned to eliminate duplicates Z: 18 9.412 1.640 0.522 0.489 0.824 0.647 CB 1.124 18 residues pruned to eliminate duplicates Z: 6 2.395 1.470 0.097 0.501 0.800 0.600 CB 0.830 6 residues pruned to eliminate duplicates Z: 16 40.944 2.434 1.089 0.765 1.000 0.600 CB 1.643 16 residues pruned to eliminate duplicates Z: 52 32.540 2.092 0.859 0.442 0.882 0.627 CB 1.409 52 residues pruned to eliminate duplicates Z: 10 20.260 2.052 0.604 0.870 1.000 0.667 CB 1.498 10 residues pruned to eliminate duplicates Z: 40 24.205 2.181 0.541 0.530 0.821 0.513 CB 1.365 40 residues pruned to eliminate duplicates Z: 74 56.400 2.370 0.875 0.447 0.932 0.589 CB 1.684 74 residues pruned to eliminate duplicates Z: 47 43.074 2.464 1.000 0.308 0.891 0.522 CB 1.788 47 residues pruned to eliminate duplicates Z: 20 51.249 2.352 1.297 0.921 1.000 0.842 CB 1.532 20 residues pruned to eliminate duplicates Z: 32 21.247 1.838 0.923 0.470 0.871 0.581 CB 1.278 32 residues pruned to eliminate duplicates Z: 10 7.612 1.729 0.306 0.517 0.778 0.556 CB 1.421 10 residues pruned to eliminate duplicates Z: 14 13.955 1.992 0.553 0.558 0.923 0.538 CB 1.281 14 residues pruned to eliminate duplicates Z: 27 25.763 2.195 0.992 0.456 0.846 0.731 CB 1.428 27 residues pruned to eliminate duplicates Z: 60 70.124 2.569 1.176 0.580 0.915 0.729 CB 1.652 60 residues pruned to eliminate duplicates Z: 7 10.360 1.859 0.314 0.853 1.000 1.000 CA 1.279 7 residues pruned to eliminate duplicates Z: 14 20.867 2.247 0.962 0.450 0.923 0.615 CB 1.496 14 residues pruned to eliminate duplicates Z: 17 28.197 2.281 1.023 0.564 0.938 0.688 CB 1.531 17 residues pruned to eliminate duplicates Z: 10 14.524 2.050 0.033 0.766 1.000 0.889 CB 1.805 2 residues pruned to eliminate duplicates Z: 17 20.394 2.179 0.699 0.619 0.812 0.500 CB 1.515 17 residues pruned to eliminate duplicates Z: 27 7.672 1.638 0.475 0.382 0.692 0.577 CB 1.020 14 residues pruned to eliminate duplicates Z: 62 36.027 2.050 0.618 0.512 0.918 0.508 CB 1.498 62 residues pruned to eliminate duplicates Z: 9 8.973 2.165 -0.294 0.751 0.875 0.750 O 1.897 10 residues pruned to eliminate duplicates Z: 53 46.361 2.277 0.751 0.516 0.962 0.538 CB 1.651 53 residues pruned to eliminate duplicates Z: 10 16.676 1.733 1.546 0.530 0.778 0.556 N 1.573 10 residues pruned to eliminate duplicates Z: 6 3.923 1.452 0.253 0.689 0.800 0.400 CA 1.014 6 residues pruned to eliminate duplicates Z: 126 67.199 2.314 0.949 0.431 0.904 0.552 CB 1.583 126 residues pruned to eliminate duplicates Z: 6 6.825 1.781 -0.208 0.881 1.000 1.000 N 1.567 7 residues pruned to eliminate duplicates Z: 12 14.588 1.850 0.503 0.905 1.000 0.818 CB 1.126 12 residues pruned to eliminate duplicates Z: 10 14.234 1.970 0.623 0.808 1.000 0.556 CB 1.135 10 residues pruned to eliminate duplicates Z: 7 3.060 1.738 0.695 0.341 0.500 0.500 CB 1.008 Z: 6 5.821 1.782 0.397 0.679 1.000 1.000 CB 0.887 Z: 17 10.237 1.664 0.802 0.441 0.750 0.625 CB 1.209 36 residues pruned to eliminate duplicates Z: 19 20.220 2.201 1.187 0.377 0.889 0.556 CB 1.271 19 residues pruned to eliminate duplicates Z: 21 34.576 2.231 1.145 0.621 0.900 0.600 CB 1.601 21 residues pruned to eliminate duplicates 7 0.627 1.699 0.494 0.135 0.500 0.167 N 0.317 ? Z: 6 2.841 1.639 -0.129 0.471 0.800 0.600 CB 1.146 Z: 7 6.751 1.669 0.585 0.465 0.833 0.667 O 1.297 Z: 18 42.721 2.423 0.733 0.910 1.000 0.882 CA 1.751 18 residues pruned to eliminate duplicates Z: 8 7.793 1.792 0.674 0.503 0.714 0.286 CB 1.370 8 residues pruned to eliminate duplicates Z: 13 14.979 2.131 0.548 0.468 0.833 0.583 CA 1.626 13 residues pruned to eliminate duplicates Z: 38 32.100 2.176 0.732 0.482 0.919 0.459 CB 1.551 38 residues pruned to eliminate duplicates Z: 17 25.447 2.122 0.461 0.863 1.000 0.688 CB 1.506 17 residues pruned to eliminate duplicates Z: 10 5.402 1.664 -0.137 0.610 0.889 0.556 CB 1.271 Z: 50 31.430 2.039 0.785 0.449 0.878 0.469 CB 1.481 50 residues pruned to eliminate duplicates Z: 10 10.519 2.065 0.362 0.506 1.000 0.556 CB 1.240 10 residues pruned to eliminate duplicates Z: 29 23.262 2.138 0.519 0.432 0.929 0.607 CA 1.565 29 residues pruned to eliminate duplicates Z: 7 12.513 1.993 0.401 0.753 1.000 0.667 CB 1.460 7 residues pruned to eliminate duplicates Z: 11 9.418 1.770 0.621 0.440 0.900 0.600 CB 1.227 11 residues pruned to eliminate duplicates Z: 15 19.997 2.038 0.589 0.862 0.857 0.571 CB 1.413 15 residues pruned to eliminate duplicates Z: 16 28.397 2.341 0.590 0.557 1.000 0.467 CA 1.864 16 residues pruned to eliminate duplicates Z: 11 8.218 1.682 0.667 0.540 0.900 0.700 CB 0.991 Z: 40 40.797 2.252 1.143 0.511 0.923 0.615 CB 1.450 40 residues pruned to eliminate duplicates Z: 8 3.652 1.832 -0.263 0.530 0.857 0.571 CB 1.158 Z: 19 15.139 2.097 0.600 0.405 0.833 0.611 CB 1.411 19 residues pruned to eliminate duplicates Z: 41 45.513 2.440 1.036 0.387 0.975 0.600 CB 1.675 41 residues pruned to eliminate duplicates Z: 7 3.656 1.574 0.294 0.283 0.833 0.667 CA 1.123 7 residues pruned to eliminate duplicates Z: 32 52.363 2.449 0.938 0.678 0.935 0.774 CA 1.798 32 residues pruned to eliminate duplicates Z: 36 39.066 2.204 1.171 0.497 0.914 0.629 CB 1.515 36 residues pruned to eliminate duplicates Z: 6 8.204 1.755 0.263 0.747 1.000 0.400 O 1.327 Z: 57 41.141 2.246 0.696 0.520 0.911 0.554 CB 1.555 57 residues pruned to eliminate duplicates Z: 40 41.166 2.477 1.123 0.314 0.872 0.692 CB 1.766 40 residues pruned to eliminate duplicates Z: 6 5.078 1.442 0.111 0.750 1.000 0.800 O 1.134 Z: 7 2.342 1.339 0.511 0.321 0.667 0.333 O 0.864 7 residues pruned to eliminate duplicates Z: 118 62.739 2.246 0.917 0.443 0.906 0.564 CB 1.577 118 residues pruned to eliminate duplicates Z: 6 3.951 1.510 0.665 0.490 0.800 0.800 CB 0.887 6 residues pruned to eliminate duplicates Z: 19 20.320 2.097 0.761 0.521 0.889 0.667 CB 1.429 19 residues pruned to eliminate duplicates Z: 44 58.279 2.419 1.105 0.601 0.953 0.698 CB 1.663 44 residues pruned to eliminate duplicates Z: 12 13.606 1.853 0.459 0.903 0.909 0.818 CB 1.190 12 residues pruned to eliminate duplicates Z: 21 21.063 2.251 0.891 0.501 0.850 0.650 CB 1.301 21 residues pruned to eliminate duplicates Z: 10 4.805 1.667 0.606 0.369 0.667 0.444 CB 1.032 7 residues pruned to eliminate duplicates Z: 10 24.127 2.354 0.779 0.633 1.000 0.778 CB 1.696 10 residues pruned to eliminate duplicates Z: 46 33.378 2.070 0.726 0.470 0.933 0.511 CB 1.539 46 residues pruned to eliminate duplicates Z: 121 69.540 2.307 0.913 0.462 0.925 0.575 CB 1.616 121 residues pruned to eliminate duplicates Z: 13 12.754 2.007 0.655 0.283 0.833 0.833 C 1.699 13 residues pruned to eliminate duplicates Z: 61 66.066 2.465 0.958 0.571 0.950 0.517 CB 1.737 61 residues pruned to eliminate duplicates Z: 14 15.614 1.921 0.804 0.457 0.923 0.615 CB 1.414 14 residues pruned to eliminate duplicates Z: 6 3.521 1.673 0.072 0.635 0.800 0.800 CB 0.967 6 residues pruned to eliminate duplicates Z: 6 18.530 2.341 0.649 0.725 1.000 0.600 CA 1.753 6 residues pruned to eliminate duplicates Z: 8 12.394 1.813 0.818 0.583 0.857 0.857 CB 1.531 8 residues pruned to eliminate duplicates Z: 10 17.494 2.047 0.513 0.864 1.000 0.556 CA 1.380 10 residues pruned to eliminate duplicates Z: 6 4.063 1.639 0.014 0.553 0.800 0.600 CB 1.298 6 residues pruned to eliminate duplicates Z: 6 2.637 1.461 0.088 0.483 1.000 0.400 CA 0.755 Z: 15 17.496 1.908 0.358 0.813 1.000 0.714 CB 1.375 15 residues pruned to eliminate duplicates Z: 28 29.063 2.267 0.885 0.449 0.889 0.630 CB 1.552 28 residues pruned to eliminate duplicates Z: 33 53.520 2.439 1.047 0.664 0.906 0.562 CB 1.796 33 residues pruned to eliminate duplicates Z: 41 39.873 2.401 0.893 0.409 0.925 0.525 CB 1.650 41 residues pruned to eliminate duplicates Z: 10 6.265 1.622 0.358 0.547 0.889 0.444 CB 1.018 10 residues pruned to eliminate duplicates Z: 20 56.627 2.445 1.255 0.906 1.000 0.789 CB 1.676 20 residues pruned to eliminate duplicates Z: 28 35.195 2.273 0.591 0.644 0.963 0.704 CB 1.700 28 residues pruned to eliminate duplicates Z: 34 43.153 2.190 0.866 0.670 0.939 0.606 CB 1.673 34 residues pruned to eliminate duplicates Z: 7 5.816 1.207 0.418 0.849 1.000 1.000 N 1.028 Z: 9 4.817 1.813 -0.163 0.566 0.875 0.500 CB 1.203 9 residues pruned to eliminate duplicates Z: 36 34.114 2.224 0.784 0.470 0.943 0.600 CB 1.588 36 residues pruned to eliminate duplicates Z: 65 50.893 2.268 0.873 0.485 0.922 0.609 CB 1.649 65 residues pruned to eliminate duplicates Z: 6 9.124 1.708 0.733 0.752 1.000 1.000 CB 1.101 Z: 49 39.906 2.208 1.124 0.461 0.875 0.417 CB 1.461 49 residues pruned to eliminate duplicates Z: 6 6.602 1.497 0.741 0.562 1.000 0.600 CB 1.067 Z: 45 43.535 2.248 1.066 0.525 0.909 0.568 CB 1.517 45 residues pruned to eliminate duplicates Z: 18 21.057 2.011 0.459 0.839 0.941 0.353 CB 1.382 18 residues pruned to eliminate duplicates Z: 14 14.149 1.798 0.504 0.862 0.923 0.769 CB 1.154 14 residues pruned to eliminate duplicates Z: 58 50.227 2.318 0.870 0.499 0.912 0.561 CB 1.685 58 residues pruned to eliminate duplicates Z: 25 20.183 2.041 0.673 0.575 0.917 0.583 CB 1.224 25 residues pruned to eliminate duplicates Z: 39 56.287 2.443 1.111 0.547 0.947 0.632 CB 1.785 39 residues pruned to eliminate duplicates Z: 41 48.618 2.277 1.212 0.606 0.875 0.700 CB 1.577 78 residues pruned to eliminate duplicates Z: 21 37.097 2.158 1.005 0.806 0.950 0.800 CA 1.545 21 residues pruned to eliminate duplicates Z: 34 39.092 2.315 1.089 0.434 0.939 0.606 CB 1.603 34 residues pruned to eliminate duplicates Z: 69 56.292 2.422 0.833 0.426 0.956 0.529 CB 1.737 69 residues pruned to eliminate duplicates Z: 84 62.284 2.402 0.988 0.422 0.916 0.566 CB 1.695 84 residues pruned to eliminate duplicates Z: 7 17.810 2.175 0.606 0.823 1.000 0.667 CB 1.574 7 residues pruned to eliminate duplicates Z: 9 4.653 1.750 0.941 0.292 0.750 0.625 CB 0.815 9 residues pruned to eliminate duplicates Z: 36 34.089 2.129 1.083 0.490 0.886 0.571 CB 1.482 36 residues pruned to eliminate duplicates Z: 171 61.344 2.157 0.748 0.456 0.882 0.553 CB 1.479 171 residues pruned to eliminate duplicates Z: 9 20.490 2.160 0.472 0.792 1.000 0.875 CB 1.764 Z: 29 37.476 2.294 0.989 0.559 0.929 0.714 CB 1.579 29 residues pruned to eliminate duplicates Z: 37 49.851 2.350 1.016 0.654 0.889 0.778 CB 1.710 37 residues pruned to eliminate duplicates Z: 8 5.856 1.498 0.321 0.823 1.000 0.714 CB 0.845 8 residues pruned to eliminate duplicates Z: 33 48.827 2.345 1.233 0.646 0.969 0.688 CB 1.485 33 residues pruned to eliminate duplicates Z: 31 58.044 2.476 1.132 0.685 0.933 0.733 CB 1.815 31 residues pruned to eliminate duplicates Z: 7 5.993 1.950 -0.233 0.696 1.000 0.500 O 1.368 7 residues pruned to eliminate duplicates Z: 13 10.942 1.988 0.676 0.442 0.750 0.500 N 1.342 13 residues pruned to eliminate duplicates Z: 17 26.843 2.101 0.565 0.923 0.938 0.688 CB 1.530 17 residues pruned to eliminate duplicates Z: 26 26.203 2.267 1.030 0.333 0.880 0.600 CB 1.553 26 residues pruned to eliminate duplicates Z: 8 3.524 1.753 0.115 0.433 0.714 0.429 CB 1.023 Z: 13 15.692 1.797 0.603 0.918 1.000 0.833 CB 1.110 13 residues pruned to eliminate duplicates Z: 14 9.591 1.941 0.085 0.460 0.846 0.538 CB 1.555 25 residues pruned to eliminate duplicates Z: 15 45.666 2.282 1.303 0.903 1.000 0.643 CA 1.656 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 50.282 2.460 0.972 0.953 1.000 0.765 CA 1.730 18 residues pruned to eliminate duplicates Z: 36 54.712 2.399 1.000 0.687 0.943 0.743 CA 1.721 36 residues pruned to eliminate duplicates Z: 22 38.209 2.284 0.716 0.818 0.952 0.762 CB 1.695 22 residues pruned to eliminate duplicates Z: 18 52.329 2.494 0.928 0.939 1.000 0.765 CA 1.835 18 residues pruned to eliminate duplicates Z: 20 51.048 2.389 1.142 0.868 1.000 0.789 CA 1.673 20 residues pruned to eliminate duplicates Z: 28 38.836 2.248 1.003 0.699 0.889 0.667 CA 1.556 28 residues pruned to eliminate duplicates Z: 24 40.826 2.203 0.949 0.736 0.957 0.565 CA 1.677 24 residues pruned to eliminate duplicates Z: 24 37.885 2.109 1.079 0.805 0.913 0.609 CA 1.512 24 residues pruned to eliminate duplicates Z: 20 44.735 2.302 1.046 0.830 0.947 0.632 CA 1.730 20 residues pruned to eliminate duplicates Z: 25 33.429 2.146 0.961 0.714 0.875 0.625 CB 1.527 25 residues pruned to eliminate duplicates Z: 20 46.278 2.382 1.110 0.845 0.947 0.684 CB 1.657 20 residues pruned to eliminate duplicates Z: 24 35.226 2.221 1.034 0.706 0.913 0.478 CA 1.476 24 residues pruned to eliminate duplicates Z: 19 54.570 2.463 1.096 0.887 1.000 0.667 CA 1.795 19 residues pruned to eliminate duplicates Z: 37 49.653 2.319 0.952 0.647 0.972 0.667 CB 1.639 37 residues pruned to eliminate duplicates Z: 21 44.688 2.283 1.153 0.831 0.950 0.600 CB 1.607 21 residues pruned to eliminate duplicates Z: 20 50.310 2.325 1.167 0.832 1.000 0.526 CA 1.720 20 residues pruned to eliminate duplicates Z: 21 42.108 2.241 1.050 0.798 1.000 0.600 CA 1.579 21 residues pruned to eliminate duplicates Z: 36 51.794 2.349 1.022 0.685 0.971 0.629 CB 1.600 36 residues pruned to eliminate duplicates Z: 16 24.957 2.281 0.613 0.553 1.000 0.667 CB 1.664 16 residues pruned to eliminate duplicates Z: 41 47.652 2.307 0.832 0.644 0.950 0.600 CB 1.640 41 residues pruned to eliminate duplicates Z: 14 25.931 2.267 0.990 0.507 0.846 0.462 CA 1.870 14 residues pruned to eliminate duplicates Z: 15 22.174 2.300 1.020 0.449 0.857 0.571 CB 1.568 15 residues pruned to eliminate duplicates Z: 40 45.229 2.267 0.995 0.612 0.872 0.590 CB 1.652 40 residues pruned to eliminate duplicates Z: 15 33.329 2.265 1.312 0.595 0.929 0.500 CB 1.672 15 residues pruned to eliminate duplicates Z: 26 26.102 2.274 0.908 0.418 0.800 0.440 CB 1.638 26 residues pruned to eliminate duplicates Z: 35 61.014 2.426 1.202 0.686 0.971 0.618 CB 1.702 35 residues pruned to eliminate duplicates Z: 17 30.637 2.272 0.972 0.602 0.875 0.500 CA 1.774 17 residues pruned to eliminate duplicates Z: 40 62.405 2.407 1.071 0.702 0.949 0.615 CB 1.757 40 residues pruned to eliminate duplicates Z: 22 36.145 2.298 0.989 0.634 0.905 0.429 CB 1.681 22 residues pruned to eliminate duplicates Z: 22 23.533 1.938 0.652 0.560 0.905 0.524 CB 1.673 11 residues pruned to eliminate duplicates Z: 6 6.271 1.914 0.758 0.445 0.800 0.400 CB 1.102 6 residues pruned to eliminate duplicates Z: 10 19.978 2.037 0.672 0.666 1.000 0.556 CB 1.677 10 residues pruned to eliminate duplicates Z: 20 19.224 1.921 0.635 0.616 0.789 0.526 CB 1.594 19 residues pruned to eliminate duplicates Z: 6 5.943 1.793 0.606 0.388 1.000 0.800 CA 1.039 Z: 7 2.884 1.415 0.075 0.403 0.833 0.333 CA 1.029 7 residues pruned to eliminate duplicates Z: 27 24.509 2.031 0.789 0.569 0.808 0.654 CB 1.533 33 residues pruned to eliminate duplicates Z: 16 15.421 2.025 0.839 0.521 0.800 0.400 CB 1.308 Z: 6 6.153 1.567 0.915 0.285 1.000 0.200 C 1.168 7 residues pruned to eliminate duplicates Z: 6 3.386 1.735 0.456 0.242 0.800 0.600 CB 1.010 6 residues pruned to eliminate duplicates Z: 12 21.250 2.255 0.672 0.702 0.909 0.727 CA 1.555 16 residues pruned to eliminate duplicates Z: 9 5.413 1.709 0.886 0.222 0.625 0.250 CA 1.316 9 residues pruned to eliminate duplicates Z: 46 31.698 2.170 0.895 0.478 0.911 0.600 CB 1.290 46 residues pruned to eliminate duplicates Z: 114 72.347 2.359 0.928 0.578 0.903 0.504 CB 1.538 114 residues pruned to eliminate duplicates Z: 79 67.355 2.498 1.100 0.539 0.846 0.590 CB 1.653 79 residues pruned to eliminate duplicates Z: 86 73.511 2.457 1.080 0.598 0.859 0.588 CB 1.654 86 residues pruned to eliminate duplicates Z: 85 80.310 2.487 1.077 0.616 0.905 0.571 CB 1.680 85 residues pruned to eliminate duplicates Z: 52 62.642 2.532 1.059 0.602 0.902 0.627 CB 1.693 52 residues pruned to eliminate duplicates Z: 60 65.602 2.559 1.166 0.556 0.864 0.610 CB 1.688 60 residues pruned to eliminate duplicates Z: 98 78.161 2.398 1.021 0.566 0.938 0.567 CB 1.638 98 residues pruned to eliminate duplicates Z: 92 70.071 2.419 0.997 0.567 0.868 0.615 CB 1.641 92 residues pruned to eliminate duplicates Z: 100 74.924 2.386 0.998 0.557 0.909 0.596 CB 1.644 100 residues pruned to eliminate duplicates Z: 86 72.202 2.455 1.032 0.579 0.882 0.553 CB 1.649 86 residues pruned to eliminate duplicates Z: 89 72.500 2.412 1.085 0.568 0.875 0.591 CB 1.645 89 residues pruned to eliminate duplicates Z: 85 74.571 2.492 0.947 0.613 0.881 0.619 CB 1.710 85 residues pruned to eliminate duplicates Z: 52 69.194 2.554 1.148 0.605 0.902 0.608 CB 1.771 52 residues pruned to eliminate duplicates Z: 86 68.423 2.458 1.063 0.585 0.824 0.576 CB 1.639 86 residues pruned to eliminate duplicates Z: 100 72.423 2.352 0.994 0.555 0.909 0.636 CB 1.618 100 residues pruned to eliminate duplicates Z: 85 74.513 2.455 1.056 0.584 0.881 0.500 CB 1.687 85 residues pruned to eliminate duplicates Z: 46 55.944 2.479 1.028 0.596 0.911 0.622 CB 1.661 46 residues pruned to eliminate duplicates Z: 43 56.122 2.445 1.011 0.610 0.952 0.619 CB 1.667 43 residues pruned to eliminate duplicates Z: 87 75.063 2.484 1.019 0.594 0.872 0.674 CB 1.692 87 residues pruned to eliminate duplicates Z: 30 58.819 2.548 1.043 0.713 0.966 0.552 CB 1.791 30 residues pruned to eliminate duplicates Z: 38 59.458 2.444 1.393 0.628 0.946 0.703 CB 1.567 38 residues pruned to eliminate duplicates Z: 48 61.982 2.443 1.157 0.588 0.936 0.617 CB 1.684 48 residues pruned to eliminate duplicates Z: 38 61.091 2.533 1.042 0.651 0.973 0.730 CB 1.734 38 residues pruned to eliminate duplicates Z: 56 61.899 2.511 1.054 0.546 0.873 0.545 CB 1.772 56 residues pruned to eliminate duplicates Z: 87 73.838 2.475 1.009 0.562 0.884 0.605 CB 1.705 87 residues pruned to eliminate duplicates Z: 85 72.839 2.468 0.964 0.596 0.905 0.607 CB 1.652 85 residues pruned to eliminate duplicates Z: 50 63.724 2.469 1.110 0.607 0.939 0.694 CB 1.682 50 residues pruned to eliminate duplicates Z: 71 69.051 2.449 0.926 0.621 0.914 0.686 CB 1.707 71 residues pruned to eliminate duplicates Z: 81 73.510 2.446 1.019 0.591 0.913 0.625 CB 1.672 81 residues pruned to eliminate duplicates Z: 74 67.821 2.414 0.968 0.575 0.932 0.548 CB 1.668 74 residues pruned to eliminate duplicates Z: 67 79.330 2.588 1.228 0.565 0.939 0.636 CB 1.693 67 residues pruned to eliminate duplicates Z: 56 65.072 2.560 1.086 0.539 0.909 0.636 CB 1.739 56 residues pruned to eliminate duplicates Z: 84 80.412 2.505 1.120 0.606 0.892 0.639 CB 1.686 84 residues pruned to eliminate duplicates Z: 71 72.014 2.465 0.949 0.612 0.929 0.586 CB 1.736 71 residues pruned to eliminate duplicates Z: 70 64.162 2.477 0.890 0.617 0.855 0.623 CB 1.727 70 residues pruned to eliminate duplicates Z: 113 64.880 2.276 0.828 0.546 0.893 0.625 CB 1.577 113 residues pruned to eliminate duplicates Z: 108 72.056 2.360 0.950 0.550 0.925 0.636 CB 1.559 108 residues pruned to eliminate duplicates Z: 34 50.353 2.419 1.032 0.621 0.909 0.636 CB 1.750 34 residues pruned to eliminate duplicates Z: 73 70.677 2.435 0.982 0.601 0.931 0.639 CB 1.685 73 residues pruned to eliminate duplicates Z: 49 58.894 2.489 1.106 0.561 0.917 0.604 CB 1.667 49 residues pruned to eliminate duplicates Z: 56 44.023 2.276 0.949 0.533 0.873 0.618 CB 1.485 56 residues pruned to eliminate duplicates Z: 98 77.738 2.397 0.984 0.558 0.948 0.608 CB 1.654 98 residues pruned to eliminate duplicates Z: 103 73.499 2.370 0.984 0.573 0.912 0.588 CB 1.582 103 residues pruned to eliminate duplicates Z: 123 83.217 2.362 0.991 0.576 0.910 0.648 CB 1.636 124 residues pruned to eliminate duplicates Z: 7 20.998 2.229 1.266 0.697 1.000 0.667 CA 1.418 7 residues pruned to eliminate duplicates Z: 93 76.062 2.450 0.995 0.606 0.902 0.609 CB 1.626 93 residues pruned to eliminate duplicates Z: 71 70.952 2.472 0.958 0.614 0.914 0.557 CB 1.721 71 residues pruned to eliminate duplicates Z: 70 70.734 2.472 0.947 0.634 0.928 0.609 CB 1.681 70 residues pruned to eliminate duplicates Z: 86 69.214 2.364 0.876 0.578 0.976 0.624 CB 1.609 86 residues pruned to eliminate duplicates Z: 86 71.151 2.459 0.960 0.578 0.894 0.576 CB 1.661 86 residues pruned to eliminate duplicates Z: 84 76.467 2.462 1.010 0.616 0.928 0.639 CB 1.638 84 residues pruned to eliminate duplicates Z: 85 72.790 2.454 0.992 0.590 0.893 0.690 CB 1.669 85 residues pruned to eliminate duplicates Z: 76 64.675 2.396 0.933 0.579 0.907 0.573 CB 1.648 76 residues pruned to eliminate duplicates Z: 35 36.144 2.333 0.768 0.603 0.853 0.500 CB 1.597 35 residues pruned to eliminate duplicates Z: 33 43.122 2.416 0.779 0.621 0.938 0.531 CB 1.687 33 residues pruned to eliminate duplicates Z: 111 82.638 2.409 0.947 0.584 0.936 0.618 CB 1.656 111 residues pruned to eliminate duplicates Z: 84 74.914 2.492 1.028 0.609 0.892 0.651 CB 1.646 84 residues pruned to eliminate duplicates Z: 71 69.200 2.443 0.982 0.614 0.900 0.671 CB 1.704 71 residues pruned to eliminate duplicates Z: 35 38.177 2.324 0.858 0.567 0.882 0.471 CB 1.610 35 residues pruned to eliminate duplicates Z: 71 75.729 2.461 1.030 0.621 0.929 0.629 CB 1.741 71 residues pruned to eliminate duplicates Z: 15 32.720 2.514 1.246 0.456 0.929 0.429 CB 1.745 15 residues pruned to eliminate duplicates Z: 57 40.039 2.208 0.783 0.510 0.911 0.482 CB 1.478 57 residues pruned to eliminate duplicates Z: 46 25.681 2.083 0.612 0.491 0.844 0.400 CB 1.363 46 residues pruned to eliminate duplicates Z: 48 40.363 2.230 0.837 0.541 0.915 0.638 CB 1.509 48 residues pruned to eliminate duplicates Z: 86 84.981 2.489 1.180 0.593 0.929 0.647 CB 1.672 86 residues pruned to eliminate duplicates Z: 116 70.422 2.349 0.870 0.532 0.930 0.635 CB 1.556 116 residues pruned to eliminate duplicates Z: 92 69.310 2.405 0.923 0.564 0.923 0.670 CB 1.599 92 residues pruned to eliminate duplicates Z: 107 73.572 2.338 1.012 0.545 0.934 0.594 CB 1.557 107 residues pruned to eliminate duplicates Z: 33 43.695 2.326 0.799 0.652 0.969 0.625 CB 1.654 33 residues pruned to eliminate duplicates Z: 89 76.956 2.440 1.048 0.592 0.909 0.693 CB 1.654 89 residues pruned to eliminate duplicates Z: 110 78.792 2.360 0.975 0.592 0.936 0.661 CB 1.584 110 residues pruned to eliminate duplicates Z: 104 86.631 2.380 1.023 0.617 0.961 0.631 CB 1.651 104 residues pruned to eliminate duplicates Z: 34 44.236 2.362 0.863 0.608 0.939 0.667 CB 1.682 34 residues pruned to eliminate duplicates Z: 84 84.764 2.499 1.156 0.613 0.916 0.675 CB 1.694 84 residues pruned to eliminate duplicates Z: 78 40.762 2.088 0.699 0.498 0.909 0.584 CB 1.443 78 residues pruned to eliminate duplicates Z: 34 43.279 2.348 0.946 0.624 0.909 0.576 CB 1.613 34 residues pruned to eliminate duplicates Z: 108 79.060 2.387 1.033 0.576 0.935 0.636 CB 1.566 108 residues pruned to eliminate duplicates Z: 84 75.938 2.457 1.104 0.596 0.892 0.639 CB 1.651 84 residues pruned to eliminate duplicates Z: 59 43.951 2.185 0.845 0.480 0.931 0.534 CB 1.568 59 residues pruned to eliminate duplicates Z: 101 74.153 2.348 1.013 0.580 0.910 0.620 CB 1.597 101 residues pruned to eliminate duplicates Z: 34 40.192 2.339 0.824 0.589 0.879 0.545 CB 1.713 34 residues pruned to eliminate duplicates Z: 125 85.556 2.367 1.071 0.586 0.935 0.677 CB 1.542 125 residues pruned to eliminate duplicates Z: 70 70.010 2.458 0.957 0.621 0.913 0.725 CB 1.711 70 residues pruned to eliminate duplicates Z: 112 72.370 2.338 0.967 0.560 0.901 0.586 CB 1.565 112 residues pruned to eliminate duplicates Z: 118 85.104 2.373 1.030 0.583 0.932 0.581 CB 1.620 118 residues pruned to eliminate duplicates Z: 57 42.662 2.188 0.713 0.535 0.964 0.625 CB 1.523 57 residues pruned to eliminate duplicates Z: 63 42.814 2.149 0.750 0.448 0.968 0.532 CB 1.576 63 residues pruned to eliminate duplicates Z: 93 68.187 2.372 0.857 0.554 0.935 0.598 CB 1.638 93 residues pruned to eliminate duplicates Z: 87 63.639 2.340 0.864 0.570 0.907 0.593 CB 1.621 87 residues pruned to eliminate duplicates Z: 108 75.392 2.368 1.063 0.559 0.907 0.673 CB 1.554 108 residues pruned to eliminate duplicates Z: 93 65.919 2.332 0.881 0.548 0.913 0.652 CB 1.637 93 residues pruned to eliminate duplicates Z: 54 44.141 2.217 0.781 0.525 0.962 0.566 CB 1.556 54 residues pruned to eliminate duplicates Z: 98 74.148 2.362 1.012 0.560 0.959 0.711 CB 1.559 98 residues pruned to eliminate duplicates Z: 110 78.400 2.366 0.960 0.588 0.963 0.688 CB 1.545 110 residues pruned to eliminate duplicates Z: 108 77.714 2.390 1.032 0.562 0.916 0.626 CB 1.591 108 residues pruned to eliminate duplicates Z: 48 36.082 2.141 0.877 0.533 0.894 0.553 CB 1.419 48 residues pruned to eliminate duplicates Z: 10 11.061 2.146 0.763 0.584 0.778 0.444 CB 1.156 10 residues pruned to eliminate duplicates Z: 104 79.778 2.362 1.091 0.573 0.942 0.680 CB 1.576 104 residues pruned to eliminate duplicates Z: 40 46.894 2.360 1.019 0.621 0.897 0.564 CB 1.566 40 residues pruned to eliminate duplicates Z: 10 15.736 2.300 0.577 0.496 0.889 0.444 CB 1.633 10 residues pruned to eliminate duplicates Z: 126 85.580 2.401 0.976 0.572 0.920 0.592 CB 1.637 126 residues pruned to eliminate duplicates Z: 74 59.544 2.301 0.868 0.565 0.945 0.616 CB 1.610 74 residues pruned to eliminate duplicates Z: 16 21.574 2.226 0.918 0.380 0.867 0.400 CA 1.711 16 residues pruned to eliminate duplicates Z: 59 48.850 2.296 0.792 0.546 0.914 0.603 CB 1.632 59 residues pruned to eliminate duplicates Z: 45 42.151 2.215 0.937 0.520 0.955 0.500 CB 1.521 45 residues pruned to eliminate duplicates Z: 18 24.318 2.466 0.908 0.537 0.824 0.471 CB 1.468 18 residues pruned to eliminate duplicates Z: 29 46.505 2.401 1.107 0.613 0.893 0.607 CB 1.749 29 residues pruned to eliminate duplicates Z: 33 42.946 2.392 1.112 0.561 0.812 0.531 CB 1.743 33 residues pruned to eliminate duplicates Z: 20 29.041 2.308 1.126 0.452 0.842 0.474 CB 1.694 20 residues pruned to eliminate duplicates Z: 30 58.427 2.481 1.313 0.626 0.897 0.586 CB 1.872 30 residues pruned to eliminate duplicates Z: 29 53.333 2.369 1.229 0.675 0.929 0.643 CB 1.750 29 residues pruned to eliminate duplicates Z: 31 47.827 2.422 1.061 0.596 0.900 0.633 CB 1.773 31 residues pruned to eliminate duplicates Z: 22 39.412 2.281 1.107 0.771 0.952 0.667 CB 1.478 22 residues pruned to eliminate duplicates Z: 34 38.514 2.212 1.030 0.567 0.848 0.697 CB 1.650 34 residues pruned to eliminate duplicates Z: 33 54.408 2.408 1.244 0.661 0.875 0.562 CB 1.752 33 residues pruned to eliminate duplicates Z: 23 35.629 2.277 0.959 0.669 0.909 0.545 CB 1.603 23 residues pruned to eliminate duplicates Z: 30 52.698 2.510 1.146 0.671 0.897 0.621 CB 1.731 30 residues pruned to eliminate duplicates Z: 21 31.063 2.237 0.875 0.717 0.900 0.600 CB 1.512 21 residues pruned to eliminate duplicates Z: 32 50.214 2.432 1.106 0.627 0.903 0.613 CB 1.729 32 residues pruned to eliminate duplicates Z: 14 30.353 2.270 1.467 0.663 0.846 0.692 CB 1.528 14 residues pruned to eliminate duplicates Z: 21 43.205 2.319 1.197 0.761 0.950 0.750 CB 1.583 21 residues pruned to eliminate duplicates Z: 22 47.097 2.359 1.149 0.752 1.000 0.762 CB 1.620 22 residues pruned to eliminate duplicates Z: 10 19.675 2.129 0.618 0.736 1.000 0.778 CB 1.539 10 residues pruned to eliminate duplicates Z: 26 18.804 1.917 0.617 0.475 0.920 0.560 CB 1.353 26 residues pruned to eliminate duplicates Z: 13 18.817 2.011 0.717 0.677 0.917 0.583 CB 1.458 13 residues pruned to eliminate duplicates Z: 14 13.428 1.893 0.530 0.565 0.846 0.462 CB 1.428 14 residues pruned to eliminate duplicates Z: 37 50.397 2.391 1.017 0.690 0.944 0.556 CB 1.549 37 residues pruned to eliminate duplicates Z: 8 6.235 1.622 0.598 0.555 0.714 0.714 CB 1.206 Z: 7 9.561 1.962 0.828 0.502 0.833 0.500 CA 1.304 7 residues pruned to eliminate duplicates Z: 38 25.645 1.931 0.628 0.541 0.946 0.649 CB 1.362 38 residues pruned to eliminate duplicates Z: 32 22.205 1.999 0.479 0.525 0.903 0.742 CB 1.457 32 residues pruned to eliminate duplicates Z: 27 25.832 2.098 0.585 0.586 0.923 0.808 CB 1.520 27 residues pruned to eliminate duplicates Z: 18 24.222 2.111 0.878 0.422 0.941 0.647 CB 1.707 18 residues pruned to eliminate duplicates Z: 20 25.175 2.067 0.886 0.486 0.947 0.789 CB 1.586 20 residues pruned to eliminate duplicates Z: 29 26.147 2.056 0.632 0.584 0.964 0.821 CB 1.409 29 residues pruned to eliminate duplicates Z: 41 23.544 1.884 0.683 0.529 0.900 0.700 CB 1.268 41 residues pruned to eliminate duplicates Z: 37 24.417 1.921 0.621 0.510 0.944 0.722 CB 1.370 37 residues pruned to eliminate duplicates Z: 131 61.836 2.219 0.816 0.451 0.923 0.623 CB 1.533 131 residues pruned to eliminate duplicates Z: 31 26.794 1.991 0.755 0.566 0.933 0.700 CB 1.406 31 residues pruned to eliminate duplicates Z: 31 28.902 2.014 0.785 0.576 0.967 0.767 CB 1.411 31 residues pruned to eliminate duplicates Z: 163 76.186 2.232 0.888 0.489 0.938 0.605 CB 1.531 163 residues pruned to eliminate duplicates Z: 39 22.879 1.863 0.649 0.543 0.895 0.632 CB 1.295 39 residues pruned to eliminate duplicates Z: 57 56.489 2.287 0.998 0.585 0.929 0.696 CB 1.641 57 residues pruned to eliminate duplicates Z: 37 26.176 1.929 0.682 0.562 0.917 0.667 CB 1.381 37 residues pruned to eliminate duplicates Z: 29 29.353 2.063 0.787 0.584 0.964 0.714 CB 1.439 29 residues pruned to eliminate duplicates Z: 21 16.760 1.848 0.661 0.564 0.900 0.650 CB 1.275 21 residues pruned to eliminate duplicates Z: 117 63.141 2.214 0.865 0.472 0.931 0.638 CB 1.568 117 residues pruned to eliminate duplicates Z: 41 26.283 1.891 0.698 0.548 0.925 0.625 CB 1.335 41 residues pruned to eliminate duplicates Z: 34 26.202 1.972 0.752 0.534 0.939 0.667 CB 1.359 34 residues pruned to eliminate duplicates Z: 31 26.421 2.049 0.590 0.559 0.933 0.800 CB 1.498 31 residues pruned to eliminate duplicates Z: 31 27.826 2.003 0.897 0.555 0.933 0.667 CB 1.359 31 residues pruned to eliminate duplicates Z: 39 23.843 1.917 0.621 0.530 0.895 0.579 CB 1.350 39 residues pruned to eliminate duplicates Z: 37 29.039 1.948 0.805 0.521 0.944 0.583 CB 1.427 37 residues pruned to eliminate duplicates Z: 10 5.179 1.500 0.560 0.257 0.889 0.333 CB 1.096 10 residues pruned to eliminate duplicates Z: 6 4.014 1.533 0.363 0.336 0.800 0.400 CB 1.284 6 residues pruned to eliminate duplicates Z: 91 48.957 2.255 0.744 0.389 0.911 0.511 CB 1.620 91 residues pruned to eliminate duplicates Z: 16 6.844 1.430 0.559 0.427 0.800 0.400 CB 1.069 16 residues pruned to eliminate duplicates Z: 105 51.772 2.165 0.732 0.491 0.904 0.596 CB 1.512 105 residues pruned to eliminate duplicates Z: 86 57.766 2.295 0.864 0.434 0.953 0.576 CB 1.646 86 residues pruned to eliminate duplicates Z: 129 71.394 2.301 0.946 0.450 0.922 0.547 CB 1.608 129 residues pruned to eliminate duplicates Z: 114 59.528 2.225 0.815 0.464 0.920 0.558 CB 1.563 114 residues pruned to eliminate duplicates Z: 89 52.015 2.253 0.871 0.425 0.898 0.568 CB 1.584 89 residues pruned to eliminate duplicates Z: 124 70.647 2.318 0.978 0.443 0.902 0.585 CB 1.632 124 residues pruned to eliminate duplicates Z: 17 17.083 2.013 0.645 0.580 0.875 0.625 CB 1.366 17 residues pruned to eliminate duplicates Z: 78 51.873 2.338 0.866 0.423 0.896 0.584 CB 1.639 78 residues pruned to eliminate duplicates Z: 114 58.580 2.207 0.907 0.442 0.894 0.584 CB 1.556 114 residues pruned to eliminate duplicates Z: 67 43.193 2.184 0.780 0.440 0.955 0.515 CB 1.524 67 residues pruned to eliminate duplicates Z: 161 73.894 2.228 0.943 0.455 0.906 0.575 CB 1.559 161 residues pruned to eliminate duplicates Z: 116 66.436 2.350 0.945 0.399 0.887 0.513 CB 1.701 116 residues pruned to eliminate duplicates Z: 78 54.915 2.355 0.886 0.435 0.883 0.584 CB 1.706 78 residues pruned to eliminate duplicates Z: 130 63.887 2.230 0.991 0.412 0.899 0.535 CB 1.546 130 residues pruned to eliminate duplicates Z: 78 53.764 2.332 0.844 0.424 0.909 0.584 CB 1.696 78 residues pruned to eliminate duplicates Z: 71 55.767 2.392 0.841 0.430 0.957 0.571 CB 1.700 71 residues pruned to eliminate duplicates Z: 71 52.979 2.383 0.799 0.427 0.929 0.557 CB 1.716 71 residues pruned to eliminate duplicates Z: 52 47.626 2.282 0.787 0.485 1.000 0.529 CB 1.660 52 residues pruned to eliminate duplicates Z: 54 42.506 2.195 0.793 0.511 0.943 0.547 CB 1.556 54 residues pruned to eliminate duplicates Z: 73 59.380 2.431 0.900 0.436 0.944 0.653 CB 1.714 73 residues pruned to eliminate duplicates Z: 70 58.803 2.416 0.866 0.432 0.971 0.609 CB 1.736 70 residues pruned to eliminate duplicates Z: 76 55.108 2.350 0.816 0.436 0.933 0.573 CB 1.707 76 residues pruned to eliminate duplicates Z: 83 57.875 2.294 0.872 0.439 0.951 0.634 CB 1.665 83 residues pruned to eliminate duplicates Z: 85 53.400 2.302 0.792 0.428 0.929 0.512 CB 1.640 85 residues pruned to eliminate duplicates Z: 61 44.291 2.284 0.707 0.481 0.917 0.550 CB 1.630 61 residues pruned to eliminate duplicates Z: 76 56.896 2.381 0.878 0.438 0.907 0.560 CB 1.727 76 residues pruned to eliminate duplicates Z: 106 57.568 2.301 0.815 0.404 0.924 0.533 CB 1.611 106 residues pruned to eliminate duplicates Z: 71 57.949 2.398 0.910 0.439 0.914 0.586 CB 1.762 71 residues pruned to eliminate duplicates Z: 98 66.271 2.376 0.919 0.445 0.938 0.588 CB 1.665 98 residues pruned to eliminate duplicates Z: 75 62.064 2.404 0.995 0.444 0.919 0.568 CB 1.734 75 residues pruned to eliminate duplicates Z: 78 60.168 2.369 0.919 0.443 0.948 0.610 CB 1.688 78 residues pruned to eliminate duplicates Z: 70 55.965 2.421 0.844 0.429 0.942 0.696 CB 1.725 70 residues pruned to eliminate duplicates Z: 68 51.794 2.332 0.841 0.435 0.940 0.597 CB 1.677 68 residues pruned to eliminate duplicates Z: 86 56.278 2.288 0.878 0.421 0.929 0.565 CB 1.661 86 residues pruned to eliminate duplicates Z: 122 60.974 2.242 0.812 0.460 0.909 0.587 CB 1.564 122 residues pruned to eliminate duplicates Z: 78 59.762 2.376 0.901 0.437 0.948 0.623 CB 1.698 78 residues pruned to eliminate duplicates Z: 64 47.093 2.408 1.004 0.327 0.905 0.524 CB 1.643 64 residues pruned to eliminate duplicates Z: 103 64.728 2.393 0.878 0.416 0.922 0.569 CB 1.689 103 residues pruned to eliminate duplicates Z: 87 56.288 2.263 0.918 0.424 0.930 0.605 CB 1.627 87 residues pruned to eliminate duplicates Z: 77 59.339 2.377 0.934 0.434 0.921 0.618 CB 1.721 77 residues pruned to eliminate duplicates Z: 79 61.471 2.388 0.875 0.441 0.962 0.667 CB 1.718 79 residues pruned to eliminate duplicates Z: 119 60.960 2.201 0.872 0.443 0.932 0.619 CB 1.549 119 residues pruned to eliminate duplicates Z: 47 39.219 2.456 0.967 0.305 0.848 0.543 CB 1.754 47 residues pruned to eliminate duplicates Z: 76 61.136 2.389 0.943 0.446 0.920 0.560 CB 1.748 76 residues pruned to eliminate duplicates Z: 76 55.198 2.356 0.855 0.427 0.933 0.560 CB 1.686 76 residues pruned to eliminate duplicates Z: 71 61.343 2.416 0.951 0.429 0.943 0.586 CB 1.775 71 residues pruned to eliminate duplicates Z: 78 54.690 2.353 0.834 0.442 0.896 0.597 CB 1.711 78 residues pruned to eliminate duplicates Z: 64 46.026 2.376 0.988 0.354 0.889 0.587 CB 1.616 64 residues pruned to eliminate duplicates Z: 107 67.879 2.405 0.985 0.406 0.896 0.538 CB 1.700 107 residues pruned to eliminate duplicates Z: 79 61.367 2.411 0.916 0.426 0.949 0.564 CB 1.713 79 residues pruned to eliminate duplicates Z: 122 73.854 2.347 0.978 0.444 0.926 0.570 CB 1.655 122 residues pruned to eliminate duplicates Z: 78 57.735 2.359 0.950 0.446 0.909 0.571 CB 1.662 78 residues pruned to eliminate duplicates Z: 79 57.371 2.396 0.848 0.436 0.936 0.564 CB 1.674 79 residues pruned to eliminate duplicates Z: 78 56.018 2.385 0.862 0.430 0.909 0.545 CB 1.702 78 residues pruned to eliminate duplicates Z: 84 59.435 2.364 0.953 0.440 0.904 0.590 CB 1.664 84 residues pruned to eliminate duplicates Z: 70 61.101 2.415 0.953 0.453 0.942 0.536 CB 1.737 70 residues pruned to eliminate duplicates Z: 122 64.369 2.277 0.932 0.448 0.884 0.579 CB 1.586 122 residues pruned to eliminate duplicates Z: 83 57.888 2.359 0.927 0.424 0.902 0.610 CB 1.686 83 residues pruned to eliminate duplicates Z: 77 59.354 2.409 0.968 0.433 0.908 0.645 CB 1.694 77 residues pruned to eliminate duplicates Z: 65 51.316 2.421 1.038 0.311 0.922 0.609 CB 1.740 65 residues pruned to eliminate duplicates Z: 78 56.492 2.349 0.875 0.436 0.922 0.636 CB 1.694 78 residues pruned to eliminate duplicates Z: 78 57.351 2.374 0.932 0.423 0.883 0.558 CB 1.749 78 residues pruned to eliminate duplicates Z: 108 71.958 2.399 1.039 0.427 0.888 0.561 CB 1.729 108 residues pruned to eliminate duplicates Z: 69 55.356 2.394 1.117 0.407 0.912 0.603 CB 1.602 69 residues pruned to eliminate duplicates Z: 105 67.306 2.389 0.918 0.415 0.923 0.567 CB 1.705 105 residues pruned to eliminate duplicates Z: 78 61.789 2.415 1.010 0.421 0.922 0.597 CB 1.707 78 residues pruned to eliminate duplicates Z: 82 54.940 2.313 0.898 0.426 0.926 0.568 CB 1.622 82 residues pruned to eliminate duplicates Z: 75 56.354 2.373 0.836 0.440 0.905 0.622 CB 1.767 75 residues pruned to eliminate duplicates Z: 79 58.983 2.407 0.929 0.417 0.910 0.603 CB 1.723 79 residues pruned to eliminate duplicates Z: 123 67.240 2.298 0.917 0.439 0.893 0.607 CB 1.647 123 residues pruned to eliminate duplicates Z: 70 60.196 2.399 0.923 0.440 0.971 0.565 CB 1.720 70 residues pruned to eliminate duplicates Z: 85 61.557 2.363 1.009 0.414 0.917 0.643 CB 1.688 85 residues pruned to eliminate duplicates Z: 29 25.370 2.349 1.077 0.275 0.821 0.607 CB 1.544 29 residues pruned to eliminate duplicates Z: 33 41.969 2.447 1.039 0.367 0.938 0.719 CB 1.828 33 residues pruned to eliminate duplicates Z: 25 27.550 2.593 0.963 0.287 0.833 0.583 CB 1.685 25 residues pruned to eliminate duplicates Z: 93 56.133 2.297 0.921 0.408 0.891 0.587 CB 1.640 93 residues pruned to eliminate duplicates Z: 21 28.701 2.276 1.042 0.315 0.900 0.500 CB 1.882 21 residues pruned to eliminate duplicates Z: 29 25.797 2.426 0.951 0.252 0.786 0.679 CB 1.743 29 residues pruned to eliminate duplicates Z: 66 43.256 2.331 1.011 0.372 0.862 0.631 CB 1.522 66 residues pruned to eliminate duplicates Z: 31 30.605 2.391 0.954 0.245 0.900 0.600 CB 1.784 31 residues pruned to eliminate duplicates Z: 116 66.195 2.339 0.913 0.432 0.913 0.539 CB 1.621 116 residues pruned to eliminate duplicates Z: 61 44.334 2.216 1.093 0.441 0.867 0.583 CB 1.513 61 residues pruned to eliminate duplicates Z: 53 39.666 2.382 0.980 0.285 0.885 0.481 CB 1.680 53 residues pruned to eliminate duplicates Z: 117 74.128 2.359 0.994 0.452 0.931 0.603 CB 1.652 117 residues pruned to eliminate duplicates Z: 57 48.466 2.288 1.030 0.455 0.911 0.554 CB 1.603 57 residues pruned to eliminate duplicates Z: 79 48.575 2.345 0.772 0.383 0.910 0.513 CB 1.648 79 residues pruned to eliminate duplicates Z: 143 65.068 2.214 0.947 0.425 0.901 0.549 CB 1.520 143 residues pruned to eliminate duplicates Z: 122 70.224 2.344 0.944 0.441 0.926 0.545 CB 1.607 122 residues pruned to eliminate duplicates Z: 41 37.140 2.254 1.040 0.506 0.875 0.500 CB 1.450 41 residues pruned to eliminate duplicates Z: 45 39.959 2.238 1.134 0.483 0.886 0.591 CB 1.448 45 residues pruned to eliminate duplicates Z: 116 65.414 2.328 0.879 0.442 0.913 0.539 CB 1.621 116 residues pruned to eliminate duplicates Z: 40 37.774 2.278 0.972 0.517 0.872 0.564 CB 1.518 40 residues pruned to eliminate duplicates Z: 31 26.610 2.239 1.026 0.370 0.833 0.567 CB 1.478 31 residues pruned to eliminate duplicates Z: 42 36.166 2.196 1.023 0.496 0.878 0.561 CB 1.454 42 residues pruned to eliminate duplicates Z: 57 47.158 2.319 1.068 0.442 0.857 0.625 CB 1.628 57 residues pruned to eliminate duplicates Z: 48 45.959 2.416 1.127 0.409 0.872 0.574 CB 1.645 48 residues pruned to eliminate duplicates Z: 23 31.085 2.433 1.083 0.439 0.818 0.545 CB 1.702 23 residues pruned to eliminate duplicates Z: 44 37.777 2.242 1.026 0.459 0.907 0.512 CB 1.457 44 residues pruned to eliminate duplicates Z: 44 39.710 2.271 0.973 0.502 0.860 0.605 CB 1.568 44 residues pruned to eliminate duplicates Z: 41 36.774 2.242 0.958 0.491 0.900 0.550 CB 1.485 41 residues pruned to eliminate duplicates Z: 117 68.040 2.310 1.000 0.445 0.897 0.578 CB 1.613 117 residues pruned to eliminate duplicates Z: 42 43.115 2.234 1.133 0.496 0.951 0.585 CB 1.491 42 residues pruned to eliminate duplicates Z: 24 31.565 2.364 0.981 0.428 0.913 0.522 CB 1.658 24 residues pruned to eliminate duplicates Z: 124 69.226 2.314 0.989 0.443 0.886 0.593 CB 1.622 124 residues pruned to eliminate duplicates Z: 41 41.701 2.245 1.146 0.511 0.925 0.600 CB 1.464 41 residues pruned to eliminate duplicates Z: 41 41.159 2.219 1.088 0.514 0.925 0.500 CB 1.498 41 residues pruned to eliminate duplicates Z: 53 33.346 2.060 0.940 0.446 0.885 0.577 CB 1.384 53 residues pruned to eliminate duplicates Z: 114 64.856 2.353 0.943 0.431 0.876 0.611 CB 1.636 114 residues pruned to eliminate duplicates Z: 41 40.902 2.244 1.114 0.511 0.900 0.525 CB 1.498 41 residues pruned to eliminate duplicates Z: 56 39.417 2.239 0.871 0.407 0.891 0.564 CB 1.570 56 residues pruned to eliminate duplicates Z: 58 30.213 2.000 0.823 0.444 0.842 0.596 CB 1.381 58 residues pruned to eliminate duplicates Z: 41 39.395 2.231 1.043 0.489 0.925 0.600 CB 1.494 41 residues pruned to eliminate duplicates Z: 52 34.770 2.097 1.062 0.450 0.902 0.569 CB 1.315 52 residues pruned to eliminate duplicates Z: 50 35.929 2.130 1.095 0.466 0.898 0.551 CB 1.325 50 residues pruned to eliminate duplicates Z: 40 44.298 2.275 1.268 0.504 0.897 0.564 CB 1.525 40 residues pruned to eliminate duplicates Z: 40 40.799 2.272 1.060 0.512 0.923 0.564 CB 1.494 40 residues pruned to eliminate duplicates Z: 44 34.429 2.167 0.968 0.459 0.930 0.535 CB 1.381 44 residues pruned to eliminate duplicates Z: 44 41.481 2.281 1.143 0.477 0.953 0.674 CB 1.388 44 residues pruned to eliminate duplicates Z: 41 42.312 2.245 1.063 0.525 0.925 0.650 CB 1.524 41 residues pruned to eliminate duplicates Z: 65 51.465 2.389 1.038 0.415 0.906 0.656 CB 1.593 65 residues pruned to eliminate duplicates Z: 41 38.436 2.216 1.011 0.495 0.900 0.550 CB 1.522 41 residues pruned to eliminate duplicates Z: 45 37.870 2.183 1.082 0.471 0.932 0.614 CB 1.388 45 residues pruned to eliminate duplicates Z: 53 35.066 2.068 1.004 0.447 0.923 0.596 CB 1.343 53 residues pruned to eliminate duplicates Z: 45 33.427 2.152 0.940 0.486 0.864 0.568 CB 1.418 45 residues pruned to eliminate duplicates Z: 47 38.365 2.128 1.140 0.469 0.913 0.587 CB 1.403 47 residues pruned to eliminate duplicates Z: 79 47.606 2.252 1.060 0.383 0.885 0.628 CB 1.487 79 residues pruned to eliminate duplicates Z: 52 36.212 2.095 1.007 0.456 0.922 0.647 CB 1.368 52 residues pruned to eliminate duplicates Z: 43 39.047 2.188 1.094 0.477 0.929 0.595 CB 1.450 43 residues pruned to eliminate duplicates Z: 52 34.243 2.093 0.967 0.440 0.902 0.608 CB 1.373 52 residues pruned to eliminate duplicates Z: 83 49.833 2.116 0.885 0.517 0.951 0.671 CB 1.426 83 residues pruned to eliminate duplicates Z: 134 63.668 2.257 0.867 0.433 0.902 0.624 CB 1.556 134 residues pruned to eliminate duplicates Z: 7 5.401 1.616 0.872 0.376 0.833 0.500 CB 0.998 7 residues pruned to eliminate duplicates Z: 53 36.046 2.097 0.938 0.453 0.942 0.615 CB 1.370 53 residues pruned to eliminate duplicates Z: 212 77.044 2.185 0.853 0.450 0.915 0.611 CB 1.507 212 residues pruned to eliminate duplicates Z: 68 43.841 2.148 1.002 0.425 0.955 0.642 CB 1.409 68 residues pruned to eliminate duplicates Z: 133 65.718 2.278 0.883 0.441 0.917 0.644 CB 1.546 133 residues pruned to eliminate duplicates Z: 10 12.145 1.654 0.761 0.534 1.000 0.667 CB 1.344 18 residues pruned to eliminate duplicates Z: 15 10.888 1.728 0.659 0.453 0.929 0.429 CB 1.147 21 residues pruned to eliminate duplicates Z: 15 10.877 1.688 0.579 0.452 0.929 0.500 CB 1.234 6 residues pruned to eliminate duplicates Z: 6 2.720 1.023 0.872 0.372 1.000 0.400 N 0.729 6 residues pruned to eliminate duplicates Z: 27 8.522 1.534 0.560 0.404 0.808 0.423 CB 0.957 27 residues pruned to eliminate duplicates Z: 6 6.459 1.568 0.966 0.485 0.800 0.600 CB 1.190 6 residues pruned to eliminate duplicates Z: 15 9.130 1.702 0.728 0.516 0.857 0.571 CB 0.952 15 residues pruned to eliminate duplicates Z: 20 8.296 1.627 0.504 0.406 0.789 0.684 CB 1.087 20 residues pruned to eliminate duplicates Z: 10 3.342 1.471 0.314 0.163 0.889 0.333 N 0.978 10 residues pruned to eliminate duplicates Z: 6 5.335 1.626 0.256 0.591 0.800 0.800 N 1.338 6 residues pruned to eliminate duplicates Z: 43 33.871 2.137 0.700 0.477 0.905 0.619 CB 1.628 63 residues pruned to eliminate duplicates Z: 11 17.495 2.030 0.626 0.750 0.900 0.500 CA 1.490 11 residues pruned to eliminate duplicates Z: 38 34.468 2.212 0.765 0.450 0.946 0.541 CB 1.615 38 residues pruned to eliminate duplicates Z: 40 33.345 2.168 0.814 0.458 0.923 0.462 CB 1.535 40 residues pruned to eliminate duplicates Z: 12 24.628 2.280 0.806 0.555 1.000 0.636 CA 1.709 12 residues pruned to eliminate duplicates Z: 57 28.869 1.998 0.647 0.412 0.893 0.446 CB 1.440 57 residues pruned to eliminate duplicates Z: 44 28.647 2.133 0.618 0.449 0.837 0.442 CB 1.592 40 residues pruned to eliminate duplicates Z: 7 4.139 1.708 0.247 0.306 0.833 0.167 CA 1.181 7 residues pruned to eliminate duplicates Z: 38 32.987 2.163 0.742 0.497 0.919 0.459 CB 1.572 38 residues pruned to eliminate duplicates Z: 37 31.724 2.165 0.727 0.481 0.889 0.417 CB 1.622 37 residues pruned to eliminate duplicates Z: 53 31.621 2.050 0.751 0.418 0.885 0.462 CB 1.504 51 residues pruned to eliminate duplicates Z: 7 9.010 1.732 0.551 0.577 1.000 0.667 N 1.272 7 residues pruned to eliminate duplicates Z: 33 34.162 2.261 0.826 0.478 0.906 0.500 CB 1.650 33 residues pruned to eliminate duplicates Z: 38 31.522 2.157 0.818 0.450 0.892 0.486 CB 1.561 38 residues pruned to eliminate duplicates Z: 44 34.621 2.103 0.744 0.471 0.953 0.488 CB 1.555 44 residues pruned to eliminate duplicates Z: 37 32.310 2.188 0.751 0.485 0.889 0.472 CB 1.605 37 residues pruned to eliminate duplicates Z: 46 34.438 2.125 0.823 0.462 0.889 0.533 CB 1.549 46 residues pruned to eliminate duplicates Z: 32 37.736 2.287 0.809 0.476 1.000 0.419 CA 1.679 32 residues pruned to eliminate duplicates Z: 32 35.536 2.308 0.797 0.491 0.935 0.516 CB 1.660 32 residues pruned to eliminate duplicates Z: 42 27.647 2.098 0.682 0.419 0.878 0.561 CB 1.516 42 residues pruned to eliminate duplicates Z: 44 31.802 2.140 0.659 0.463 0.907 0.512 CB 1.564 44 residues pruned to eliminate duplicates Z: 41 34.621 2.142 0.781 0.470 0.950 0.600 CB 1.557 41 residues pruned to eliminate duplicates Z: 53 29.459 1.974 0.657 0.399 0.923 0.481 CB 1.505 53 residues pruned to eliminate duplicates Z: 37 35.011 2.196 0.852 0.463 0.944 0.611 CB 1.577 37 residues pruned to eliminate duplicates Z: 33 24.976 2.020 0.749 0.399 0.938 0.469 CB 1.482 33 residues pruned to eliminate duplicates Z: 6 2.204 1.397 0.245 0.235 1.000 0.400 CA 0.771 6 residues pruned to eliminate duplicates Z: 41 28.314 2.119 0.722 0.427 0.850 0.550 CB 1.557 41 residues pruned to eliminate duplicates Z: 37 33.146 2.182 0.792 0.474 0.917 0.500 CB 1.583 37 residues pruned to eliminate duplicates Z: 37 31.620 2.193 0.713 0.478 0.889 0.500 CB 1.614 37 residues pruned to eliminate duplicates Z: 41 33.929 2.152 0.850 0.446 0.925 0.550 CB 1.539 41 residues pruned to eliminate duplicates Z: 41 35.299 2.147 0.859 0.463 0.925 0.500 CB 1.571 41 residues pruned to eliminate duplicates Z: 40 33.798 2.168 0.916 0.470 0.872 0.538 CB 1.541 40 residues pruned to eliminate duplicates Z: 56 34.577 2.011 0.760 0.455 0.945 0.582 CB 1.458 56 residues pruned to eliminate duplicates Z: 63 29.194 1.980 0.679 0.435 0.855 0.500 CB 1.396 63 residues pruned to eliminate duplicates Z: 41 30.379 2.112 0.864 0.429 0.875 0.475 CB 1.501 41 residues pruned to eliminate duplicates Z: 46 34.102 2.113 0.758 0.477 0.889 0.622 CB 1.576 46 residues pruned to eliminate duplicates Z: 41 34.121 2.169 0.912 0.488 0.850 0.575 CB 1.550 41 residues pruned to eliminate duplicates Z: 37 33.676 2.184 0.845 0.461 0.889 0.583 CB 1.630 37 residues pruned to eliminate duplicates 413 residues left after pruning, divided into chains as follows: A: 26 B: 5 C: 382 CC for partial structure against native data = 42.03 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.596, Connect. = 0.751 for dens.mod. cycle 1 = 0.300, Contrast = 0.691, Connect. = 0.780 for dens.mod. cycle 2 = 0.300, Contrast = 0.825, Connect. = 0.803 for dens.mod. cycle 3 = 0.300, Contrast = 0.847, Connect. = 0.807 for dens.mod. cycle 4 = 0.300, Contrast = 0.866, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.875, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.883, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.887, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.890, Connect. = 0.813 for dens.mod. cycle 9 = 0.300, Contrast = 0.891, Connect. = 0.814 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2551 peaks > 0.5 sigma used to seed fragment search Space for about 666 unique residues taking solvent into account 546 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 76 60.923 2.390 0.852 0.463 0.947 0.680 CB 1.743 B: 22 40.648 2.320 1.171 0.726 0.905 0.667 CB 1.588 C: 20 51.555 2.307 1.107 0.948 1.000 0.632 CB 1.680 D: 73 58.529 2.412 0.913 0.417 0.931 0.583 CB 1.751 70 residues pruned to eliminate duplicates E: 19 33.407 2.277 1.145 0.663 0.833 0.667 CB 1.664 F: 89 74.647 2.461 1.080 0.606 0.875 0.500 CB 1.606 G: 21 50.292 2.329 1.155 0.916 1.000 0.800 CB 1.582 21 residues pruned to eliminate duplicates H: 27 59.747 2.505 1.307 0.705 0.923 0.731 CB 1.823 29 residues pruned to eliminate duplicates I: 75 54.380 2.415 0.807 0.436 0.892 0.581 CB 1.734 76 residues pruned to eliminate duplicates J: 6 8.860 2.188 0.490 0.811 0.800 0.600 CA 1.159 6 residues pruned to eliminate duplicates K: 18 59.451 2.442 1.302 0.944 1.000 0.471 CB 1.777 20 residues pruned to eliminate duplicates L: 39 37.809 2.275 0.834 0.557 0.895 0.605 CB 1.554 38 residues pruned to eliminate duplicates M: 19 43.993 2.349 0.831 0.939 0.944 0.778 CA 1.774 19 residues pruned to eliminate duplicates N: 9 19.675 2.132 0.514 0.786 1.000 0.750 CA 1.675 O: 12 19.676 2.082 1.213 0.693 1.000 0.727 CB 1.080 9 residues pruned to eliminate duplicates P: 19 57.510 2.455 1.122 0.940 1.000 0.889 CB 1.807 19 residues pruned to eliminate duplicates Q: 20 59.667 2.459 1.382 0.935 0.947 0.895 CB 1.719 20 residues pruned to eliminate duplicates R: 81 45.895 2.224 0.727 0.421 0.913 0.500 CB 1.591 66 residues pruned to eliminate duplicates S: 20 45.477 2.297 0.899 0.942 1.000 0.684 CA 1.659 19 residues pruned to eliminate duplicates T: 16 27.813 2.532 1.769 0.538 0.800 0.600 CB 1.233 16 residues pruned to eliminate duplicates U: 22 49.028 2.516 1.287 0.666 0.905 0.714 CB 1.762 22 residues pruned to eliminate duplicates V: 79 63.870 2.315 0.906 0.598 0.936 0.641 CB 1.595 71 residues pruned to eliminate duplicates W: 19 57.394 2.503 1.426 0.949 0.944 0.667 CB 1.628 19 residues pruned to eliminate duplicates X: 21 58.188 2.356 1.278 0.930 1.000 0.800 CB 1.695 21 residues pruned to eliminate duplicates Y: 33 42.774 2.360 1.158 0.463 0.906 0.531 CB 1.702 Z: 43 37.532 2.210 1.041 0.508 0.881 0.643 CB 1.445 43 residues pruned to eliminate duplicates Z: 18 49.604 2.508 0.896 0.950 0.941 0.765 CB 1.854 18 residues pruned to eliminate duplicates Z: 20 36.427 2.299 1.171 0.548 0.895 0.632 CB 1.786 20 residues pruned to eliminate duplicates Z: 43 42.037 2.223 1.018 0.543 0.881 0.500 CB 1.574 43 residues pruned to eliminate duplicates Z: 8 19.054 2.051 1.346 0.644 0.857 0.571 C 1.527 8 residues pruned to eliminate duplicates Z: 11 18.551 2.083 0.997 0.676 0.900 0.700 CB 1.333 12 residues pruned to eliminate duplicates Z: 31 53.383 2.463 1.038 0.665 0.933 0.667 CB 1.785 31 residues pruned to eliminate duplicates Z: 21 46.562 2.317 0.947 0.932 1.000 1.000 CA 1.611 21 residues pruned to eliminate duplicates Z: 19 55.097 2.471 1.010 0.944 1.000 0.889 CB 1.810 19 residues pruned to eliminate duplicates Z: 21 51.735 2.337 1.106 0.928 1.000 0.800 CB 1.646 21 residues pruned to eliminate duplicates Z: 95 68.957 2.367 0.932 0.578 0.862 0.574 CB 1.675 92 residues pruned to eliminate duplicates Z: 6 11.958 2.149 0.492 0.605 1.000 0.600 CA 1.509 Z: 10 14.832 2.014 0.410 0.758 1.000 0.778 CA 1.383 10 residues pruned to eliminate duplicates Z: 21 52.777 2.335 1.286 0.927 0.950 0.850 CB 1.630 21 residues pruned to eliminate duplicates Z: 11 28.973 2.238 1.387 0.611 1.000 0.800 CB 1.544 11 residues pruned to eliminate duplicates Z: 7 11.938 2.010 0.600 0.407 1.000 0.667 N 1.671 Z: 20 56.881 2.325 1.263 0.932 1.000 0.526 CA 1.732 20 residues pruned to eliminate duplicates Z: 10 8.392 2.454 1.407 0.363 0.667 0.556 CB 0.823 10 residues pruned to eliminate duplicates Z: 37 46.221 2.251 1.191 0.592 0.889 0.472 CB 1.610 37 residues pruned to eliminate duplicates Z: 23 34.909 2.110 0.975 0.655 1.000 0.500 CB 1.546 Z: 21 49.643 2.319 1.221 0.917 1.000 0.850 CB 1.521 21 residues pruned to eliminate duplicates Z: 18 53.599 2.496 1.111 0.923 0.941 0.412 CB 1.842 18 residues pruned to eliminate duplicates Z: 16 32.843 2.368 0.525 0.827 1.000 0.733 CA 1.770 16 residues pruned to eliminate duplicates Z: 6 14.465 2.558 0.649 0.487 0.800 0.600 CA 1.942 6 residues pruned to eliminate duplicates Z: 41 43.593 2.271 1.183 0.505 0.900 0.400 CB 1.538 33 residues pruned to eliminate duplicates Z: 10 19.782 2.062 0.805 0.823 0.889 0.667 CA 1.507 10 residues pruned to eliminate duplicates Z: 85 73.064 2.459 0.982 0.610 0.881 0.607 CB 1.672 85 residues pruned to eliminate duplicates Z: 19 61.650 2.468 1.225 0.954 1.000 0.611 CA 1.819 19 residues pruned to eliminate duplicates Z: 18 22.938 2.043 0.978 0.570 0.824 0.529 CB 1.563 18 residues pruned to eliminate duplicates Z: 41 52.206 2.249 1.070 0.691 0.925 0.450 CB 1.610 43 residues pruned to eliminate duplicates Z: 32 53.456 2.403 1.178 0.642 0.968 0.645 CB 1.660 31 residues pruned to eliminate duplicates Z: 9 18.515 2.350 1.024 0.381 0.750 0.750 CB 2.084 9 residues pruned to eliminate duplicates Z: 16 29.838 2.356 0.423 0.815 1.000 0.600 CA 1.747 16 residues pruned to eliminate duplicates Z: 38 50.000 2.423 1.051 0.645 0.892 0.541 CB 1.619 38 residues pruned to eliminate duplicates Z: 19 54.983 2.405 1.230 0.948 1.000 0.722 CA 1.670 19 residues pruned to eliminate duplicates Z: 19 54.763 2.369 1.135 0.938 1.000 0.889 CB 1.775 19 residues pruned to eliminate duplicates Z: 16 30.205 2.330 0.526 0.806 1.000 0.600 CA 1.679 16 residues pruned to eliminate duplicates Z: 19 42.637 2.435 0.638 0.950 1.000 0.722 CA 1.737 19 residues pruned to eliminate duplicates Z: 17 25.264 2.135 0.310 0.873 1.000 0.750 CB 1.645 17 residues pruned to eliminate duplicates Z: 17 31.162 2.260 0.575 0.792 1.000 0.625 CA 1.693 17 residues pruned to eliminate duplicates Z: 19 25.739 2.215 0.483 0.764 0.889 0.667 CA 1.644 19 residues pruned to eliminate duplicates Z: 10 15.622 2.140 0.661 0.583 0.778 0.556 CB 1.739 15 residues pruned to eliminate duplicates Z: 18 24.496 2.507 0.731 0.285 0.941 0.706 CB 1.854 18 residues pruned to eliminate duplicates Z: 14 24.555 2.242 0.250 0.884 1.000 0.846 CA 1.756 14 residues pruned to eliminate duplicates Z: 17 29.367 2.286 0.410 0.818 1.000 0.812 CA 1.729 17 residues pruned to eliminate duplicates Z: 18 29.919 2.278 0.423 0.773 1.000 0.647 CA 1.758 18 residues pruned to eliminate duplicates Z: 82 78.701 2.495 0.973 0.621 0.914 0.691 CB 1.734 82 residues pruned to eliminate duplicates Z: 17 18.628 1.882 0.782 0.589 0.875 0.688 CB 1.458 16 residues pruned to eliminate duplicates Z: 30 26.295 2.049 0.625 0.613 0.966 0.724 CB 1.364 6 residues pruned to eliminate duplicates Z: 21 53.092 2.315 1.336 0.921 0.950 0.700 CB 1.627 21 residues pruned to eliminate duplicates Z: 20 56.308 2.450 1.164 0.926 1.000 0.842 CB 1.709 20 residues pruned to eliminate duplicates Z: 75 51.349 2.342 0.774 0.440 0.919 0.554 CB 1.663 89 residues pruned to eliminate duplicates Z: 16 27.713 2.355 0.366 0.787 1.000 0.600 CA 1.728 16 residues pruned to eliminate duplicates Z: 60 42.192 2.156 0.815 0.552 0.898 0.610 CB 1.485 60 residues pruned to eliminate duplicates Z: 14 18.954 2.226 0.814 0.627 0.846 0.538 CB 1.365 14 residues pruned to eliminate duplicates Z: 31 43.845 2.399 0.805 0.661 0.867 0.600 CB 1.837 31 residues pruned to eliminate duplicates Z: 9 18.820 2.221 0.413 0.897 1.000 0.875 CB 1.518 9 residues pruned to eliminate duplicates Z: 15 25.843 2.328 1.167 0.526 0.857 0.786 CB 1.557 15 residues pruned to eliminate duplicates Z: 9 20.953 2.158 0.992 0.714 0.875 0.625 CB 1.622 10 residues pruned to eliminate duplicates Z: 31 48.937 2.291 1.270 0.682 0.933 0.367 CB 1.557 31 residues pruned to eliminate duplicates Z: 10 25.303 2.169 0.990 0.766 1.000 0.889 CA 1.543 Z: 8 26.492 2.278 1.188 0.780 0.857 0.857 CB 1.831 8 residues pruned to eliminate duplicates Z: 16 26.904 2.312 0.359 0.817 1.000 0.800 CA 1.679 16 residues pruned to eliminate duplicates Z: 32 47.895 2.375 1.030 0.654 0.935 0.774 CB 1.653 32 residues pruned to eliminate duplicates Z: 78 61.123 2.381 0.908 0.442 0.961 0.610 CB 1.694 78 residues pruned to eliminate duplicates Z: 12 15.693 1.953 0.495 0.762 1.000 0.818 CB 1.284 12 residues pruned to eliminate duplicates Z: 47 36.704 2.151 0.848 0.553 0.891 0.543 CB 1.451 47 residues pruned to eliminate duplicates Z: 17 21.611 2.145 0.303 0.860 0.875 0.625 CB 1.623 17 residues pruned to eliminate duplicates Z: 12 18.921 2.033 0.811 0.661 0.818 0.636 CB 1.632 12 residues pruned to eliminate duplicates Z: 6 17.953 2.358 1.093 0.766 1.000 1.000 CA 1.285 6 residues pruned to eliminate duplicates Z: 23 39.184 2.303 1.129 0.695 0.909 0.636 CB 1.568 23 residues pruned to eliminate duplicates Z: 10 19.925 1.939 1.057 0.650 0.889 0.667 C 1.629 10 residues pruned to eliminate duplicates Z: 7 7.659 1.910 1.119 0.421 0.667 0.500 CB 1.258 7 residues pruned to eliminate duplicates Z: 10 13.961 2.080 0.671 0.684 0.778 0.667 CB 1.453 10 residues pruned to eliminate duplicates Z: 10 14.831 2.092 0.510 0.743 0.889 0.667 CA 1.417 10 residues pruned to eliminate duplicates Z: 66 74.583 2.594 1.162 0.558 0.908 0.615 CB 1.716 66 residues pruned to eliminate duplicates Z: 57 45.540 2.250 1.031 0.436 0.929 0.536 CB 1.533 62 residues pruned to eliminate duplicates Z: 113 64.329 2.290 1.047 0.393 0.929 0.554 CB 1.564 102 residues pruned to eliminate duplicates Z: 52 39.034 2.110 1.061 0.457 0.941 0.608 CB 1.396 51 residues pruned to eliminate duplicates Z: 28 39.448 2.384 1.104 0.566 0.815 0.556 CB 1.742 28 residues pruned to eliminate duplicates Z: 17 27.023 2.010 0.602 0.934 1.000 0.812 CB 1.463 17 residues pruned to eliminate duplicates Z: 10 17.515 1.973 0.906 0.668 0.778 0.556 C 1.709 10 residues pruned to eliminate duplicates Z: 20 16.292 2.354 0.804 0.260 0.684 0.526 CB 1.693 20 residues pruned to eliminate duplicates Z: 20 52.172 2.394 1.109 0.910 1.000 0.895 CB 1.682 20 residues pruned to eliminate duplicates Z: 18 25.820 2.068 0.405 0.873 1.000 0.765 CB 1.570 18 residues pruned to eliminate duplicates Z: 34 39.249 2.289 0.717 0.618 0.939 0.636 CB 1.657 34 residues pruned to eliminate duplicates Z: 20 34.976 2.296 0.448 0.934 1.000 0.842 CA 1.683 20 residues pruned to eliminate duplicates Z: 19 38.310 2.307 0.772 0.924 0.944 0.667 CA 1.643 19 residues pruned to eliminate duplicates Z: 17 26.234 2.121 0.412 0.897 0.938 0.750 CB 1.673 17 residues pruned to eliminate duplicates Z: 8 19.721 2.115 0.656 0.833 1.000 0.857 CB 1.597 8 residues pruned to eliminate duplicates Z: 8 21.438 2.205 0.927 0.678 0.857 0.714 CA 1.889 8 residues pruned to eliminate duplicates Z: 7 13.940 2.306 0.254 0.701 1.000 0.833 CA 1.639 7 residues pruned to eliminate duplicates Z: 42 35.917 2.128 0.816 0.494 0.951 0.561 CB 1.535 10 residues pruned to eliminate duplicates Z: 131 65.644 2.303 0.869 0.428 0.900 0.600 CB 1.602 131 residues pruned to eliminate duplicates Z: 16 26.649 2.131 0.469 0.914 0.933 0.667 CB 1.666 16 residues pruned to eliminate duplicates Z: 6 11.336 1.899 0.539 0.617 1.000 0.800 O 1.553 6 residues pruned to eliminate duplicates Z: 17 26.509 2.275 0.344 0.785 1.000 0.625 CB 1.687 17 residues pruned to eliminate duplicates Z: 37 20.308 1.913 0.383 0.497 0.917 0.611 CB 1.400 29 residues pruned to eliminate duplicates Z: 47 33.576 2.090 0.715 0.465 0.913 0.565 CB 1.568 42 residues pruned to eliminate duplicates Z: 15 29.013 2.307 0.492 0.845 1.000 0.714 CA 1.675 15 residues pruned to eliminate duplicates Z: 12 15.928 1.885 0.662 0.737 0.909 0.455 CA 1.363 12 residues pruned to eliminate duplicates Z: 104 66.456 2.341 0.902 0.523 0.913 0.612 CB 1.576 104 residues pruned to eliminate duplicates Z: 17 27.045 2.256 0.553 0.800 0.938 0.688 CB 1.584 17 residues pruned to eliminate duplicates Z: 42 42.337 2.203 1.071 0.511 0.927 0.585 CB 1.546 42 residues pruned to eliminate duplicates Z: 6 15.027 2.330 0.541 0.718 1.000 0.800 CA 1.537 6 residues pruned to eliminate duplicates Z: 125 69.015 2.309 0.825 0.549 0.903 0.629 CB 1.553 163 residues pruned to eliminate duplicates Z: 20 55.867 2.457 1.121 0.926 1.000 0.842 CB 1.725 20 residues pruned to eliminate duplicates Z: 20 59.639 2.380 1.423 0.952 1.000 0.895 CB 1.634 20 residues pruned to eliminate duplicates Z: 14 32.482 2.183 0.992 0.791 0.923 0.846 CB 1.738 14 residues pruned to eliminate duplicates Z: 118 73.375 2.338 0.965 0.450 0.949 0.598 CB 1.638 118 residues pruned to eliminate duplicates Z: 10 26.784 2.083 1.184 0.893 1.000 0.778 CB 1.409 10 residues pruned to eliminate duplicates Z: 8 11.142 2.068 0.403 0.787 0.857 0.714 CA 1.316 8 residues pruned to eliminate duplicates Z: 12 19.745 1.956 0.728 0.777 1.000 0.818 CA 1.379 12 residues pruned to eliminate duplicates Z: 19 52.851 2.453 1.247 0.906 1.000 0.833 CB 1.607 19 residues pruned to eliminate duplicates Z: 43 42.777 2.238 1.094 0.499 0.929 0.524 CB 1.519 43 residues pruned to eliminate duplicates Z: 9 16.571 2.005 0.650 0.807 1.000 0.875 CB 1.355 9 residues pruned to eliminate duplicates Z: 9 13.574 2.208 1.405 0.388 0.625 0.375 CA 1.628 9 residues pruned to eliminate duplicates Z: 58 68.821 2.397 1.255 0.635 0.895 0.579 CB 1.661 58 residues pruned to eliminate duplicates Z: 25 57.536 2.591 1.289 0.630 0.917 0.542 CB 1.912 25 residues pruned to eliminate duplicates Z: 13 18.043 2.074 0.264 0.920 0.917 0.667 CB 1.527 13 residues pruned to eliminate duplicates Z: 12 18.966 1.925 0.748 0.736 1.000 0.545 CB 1.375 12 residues pruned to eliminate duplicates Z: 14 25.493 2.322 0.481 0.789 0.923 0.769 CB 1.728 14 residues pruned to eliminate duplicates Z: 18 25.803 1.999 0.404 0.906 1.000 0.824 CA 1.586 18 residues pruned to eliminate duplicates Z: 17 20.731 2.061 0.370 0.851 0.875 0.812 CB 1.553 17 residues pruned to eliminate duplicates Z: 10 21.421 2.062 0.887 0.804 1.000 0.556 CB 1.407 10 residues pruned to eliminate duplicates Z: 93 44.921 2.099 0.690 0.509 0.913 0.533 CB 1.433 54 residues pruned to eliminate duplicates Z: 64 41.577 2.261 0.576 0.479 0.921 0.667 CB 1.630 64 residues pruned to eliminate duplicates Z: 9 13.976 2.037 0.842 0.670 0.750 0.750 CB 1.500 9 residues pruned to eliminate duplicates Z: 6 3.102 1.678 0.481 0.467 0.600 0.400 CA 0.962 6 residues pruned to eliminate duplicates Z: 76 43.549 2.174 0.646 0.517 0.893 0.613 CB 1.547 76 residues pruned to eliminate duplicates Z: 9 25.679 2.233 0.730 0.896 1.000 1.000 CA 1.685 9 residues pruned to eliminate duplicates Z: 9 29.685 2.294 0.934 0.879 1.000 0.625 CB 1.716 9 residues pruned to eliminate duplicates Z: 8 10.923 2.031 0.643 0.737 0.714 0.571 CA 1.400 8 residues pruned to eliminate duplicates Z: 26 44.131 2.488 1.129 0.506 0.880 0.480 CA 1.882 26 residues pruned to eliminate duplicates Z: 7 8.219 1.638 0.430 0.670 1.000 0.500 O 1.225 7 residues pruned to eliminate duplicates Z: 21 50.641 2.304 1.234 0.901 1.000 0.650 CB 1.571 21 residues pruned to eliminate duplicates Z: 41 30.707 2.135 0.790 0.476 0.850 0.550 CB 1.531 41 residues pruned to eliminate duplicates Z: 85 76.582 2.477 0.926 0.597 0.917 0.643 CB 1.742 85 residues pruned to eliminate duplicates Z: 13 11.455 1.890 0.104 0.526 1.000 0.583 CB 1.544 Z: 8 30.257 2.314 1.012 0.885 1.000 1.000 CB 1.774 8 residues pruned to eliminate duplicates Z: 19 24.538 2.192 0.973 0.507 0.889 0.444 CB 1.495 19 residues pruned to eliminate duplicates Z: 85 67.671 2.431 0.933 0.607 0.881 0.655 CB 1.611 85 residues pruned to eliminate duplicates Z: 8 22.397 2.118 0.716 0.893 1.000 0.857 CB 1.673 8 residues pruned to eliminate duplicates Z: 15 12.247 1.804 0.734 0.584 0.929 0.571 CB 1.039 15 residues pruned to eliminate duplicates Z: 20 54.742 2.288 1.251 0.947 1.000 0.368 CA 1.685 20 residues pruned to eliminate duplicates Z: 85 77.691 2.509 1.007 0.619 0.893 0.595 CB 1.685 85 residues pruned to eliminate duplicates Z: 7 2.538 1.731 -0.321 0.486 0.667 0.667 C 1.341 Z: 38 33.890 2.194 0.797 0.456 0.892 0.541 CB 1.657 38 residues pruned to eliminate duplicates Z: 38 31.834 2.154 0.743 0.468 0.892 0.486 CB 1.615 38 residues pruned to eliminate duplicates Z: 19 22.074 2.441 0.851 0.349 0.833 0.611 CB 1.628 19 residues pruned to eliminate duplicates Z: 31 55.267 2.349 1.107 0.749 0.967 0.700 CA 1.688 31 residues pruned to eliminate duplicates Z: 10 14.073 2.162 0.516 0.565 1.000 0.889 CB 1.344 10 residues pruned to eliminate duplicates Z: 10 9.614 1.903 -0.015 0.601 0.889 0.333 O 1.748 6 residues pruned to eliminate duplicates Z: 15 28.884 2.102 0.555 0.928 1.000 0.571 CB 1.654 15 residues pruned to eliminate duplicates Z: 19 41.485 2.362 0.942 0.925 0.944 0.667 CB 1.584 19 residues pruned to eliminate duplicates Z: 66 76.654 2.573 1.138 0.570 0.938 0.646 CB 1.721 66 residues pruned to eliminate duplicates Z: 68 48.840 2.312 0.780 0.440 0.910 0.537 CB 1.693 68 residues pruned to eliminate duplicates Z: 58 54.003 2.346 1.056 0.570 0.877 0.632 CB 1.580 58 residues pruned to eliminate duplicates Z: 7 10.170 1.852 0.697 0.855 1.000 0.667 CA 0.975 7 residues pruned to eliminate duplicates Z: 7 13.627 2.224 0.112 0.863 1.000 1.000 CB 1.650 7 residues pruned to eliminate duplicates Z: 13 14.452 1.978 0.411 0.642 0.833 0.583 CB 1.570 13 residues pruned to eliminate duplicates Z: 8 3.896 2.010 0.108 0.537 0.714 0.571 CB 0.892 Z: 15 28.385 2.336 0.837 0.674 0.929 0.571 CB 1.621 15 residues pruned to eliminate duplicates Z: 9 32.077 2.291 1.173 0.872 1.000 0.875 CB 1.661 9 residues pruned to eliminate duplicates Z: 66 70.082 2.521 1.058 0.577 0.954 0.738 CB 1.632 66 residues pruned to eliminate duplicates Z: 15 25.982 2.117 0.488 0.937 1.000 0.714 CB 1.535 15 residues pruned to eliminate duplicates Z: 83 75.525 2.466 0.950 0.616 0.915 0.610 CB 1.700 83 residues pruned to eliminate duplicates Z: 8 9.364 1.883 0.527 0.598 0.857 0.857 CB 1.308 9 residues pruned to eliminate duplicates Z: 6 9.126 2.311 -0.283 0.844 1.000 0.600 CB 1.832 8 residues pruned to eliminate duplicates Z: 66 63.975 2.474 1.152 0.535 0.892 0.615 CB 1.613 66 residues pruned to eliminate duplicates Z: 99 71.779 2.407 0.899 0.564 0.929 0.704 CB 1.605 99 residues pruned to eliminate duplicates Z: 38 56.470 2.350 1.322 0.687 0.919 0.649 CB 1.560 39 residues pruned to eliminate duplicates Z: 10 7.611 1.992 -0.103 0.622 0.778 0.444 O 1.627 10 residues pruned to eliminate duplicates Z: 127 88.331 2.435 1.015 0.579 0.905 0.635 CB 1.644 127 residues pruned to eliminate duplicates Z: 50 39.129 2.193 0.717 0.538 0.939 0.612 CB 1.523 50 residues pruned to eliminate duplicates Z: 16 19.678 2.209 0.837 0.583 0.867 0.600 CB 1.333 16 residues pruned to eliminate duplicates Z: 20 35.480 2.317 0.598 0.897 0.947 0.895 CA 1.661 20 residues pruned to eliminate duplicates Z: 18 24.014 2.160 0.646 0.501 1.000 0.824 CB 1.637 16 residues pruned to eliminate duplicates Z: 17 15.340 1.882 1.028 0.475 0.750 0.562 CB 1.374 17 residues pruned to eliminate duplicates Z: 41 34.233 2.157 0.797 0.474 0.900 0.575 CB 1.593 41 residues pruned to eliminate duplicates Z: 64 37.688 2.120 0.696 0.452 0.905 0.508 CB 1.534 64 residues pruned to eliminate duplicates Z: 7 20.121 2.131 1.429 0.832 1.000 0.833 N 1.192 Z: 27 25.456 2.517 0.834 0.283 0.846 0.577 CB 1.632 27 residues pruned to eliminate duplicates Z: 36 31.791 2.218 0.665 0.485 0.886 0.514 CB 1.668 37 residues pruned to eliminate duplicates Z: 28 28.837 2.195 0.731 0.469 0.926 0.444 CB 1.628 28 residues pruned to eliminate duplicates Z: 8 8.884 1.687 0.777 0.897 1.000 1.000 CB 0.802 8 residues pruned to eliminate duplicates Z: 8 6.055 1.878 -0.122 0.477 1.000 0.571 N 1.421 8 residues pruned to eliminate duplicates Z: 16 26.557 2.180 0.358 0.922 1.000 0.800 CB 1.628 16 residues pruned to eliminate duplicates Z: 48 32.381 2.102 0.721 0.417 0.936 0.532 CB 1.520 49 residues pruned to eliminate duplicates Z: 11 18.369 1.997 0.540 0.786 1.000 0.600 CA 1.468 11 residues pruned to eliminate duplicates Z: 8 10.707 1.765 1.013 0.547 0.857 0.571 CB 1.269 8 residues pruned to eliminate duplicates Z: 18 27.106 2.008 0.660 0.926 0.941 0.706 CB 1.469 18 residues pruned to eliminate duplicates Z: 12 15.616 1.849 0.413 0.937 1.000 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 11 19.978 2.259 0.828 0.392 0.900 0.800 CA 1.906 11 residues pruned to eliminate duplicates Z: 19 40.381 2.336 0.785 0.935 0.944 0.667 CA 1.684 19 residues pruned to eliminate duplicates Z: 86 76.124 2.453 1.003 0.611 0.882 0.588 CB 1.714 86 residues pruned to eliminate duplicates Z: 14 16.090 1.814 0.504 0.869 1.000 0.846 CB 1.196 14 residues pruned to eliminate duplicates Z: 34 29.046 2.315 0.469 0.587 0.848 0.667 CB 1.612 34 residues pruned to eliminate duplicates Z: 13 8.426 1.727 0.073 0.475 0.917 0.583 N 1.468 13 residues pruned to eliminate duplicates Z: 6 13.204 2.138 1.063 0.577 0.800 0.600 CB 1.554 6 residues pruned to eliminate duplicates Z: 36 50.619 2.309 1.133 0.643 0.971 0.514 CB 1.564 36 residues pruned to eliminate duplicates Z: 16 30.561 2.191 0.616 0.913 1.000 0.600 CB 1.577 16 residues pruned to eliminate duplicates Z: 17 25.381 2.084 0.579 0.873 0.938 0.625 CB 1.498 17 residues pruned to eliminate duplicates Z: 41 48.150 2.486 1.338 0.327 0.925 0.650 CB 1.711 41 residues pruned to eliminate duplicates Z: 18 27.297 2.106 0.418 0.880 1.000 0.529 CB 1.606 18 residues pruned to eliminate duplicates Z: 8 17.060 2.149 0.680 0.873 0.857 0.857 CB 1.518 8 residues pruned to eliminate duplicates Z: 14 14.574 1.795 0.442 0.853 1.000 0.769 CB 1.155 14 residues pruned to eliminate duplicates Z: 58 67.753 2.380 1.206 0.654 0.877 0.596 CB 1.688 58 residues pruned to eliminate duplicates Z: 22 26.434 2.248 0.812 0.460 0.905 0.381 CA 1.631 22 residues pruned to eliminate duplicates Z: 15 15.009 1.777 0.516 0.861 0.929 0.786 CB 1.178 15 residues pruned to eliminate duplicates Z: 41 62.043 2.300 1.209 0.695 0.950 0.575 CB 1.701 42 residues pruned to eliminate duplicates Z: 44 36.160 2.296 1.007 0.405 0.884 0.558 CB 1.496 44 residues pruned to eliminate duplicates Z: 36 50.422 2.264 1.075 0.691 0.971 0.714 CB 1.568 36 residues pruned to eliminate duplicates Z: 103 52.467 2.207 0.718 0.465 0.931 0.618 CB 1.524 103 residues pruned to eliminate duplicates Z: 83 54.838 2.310 0.831 0.459 0.915 0.622 CB 1.632 83 residues pruned to eliminate duplicates Z: 12 5.900 1.744 0.731 0.494 0.727 0.455 CB 0.815 12 residues pruned to eliminate duplicates Z: 23 34.612 2.378 1.140 0.481 0.955 0.500 CB 1.549 23 residues pruned to eliminate duplicates Z: 126 82.973 2.375 0.922 0.602 0.928 0.648 CB 1.590 126 residues pruned to eliminate duplicates Z: 11 15.403 1.863 0.829 0.692 0.800 0.600 CB 1.499 11 residues pruned to eliminate duplicates Z: 7 6.479 1.809 1.242 0.594 0.667 0.667 N 0.895 Z: 10 15.921 2.139 0.365 0.829 0.889 0.667 CA 1.538 10 residues pruned to eliminate duplicates Z: 16 10.997 1.921 0.714 0.318 0.800 0.533 CB 1.318 16 residues pruned to eliminate duplicates Z: 40 32.352 2.206 0.549 0.516 0.949 0.641 CB 1.573 40 residues pruned to eliminate duplicates Z: 21 15.857 2.034 0.558 0.548 0.800 0.500 CB 1.334 21 residues pruned to eliminate duplicates Z: 7 7.672 1.691 0.731 0.551 1.000 0.500 CB 1.018 7 residues pruned to eliminate duplicates Z: 55 36.864 2.149 0.952 0.453 0.889 0.593 CB 1.412 55 residues pruned to eliminate duplicates Z: 18 42.397 2.398 0.993 0.875 0.941 0.882 CB 1.662 18 residues pruned to eliminate duplicates Z: 15 24.779 2.227 0.774 0.519 1.000 0.857 CB 1.644 15 residues pruned to eliminate duplicates Z: 84 60.460 2.369 0.869 0.432 0.940 0.651 CB 1.710 84 residues pruned to eliminate duplicates Z: 12 4.203 1.621 0.290 0.285 0.636 0.273 CB 1.212 Z: 45 43.423 2.472 1.081 0.351 0.909 0.523 CB 1.645 45 residues pruned to eliminate duplicates Z: 41 39.169 2.242 0.918 0.515 0.925 0.650 CB 1.534 41 residues pruned to eliminate duplicates Z: 20 28.378 2.009 0.975 0.659 0.842 0.632 CA 1.682 19 residues pruned to eliminate duplicates Z: 9 8.155 1.593 0.733 0.359 1.000 0.500 CB 1.217 9 residues pruned to eliminate duplicates Z: 11 18.357 2.077 0.690 0.531 1.000 0.700 CA 1.605 11 residues pruned to eliminate duplicates Z: 15 22.874 2.284 1.235 0.374 0.786 0.571 CB 1.744 15 residues pruned to eliminate duplicates Z: 108 56.184 2.211 0.781 0.465 0.916 0.617 CB 1.560 108 residues pruned to eliminate duplicates Z: 6 5.330 1.871 0.430 0.531 0.800 0.200 CB 1.080 Z: 52 44.071 2.406 1.061 0.290 0.922 0.490 CB 1.710 52 residues pruned to eliminate duplicates Z: 13 9.716 1.664 0.521 0.447 0.833 0.500 CA 1.404 12 residues pruned to eliminate duplicates Z: 13 4.102 1.673 -0.018 0.418 0.750 0.583 CB 1.047 Z: 17 31.486 2.140 0.676 0.887 1.000 0.438 CB 1.583 17 residues pruned to eliminate duplicates Z: 9 11.223 1.703 0.534 0.893 1.000 1.000 CB 1.090 9 residues pruned to eliminate duplicates Z: 11 23.523 2.257 0.969 0.591 0.900 0.500 CB 1.706 11 residues pruned to eliminate duplicates Z: 9 7.070 2.001 -0.244 0.637 0.875 0.500 O 1.660 9 residues pruned to eliminate duplicates Z: 7 7.204 1.944 -0.062 0.647 1.000 0.500 CB 1.406 6 residues pruned to eliminate duplicates Z: 68 72.959 2.529 1.053 0.557 0.955 0.657 CB 1.701 68 residues pruned to eliminate duplicates Z: 19 60.990 2.500 1.441 0.950 1.000 0.833 CB 1.625 19 residues pruned to eliminate duplicates Z: 18 23.706 2.244 1.088 0.289 0.882 0.647 CB 1.764 18 residues pruned to eliminate duplicates Z: 10 17.970 1.985 0.769 0.832 1.000 0.778 CB 1.281 10 residues pruned to eliminate duplicates Z: 20 19.952 2.240 0.831 0.459 0.789 0.421 CB 1.474 20 residues pruned to eliminate duplicates Z: 14 16.072 1.800 0.594 0.861 1.000 0.846 CB 1.142 14 residues pruned to eliminate duplicates Z: 20 52.762 2.389 1.337 0.906 0.947 0.895 CB 1.628 20 residues pruned to eliminate duplicates Z: 45 28.269 2.097 0.662 0.429 0.864 0.523 CB 1.525 45 residues pruned to eliminate duplicates Z: 26 44.804 2.444 0.987 0.607 0.920 0.640 CB 1.811 26 residues pruned to eliminate duplicates Z: 17 21.905 2.189 0.607 0.558 1.000 0.625 CB 1.471 17 residues pruned to eliminate duplicates Z: 56 28.278 2.001 0.547 0.430 0.909 0.491 CB 1.458 56 residues pruned to eliminate duplicates Z: 16 12.991 2.042 -0.127 0.633 0.933 0.467 N 1.778 8 residues pruned to eliminate duplicates Z: 38 34.145 2.222 0.843 0.476 0.865 0.514 CB 1.622 38 residues pruned to eliminate duplicates Z: 11 4.863 1.570 0.042 0.727 0.700 0.200 CB 1.094 11 residues pruned to eliminate duplicates Z: 10 7.296 1.583 0.307 0.875 1.000 0.778 CB 0.855 10 residues pruned to eliminate duplicates Z: 38 30.434 2.192 0.607 0.506 0.892 0.486 CB 1.583 38 residues pruned to eliminate duplicates Z: 6 7.565 1.646 0.580 0.776 1.000 0.600 CA 1.019 6 residues pruned to eliminate duplicates Z: 17 32.363 2.316 1.127 0.576 1.000 0.688 CB 1.526 17 residues pruned to eliminate duplicates Z: 47 39.486 2.245 1.081 0.447 0.891 0.543 CB 1.477 47 residues pruned to eliminate duplicates Z: 59 29.426 1.970 0.676 0.404 0.879 0.603 CB 1.472 58 residues pruned to eliminate duplicates Z: 18 27.205 2.189 0.483 0.823 0.941 0.706 CB 1.632 18 residues pruned to eliminate duplicates Z: 8 11.752 1.923 0.182 0.790 1.000 0.714 CA 1.515 8 residues pruned to eliminate duplicates Z: 7 4.082 1.649 0.937 0.452 0.500 0.333 CB 1.097 Z: 14 15.707 1.794 0.688 0.869 0.923 0.846 CB 1.138 14 residues pruned to eliminate duplicates Z: 41 26.136 2.054 0.614 0.412 0.875 0.500 CB 1.561 41 residues pruned to eliminate duplicates Z: 75 56.303 2.318 0.895 0.546 0.905 0.473 CB 1.573 75 residues pruned to eliminate duplicates Z: 9 12.815 2.500 1.033 0.327 0.750 0.500 CB 1.438 9 residues pruned to eliminate duplicates Z: 42 29.318 2.137 0.653 0.473 0.854 0.585 CB 1.561 42 residues pruned to eliminate duplicates Z: 8 7.264 1.677 0.867 0.392 0.857 0.571 CA 1.147 8 residues pruned to eliminate duplicates Z: 20 21.642 1.974 0.852 0.637 0.895 0.684 CB 1.335 20 residues pruned to eliminate duplicates Z: 7 3.850 1.432 0.583 0.669 1.000 0.667 CB 0.593 Z: 92 51.104 2.253 0.857 0.407 0.890 0.582 CB 1.585 92 residues pruned to eliminate duplicates Z: 48 57.050 2.486 1.129 0.626 0.872 0.660 CB 1.600 48 residues pruned to eliminate duplicates Z: 12 17.175 2.018 0.708 0.611 1.000 0.545 CA 1.352 12 residues pruned to eliminate duplicates Z: 85 76.160 2.487 1.022 0.596 0.893 0.607 CB 1.688 85 residues pruned to eliminate duplicates Z: 13 7.068 1.674 0.505 0.405 0.833 0.750 CB 1.074 5 residues pruned to eliminate duplicates Z: 38 45.486 2.224 1.003 0.648 0.946 0.541 CB 1.545 38 residues pruned to eliminate duplicates Z: 36 34.240 2.168 0.743 0.489 0.971 0.457 CB 1.593 36 residues pruned to eliminate duplicates Z: 8 5.285 1.831 -0.158 0.662 0.857 0.714 CB 1.301 Z: 9 2.889 1.432 0.524 0.230 0.750 0.500 CB 0.855 Z: 70 70.265 2.443 1.017 0.575 0.928 0.638 CB 1.721 70 residues pruned to eliminate duplicates Z: 17 20.047 2.102 0.538 0.855 0.750 0.500 CB 1.525 17 residues pruned to eliminate duplicates Z: 10 6.118 1.536 0.326 0.539 0.778 0.778 CB 1.238 Z: 9 3.830 1.492 0.687 0.246 0.750 0.250 N 0.961 Z: 43 33.754 2.201 0.629 0.501 0.881 0.643 CB 1.647 43 residues pruned to eliminate duplicates Z: 36 30.670 2.132 0.740 0.468 0.886 0.457 CB 1.629 36 residues pruned to eliminate duplicates Z: 33 35.947 2.418 1.040 0.242 0.906 0.500 CB 1.917 33 residues pruned to eliminate duplicates Z: 47 49.104 2.418 1.032 0.536 0.870 0.630 CB 1.635 55 residues pruned to eliminate duplicates Z: 10 5.035 1.558 0.518 0.424 0.778 0.667 CB 0.987 Z: 48 71.037 2.546 1.197 0.616 0.979 0.766 CB 1.695 48 residues pruned to eliminate duplicates Z: 76 74.515 2.493 1.080 0.561 0.933 0.613 CB 1.676 76 residues pruned to eliminate duplicates Z: 80 76.855 2.472 0.943 0.632 0.911 0.570 CB 1.746 80 residues pruned to eliminate duplicates Z: 42 41.675 2.218 1.058 0.515 0.927 0.585 CB 1.516 42 residues pruned to eliminate duplicates Z: 6 6.579 1.867 0.583 0.468 0.800 0.800 CB 1.285 6 residues pruned to eliminate duplicates Z: 53 68.966 2.561 1.115 0.571 0.923 0.654 CB 1.786 53 residues pruned to eliminate duplicates Z: 115 65.655 2.372 0.902 0.414 0.895 0.544 CB 1.667 115 residues pruned to eliminate duplicates Z: 14 27.804 2.237 0.927 0.551 1.000 0.769 CB 1.703 14 residues pruned to eliminate duplicates Z: 54 43.456 2.220 0.772 0.520 0.906 0.623 CB 1.643 54 residues pruned to eliminate duplicates Z: 17 49.864 2.486 1.037 0.921 1.000 0.812 CB 1.732 17 residues pruned to eliminate duplicates Z: 21 50.663 2.315 1.098 0.924 1.000 0.850 CB 1.638 21 residues pruned to eliminate duplicates Z: 15 10.538 1.767 0.781 0.281 0.857 0.571 CA 1.337 15 residues pruned to eliminate duplicates Z: 18 28.538 2.270 0.513 0.791 0.941 0.706 CA 1.659 18 residues pruned to eliminate duplicates Z: 22 41.458 2.291 1.050 0.718 1.000 0.762 CB 1.581 22 residues pruned to eliminate duplicates Z: 8 5.316 1.357 0.659 0.366 1.000 0.571 N 1.030 8 residues pruned to eliminate duplicates Z: 12 6.565 1.689 0.643 0.260 0.818 0.545 CB 1.147 Z: 70 48.286 2.209 0.917 0.554 0.884 0.638 CB 1.474 70 residues pruned to eliminate duplicates Z: 20 49.482 2.353 1.105 0.914 1.000 0.737 CB 1.620 20 residues pruned to eliminate duplicates Z: 14 9.262 1.926 0.299 0.488 0.769 0.538 CB 1.351 14 residues pruned to eliminate duplicates Z: 19 61.746 2.375 1.306 0.956 1.000 0.611 CB 1.826 19 residues pruned to eliminate duplicates Z: 9 6.709 1.595 0.861 0.599 0.875 0.625 CB 0.830 Z: 7 2.793 1.876 -0.281 0.385 0.833 0.500 CB 1.146 7 residues pruned to eliminate duplicates Z: 91 45.691 2.202 1.024 0.310 0.889 0.467 CB 1.502 91 residues pruned to eliminate duplicates Z: 6 5.505 1.813 0.706 0.657 1.000 1.000 CB 0.688 Z: 9 12.525 1.764 0.851 0.627 1.000 0.625 CB 1.203 Z: 18 24.705 2.223 1.038 0.567 0.824 0.588 CB 1.505 18 residues pruned to eliminate duplicates Z: 49 25.131 2.046 0.570 0.430 0.833 0.604 CB 1.458 49 residues pruned to eliminate duplicates Z: 41 30.166 2.142 0.817 0.421 0.900 0.475 CB 1.479 41 residues pruned to eliminate duplicates Z: 8 3.723 1.727 -0.106 0.553 0.714 0.429 O 1.213 8 residues pruned to eliminate duplicates Z: 17 32.733 2.190 0.970 0.727 1.000 0.625 CA 1.546 17 residues pruned to eliminate duplicates Z: 50 39.140 2.173 0.875 0.563 0.898 0.592 CB 1.437 50 residues pruned to eliminate duplicates 6 1.914 1.199 0.120 0.390 1.000 0.600 O 0.717 ? Z: 6 2.596 1.987 0.420 0.281 0.600 0.200 CB 0.878 6 residues pruned to eliminate duplicates Z: 18 20.791 2.082 0.887 0.500 0.882 0.588 CA 1.455 17 residues pruned to eliminate duplicates Z: 73 40.758 2.090 0.672 0.554 0.903 0.681 CB 1.445 73 residues pruned to eliminate duplicates Z: 19 26.078 2.042 0.960 0.484 0.889 0.556 CA 1.756 19 residues pruned to eliminate duplicates Z: 13 22.587 2.377 1.238 0.490 0.750 0.583 CA 1.651 13 residues pruned to eliminate duplicates Z: 52 57.301 2.501 1.085 0.602 0.863 0.627 CB 1.619 52 residues pruned to eliminate duplicates Z: 70 59.259 2.401 0.811 0.625 0.870 0.580 CB 1.678 70 residues pruned to eliminate duplicates Z: 41 39.103 2.460 1.135 0.317 0.850 0.600 CB 1.696 41 residues pruned to eliminate duplicates Z: 26 38.771 2.419 0.920 0.541 0.920 0.600 CB 1.744 26 residues pruned to eliminate duplicates Z: 10 8.080 1.949 0.743 0.592 0.889 0.556 CB 0.816 Z: 14 18.129 2.208 1.061 0.504 0.846 0.692 CB 1.300 14 residues pruned to eliminate duplicates Z: 61 36.774 2.314 0.857 0.308 0.867 0.517 CB 1.577 61 residues pruned to eliminate duplicates Z: 18 27.033 2.181 0.385 0.861 1.000 0.824 CB 1.596 18 residues pruned to eliminate duplicates Z: 20 57.495 2.448 1.253 0.932 1.000 0.895 CB 1.670 20 residues pruned to eliminate duplicates Z: 56 32.431 2.052 0.715 0.442 0.891 0.636 CB 1.482 56 residues pruned to eliminate duplicates Z: 10 9.877 1.894 0.108 0.685 0.889 0.556 O 1.489 10 residues pruned to eliminate duplicates Z: 41 38.213 2.234 0.984 0.531 0.900 0.700 CB 1.470 41 residues pruned to eliminate duplicates Z: 76 58.641 2.396 0.913 0.435 0.907 0.587 CB 1.743 76 residues pruned to eliminate duplicates 6 1.438 1.393 0.158 0.287 0.600 0.400 CA 0.845 ? Z: 6 3.146 1.436 0.502 0.305 0.800 0.400 C 1.014 Z: 24 23.373 2.041 0.626 0.652 1.000 0.522 CB 1.274 24 residues pruned to eliminate duplicates Z: 13 17.973 1.812 0.730 0.874 1.000 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 50 43.937 2.214 1.112 0.487 0.918 0.612 CB 1.481 50 residues pruned to eliminate duplicates Z: 11 9.421 2.004 0.598 0.410 0.700 0.500 CB 1.460 11 residues pruned to eliminate duplicates Z: 9 8.934 1.743 0.737 0.612 0.875 0.625 N 1.072 9 residues pruned to eliminate duplicates Z: 18 34.528 2.461 1.097 0.477 1.000 0.588 CA 1.660 18 residues pruned to eliminate duplicates Z: 44 29.573 2.082 0.972 0.404 0.884 0.465 CB 1.375 44 residues pruned to eliminate duplicates Z: 22 25.111 2.544 0.929 0.250 0.857 0.619 CB 1.737 22 residues pruned to eliminate duplicates Z: 88 62.099 2.348 0.943 0.508 0.874 0.529 CB 1.657 88 residues pruned to eliminate duplicates Z: 43 33.464 2.164 0.661 0.499 0.881 0.643 CB 1.631 43 residues pruned to eliminate duplicates Z: 46 27.801 2.066 0.633 0.504 0.844 0.622 CB 1.448 46 residues pruned to eliminate duplicates Z: 81 66.658 2.366 0.920 0.575 0.913 0.575 CB 1.673 81 residues pruned to eliminate duplicates Z: 9 9.691 1.581 0.943 0.369 1.000 0.750 CA 1.284 9 residues pruned to eliminate duplicates Z: 77 51.991 2.216 0.719 0.506 0.961 0.579 CB 1.620 133 residues pruned to eliminate duplicates Z: 7 3.428 1.519 0.190 0.537 0.833 0.500 CB 0.895 Z: 14 17.271 2.043 0.859 0.402 0.846 0.615 CB 1.653 14 residues pruned to eliminate duplicates Z: 27 25.983 2.157 0.764 0.462 0.885 0.538 CB 1.575 Z: 41 45.310 2.492 1.138 0.356 0.900 0.500 CB 1.746 41 residues pruned to eliminate duplicates Z: 6 2.797 1.621 -0.094 0.614 0.800 0.600 CB 0.956 Z: 13 13.873 2.010 0.770 0.591 0.750 0.583 CB 1.376 13 residues pruned to eliminate duplicates Z: 51 29.451 2.066 0.645 0.451 0.860 0.520 CB 1.500 23 residues pruned to eliminate duplicates Z: 23 21.615 2.058 0.823 0.427 0.909 0.636 CB 1.457 23 residues pruned to eliminate duplicates Z: 38 35.499 2.152 0.801 0.471 0.973 0.568 CB 1.595 56 residues pruned to eliminate duplicates Z: 16 13.313 2.191 0.851 0.328 0.733 0.533 CB 1.395 16 residues pruned to eliminate duplicates Z: 129 86.099 2.372 1.090 0.556 0.906 0.609 CB 1.604 129 residues pruned to eliminate duplicates Z: 21 42.201 2.345 0.738 0.856 1.000 0.950 CA 1.708 21 residues pruned to eliminate duplicates Z: 9 12.259 1.695 0.687 0.903 1.000 0.875 CB 1.080 9 residues pruned to eliminate duplicates Z: 11 5.570 1.349 0.673 0.535 0.900 0.600 CB 0.837 9 residues pruned to eliminate duplicates Z: 22 38.440 2.268 1.128 0.732 0.952 0.667 CB 1.482 22 residues pruned to eliminate duplicates Z: 14 12.369 2.044 0.277 0.448 0.846 0.462 CA 1.639 14 residues pruned to eliminate duplicates Z: 8 5.286 1.766 -0.052 0.737 1.000 0.857 CA 0.965 8 residues pruned to eliminate duplicates Z: 33 57.319 2.406 1.292 0.717 0.938 0.719 CB 1.610 33 residues pruned to eliminate duplicates 8 1.916 1.513 0.299 0.335 0.714 0.714 N 0.617 ? Z: 13 15.469 1.830 0.470 0.927 1.000 0.917 CB 1.164 13 residues pruned to eliminate duplicates Z: 55 43.375 2.396 0.816 0.350 0.944 0.537 CB 1.690 55 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 14.282 1.921 0.592 0.508 0.900 0.600 CA 1.628 11 residues pruned to eliminate duplicates Z: 23 20.050 1.894 0.663 0.543 0.955 0.773 CB 1.363 23 residues pruned to eliminate duplicates Z: 11 25.446 2.094 0.799 0.736 1.000 0.800 CB 1.728 11 residues pruned to eliminate duplicates Z: 10 17.254 2.103 0.830 0.623 0.778 0.778 N 1.711 10 residues pruned to eliminate duplicates Z: 20 39.667 2.326 1.092 0.667 0.947 0.632 CB 1.691 20 residues pruned to eliminate duplicates Z: 17 21.453 2.064 0.716 0.636 0.812 0.750 CB 1.641 17 residues pruned to eliminate duplicates Z: 12 16.221 1.903 0.696 0.663 0.909 0.636 CB 1.433 12 residues pruned to eliminate duplicates Z: 14 12.744 1.841 0.608 0.589 0.846 0.462 CB 1.296 14 residues pruned to eliminate duplicates Z: 25 18.013 1.926 0.549 0.494 0.833 0.458 CB 1.488 25 residues pruned to eliminate duplicates Z: 20 22.990 2.004 0.533 0.613 0.947 0.579 CA 1.629 20 residues pruned to eliminate duplicates Z: 22 17.681 1.909 0.551 0.474 0.857 0.524 CB 1.562 22 residues pruned to eliminate duplicates Z: 18 24.571 2.229 0.603 0.603 0.882 0.647 CB 1.714 18 residues pruned to eliminate duplicates Z: 17 10.744 1.749 0.220 0.508 0.875 0.438 CB 1.427 25 residues pruned to eliminate duplicates Z: 10 13.672 2.149 0.301 0.606 0.889 0.444 CB 1.658 10 residues pruned to eliminate duplicates Z: 9 12.185 2.057 0.515 0.612 0.750 0.625 CA 1.658 9 residues pruned to eliminate duplicates Z: 14 10.743 1.923 0.451 0.476 0.769 0.462 CB 1.423 14 residues pruned to eliminate duplicates Z: 18 11.065 1.849 0.279 0.506 0.824 0.412 CB 1.371 18 residues pruned to eliminate duplicates Z: 9 17.134 2.205 0.838 0.634 0.750 0.625 CA 1.758 9 residues pruned to eliminate duplicates Z: 17 30.491 2.274 0.731 0.703 1.000 0.625 CB 1.610 17 residues pruned to eliminate duplicates Z: 16 24.649 2.257 0.826 0.635 0.933 0.600 CB 1.458 16 residues pruned to eliminate duplicates Z: 10 27.147 2.354 1.042 0.721 1.000 0.778 CB 1.542 10 residues pruned to eliminate duplicates Z: 10 23.682 2.381 0.874 0.722 0.889 0.778 CB 1.628 10 residues pruned to eliminate duplicates Z: 11 17.529 2.113 1.001 0.593 0.800 0.500 CB 1.500 11 residues pruned to eliminate duplicates Z: 19 20.254 2.127 0.907 0.560 0.889 0.722 CB 1.249 19 residues pruned to eliminate duplicates Z: 12 13.259 1.936 0.533 0.624 0.909 0.727 CB 1.318 12 residues pruned to eliminate duplicates Z: 22 29.687 2.167 1.033 0.630 0.905 0.810 CB 1.438 22 residues pruned to eliminate duplicates Z: 7 8.289 1.858 0.624 0.625 0.833 0.833 CB 1.197 Z: 19 43.929 2.463 0.701 0.891 1.000 0.944 CA 1.777 19 residues pruned to eliminate duplicates Z: 22 34.764 2.271 0.736 0.792 0.952 0.714 CA 1.564 22 residues pruned to eliminate duplicates Z: 21 37.844 2.322 0.809 0.849 0.950 0.850 CA 1.573 21 residues pruned to eliminate duplicates Z: 22 38.097 2.237 0.825 0.833 0.952 0.667 CA 1.605 22 residues pruned to eliminate duplicates Z: 101 66.690 2.329 0.902 0.557 0.870 0.550 CB 1.637 101 residues pruned to eliminate duplicates Z: 26 38.858 2.269 0.916 0.648 0.920 0.600 CB 1.692 26 residues pruned to eliminate duplicates Z: 25 35.867 2.184 0.992 0.695 0.875 0.708 CA 1.610 25 residues pruned to eliminate duplicates Z: 31 41.628 2.232 0.966 0.743 0.967 0.600 CB 1.441 31 residues pruned to eliminate duplicates Z: 22 44.651 2.305 1.048 0.791 0.952 0.810 CA 1.678 22 residues pruned to eliminate duplicates Z: 20 50.244 2.384 1.198 0.848 0.947 0.737 CB 1.723 20 residues pruned to eliminate duplicates Z: 41 56.571 2.339 0.914 0.693 0.975 0.675 CB 1.719 41 residues pruned to eliminate duplicates Z: 21 47.284 2.364 1.050 0.813 0.950 0.600 CA 1.749 21 residues pruned to eliminate duplicates Z: 22 47.681 2.205 1.140 0.839 1.000 0.476 CB 1.647 22 residues pruned to eliminate duplicates Z: 22 42.452 2.243 1.155 0.803 0.905 0.571 CB 1.625 22 residues pruned to eliminate duplicates Z: 33 44.611 2.239 1.049 0.684 0.906 0.562 CB 1.603 21 residues pruned to eliminate duplicates Z: 20 54.186 2.326 1.089 0.920 1.000 0.579 CA 1.801 20 residues pruned to eliminate duplicates Z: 20 49.230 2.308 1.228 0.870 1.000 0.421 CA 1.603 20 residues pruned to eliminate duplicates Z: 40 59.190 2.355 1.024 0.703 0.949 0.615 CB 1.742 40 residues pruned to eliminate duplicates Z: 37 39.566 2.203 1.039 0.636 0.889 0.583 CB 1.455 37 residues pruned to eliminate duplicates Z: 13 24.174 2.324 0.791 0.487 0.917 0.667 CB 1.853 13 residues pruned to eliminate duplicates Z: 35 55.812 2.414 1.015 0.685 0.971 0.706 CB 1.710 35 residues pruned to eliminate duplicates Z: 13 22.613 2.276 1.027 0.452 0.833 0.583 CA 1.784 13 residues pruned to eliminate duplicates Z: 93 67.586 2.433 0.932 0.549 0.870 0.576 CB 1.643 93 residues pruned to eliminate duplicates Z: 56 61.099 2.518 1.199 0.528 0.855 0.582 CB 1.693 56 residues pruned to eliminate duplicates Z: 99 71.351 2.376 0.974 0.559 0.908 0.541 CB 1.598 99 residues pruned to eliminate duplicates Z: 42 63.483 2.552 1.238 0.614 0.902 0.537 CB 1.727 42 residues pruned to eliminate duplicates Z: 68 74.764 2.575 1.130 0.567 0.910 0.597 CB 1.714 68 residues pruned to eliminate duplicates Z: 67 75.594 2.591 1.135 0.574 0.924 0.576 CB 1.695 67 residues pruned to eliminate duplicates Z: 101 71.572 2.372 0.943 0.554 0.940 0.600 CB 1.567 101 residues pruned to eliminate duplicates Z: 84 81.941 2.511 1.160 0.616 0.892 0.627 CB 1.667 84 residues pruned to eliminate duplicates Z: 84 78.307 2.486 0.999 0.591 0.916 0.578 CB 1.731 84 residues pruned to eliminate duplicates Z: 89 75.866 2.456 1.032 0.587 0.898 0.545 CB 1.661 89 residues pruned to eliminate duplicates Z: 17 33.087 2.475 1.484 0.543 0.875 0.438 CB 1.475 17 residues pruned to eliminate duplicates Z: 99 71.447 2.378 0.987 0.537 0.888 0.592 CB 1.660 99 residues pruned to eliminate duplicates Z: 102 67.123 2.367 0.893 0.573 0.881 0.604 CB 1.576 102 residues pruned to eliminate duplicates Z: 62 56.664 2.401 1.037 0.625 0.852 0.557 CB 1.547 62 residues pruned to eliminate duplicates Z: 97 74.922 2.396 0.990 0.556 0.906 0.604 CB 1.676 97 residues pruned to eliminate duplicates Z: 85 76.131 2.507 0.983 0.613 0.881 0.571 CB 1.703 85 residues pruned to eliminate duplicates Z: 78 63.856 2.391 0.923 0.573 0.883 0.610 CB 1.670 78 residues pruned to eliminate duplicates Z: 117 80.888 2.400 0.945 0.584 0.914 0.612 CB 1.624 124 residues pruned to eliminate duplicates Z: 92 62.648 2.331 0.837 0.555 0.912 0.615 CB 1.594 92 residues pruned to eliminate duplicates Z: 86 77.717 2.463 1.033 0.598 0.906 0.635 CB 1.693 86 residues pruned to eliminate duplicates Z: 68 73.128 2.540 1.167 0.534 0.896 0.612 CB 1.753 68 residues pruned to eliminate duplicates Z: 53 61.599 2.449 1.146 0.581 0.904 0.673 CB 1.664 53 residues pruned to eliminate duplicates Z: 94 69.418 2.383 0.945 0.555 0.892 0.624 CB 1.649 94 residues pruned to eliminate duplicates Z: 103 70.006 2.413 0.912 0.558 0.892 0.598 CB 1.591 103 residues pruned to eliminate duplicates Z: 84 73.131 2.456 0.958 0.603 0.916 0.687 CB 1.653 84 residues pruned to eliminate duplicates Z: 71 69.642 2.457 0.915 0.613 0.929 0.586 CB 1.712 71 residues pruned to eliminate duplicates Z: 108 74.181 2.376 0.933 0.552 0.907 0.607 CB 1.636 108 residues pruned to eliminate duplicates Z: 82 68.887 2.443 0.974 0.592 0.877 0.617 CB 1.659 82 residues pruned to eliminate duplicates Z: 67 68.637 2.432 1.114 0.592 0.939 0.621 CB 1.602 67 residues pruned to eliminate duplicates Z: 70 74.878 2.475 0.999 0.635 0.913 0.652 CB 1.759 70 residues pruned to eliminate duplicates Z: 83 73.489 2.487 0.941 0.595 0.890 0.634 CB 1.724 83 residues pruned to eliminate duplicates Z: 60 69.920 2.510 1.104 0.599 0.966 0.678 CB 1.624 60 residues pruned to eliminate duplicates Z: 104 72.154 2.371 0.953 0.556 0.922 0.621 CB 1.577 104 residues pruned to eliminate duplicates Z: 99 68.531 2.398 0.861 0.564 0.908 0.633 CB 1.604 99 residues pruned to eliminate duplicates Z: 85 76.675 2.482 1.019 0.596 0.905 0.607 CB 1.683 85 residues pruned to eliminate duplicates Z: 85 77.542 2.486 1.000 0.609 0.905 0.583 CB 1.696 85 residues pruned to eliminate duplicates Z: 37 54.423 2.490 0.870 0.650 0.944 0.722 CB 1.793 37 residues pruned to eliminate duplicates Z: 106 73.830 2.372 0.996 0.537 0.914 0.619 CB 1.605 106 residues pruned to eliminate duplicates Z: 67 72.140 2.547 1.046 0.580 0.924 0.667 CB 1.706 67 residues pruned to eliminate duplicates Z: 93 72.448 2.392 0.983 0.573 0.913 0.641 CB 1.625 93 residues pruned to eliminate duplicates Z: 107 74.232 2.399 0.923 0.559 0.906 0.594 CB 1.630 107 residues pruned to eliminate duplicates Z: 72 68.831 2.452 0.864 0.615 0.915 0.620 CB 1.750 72 residues pruned to eliminate duplicates Z: 69 70.665 2.496 0.896 0.634 0.897 0.662 CB 1.779 69 residues pruned to eliminate duplicates Z: 85 76.097 2.472 0.966 0.602 0.905 0.667 CB 1.713 85 residues pruned to eliminate duplicates Z: 38 63.168 2.558 1.038 0.649 0.973 0.703 CB 1.783 38 residues pruned to eliminate duplicates Z: 85 81.698 2.497 1.037 0.616 0.929 0.667 CB 1.692 85 residues pruned to eliminate duplicates Z: 54 72.423 2.566 1.189 0.596 0.943 0.660 CB 1.713 54 residues pruned to eliminate duplicates Z: 86 76.883 2.481 1.068 0.583 0.882 0.565 CB 1.702 86 residues pruned to eliminate duplicates Z: 68 74.934 2.543 1.161 0.545 0.940 0.672 CB 1.695 68 residues pruned to eliminate duplicates Z: 120 82.392 2.380 0.981 0.584 0.908 0.605 CB 1.628 120 residues pruned to eliminate duplicates Z: 103 74.560 2.389 0.919 0.558 0.951 0.559 CB 1.600 103 residues pruned to eliminate duplicates Z: 104 72.443 2.365 0.976 0.563 0.883 0.592 CB 1.627 104 residues pruned to eliminate duplicates Z: 99 76.468 2.384 0.975 0.555 0.949 0.582 CB 1.639 99 residues pruned to eliminate duplicates Z: 33 38.576 2.339 0.834 0.621 0.812 0.500 CB 1.746 33 residues pruned to eliminate duplicates Z: 86 78.842 2.455 1.103 0.587 0.918 0.635 CB 1.662 86 residues pruned to eliminate duplicates Z: 32 39.042 2.397 0.622 0.654 0.903 0.581 CB 1.731 32 residues pruned to eliminate duplicates Z: 106 73.661 2.365 0.984 0.537 0.905 0.629 CB 1.633 106 residues pruned to eliminate duplicates Z: 23 16.437 2.154 0.871 0.374 0.682 0.273 CB 1.459 23 residues pruned to eliminate duplicates Z: 91 72.504 2.438 0.897 0.557 0.922 0.633 CB 1.696 91 residues pruned to eliminate duplicates Z: 32 43.983 2.377 0.721 0.655 0.935 0.677 CB 1.788 32 residues pruned to eliminate duplicates Z: 94 75.660 2.410 1.042 0.578 0.925 0.667 CB 1.599 94 residues pruned to eliminate duplicates Z: 33 41.429 2.341 0.782 0.622 0.938 0.500 CB 1.669 33 residues pruned to eliminate duplicates Z: 85 81.477 2.470 1.078 0.595 0.917 0.607 CB 1.725 85 residues pruned to eliminate duplicates Z: 48 37.744 2.195 0.854 0.540 0.851 0.553 CB 1.528 48 residues pruned to eliminate duplicates Z: 106 72.061 2.353 1.043 0.533 0.895 0.590 CB 1.582 106 residues pruned to eliminate duplicates Z: 86 65.691 2.359 0.922 0.556 0.941 0.624 CB 1.581 86 residues pruned to eliminate duplicates Z: 58 46.917 2.285 0.828 0.520 0.895 0.596 CB 1.630 58 residues pruned to eliminate duplicates Z: 84 79.332 2.490 1.017 0.600 0.940 0.675 CB 1.678 84 residues pruned to eliminate duplicates Z: 85 77.947 2.476 1.088 0.585 0.905 0.607 CB 1.676 85 residues pruned to eliminate duplicates Z: 96 72.339 2.362 0.973 0.575 0.947 0.653 CB 1.564 96 residues pruned to eliminate duplicates Z: 73 45.734 2.129 0.779 0.528 0.917 0.611 CB 1.511 73 residues pruned to eliminate duplicates Z: 60 40.324 2.284 0.675 0.500 0.898 0.610 CB 1.527 60 residues pruned to eliminate duplicates Z: 35 39.127 2.314 0.855 0.574 0.853 0.588 CB 1.706 35 residues pruned to eliminate duplicates Z: 87 75.571 2.469 0.981 0.604 0.930 0.721 CB 1.622 87 residues pruned to eliminate duplicates Z: 39 38.877 2.261 0.758 0.582 0.921 0.553 CB 1.592 39 residues pruned to eliminate duplicates Z: 86 64.744 2.303 0.947 0.543 0.918 0.647 CB 1.637 86 residues pruned to eliminate duplicates Z: 40 39.033 2.242 0.832 0.526 0.897 0.538 CB 1.652 40 residues pruned to eliminate duplicates Z: 58 42.705 2.202 0.728 0.519 0.965 0.544 CB 1.512 58 residues pruned to eliminate duplicates Z: 85 79.426 2.481 1.056 0.596 0.929 0.655 CB 1.669 85 residues pruned to eliminate duplicates Z: 47 34.197 2.191 0.654 0.510 0.891 0.565 CB 1.545 47 residues pruned to eliminate duplicates Z: 109 73.282 2.311 0.993 0.551 0.944 0.611 CB 1.543 109 residues pruned to eliminate duplicates Z: 99 75.562 2.392 0.991 0.553 0.949 0.571 CB 1.604 99 residues pruned to eliminate duplicates Z: 66 46.993 2.289 0.811 0.506 0.908 0.585 CB 1.541 66 residues pruned to eliminate duplicates Z: 81 43.023 2.079 0.681 0.496 0.913 0.562 CB 1.514 81 residues pruned to eliminate duplicates Z: 110 76.105 2.390 0.946 0.531 0.927 0.725 CB 1.641 110 residues pruned to eliminate duplicates Z: 40 40.848 2.346 0.953 0.543 0.897 0.615 CB 1.526 40 residues pruned to eliminate duplicates Z: 14 12.222 1.954 0.709 0.434 0.923 0.462 CB 1.178 14 residues pruned to eliminate duplicates Z: 17 15.188 1.957 0.718 0.468 1.000 0.688 CB 1.167 17 residues pruned to eliminate duplicates Z: 54 39.227 2.183 0.772 0.533 0.925 0.509 CB 1.459 54 residues pruned to eliminate duplicates Z: 71 45.447 2.150 0.712 0.539 0.914 0.686 CB 1.554 71 residues pruned to eliminate duplicates Z: 100 79.682 2.410 1.024 0.563 0.960 0.677 CB 1.609 100 residues pruned to eliminate duplicates Z: 31 21.954 2.032 0.707 0.520 0.900 0.567 CB 1.259 31 residues pruned to eliminate duplicates Z: 16 6.338 1.727 0.472 0.384 0.800 0.467 CB 0.910 16 residues pruned to eliminate duplicates Z: 125 78.305 2.343 0.968 0.562 0.903 0.645 CB 1.589 125 residues pruned to eliminate duplicates Z: 23 14.444 1.996 0.447 0.442 0.955 0.545 CB 1.186 23 residues pruned to eliminate duplicates Z: 33 45.350 2.528 0.821 0.569 0.969 0.500 CB 1.683 33 residues pruned to eliminate duplicates Z: 34 20.522 2.037 0.714 0.336 0.848 0.364 CB 1.443 34 residues pruned to eliminate duplicates Z: 57 41.544 2.177 0.738 0.518 0.946 0.589 CB 1.523 57 residues pruned to eliminate duplicates Z: 15 18.331 2.327 0.730 0.500 0.786 0.429 CB 1.549 15 residues pruned to eliminate duplicates Z: 33 45.723 2.460 1.052 0.600 0.906 0.500 CB 1.606 33 residues pruned to eliminate duplicates Z: 93 71.788 2.373 0.893 0.583 0.924 0.663 CB 1.666 93 residues pruned to eliminate duplicates Z: 14 17.539 2.398 0.534 0.629 0.846 0.615 CB 1.384 14 residues pruned to eliminate duplicates Z: 26 46.236 2.484 1.161 0.595 0.880 0.640 CB 1.788 26 residues pruned to eliminate duplicates Z: 111 82.429 2.425 0.955 0.576 0.955 0.709 CB 1.615 111 residues pruned to eliminate duplicates Z: 9 20.335 2.476 1.000 0.519 0.750 0.500 CA 1.900 9 residues pruned to eliminate duplicates Z: 13 34.131 2.441 1.382 0.542 0.917 0.667 CB 1.775 13 residues pruned to eliminate duplicates Z: 43 45.331 2.319 0.993 0.557 0.905 0.548 CB 1.583 43 residues pruned to eliminate duplicates Z: 28 58.404 2.506 1.229 0.697 0.926 0.704 CB 1.815 28 residues pruned to eliminate duplicates Z: 130 89.775 2.411 0.996 0.574 0.938 0.651 CB 1.631 130 residues pruned to eliminate duplicates Z: 31 60.285 2.547 1.335 0.698 0.933 0.667 CB 1.656 17 residues pruned to eliminate duplicates Z: 7 13.431 2.256 0.850 0.383 0.833 0.500 CA 1.786 7 residues pruned to eliminate duplicates Z: 30 47.771 2.434 1.070 0.645 0.897 0.621 CB 1.716 30 residues pruned to eliminate duplicates Z: 27 37.582 2.344 0.910 0.589 0.962 0.615 CB 1.572 27 residues pruned to eliminate duplicates Z: 24 44.577 2.487 1.247 0.609 0.826 0.609 CB 1.815 24 residues pruned to eliminate duplicates Z: 22 34.249 2.316 0.910 0.643 0.952 0.619 CB 1.552 22 residues pruned to eliminate duplicates Z: 47 44.284 2.249 0.943 0.572 0.935 0.609 CB 1.490 47 residues pruned to eliminate duplicates Z: 131 86.033 2.409 1.000 0.560 0.908 0.638 CB 1.627 131 residues pruned to eliminate duplicates Z: 21 42.080 2.387 1.017 0.797 1.000 0.750 CB 1.507 21 residues pruned to eliminate duplicates Z: 74 56.915 2.238 0.861 0.607 0.932 0.575 CB 1.550 74 residues pruned to eliminate duplicates Z: 32 54.945 2.464 1.181 0.627 0.935 0.581 CB 1.742 32 residues pruned to eliminate duplicates Z: 73 58.823 2.330 0.955 0.577 0.931 0.569 CB 1.518 73 residues pruned to eliminate duplicates Z: 38 54.023 2.430 1.271 0.667 0.865 0.622 CB 1.595 38 residues pruned to eliminate duplicates Z: 24 30.097 2.228 0.937 0.620 0.870 0.565 CB 1.493 24 residues pruned to eliminate duplicates Z: 35 41.708 2.393 0.937 0.557 0.853 0.676 CB 1.713 35 residues pruned to eliminate duplicates Z: 6 6.002 1.979 0.412 0.434 0.600 0.400 CB 1.714 6 residues pruned to eliminate duplicates Z: 27 59.109 2.506 1.407 0.683 0.885 0.808 CB 1.836 27 residues pruned to eliminate duplicates Z: 47 37.075 2.127 0.854 0.599 0.870 0.630 CB 1.450 47 residues pruned to eliminate duplicates Z: 29 24.184 2.089 0.458 0.617 0.964 0.679 CB 1.393 29 residues pruned to eliminate duplicates Z: 16 21.598 2.270 0.650 0.447 0.933 0.800 CB 1.685 16 residues pruned to eliminate duplicates Z: 19 14.726 2.113 0.621 0.334 0.833 0.611 CB 1.459 19 residues pruned to eliminate duplicates Z: 31 21.538 1.981 0.685 0.548 0.900 0.633 CB 1.250 31 residues pruned to eliminate duplicates Z: 28 22.773 2.092 0.469 0.539 0.926 0.704 CB 1.483 28 residues pruned to eliminate duplicates Z: 19 18.121 2.110 0.709 0.416 0.944 0.611 CB 1.369 19 residues pruned to eliminate duplicates Z: 18 18.808 2.178 0.581 0.426 0.941 0.647 CB 1.519 18 residues pruned to eliminate duplicates Z: 120 60.376 2.200 0.766 0.474 0.941 0.605 CB 1.555 120 residues pruned to eliminate duplicates Z: 32 19.381 1.904 0.568 0.479 0.903 0.677 CB 1.320 32 residues pruned to eliminate duplicates Z: 38 22.593 1.935 0.652 0.506 0.865 0.730 CB 1.335 38 residues pruned to eliminate duplicates Z: 34 26.183 2.044 0.592 0.517 0.909 0.576 CB 1.515 34 residues pruned to eliminate duplicates Z: 38 23.481 1.927 0.628 0.526 0.892 0.649 CB 1.345 38 residues pruned to eliminate duplicates Z: 38 22.822 1.949 0.461 0.533 0.946 0.595 CB 1.348 38 residues pruned to eliminate duplicates Z: 29 23.022 2.023 0.587 0.517 0.964 0.786 CB 1.382 29 residues pruned to eliminate duplicates Z: 30 27.520 2.063 0.693 0.584 0.931 0.759 CB 1.449 30 residues pruned to eliminate duplicates Z: 30 26.645 2.050 0.665 0.623 0.931 0.793 CB 1.387 30 residues pruned to eliminate duplicates Z: 38 22.967 1.935 0.542 0.520 0.919 0.703 CB 1.349 38 residues pruned to eliminate duplicates Z: 36 25.022 1.973 0.604 0.564 0.943 0.600 CB 1.333 36 residues pruned to eliminate duplicates Z: 30 28.780 2.063 0.736 0.582 0.966 0.759 CB 1.429 30 residues pruned to eliminate duplicates Z: 45 47.982 2.213 1.020 0.627 0.955 0.636 CB 1.505 45 residues pruned to eliminate duplicates Z: 27 26.174 2.120 0.580 0.620 0.962 0.692 CB 1.423 27 residues pruned to eliminate duplicates Z: 38 23.365 1.931 0.638 0.515 0.919 0.622 CB 1.301 38 residues pruned to eliminate duplicates Z: 115 57.299 2.223 0.775 0.436 0.921 0.553 CB 1.577 115 residues pruned to eliminate duplicates Z: 160 75.887 2.263 0.886 0.479 0.925 0.597 CB 1.557 160 residues pruned to eliminate duplicates Z: 39 22.701 1.911 0.701 0.523 0.868 0.658 CB 1.275 39 residues pruned to eliminate duplicates Z: 31 25.846 2.027 0.704 0.571 0.900 0.700 CB 1.417 31 residues pruned to eliminate duplicates Z: 33 23.100 1.984 0.566 0.530 0.906 0.625 CB 1.408 33 residues pruned to eliminate duplicates Z: 114 54.995 2.219 0.763 0.457 0.903 0.611 CB 1.531 114 residues pruned to eliminate duplicates Z: 111 57.248 2.213 0.805 0.475 0.918 0.609 CB 1.527 111 residues pruned to eliminate duplicates Z: 127 57.968 2.216 0.780 0.458 0.905 0.611 CB 1.511 127 residues pruned to eliminate duplicates Z: 37 26.957 1.953 0.664 0.531 0.972 0.694 CB 1.380 37 residues pruned to eliminate duplicates Z: 12 4.481 1.327 0.758 0.297 0.727 0.273 CB 0.999 12 residues pruned to eliminate duplicates Z: 164 64.827 2.206 0.859 0.435 0.859 0.552 CB 1.542 164 residues pruned to eliminate duplicates Z: 88 58.844 2.299 0.903 0.438 0.943 0.667 CB 1.630 88 residues pruned to eliminate duplicates Z: 121 55.862 2.216 0.772 0.468 0.883 0.592 CB 1.518 121 residues pruned to eliminate duplicates Z: 85 57.587 2.335 0.851 0.432 0.940 0.524 CB 1.658 85 residues pruned to eliminate duplicates Z: 92 50.709 2.141 0.760 0.577 0.912 0.626 CB 1.436 92 residues pruned to eliminate duplicates Z: 86 52.127 2.293 0.765 0.422 0.929 0.518 CB 1.630 86 residues pruned to eliminate duplicates Z: 121 67.428 2.319 0.861 0.442 0.925 0.508 CB 1.637 121 residues pruned to eliminate duplicates Z: 123 64.333 2.253 0.870 0.453 0.926 0.598 CB 1.567 123 residues pruned to eliminate duplicates Z: 58 48.914 2.317 0.777 0.507 0.930 0.596 CB 1.680 58 residues pruned to eliminate duplicates Z: 76 51.978 2.373 0.796 0.424 0.920 0.533 CB 1.657 76 residues pruned to eliminate duplicates Z: 77 53.297 2.365 0.822 0.425 0.934 0.566 CB 1.641 77 residues pruned to eliminate duplicates Z: 109 59.416 2.346 0.905 0.417 0.870 0.556 CB 1.604 109 residues pruned to eliminate duplicates Z: 85 62.622 2.375 0.939 0.440 0.917 0.595 CB 1.723 85 residues pruned to eliminate duplicates Z: 78 55.956 2.382 0.789 0.439 0.935 0.623 CB 1.704 78 residues pruned to eliminate duplicates Z: 59 49.170 2.323 0.781 0.484 0.948 0.586 CB 1.673 59 residues pruned to eliminate duplicates Z: 170 68.020 2.216 0.866 0.427 0.905 0.556 CB 1.507 170 residues pruned to eliminate duplicates Z: 69 44.392 2.230 0.743 0.465 0.941 0.603 CB 1.525 69 residues pruned to eliminate duplicates Z: 75 55.825 2.406 0.863 0.440 0.919 0.649 CB 1.677 75 residues pruned to eliminate duplicates Z: 77 59.559 2.377 0.871 0.428 0.961 0.684 CB 1.724 77 residues pruned to eliminate duplicates Z: 82 58.731 2.299 0.912 0.426 0.963 0.617 CB 1.666 82 residues pruned to eliminate duplicates Z: 84 53.547 2.324 0.849 0.405 0.928 0.566 CB 1.630 84 residues pruned to eliminate duplicates Z: 120 57.486 2.268 0.884 0.412 0.882 0.597 CB 1.533 129 residues pruned to eliminate duplicates Z: 126 72.119 2.320 1.006 0.445 0.912 0.600 CB 1.609 126 residues pruned to eliminate duplicates Z: 123 67.543 2.318 0.947 0.434 0.910 0.598 CB 1.594 123 residues pruned to eliminate duplicates Z: 122 76.460 2.370 1.007 0.443 0.950 0.579 CB 1.631 122 residues pruned to eliminate duplicates Z: 145 65.886 2.238 0.883 0.425 0.917 0.590 CB 1.538 145 residues pruned to eliminate duplicates Z: 77 63.717 2.385 0.920 0.451 0.974 0.618 CB 1.724 77 residues pruned to eliminate duplicates Z: 127 66.551 2.283 0.857 0.437 0.937 0.556 CB 1.594 127 residues pruned to eliminate duplicates Z: 59 52.566 2.333 0.815 0.505 0.948 0.638 CB 1.710 59 residues pruned to eliminate duplicates Z: 76 59.663 2.392 0.854 0.443 0.947 0.613 CB 1.740 76 residues pruned to eliminate duplicates Z: 76 62.231 2.415 0.918 0.453 0.933 0.613 CB 1.744 76 residues pruned to eliminate duplicates Z: 115 60.333 2.242 0.835 0.459 0.921 0.640 CB 1.555 115 residues pruned to eliminate duplicates Z: 66 51.205 2.417 0.992 0.347 0.908 0.585 CB 1.715 66 residues pruned to eliminate duplicates Z: 55 41.236 2.243 0.706 0.469 0.907 0.556 CB 1.667 55 residues pruned to eliminate duplicates Z: 52 38.962 2.251 0.669 0.492 0.902 0.588 CB 1.623 52 residues pruned to eliminate duplicates Z: 78 56.154 2.381 0.828 0.414 0.948 0.571 CB 1.697 78 residues pruned to eliminate duplicates Z: 123 65.034 2.282 0.831 0.431 0.902 0.549 CB 1.679 160 residues pruned to eliminate duplicates Z: 64 49.423 2.410 0.931 0.343 0.921 0.587 CB 1.723 64 residues pruned to eliminate duplicates Z: 77 56.711 2.376 0.861 0.423 0.921 0.618 CB 1.730 77 residues pruned to eliminate duplicates Z: 87 54.940 2.289 0.913 0.426 0.907 0.593 CB 1.611 87 residues pruned to eliminate duplicates Z: 123 71.144 2.343 0.989 0.434 0.902 0.598 CB 1.642 123 residues pruned to eliminate duplicates Z: 65 46.330 2.368 0.971 0.311 0.906 0.547 CB 1.688 65 residues pruned to eliminate duplicates Z: 77 59.138 2.382 0.887 0.430 0.921 0.645 CB 1.761 77 residues pruned to eliminate duplicates Z: 68 43.464 2.214 0.703 0.480 0.940 0.552 CB 1.528 68 residues pruned to eliminate duplicates Z: 122 74.991 2.351 0.997 0.451 0.934 0.554 CB 1.635 122 residues pruned to eliminate duplicates Z: 127 61.318 2.204 0.856 0.428 0.905 0.571 CB 1.591 127 residues pruned to eliminate duplicates Z: 86 52.715 2.304 0.816 0.418 0.918 0.541 CB 1.621 86 residues pruned to eliminate duplicates Z: 91 55.401 2.304 0.842 0.415 0.911 0.611 CB 1.651 91 residues pruned to eliminate duplicates Z: 135 73.541 2.288 0.961 0.446 0.933 0.597 CB 1.605 135 residues pruned to eliminate duplicates Z: 6 5.231 1.942 0.316 0.468 1.000 0.400 CB 0.945 6 residues pruned to eliminate duplicates Z: 133 68.510 2.281 0.977 0.436 0.886 0.515 CB 1.593 133 residues pruned to eliminate duplicates Z: 80 59.279 2.338 0.953 0.437 0.911 0.582 CB 1.709 80 residues pruned to eliminate duplicates Z: 73 53.389 2.411 0.806 0.451 0.917 0.639 CB 1.658 73 residues pruned to eliminate duplicates Z: 163 77.206 2.258 0.923 0.469 0.914 0.623 CB 1.578 183 residues pruned to eliminate duplicates Z: 6 10.216 1.935 1.074 0.362 0.800 0.800 N 1.651 6 residues pruned to eliminate duplicates Z: 85 58.908 2.373 0.960 0.416 0.893 0.631 CB 1.689 85 residues pruned to eliminate duplicates Z: 124 68.208 2.326 0.970 0.420 0.894 0.593 CB 1.632 124 residues pruned to eliminate duplicates Z: 60 50.845 2.338 0.774 0.482 0.949 0.542 CB 1.713 60 residues pruned to eliminate duplicates Z: 77 60.289 2.396 0.911 0.431 0.947 0.618 CB 1.712 77 residues pruned to eliminate duplicates Z: 125 62.091 2.236 0.876 0.442 0.903 0.581 CB 1.563 125 residues pruned to eliminate duplicates Z: 87 56.259 2.311 0.868 0.423 0.930 0.570 CB 1.636 87 residues pruned to eliminate duplicates Z: 62 46.172 2.264 0.796 0.453 0.902 0.557 CB 1.692 62 residues pruned to eliminate duplicates Z: 53 40.606 2.319 1.169 0.276 0.865 0.577 CB 1.668 53 residues pruned to eliminate duplicates Z: 78 60.638 2.379 0.927 0.431 0.948 0.584 CB 1.708 78 residues pruned to eliminate duplicates Z: 21 30.506 2.556 1.170 0.313 0.850 0.550 CB 1.780 21 residues pruned to eliminate duplicates Z: 78 56.544 2.381 0.830 0.443 0.909 0.623 CB 1.725 78 residues pruned to eliminate duplicates Z: 75 61.042 2.410 0.972 0.434 0.905 0.635 CB 1.765 75 residues pruned to eliminate duplicates Z: 77 60.487 2.382 0.872 0.449 0.947 0.658 CB 1.732 77 residues pruned to eliminate duplicates Z: 67 48.236 2.391 1.034 0.326 0.864 0.545 CB 1.711 67 residues pruned to eliminate duplicates Z: 85 55.998 2.313 0.880 0.422 0.929 0.583 CB 1.641 85 residues pruned to eliminate duplicates Z: 78 56.340 2.348 0.831 0.427 0.948 0.610 CB 1.701 78 residues pruned to eliminate duplicates Z: 86 54.260 2.330 0.833 0.416 0.894 0.541 CB 1.683 86 residues pruned to eliminate duplicates Z: 79 57.564 2.367 0.889 0.433 0.923 0.590 CB 1.692 79 residues pruned to eliminate duplicates Z: 79 56.659 2.369 0.853 0.409 0.936 0.590 CB 1.716 79 residues pruned to eliminate duplicates Z: 71 56.283 2.417 0.834 0.423 0.943 0.600 CB 1.745 71 residues pruned to eliminate duplicates Z: 78 55.547 2.387 0.898 0.413 0.909 0.571 CB 1.684 78 residues pruned to eliminate duplicates Z: 20 19.783 2.229 0.829 0.281 0.895 0.474 CB 1.594 20 residues pruned to eliminate duplicates Z: 86 55.889 2.342 0.929 0.404 0.894 0.588 CB 1.660 86 residues pruned to eliminate duplicates Z: 84 56.095 2.374 0.902 0.411 0.892 0.542 CB 1.678 84 residues pruned to eliminate duplicates Z: 75 48.740 2.295 1.052 0.384 0.919 0.595 CB 1.482 68 residues pruned to eliminate duplicates Z: 9 9.013 1.525 0.744 0.590 1.000 0.750 C 1.100 9 residues pruned to eliminate duplicates Z: 82 46.610 2.293 0.830 0.359 0.864 0.556 CB 1.662 82 residues pruned to eliminate duplicates Z: 65 46.640 2.384 0.955 0.329 0.922 0.562 CB 1.638 65 residues pruned to eliminate duplicates Z: 124 72.673 2.351 0.942 0.439 0.927 0.553 CB 1.649 124 residues pruned to eliminate duplicates Z: 83 64.649 2.411 0.967 0.417 0.939 0.598 CB 1.748 83 residues pruned to eliminate duplicates Z: 91 55.701 2.319 0.911 0.429 0.878 0.589 CB 1.624 91 residues pruned to eliminate duplicates Z: 64 39.739 2.350 0.853 0.311 0.873 0.556 CB 1.624 64 residues pruned to eliminate duplicates Z: 7 5.955 2.032 0.257 0.271 0.833 0.667 CB 1.481 7 residues pruned to eliminate duplicates Z: 122 74.909 2.372 0.974 0.448 0.917 0.554 CB 1.673 122 residues pruned to eliminate duplicates Z: 35 41.357 2.344 1.203 0.432 0.882 0.559 CB 1.669 35 residues pruned to eliminate duplicates Z: 57 35.613 2.093 1.007 0.411 0.893 0.482 CB 1.393 54 residues pruned to eliminate duplicates Z: 12 20.084 2.055 0.934 0.606 0.909 0.636 CA 1.516 12 residues pruned to eliminate duplicates Z: 44 35.719 2.242 1.097 0.469 0.837 0.581 CB 1.428 44 residues pruned to eliminate duplicates Z: 120 69.212 2.342 0.991 0.444 0.908 0.563 CB 1.588 120 residues pruned to eliminate duplicates Z: 49 36.991 2.175 1.014 0.469 0.875 0.479 CB 1.437 49 residues pruned to eliminate duplicates Z: 57 38.216 2.104 1.114 0.408 0.911 0.589 CB 1.388 57 residues pruned to eliminate duplicates Z: 9 32.284 2.331 1.090 0.902 1.000 0.625 CB 1.671 9 residues pruned to eliminate duplicates Z: 43 37.244 2.207 1.067 0.476 0.881 0.571 CB 1.465 43 residues pruned to eliminate duplicates Z: 43 40.993 2.203 1.177 0.477 0.905 0.500 CB 1.493 43 residues pruned to eliminate duplicates Z: 52 39.408 2.138 1.104 0.437 0.922 0.490 CB 1.420 52 residues pruned to eliminate duplicates Z: 7 5.980 1.554 1.389 0.339 1.000 0.833 CB 0.783 7 residues pruned to eliminate duplicates Z: 135 64.041 2.236 0.866 0.454 0.873 0.582 CB 1.591 135 residues pruned to eliminate duplicates Z: 42 41.083 2.234 1.164 0.480 0.878 0.634 CB 1.542 42 residues pruned to eliminate duplicates Z: 52 39.113 2.127 1.060 0.456 0.922 0.569 CB 1.418 54 residues pruned to eliminate duplicates Z: 6 8.984 1.964 0.957 0.289 0.800 0.600 CA 1.656 6 residues pruned to eliminate duplicates Z: 53 35.355 2.116 1.027 0.440 0.885 0.481 CB 1.374 53 residues pruned to eliminate duplicates Z: 43 38.396 2.177 1.102 0.487 0.905 0.405 CB 1.450 43 residues pruned to eliminate duplicates Z: 42 37.965 2.246 0.976 0.484 0.878 0.488 CB 1.547 42 residues pruned to eliminate duplicates Z: 30 23.534 2.151 0.885 0.365 0.862 0.517 CB 1.446 30 residues pruned to eliminate duplicates Z: 99 52.270 2.255 1.074 0.373 0.898 0.541 CB 1.441 99 residues pruned to eliminate duplicates Z: 41 41.080 2.238 1.169 0.488 0.900 0.550 CB 1.505 41 residues pruned to eliminate duplicates Z: 42 35.810 2.207 1.029 0.502 0.878 0.585 CB 1.419 42 residues pruned to eliminate duplicates Z: 40 41.782 2.267 1.117 0.513 0.897 0.564 CB 1.533 40 residues pruned to eliminate duplicates Z: 34 25.112 2.022 0.984 0.399 0.909 0.636 CB 1.334 34 residues pruned to eliminate duplicates Z: 46 30.982 2.174 0.920 0.417 0.844 0.511 CB 1.429 46 residues pruned to eliminate duplicates Z: 42 40.509 2.220 1.100 0.494 0.902 0.561 CB 1.512 42 residues pruned to eliminate duplicates Z: 162 70.468 2.252 0.839 0.461 0.907 0.559 CB 1.539 162 residues pruned to eliminate duplicates Z: 26 21.224 2.069 0.873 0.495 0.840 0.480 CB 1.311 26 residues pruned to eliminate duplicates Z: 43 37.508 2.219 0.990 0.476 0.905 0.619 CB 1.485 43 residues pruned to eliminate duplicates Z: 131 69.811 2.310 1.026 0.435 0.900 0.592 CB 1.554 131 residues pruned to eliminate duplicates Z: 124 68.474 2.346 0.886 0.438 0.911 0.585 CB 1.634 124 residues pruned to eliminate duplicates Z: 41 42.936 2.258 1.073 0.509 0.950 0.700 CB 1.513 41 residues pruned to eliminate duplicates Z: 130 69.049 2.304 0.950 0.448 0.907 0.574 CB 1.574 130 residues pruned to eliminate duplicates Z: 51 40.936 2.158 1.047 0.453 0.960 0.580 CB 1.433 51 residues pruned to eliminate duplicates Z: 41 40.368 2.263 1.085 0.500 0.900 0.600 CB 1.504 41 residues pruned to eliminate duplicates Z: 41 43.591 2.265 1.130 0.496 0.950 0.575 CB 1.509 41 residues pruned to eliminate duplicates Z: 42 40.739 2.255 1.025 0.496 0.927 0.756 CB 1.509 42 residues pruned to eliminate duplicates Z: 51 33.244 2.109 0.886 0.426 0.900 0.660 CB 1.418 51 residues pruned to eliminate duplicates Z: 48 37.259 2.156 1.050 0.440 0.915 0.574 CB 1.430 48 residues pruned to eliminate duplicates Z: 128 64.936 2.236 0.924 0.434 0.906 0.591 CB 1.584 128 residues pruned to eliminate duplicates Z: 131 67.222 2.303 0.924 0.431 0.915 0.638 CB 1.561 131 residues pruned to eliminate duplicates Z: 51 39.474 2.135 1.163 0.457 0.920 0.580 CB 1.373 51 residues pruned to eliminate duplicates Z: 6 10.887 1.873 0.967 0.437 1.000 0.600 CB 1.411 6 residues pruned to eliminate duplicates Z: 9 7.361 1.609 0.539 0.343 1.000 0.500 CB 1.246 9 residues pruned to eliminate duplicates Z: 6 8.845 1.882 0.859 0.439 0.800 0.800 CB 1.505 6 residues pruned to eliminate duplicates Z: 9 9.244 1.598 0.808 0.395 1.000 0.500 CB 1.264 7 residues pruned to eliminate duplicates Z: 6 4.216 1.103 1.028 0.392 1.000 0.600 N 0.945 Z: 13 17.231 1.953 0.911 0.523 0.917 0.583 CB 1.422 Z: 11 18.891 2.058 0.754 0.653 1.000 0.700 CA 1.436 11 residues pruned to eliminate duplicates Z: 38 34.404 2.186 0.752 0.461 0.946 0.541 CB 1.625 12 residues pruned to eliminate duplicates Z: 11 20.826 2.054 0.540 0.861 1.000 0.800 CA 1.530 11 residues pruned to eliminate duplicates Z: 37 30.596 2.193 0.733 0.436 0.917 0.639 CB 1.563 37 residues pruned to eliminate duplicates Z: 50 30.282 2.061 0.691 0.430 0.878 0.551 CB 1.521 45 residues pruned to eliminate duplicates Z: 10 22.128 2.208 0.707 0.829 1.000 0.889 CA 1.472 10 residues pruned to eliminate duplicates Z: 46 29.663 2.104 0.673 0.416 0.911 0.467 CB 1.505 54 residues pruned to eliminate duplicates Z: 13 20.543 1.998 0.817 0.676 1.000 0.750 CA 1.389 13 residues pruned to eliminate duplicates Z: 47 34.387 2.117 0.740 0.450 0.935 0.565 CB 1.551 53 residues pruned to eliminate duplicates Z: 6 6.659 1.889 0.498 0.419 1.000 0.600 CA 1.146 6 residues pruned to eliminate duplicates Z: 31 24.549 2.075 0.610 0.475 0.867 0.500 CB 1.588 29 residues pruned to eliminate duplicates Z: 7 7.329 2.105 0.275 0.457 0.833 0.500 CA 1.398 7 residues pruned to eliminate duplicates Z: 44 30.154 2.079 0.846 0.470 0.837 0.488 CB 1.476 38 residues pruned to eliminate duplicates Z: 8 10.561 1.922 0.560 0.498 0.857 0.714 CB 1.556 8 residues pruned to eliminate duplicates Z: 37 36.532 2.215 0.889 0.478 0.917 0.556 CB 1.624 43 residues pruned to eliminate duplicates Z: 6 3.512 1.741 0.712 0.374 0.600 0.200 CA 1.004 6 residues pruned to eliminate duplicates Z: 37 33.608 2.225 0.782 0.473 0.889 0.583 CB 1.634 37 residues pruned to eliminate duplicates Z: 38 29.952 2.199 0.808 0.450 0.838 0.541 CB 1.557 38 residues pruned to eliminate duplicates Z: 37 34.950 2.189 0.785 0.500 0.917 0.500 CB 1.626 37 residues pruned to eliminate duplicates Z: 39 32.581 2.166 0.815 0.465 0.868 0.500 CB 1.603 39 residues pruned to eliminate duplicates Z: 41 29.751 2.112 0.793 0.474 0.875 0.525 CB 1.458 41 residues pruned to eliminate duplicates Z: 37 35.496 2.194 0.884 0.491 0.889 0.389 CB 1.625 37 residues pruned to eliminate duplicates Z: 37 34.696 2.196 0.842 0.495 0.889 0.528 CB 1.616 37 residues pruned to eliminate duplicates Z: 225 74.478 2.181 0.776 0.453 0.893 0.580 CB 1.509 223 residues pruned to eliminate duplicates 409 residues left after pruning, divided into chains as follows: A: 5 B: 404 CC for partial structure against native data = 41.54 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.749 for dens.mod. cycle 1 = 0.300, Contrast = 0.696, Connect. = 0.779 for dens.mod. cycle 2 = 0.300, Contrast = 0.830, Connect. = 0.803 for dens.mod. cycle 3 = 0.300, Contrast = 0.851, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.870, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.877, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.886, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.889, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.892, Connect. = 0.813 for dens.mod. cycle 9 = 0.300, Contrast = 0.893, Connect. = 0.814 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2587 peaks > 0.5 sigma used to seed fragment search Space for about 666 unique residues taking solvent into account 555 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 86 59.020 2.370 0.966 0.410 0.906 0.612 CB 1.667 B: 21 49.363 2.342 1.208 0.906 0.950 0.850 CB 1.598 C: 19 50.633 2.448 0.856 0.953 1.000 0.500 CB 1.808 D: 107 73.367 2.378 0.948 0.558 0.915 0.623 CB 1.590 21 residues pruned to eliminate duplicates E: 115 55.697 2.219 0.741 0.471 0.904 0.632 CB 1.539 78 residues pruned to eliminate duplicates F: 21 58.162 2.349 1.324 0.933 1.000 0.850 CB 1.663 21 residues pruned to eliminate duplicates G: 42 62.111 2.492 1.299 0.651 0.902 0.707 CB 1.630 42 residues pruned to eliminate duplicates H: 37 37.756 2.279 0.687 0.564 0.889 0.500 CB 1.730 37 residues pruned to eliminate duplicates I: 132 66.025 2.280 0.889 0.420 0.901 0.527 CB 1.616 93 residues pruned to eliminate duplicates J: 82 74.196 2.484 1.161 0.556 0.914 0.593 CB 1.592 77 residues pruned to eliminate duplicates K: 32 39.423 2.362 0.911 0.660 0.871 0.677 CB 1.553 9 residues pruned to eliminate duplicates L: 22 43.714 2.335 1.055 0.754 1.000 0.667 CB 1.585 13 residues pruned to eliminate duplicates M: 58 67.003 2.517 1.175 0.599 0.877 0.614 CB 1.681 58 residues pruned to eliminate duplicates N: 20 50.170 2.336 0.997 0.935 1.000 0.684 CA 1.719 20 residues pruned to eliminate duplicates O: 84 56.748 2.318 0.858 0.440 0.916 0.590 CB 1.681 84 residues pruned to eliminate duplicates P: 20 41.718 2.331 0.603 0.945 1.000 0.842 CA 1.772 19 residues pruned to eliminate duplicates Q: 19 51.917 2.434 0.979 0.941 1.000 0.556 CB 1.763 19 residues pruned to eliminate duplicates R: 19 50.855 2.451 0.851 0.956 1.000 0.722 CA 1.814 19 residues pruned to eliminate duplicates S: 27 35.084 2.467 1.009 0.478 0.846 0.500 CB 1.678 27 residues pruned to eliminate duplicates T: 20 56.064 2.358 1.227 0.938 1.000 0.947 CB 1.704 20 residues pruned to eliminate duplicates U: 6 12.312 2.203 0.742 0.806 0.800 0.600 CA 1.374 6 residues pruned to eliminate duplicates V: 14 25.494 2.198 1.323 0.524 0.769 0.615 C 1.759 14 residues pruned to eliminate duplicates W: 32 53.597 2.309 1.171 0.711 0.968 0.581 CB 1.639 22 residues pruned to eliminate duplicates X: 42 52.421 2.274 1.017 0.650 0.927 0.415 CB 1.674 32 residues pruned to eliminate duplicates Y: 46 49.418 2.245 1.073 0.611 0.933 0.511 CB 1.526 46 residues pruned to eliminate duplicates Z: 32 28.670 2.361 1.035 0.245 0.903 0.548 CB 1.594 32 residues pruned to eliminate duplicates Z: 66 41.667 2.235 1.051 0.415 0.862 0.508 CB 1.429 66 residues pruned to eliminate duplicates Z: 21 47.025 2.325 1.158 0.885 0.950 0.750 CB 1.593 21 residues pruned to eliminate duplicates Z: 13 12.407 2.053 0.779 0.563 0.750 0.500 CB 1.230 13 residues pruned to eliminate duplicates Z: 17 30.310 2.343 0.862 0.715 0.938 0.688 CB 1.525 17 residues pruned to eliminate duplicates Z: 21 55.423 2.343 1.245 0.934 1.000 0.900 CB 1.642 21 residues pruned to eliminate duplicates Z: 21 59.595 2.334 1.413 0.907 1.000 0.700 CB 1.682 21 residues pruned to eliminate duplicates Z: 78 53.527 2.358 0.896 0.435 0.883 0.610 CB 1.653 78 residues pruned to eliminate duplicates Z: 9 19.428 2.115 1.386 0.487 0.875 0.500 CB 1.576 9 residues pruned to eliminate duplicates Z: 13 19.275 2.417 0.644 0.626 0.833 0.500 CB 1.493 13 residues pruned to eliminate duplicates Z: 20 53.789 2.387 1.287 0.942 0.947 0.789 CB 1.655 20 residues pruned to eliminate duplicates Z: 19 46.287 2.434 0.730 0.927 1.000 0.722 CB 1.815 19 residues pruned to eliminate duplicates Z: 17 30.823 2.472 1.278 0.539 0.938 0.688 CB 1.406 17 residues pruned to eliminate duplicates Z: 19 47.239 2.443 0.758 0.953 1.000 0.667 CA 1.785 19 residues pruned to eliminate duplicates Z: 31 48.057 2.492 1.142 0.621 0.900 0.500 CB 1.629 31 residues pruned to eliminate duplicates Z: 42 42.009 2.224 1.126 0.514 0.902 0.610 CB 1.516 42 residues pruned to eliminate duplicates Z: 24 34.923 2.181 0.947 0.603 0.913 0.522 CA 1.702 24 residues pruned to eliminate duplicates Z: 16 24.732 2.335 1.004 0.409 0.867 0.467 CB 1.734 16 residues pruned to eliminate duplicates Z: 19 56.310 2.431 1.107 0.955 1.000 0.500 CA 1.781 19 residues pruned to eliminate duplicates Z: 10 11.602 2.308 1.111 0.286 0.556 0.333 CB 1.817 10 residues pruned to eliminate duplicates Z: 34 47.028 2.343 1.196 0.616 0.879 0.515 CB 1.623 34 residues pruned to eliminate duplicates Z: 20 48.943 2.331 1.197 0.889 0.947 0.579 CB 1.666 20 residues pruned to eliminate duplicates Z: 21 53.307 2.312 1.326 0.926 1.000 0.650 CB 1.555 21 residues pruned to eliminate duplicates Z: 19 53.171 2.461 1.063 0.941 0.944 0.778 CA 1.815 19 residues pruned to eliminate duplicates Z: 17 25.947 2.511 0.978 0.349 0.875 0.688 CB 1.759 17 residues pruned to eliminate duplicates Z: 66 46.536 2.350 0.977 0.377 0.923 0.615 CB 1.535 67 residues pruned to eliminate duplicates Z: 17 28.813 2.283 0.559 0.785 0.938 0.750 CA 1.680 17 residues pruned to eliminate duplicates Z: 98 69.765 2.389 0.886 0.562 0.918 0.557 CB 1.613 98 residues pruned to eliminate duplicates Z: 20 53.183 2.330 1.052 0.957 1.000 0.737 CB 1.751 20 residues pruned to eliminate duplicates Z: 18 15.704 2.018 0.592 0.555 0.824 0.706 CB 1.363 18 residues pruned to eliminate duplicates Z: 15 12.954 1.990 0.454 0.500 0.929 0.357 CB 1.289 15 residues pruned to eliminate duplicates Z: 8 8.644 1.736 0.692 0.315 1.000 0.429 O 1.366 8 residues pruned to eliminate duplicates Z: 17 31.168 2.301 0.458 0.827 1.000 0.812 CA 1.751 17 residues pruned to eliminate duplicates Z: 16 31.748 2.306 0.535 0.811 1.000 0.467 CB 1.767 16 residues pruned to eliminate duplicates Z: 27 45.612 2.493 1.042 0.641 0.885 0.692 CB 1.741 27 residues pruned to eliminate duplicates Z: 24 28.679 2.178 0.966 0.637 0.870 0.478 CB 1.413 24 residues pruned to eliminate duplicates Z: 26 46.571 2.436 1.350 0.600 0.880 0.600 CB 1.681 26 residues pruned to eliminate duplicates Z: 46 38.851 2.241 0.832 0.535 0.889 0.511 CB 1.533 46 residues pruned to eliminate duplicates Z: 16 27.107 2.307 0.356 0.803 1.000 0.733 CA 1.717 16 residues pruned to eliminate duplicates Z: 18 25.881 2.141 0.267 0.824 1.000 0.706 CB 1.747 18 residues pruned to eliminate duplicates Z: 21 54.065 2.335 1.155 0.922 1.000 0.950 CB 1.690 21 residues pruned to eliminate duplicates Z: 18 45.248 2.454 1.255 0.915 0.882 0.647 CB 1.588 18 residues pruned to eliminate duplicates Z: 36 24.931 1.979 0.689 0.484 0.886 0.600 CB 1.446 41 residues pruned to eliminate duplicates Z: 20 51.207 2.320 1.005 0.930 1.000 0.789 CA 1.767 20 residues pruned to eliminate duplicates Z: 9 21.996 2.145 0.895 0.841 0.875 0.750 CB 1.631 9 residues pruned to eliminate duplicates Z: 10 17.653 2.046 0.738 0.744 0.889 0.556 CA 1.496 Z: 19 58.857 2.444 1.203 0.949 1.000 0.611 CB 1.778 19 residues pruned to eliminate duplicates Z: 23 45.342 2.437 1.242 0.629 0.864 0.545 CB 1.814 23 residues pruned to eliminate duplicates Z: 18 27.922 2.236 0.534 0.768 0.941 0.529 CB 1.654 18 residues pruned to eliminate duplicates Z: 6 14.559 2.274 0.656 0.784 1.000 1.000 CA 1.346 6 residues pruned to eliminate duplicates Z: 17 27.115 2.112 0.365 0.926 1.000 0.812 CB 1.649 17 residues pruned to eliminate duplicates Z: 20 51.653 2.412 1.227 0.923 0.947 0.632 CB 1.636 20 residues pruned to eliminate duplicates Z: 16 30.301 2.340 0.477 0.806 1.000 0.867 CA 1.733 16 residues pruned to eliminate duplicates Z: 25 22.901 1.932 0.843 0.550 0.917 0.625 CB 1.364 23 residues pruned to eliminate duplicates Z: 93 71.070 2.394 0.888 0.572 0.946 0.707 CB 1.618 93 residues pruned to eliminate duplicates Z: 16 29.692 2.333 0.355 0.848 1.000 0.933 CB 1.799 16 residues pruned to eliminate duplicates Z: 92 69.176 2.427 0.972 0.578 0.890 0.560 CB 1.580 92 residues pruned to eliminate duplicates Z: 158 67.499 2.224 0.871 0.445 0.873 0.548 CB 1.569 158 residues pruned to eliminate duplicates Z: 21 36.969 2.271 0.515 0.936 1.000 0.800 CA 1.673 21 residues pruned to eliminate duplicates Z: 76 57.734 2.278 0.842 0.555 0.947 0.573 CB 1.591 76 residues pruned to eliminate duplicates Z: 8 18.037 2.162 0.757 0.645 0.857 0.714 CB 1.829 8 residues pruned to eliminate duplicates Z: 9 22.374 2.225 0.846 0.879 0.875 0.875 CB 1.596 9 residues pruned to eliminate duplicates Z: 13 17.069 1.975 0.368 0.724 0.917 0.750 CB 1.625 13 residues pruned to eliminate duplicates Z: 18 26.827 2.188 0.316 0.814 1.000 0.824 CB 1.720 18 residues pruned to eliminate duplicates Z: 65 45.566 2.404 0.798 0.340 0.922 0.562 CB 1.702 65 residues pruned to eliminate duplicates Z: 7 15.056 1.924 0.853 0.846 1.000 0.833 CA 1.281 7 residues pruned to eliminate duplicates Z: 86 70.047 2.465 0.973 0.574 0.871 0.553 CB 1.672 86 residues pruned to eliminate duplicates Z: 25 40.471 2.228 1.097 0.768 0.917 0.542 CB 1.521 25 residues pruned to eliminate duplicates Z: 32 55.351 2.387 1.180 0.705 0.935 0.581 CB 1.694 32 residues pruned to eliminate duplicates Z: 17 26.077 2.155 0.451 0.862 0.938 0.688 CB 1.633 17 residues pruned to eliminate duplicates Z: 107 69.235 2.324 0.958 0.554 0.877 0.604 CB 1.597 107 residues pruned to eliminate duplicates Z: 10 18.533 2.072 0.806 0.709 0.889 0.667 CA 1.535 10 residues pruned to eliminate duplicates Z: 22 26.451 2.185 0.710 0.717 0.952 0.714 CB 1.333 22 residues pruned to eliminate duplicates Z: 11 20.517 2.004 0.669 0.801 1.000 0.800 CA 1.491 10 residues pruned to eliminate duplicates Z: 17 22.642 2.164 0.391 0.785 0.938 0.750 CB 1.562 17 residues pruned to eliminate duplicates Z: 93 85.718 2.499 1.100 0.580 0.913 0.543 CB 1.727 93 residues pruned to eliminate duplicates Z: 49 38.370 2.146 1.041 0.476 0.917 0.542 CB 1.414 41 residues pruned to eliminate duplicates Z: 132 68.018 2.267 0.929 0.435 0.931 0.595 CB 1.560 132 residues pruned to eliminate duplicates Z: 12 14.917 1.827 0.609 0.788 0.909 0.909 CB 1.307 12 residues pruned to eliminate duplicates Z: 43 34.198 2.195 0.874 0.458 0.952 0.595 CB 1.405 43 residues pruned to eliminate duplicates Z: 17 24.527 2.156 0.306 0.844 1.000 0.688 CB 1.621 17 residues pruned to eliminate duplicates Z: 21 47.130 2.322 1.121 0.904 1.000 0.700 CB 1.524 21 residues pruned to eliminate duplicates Z: 18 27.392 2.254 0.350 0.789 1.000 0.706 CB 1.694 18 residues pruned to eliminate duplicates Z: 18 41.087 2.438 0.629 0.948 1.000 0.765 CA 1.733 18 residues pruned to eliminate duplicates Z: 17 26.092 2.155 0.488 0.854 0.938 0.625 CB 1.601 17 residues pruned to eliminate duplicates Z: 31 27.935 2.263 1.042 0.377 0.867 0.633 CB 1.452 31 residues pruned to eliminate duplicates Z: 10 14.439 1.978 0.534 0.673 0.778 0.667 N 1.739 10 residues pruned to eliminate duplicates Z: 11 16.189 2.022 0.579 0.752 0.900 0.700 CA 1.423 11 residues pruned to eliminate duplicates Z: 10 17.353 1.975 0.872 0.700 0.889 0.778 CA 1.467 10 residues pruned to eliminate duplicates Z: 20 58.333 2.453 1.279 0.932 1.000 0.842 CB 1.672 20 residues pruned to eliminate duplicates Z: 18 23.495 2.082 0.291 0.859 1.000 0.647 CB 1.560 18 residues pruned to eliminate duplicates Z: 84 78.816 2.499 1.070 0.599 0.880 0.614 CB 1.731 84 residues pruned to eliminate duplicates Z: 80 56.396 2.338 0.886 0.427 0.937 0.633 CB 1.657 80 residues pruned to eliminate duplicates Z: 41 29.376 2.123 0.710 0.443 0.900 0.375 CB 1.508 11 residues pruned to eliminate duplicates Z: 8 16.962 2.143 0.581 0.826 0.857 0.857 CA 1.665 8 residues pruned to eliminate duplicates Z: 32 22.317 1.975 0.622 0.457 0.839 0.516 CB 1.559 24 residues pruned to eliminate duplicates Z: 108 76.381 2.321 1.053 0.566 0.963 0.636 CB 1.510 108 residues pruned to eliminate duplicates Z: 33 22.920 1.967 0.570 0.527 0.906 0.656 CB 1.410 33 residues pruned to eliminate duplicates Z: 54 41.086 2.129 1.045 0.429 0.981 0.566 CB 1.422 54 residues pruned to eliminate duplicates Z: 27 33.447 2.500 1.165 0.315 0.846 0.577 CB 1.759 27 residues pruned to eliminate duplicates Z: 28 53.214 2.436 1.243 0.726 0.889 0.704 CB 1.719 28 residues pruned to eliminate duplicates Z: 8 18.131 2.078 0.568 0.878 1.000 0.714 CB 1.526 8 residues pruned to eliminate duplicates Z: 6 5.340 1.846 0.312 0.609 0.800 0.600 CB 1.111 6 residues pruned to eliminate duplicates Z: 12 7.520 1.912 -0.142 0.516 0.909 0.364 CB 1.496 Z: 14 11.257 1.757 0.714 0.388 0.923 0.615 CB 1.264 14 residues pruned to eliminate duplicates Z: 10 19.578 2.057 0.663 0.894 0.889 0.444 CB 1.539 10 residues pruned to eliminate duplicates Z: 28 21.846 2.049 0.494 0.567 0.963 0.741 CB 1.337 28 residues pruned to eliminate duplicates Z: 24 15.257 2.005 0.981 0.213 0.913 0.522 CB 1.230 24 residues pruned to eliminate duplicates Z: 49 39.445 2.163 1.062 0.460 0.938 0.583 CB 1.419 49 residues pruned to eliminate duplicates Z: 17 27.284 2.029 0.442 0.933 1.000 0.875 CA 1.627 17 residues pruned to eliminate duplicates Z: 10 17.914 2.096 0.738 0.781 0.778 0.667 CB 1.646 10 residues pruned to eliminate duplicates Z: 6 5.291 1.737 0.119 0.825 0.800 0.800 CA 1.148 6 residues pruned to eliminate duplicates Z: 9 4.720 1.799 0.050 0.476 0.625 0.375 O 1.447 Z: 27 52.864 2.476 1.321 0.659 0.962 0.615 CB 1.619 27 residues pruned to eliminate duplicates Z: 22 11.273 1.873 0.286 0.446 0.857 0.524 CB 1.260 34 residues pruned to eliminate duplicates Z: 10 15.866 2.039 1.158 0.754 0.778 0.667 CB 1.232 10 residues pruned to eliminate duplicates Z: 52 73.308 2.529 1.140 0.647 0.980 0.706 CB 1.686 52 residues pruned to eliminate duplicates Z: 8 9.374 2.136 0.426 0.736 0.714 0.571 CA 1.317 8 residues pruned to eliminate duplicates Z: 34 52.449 2.318 1.118 0.691 0.970 0.424 CB 1.610 34 residues pruned to eliminate duplicates Z: 16 24.761 2.121 0.391 0.901 1.000 0.533 CB 1.546 16 residues pruned to eliminate duplicates Z: 7 20.581 2.234 0.789 0.819 1.000 0.833 CB 1.594 7 residues pruned to eliminate duplicates Z: 19 40.922 2.376 0.929 0.719 1.000 0.667 CA 1.727 19 residues pruned to eliminate duplicates Z: 83 51.665 2.184 0.758 0.525 0.939 0.622 CB 1.544 83 residues pruned to eliminate duplicates Z: 14 26.191 2.129 0.759 0.707 0.923 0.692 CA 1.741 14 residues pruned to eliminate duplicates Z: 50 49.156 2.428 0.789 0.551 0.898 0.469 CB 1.713 50 residues pruned to eliminate duplicates Z: 44 19.721 1.782 0.503 0.468 0.884 0.535 CB 1.312 44 residues pruned to eliminate duplicates Z: 9 26.350 2.265 1.142 0.879 0.875 0.875 CB 1.592 9 residues pruned to eliminate duplicates Z: 74 72.830 2.506 1.294 0.530 0.849 0.671 CB 1.695 74 residues pruned to eliminate duplicates Z: 9 23.356 2.047 1.064 0.826 1.000 0.500 CB 1.474 9 residues pruned to eliminate duplicates Z: 32 29.407 2.151 0.938 0.526 0.903 0.645 CB 1.368 32 residues pruned to eliminate duplicates Z: 20 53.899 2.298 1.339 0.960 0.947 0.684 CB 1.663 20 residues pruned to eliminate duplicates Z: 6 4.959 2.227 -0.319 0.520 0.800 0.400 CB 1.792 9 residues pruned to eliminate duplicates Z: 9 16.156 1.918 0.784 0.822 0.875 0.750 CB 1.443 9 residues pruned to eliminate duplicates Z: 86 56.970 2.344 0.827 0.425 0.929 0.612 CB 1.678 86 residues pruned to eliminate duplicates Z: 16 26.273 2.115 0.642 0.850 0.867 0.600 CB 1.670 16 residues pruned to eliminate duplicates Z: 9 23.277 2.064 0.857 0.865 1.000 0.875 CB 1.573 9 residues pruned to eliminate duplicates Z: 9 23.460 2.237 0.893 0.911 1.000 0.875 CB 1.388 9 residues pruned to eliminate duplicates Z: 8 20.745 2.221 0.893 0.727 0.857 0.857 CB 1.773 8 residues pruned to eliminate duplicates Z: 59 65.788 2.508 1.212 0.559 0.862 0.552 CB 1.706 59 residues pruned to eliminate duplicates Z: 63 50.607 2.317 0.745 0.487 0.935 0.613 CB 1.722 63 residues pruned to eliminate duplicates Z: 34 59.633 2.316 1.428 0.731 0.939 0.758 CB 1.596 34 residues pruned to eliminate duplicates Z: 6 2.267 1.546 0.177 0.683 0.800 0.600 CB 0.589 Z: 19 48.685 2.451 0.841 0.945 1.000 0.833 CA 1.760 19 residues pruned to eliminate duplicates Z: 47 57.997 2.448 1.093 0.627 0.957 0.696 CB 1.548 47 residues pruned to eliminate duplicates Z: 35 32.306 2.261 0.785 0.443 0.882 0.529 CB 1.649 35 residues pruned to eliminate duplicates Z: 20 49.235 2.387 1.185 0.926 0.947 0.789 CB 1.603 20 residues pruned to eliminate duplicates Z: 20 55.814 2.381 1.297 0.929 1.000 0.632 CB 1.638 20 residues pruned to eliminate duplicates Z: 42 23.655 2.104 0.661 0.365 0.854 0.512 CB 1.431 42 residues pruned to eliminate duplicates Z: 47 40.627 2.397 1.159 0.358 0.826 0.522 CB 1.634 47 residues pruned to eliminate duplicates Z: 36 60.032 2.495 1.150 0.644 0.943 0.714 CB 1.753 36 residues pruned to eliminate duplicates Z: 18 44.521 2.395 0.897 0.938 1.000 0.765 CB 1.653 18 residues pruned to eliminate duplicates Z: 17 29.313 2.195 0.818 0.600 1.000 0.500 CA 1.669 17 residues pruned to eliminate duplicates Z: 62 74.001 2.520 1.198 0.586 0.934 0.738 CB 1.685 62 residues pruned to eliminate duplicates Z: 8 19.443 2.193 1.227 0.722 0.857 0.714 CB 1.437 8 residues pruned to eliminate duplicates Z: 12 14.887 1.846 0.561 0.892 0.909 0.909 CB 1.231 12 residues pruned to eliminate duplicates Z: 13 12.352 1.881 0.490 0.522 0.917 0.500 CB 1.357 13 residues pruned to eliminate duplicates Z: 18 19.062 2.091 0.509 0.493 0.941 0.588 CB 1.567 18 residues pruned to eliminate duplicates Z: 64 50.091 2.361 0.740 0.449 0.937 0.571 CB 1.729 64 residues pruned to eliminate duplicates Z: 51 29.371 2.035 0.671 0.416 0.860 0.500 CB 1.550 51 residues pruned to eliminate duplicates Z: 9 8.032 2.110 -0.164 0.686 0.750 0.625 O 1.810 Z: 17 25.660 2.064 0.473 0.918 0.938 0.750 CA 1.587 17 residues pruned to eliminate duplicates Z: 21 24.467 2.183 0.759 0.494 0.850 0.600 CB 1.687 21 residues pruned to eliminate duplicates Z: 39 46.344 2.280 1.030 0.581 0.921 0.658 CB 1.632 39 residues pruned to eliminate duplicates Z: 18 26.996 2.077 0.618 0.845 0.941 0.529 CB 1.538 18 residues pruned to eliminate duplicates Z: 45 32.017 2.132 0.688 0.436 0.909 0.500 CB 1.576 45 residues pruned to eliminate duplicates Z: 17 23.455 2.118 0.471 0.846 0.875 0.625 CB 1.598 17 residues pruned to eliminate duplicates Z: 23 24.552 2.087 0.828 0.547 0.864 0.500 CB 1.517 23 residues pruned to eliminate duplicates Z: 10 5.898 1.834 0.029 0.524 0.778 0.444 O 1.308 6 residues pruned to eliminate duplicates Z: 9 21.515 2.451 0.952 0.510 0.875 0.500 CB 1.799 9 residues pruned to eliminate duplicates Z: 9 6.408 1.648 0.492 0.478 0.750 0.500 CA 1.257 9 residues pruned to eliminate duplicates Z: 47 61.678 2.486 1.013 0.674 0.935 0.739 CB 1.656 47 residues pruned to eliminate duplicates Z: 19 34.699 2.377 0.418 0.939 1.000 0.889 CA 1.686 19 residues pruned to eliminate duplicates Z: 19 44.331 2.402 0.757 0.941 1.000 0.778 CB 1.718 19 residues pruned to eliminate duplicates Z: 70 45.951 2.157 0.838 0.605 0.855 0.580 CB 1.477 70 residues pruned to eliminate duplicates Z: 19 32.704 2.462 1.088 0.448 0.944 0.667 CB 1.675 19 residues pruned to eliminate duplicates Z: 9 12.909 1.819 0.493 0.750 0.875 0.875 CA 1.537 9 residues pruned to eliminate duplicates Z: 12 13.706 1.831 0.915 0.445 0.818 0.545 N 1.524 Z: 41 31.876 2.120 0.717 0.460 0.900 0.550 CB 1.603 41 residues pruned to eliminate duplicates Z: 17 24.138 2.105 0.460 0.882 0.938 0.625 CB 1.516 17 residues pruned to eliminate duplicates Z: 14 12.100 1.791 0.205 0.887 1.000 0.846 CB 1.121 14 residues pruned to eliminate duplicates Z: 34 25.369 2.091 0.578 0.473 0.879 0.545 CB 1.565 34 residues pruned to eliminate duplicates Z: 14 13.149 1.781 0.316 0.874 0.923 0.846 CB 1.227 14 residues pruned to eliminate duplicates Z: 8 3.553 1.732 -0.092 0.238 0.857 0.429 CB 1.350 8 residues pruned to eliminate duplicates Z: 14 16.002 1.792 0.508 0.864 1.000 0.846 CB 1.204 14 residues pruned to eliminate duplicates Z: 22 22.558 2.054 0.984 0.558 0.905 0.714 CB 1.262 22 residues pruned to eliminate duplicates Z: 23 38.044 2.256 0.958 0.734 1.000 0.682 CB 1.487 23 residues pruned to eliminate duplicates Z: 16 26.430 2.394 1.098 0.393 0.867 0.600 CB 1.756 16 residues pruned to eliminate duplicates Z: 34 28.355 2.045 0.744 0.469 0.939 0.515 CB 1.521 34 residues pruned to eliminate duplicates Z: 28 22.470 2.010 0.858 0.466 0.852 0.481 CB 1.408 28 residues pruned to eliminate duplicates Z: 22 42.060 2.224 1.109 0.711 0.952 0.619 CA 1.697 22 residues pruned to eliminate duplicates Z: 16 27.528 2.136 0.388 0.934 1.000 0.800 CB 1.672 16 residues pruned to eliminate duplicates Z: 14 12.765 1.775 0.285 0.855 1.000 0.769 CB 1.145 14 residues pruned to eliminate duplicates Z: 13 12.532 2.055 0.694 0.250 0.917 0.583 CB 1.511 13 residues pruned to eliminate duplicates Z: 8 8.826 1.662 0.549 0.853 1.000 0.714 CB 0.958 8 residues pruned to eliminate duplicates Z: 18 39.382 2.481 0.506 0.944 1.000 0.941 CA 1.770 18 residues pruned to eliminate duplicates Z: 25 34.410 2.513 0.982 0.305 0.958 0.583 CB 1.828 25 residues pruned to eliminate duplicates Z: 20 57.086 2.407 1.348 0.931 1.000 0.684 CB 1.619 20 residues pruned to eliminate duplicates Z: 17 22.808 2.112 0.570 0.833 0.812 0.562 CB 1.588 17 residues pruned to eliminate duplicates Z: 42 40.523 2.219 1.019 0.494 0.951 0.488 CB 1.495 42 residues pruned to eliminate duplicates Z: 16 29.396 2.095 0.750 0.897 0.933 0.733 CB 1.588 16 residues pruned to eliminate duplicates Z: 64 48.872 2.350 0.960 0.337 0.952 0.603 CB 1.676 64 residues pruned to eliminate duplicates Z: 58 51.087 2.429 0.981 0.542 0.860 0.509 CB 1.570 58 residues pruned to eliminate duplicates Z: 92 56.978 2.299 0.941 0.411 0.912 0.593 CB 1.612 92 residues pruned to eliminate duplicates Z: 66 43.677 2.333 0.968 0.335 0.877 0.538 CB 1.613 66 residues pruned to eliminate duplicates Z: 65 48.285 2.374 1.054 0.328 0.906 0.531 CB 1.650 65 residues pruned to eliminate duplicates Z: 9 13.139 2.114 -0.023 0.671 1.000 0.750 O 1.922 9 residues pruned to eliminate duplicates Z: 6 5.084 1.848 0.173 0.712 0.800 0.400 CB 1.081 6 residues pruned to eliminate duplicates Z: 26 24.062 2.165 0.934 0.427 0.920 0.520 CB 1.347 26 residues pruned to eliminate duplicates Z: 16 15.335 1.963 0.677 0.420 0.867 0.533 CB 1.509 16 residues pruned to eliminate duplicates Z: 9 10.911 1.996 0.583 0.764 0.750 0.625 CB 1.288 9 residues pruned to eliminate duplicates Z: 90 70.482 2.408 0.949 0.565 0.921 0.506 CB 1.623 90 residues pruned to eliminate duplicates Z: 10 10.384 1.965 1.030 0.405 0.778 0.667 CB 1.232 10 residues pruned to eliminate duplicates Z: 19 16.431 2.022 0.612 0.470 0.944 0.556 CB 1.297 19 residues pruned to eliminate duplicates Z: 48 35.701 2.164 0.741 0.541 0.894 0.489 CB 1.486 48 residues pruned to eliminate duplicates Z: 8 9.114 2.066 0.359 0.795 0.714 0.571 CA 1.326 8 residues pruned to eliminate duplicates Z: 16 17.447 2.244 1.089 0.481 0.733 0.533 CB 1.335 16 residues pruned to eliminate duplicates Z: 14 12.166 1.901 0.672 0.530 0.769 0.615 CB 1.340 14 residues pruned to eliminate duplicates Z: 42 41.921 2.221 1.089 0.508 0.927 0.659 CB 1.510 42 residues pruned to eliminate duplicates Z: 6 2.605 1.668 0.043 0.296 0.800 0.600 CA 1.052 Z: 64 48.175 2.274 0.710 0.489 0.937 0.651 CB 1.684 64 residues pruned to eliminate duplicates Z: 32 20.035 2.080 0.622 0.418 0.806 0.387 CB 1.440 32 residues pruned to eliminate duplicates Z: 17 7.949 1.835 0.345 0.404 0.688 0.312 CB 1.296 17 residues pruned to eliminate duplicates Z: 9 8.475 1.721 0.258 0.911 1.000 1.000 CB 0.981 9 residues pruned to eliminate duplicates Z: 15 14.731 2.010 0.716 0.292 0.929 0.643 C 1.551 15 residues pruned to eliminate duplicates Z: 21 9.016 1.681 0.441 0.425 0.850 0.550 CB 1.059 13 residues pruned to eliminate duplicates Z: 9 21.170 2.232 0.593 0.844 1.000 0.875 CB 1.566 9 residues pruned to eliminate duplicates Z: 16 12.243 2.138 0.591 0.389 0.667 0.333 CB 1.568 26 residues pruned to eliminate duplicates Z: 12 16.498 2.114 0.710 0.529 1.000 0.727 CB 1.337 12 residues pruned to eliminate duplicates Z: 18 25.587 2.080 0.589 0.843 0.882 0.412 CB 1.584 18 residues pruned to eliminate duplicates Z: 13 17.588 1.838 0.700 0.925 1.000 1.000 CB 1.141 13 residues pruned to eliminate duplicates Z: 12 10.546 1.764 0.499 0.411 0.909 0.636 CB 1.451 12 residues pruned to eliminate duplicates Z: 10 16.344 1.953 0.553 0.874 1.000 0.889 CA 1.308 10 residues pruned to eliminate duplicates Z: 22 34.216 2.251 0.968 0.706 0.952 0.619 CB 1.467 22 residues pruned to eliminate duplicates Z: 19 61.851 2.513 1.439 0.949 1.000 0.833 CB 1.641 19 residues pruned to eliminate duplicates Z: 31 26.889 2.019 0.562 0.616 0.967 0.700 CB 1.443 31 residues pruned to eliminate duplicates Z: 46 32.956 2.213 0.586 0.547 0.867 0.533 CB 1.542 46 residues pruned to eliminate duplicates Z: 18 19.477 2.147 0.776 0.586 0.882 0.588 CB 1.293 18 residues pruned to eliminate duplicates Z: 46 34.327 2.132 0.638 0.471 0.956 0.556 CB 1.579 56 residues pruned to eliminate duplicates Z: 11 9.520 1.849 0.721 0.520 0.800 0.500 CB 1.159 11 residues pruned to eliminate duplicates Z: 15 14.574 1.749 0.414 0.861 1.000 0.857 CB 1.157 15 residues pruned to eliminate duplicates Z: 21 46.289 2.326 1.012 0.913 0.950 0.800 CB 1.648 21 residues pruned to eliminate duplicates Z: 8 6.404 1.489 0.348 0.845 0.857 0.429 CA 1.046 8 residues pruned to eliminate duplicates Z: 35 27.532 1.999 0.673 0.601 0.882 0.588 CB 1.454 35 residues pruned to eliminate duplicates Z: 7 7.391 1.735 0.358 0.763 0.833 0.333 CB 1.216 7 residues pruned to eliminate duplicates Z: 47 69.079 2.518 1.087 0.644 1.000 0.717 CB 1.693 47 residues pruned to eliminate duplicates Z: 38 29.000 2.112 0.688 0.445 0.892 0.514 CB 1.587 38 residues pruned to eliminate duplicates Z: 36 21.301 1.990 0.824 0.390 0.829 0.600 CB 1.345 36 residues pruned to eliminate duplicates Z: 12 11.383 1.756 0.695 0.486 1.000 0.727 CB 1.170 12 residues pruned to eliminate duplicates Z: 41 31.483 2.154 0.791 0.452 0.875 0.500 CB 1.549 41 residues pruned to eliminate duplicates Z: 37 31.711 2.197 0.695 0.471 0.889 0.500 CB 1.644 38 residues pruned to eliminate duplicates Z: 27 30.299 2.540 0.996 0.255 0.923 0.615 CB 1.683 27 residues pruned to eliminate duplicates Z: 9 6.916 2.088 0.449 0.576 0.875 0.500 CB 0.859 9 residues pruned to eliminate duplicates Z: 52 30.448 2.077 0.578 0.490 0.922 0.627 CB 1.426 52 residues pruned to eliminate duplicates Z: 8 11.565 2.031 0.140 0.776 1.000 0.571 O 1.480 Z: 31 39.134 2.357 1.005 0.603 0.867 0.533 CB 1.581 31 residues pruned to eliminate duplicates Z: 26 56.726 2.484 1.163 0.700 0.920 0.560 CB 1.913 26 residues pruned to eliminate duplicates Z: 9 5.489 1.876 -0.196 0.578 0.875 0.625 CB 1.363 Z: 12 13.749 1.837 0.631 0.886 0.909 0.636 CB 1.098 12 residues pruned to eliminate duplicates Z: 141 66.191 2.251 0.804 0.471 0.921 0.636 CB 1.540 141 residues pruned to eliminate duplicates Z: 21 49.842 2.335 1.200 0.888 0.900 0.650 CB 1.737 21 residues pruned to eliminate duplicates Z: 7 3.975 1.564 0.214 0.541 0.833 0.500 N 0.985 Z: 9 4.298 1.762 0.533 0.380 0.625 0.625 CB 1.023 Z: 10 16.363 1.980 0.906 0.725 0.778 0.667 CA 1.517 10 residues pruned to eliminate duplicates Z: 11 15.481 1.922 0.332 0.778 1.000 0.900 CA 1.496 11 residues pruned to eliminate duplicates Z: 31 35.955 2.521 1.126 0.313 0.833 0.667 CB 1.809 31 residues pruned to eliminate duplicates Z: 16 16.967 1.746 0.688 0.845 1.000 0.733 CB 1.105 16 residues pruned to eliminate duplicates Z: 11 6.359 1.535 0.454 0.531 0.800 0.600 CB 1.093 Z: 6 3.543 1.841 0.172 0.410 0.800 0.400 CB 1.008 6 residues pruned to eliminate duplicates Z: 8 16.282 2.230 0.605 0.848 0.857 0.857 CB 1.488 8 residues pruned to eliminate duplicates Z: 11 5.342 1.614 0.236 0.681 0.900 0.500 CB 0.797 11 residues pruned to eliminate duplicates Z: 77 52.664 2.308 0.939 0.441 0.882 0.553 CB 1.627 77 residues pruned to eliminate duplicates Z: 73 67.567 2.365 1.124 0.573 0.944 0.569 CB 1.565 73 residues pruned to eliminate duplicates Z: 54 43.918 2.223 0.675 0.543 0.962 0.623 CB 1.614 54 residues pruned to eliminate duplicates Z: 10 5.605 1.675 -0.104 0.486 0.889 0.111 CB 1.420 Z: 10 5.946 2.048 0.051 0.554 0.889 0.444 CB 0.983 10 residues pruned to eliminate duplicates Z: 69 49.052 2.218 0.737 0.476 0.941 0.544 CB 1.680 115 residues pruned to eliminate duplicates Z: 16 31.696 2.368 0.456 0.817 1.000 0.733 CA 1.801 16 residues pruned to eliminate duplicates Z: 17 29.720 2.302 1.030 0.581 1.000 0.688 CB 1.471 17 residues pruned to eliminate duplicates Z: 19 11.286 1.798 0.483 0.457 0.889 0.556 CB 1.173 19 residues pruned to eliminate duplicates Z: 130 87.256 2.395 0.975 0.573 0.930 0.690 CB 1.627 130 residues pruned to eliminate duplicates Z: 7 8.703 2.100 -0.244 0.830 1.000 0.667 C 1.683 7 residues pruned to eliminate duplicates Z: 50 32.633 2.057 0.724 0.471 0.898 0.531 CB 1.506 Z: 8 9.544 2.096 1.399 0.346 0.857 0.714 CB 0.989 8 residues pruned to eliminate duplicates Z: 12 6.872 1.467 0.564 0.465 0.818 0.636 CB 1.145 Z: 46 29.505 2.115 0.622 0.448 0.867 0.556 CB 1.560 49 residues pruned to eliminate duplicates Z: 19 29.376 2.325 1.421 0.465 0.889 0.722 CB 1.433 19 residues pruned to eliminate duplicates Z: 6 3.015 1.618 0.404 0.491 0.800 0.600 CB 0.749 Z: 37 32.649 2.188 0.750 0.487 0.917 0.500 CB 1.572 37 residues pruned to eliminate duplicates Z: 28 10.099 1.536 0.477 0.329 0.889 0.481 CB 1.164 23 residues pruned to eliminate duplicates Z: 13 21.100 2.501 0.729 0.553 0.833 0.500 CB 1.605 13 residues pruned to eliminate duplicates Z: 85 55.378 2.355 0.857 0.406 0.905 0.583 CB 1.684 85 residues pruned to eliminate duplicates Z: 49 41.098 2.287 1.180 0.545 0.854 0.667 CB 1.333 49 residues pruned to eliminate duplicates Z: 7 7.247 1.802 -0.080 0.803 1.000 1.000 CB 1.369 Z: 10 12.851 2.141 0.684 0.413 0.889 0.444 CB 1.464 10 residues pruned to eliminate duplicates Z: 15 22.639 2.229 0.864 0.464 0.929 0.714 CB 1.627 15 residues pruned to eliminate duplicates Z: 21 14.084 1.972 0.435 0.417 0.850 0.550 CB 1.427 21 residues pruned to eliminate duplicates Z: 34 48.898 2.356 0.956 0.660 0.939 0.758 CB 1.696 34 residues pruned to eliminate duplicates Z: 26 16.581 1.878 0.714 0.470 0.880 0.480 CB 1.206 26 residues pruned to eliminate duplicates Z: 7 3.602 1.617 -0.313 0.792 1.000 0.667 CB 1.024 Z: 21 31.180 2.242 0.935 0.544 0.900 0.650 CB 1.711 21 residues pruned to eliminate duplicates Z: 11 5.654 1.510 0.246 0.491 0.900 0.500 CB 1.066 Z: 38 27.953 2.186 1.056 0.467 0.838 0.595 CB 1.261 38 residues pruned to eliminate duplicates Z: 162 72.751 2.275 0.822 0.477 0.894 0.590 CB 1.583 169 residues pruned to eliminate duplicates Z: 7 8.284 1.840 0.674 0.531 0.833 0.500 CA 1.278 7 residues pruned to eliminate duplicates Z: 54 43.135 2.417 1.010 0.300 0.887 0.509 CB 1.719 54 residues pruned to eliminate duplicates Z: 7 2.960 1.529 0.644 0.415 0.667 0.500 C 0.788 7 residues pruned to eliminate duplicates Z: 36 23.003 2.015 0.697 0.418 0.886 0.571 CB 1.398 43 residues pruned to eliminate duplicates Z: 57 36.648 2.213 0.623 0.456 0.911 0.589 CB 1.566 57 residues pruned to eliminate duplicates Z: 28 10.867 1.588 0.453 0.456 0.852 0.630 CB 1.113 29 residues pruned to eliminate duplicates Z: 17 28.054 2.191 0.643 0.838 0.938 0.562 CB 1.554 17 residues pruned to eliminate duplicates Z: 20 7.729 1.715 0.811 0.304 0.737 0.263 CB 0.963 20 residues pruned to eliminate duplicates Z: 32 41.433 2.234 1.030 0.621 0.935 0.710 CB 1.565 32 residues pruned to eliminate duplicates Z: 13 4.291 1.578 0.029 0.404 0.833 0.333 CB 1.013 Z: 6 10.882 1.748 0.959 0.737 1.000 1.000 CB 1.149 6 residues pruned to eliminate duplicates Z: 28 22.055 2.051 0.577 0.469 0.852 0.519 CB 1.590 28 residues pruned to eliminate duplicates Z: 36 54.671 2.372 1.116 0.672 0.971 0.629 CB 1.618 36 residues pruned to eliminate duplicates Z: 6 4.461 1.514 0.625 0.731 0.800 0.600 CB 0.823 6 residues pruned to eliminate duplicates Z: 63 59.265 2.429 1.158 0.551 0.919 0.661 CB 1.487 63 residues pruned to eliminate duplicates Z: 9 7.926 2.225 0.369 0.246 0.750 0.625 CB 1.644 9 residues pruned to eliminate duplicates Z: 14 14.767 1.710 0.653 0.825 1.000 0.615 CB 1.093 14 residues pruned to eliminate duplicates Z: 8 7.309 1.619 0.263 0.869 1.000 0.714 CB 0.987 8 residues pruned to eliminate duplicates Z: 17 36.037 2.249 0.984 0.800 1.000 0.625 CA 1.554 17 residues pruned to eliminate duplicates Z: 6 8.445 1.632 0.804 0.665 1.000 0.600 CB 1.102 9 residues pruned to eliminate duplicates Z: 12 20.765 2.226 0.659 0.570 0.909 0.727 CA 1.743 12 residues pruned to eliminate duplicates Z: 84 54.158 2.316 0.851 0.387 0.928 0.614 CB 1.684 84 residues pruned to eliminate duplicates Z: 15 17.209 2.095 0.777 0.578 0.929 0.500 CB 1.234 15 residues pruned to eliminate duplicates Z: 11 14.813 2.129 0.784 0.452 0.800 0.600 CB 1.620 11 residues pruned to eliminate duplicates Z: 18 52.760 2.402 1.285 0.947 0.941 0.294 CB 1.712 18 residues pruned to eliminate duplicates Z: 20 39.169 2.394 0.621 0.899 1.000 1.000 CA 1.654 20 residues pruned to eliminate duplicates Z: 115 68.190 2.334 0.815 0.571 0.895 0.553 CB 1.574 122 residues pruned to eliminate duplicates Z: 17 11.718 1.868 0.490 0.480 0.812 0.375 CB 1.321 17 residues pruned to eliminate duplicates Z: 10 14.166 1.963 0.615 0.450 1.000 0.667 CA 1.568 10 residues pruned to eliminate duplicates Z: 31 43.963 2.343 1.047 0.646 0.867 0.733 CB 1.685 31 residues pruned to eliminate duplicates Z: 8 9.719 1.770 0.570 0.813 0.857 0.714 CA 1.175 8 residues pruned to eliminate duplicates 6 1.159 1.561 0.098 0.366 0.400 0.400 N 0.872 ? Z: 45 27.361 1.929 0.717 0.543 0.909 0.636 CB 1.314 45 residues pruned to eliminate duplicates Z: 8 11.843 1.794 0.624 0.895 1.000 0.857 CB 1.102 8 residues pruned to eliminate duplicates Z: 84 51.198 2.289 0.838 0.424 0.904 0.542 CB 1.600 84 residues pruned to eliminate duplicates Z: 84 62.885 2.328 0.916 0.574 0.904 0.602 CB 1.595 84 residues pruned to eliminate duplicates Z: 48 37.361 2.154 0.849 0.520 0.872 0.596 CB 1.538 48 residues pruned to eliminate duplicates Z: 8 4.177 1.465 0.371 0.293 0.857 0.571 CA 1.157 6 1.347 1.384 0.500 0.300 0.600 0.200 O 0.604 ? Z: 75 53.571 2.242 0.782 0.516 0.932 0.568 CB 1.645 75 residues pruned to eliminate duplicates Z: 16 14.894 1.867 0.890 0.500 0.867 0.467 CB 1.258 16 residues pruned to eliminate duplicates Z: 18 13.787 2.019 0.565 0.378 0.824 0.353 CA 1.463 18 residues pruned to eliminate duplicates Z: 10 5.446 1.446 0.614 0.283 0.889 0.556 CB 1.118 10 residues pruned to eliminate duplicates Z: 18 27.110 2.088 0.541 0.887 0.941 0.529 CB 1.565 18 residues pruned to eliminate duplicates Z: 7 6.844 1.744 0.128 0.865 1.000 0.500 CB 1.041 7 residues pruned to eliminate duplicates Z: 7 6.460 1.736 0.492 0.345 1.000 0.500 CB 1.205 7 residues pruned to eliminate duplicates Z: 32 25.431 2.041 0.987 0.421 0.903 0.516 CB 1.355 32 residues pruned to eliminate duplicates Z: 10 14.487 2.102 0.775 0.649 0.889 0.778 CB 1.268 10 residues pruned to eliminate duplicates Z: 6 4.669 1.592 0.453 0.684 0.800 0.800 CA 0.953 6 residues pruned to eliminate duplicates Z: 35 33.734 2.228 0.570 0.591 0.912 0.676 CB 1.663 35 residues pruned to eliminate duplicates Z: 12 15.789 1.836 0.599 0.913 1.000 0.818 CB 1.148 12 residues pruned to eliminate duplicates Z: 10 9.229 1.581 0.725 0.443 1.000 0.444 CB 1.196 7 residues pruned to eliminate duplicates Z: 86 41.480 2.048 0.672 0.504 0.894 0.635 CB 1.463 86 residues pruned to eliminate duplicates 8 1.880 1.421 0.601 0.224 0.571 0.286 N 0.755 ? Z: 7 4.139 1.459 0.451 0.403 0.833 0.333 CB 1.061 Z: 23 24.765 2.176 0.774 0.478 0.864 0.591 CB 1.620 23 residues pruned to eliminate duplicates Z: 38 61.323 2.434 1.307 0.687 0.973 0.703 CB 1.554 38 residues pruned to eliminate duplicates Z: 8 17.215 2.017 0.835 0.834 1.000 0.714 CA 1.318 8 residues pruned to eliminate duplicates Z: 64 45.557 2.397 0.960 0.321 0.889 0.540 CB 1.674 64 residues pruned to eliminate duplicates Z: 14 12.907 1.718 0.479 0.863 1.000 0.846 CB 1.034 14 residues pruned to eliminate duplicates Z: 17 36.124 2.365 0.975 0.769 0.938 0.938 CB 1.625 17 residues pruned to eliminate duplicates Z: 10 9.880 2.019 -0.055 0.757 0.889 0.778 CB 1.544 7 residues pruned to eliminate duplicates Z: 29 21.946 2.118 0.656 0.549 0.786 0.643 CB 1.435 29 residues pruned to eliminate duplicates Z: 82 57.696 2.263 0.819 0.531 0.938 0.593 CB 1.609 82 residues pruned to eliminate duplicates Z: 12 5.367 1.560 0.460 0.485 0.818 0.455 CB 0.881 12 residues pruned to eliminate duplicates Z: 13 22.067 2.580 1.097 0.336 0.833 0.333 CB 1.691 13 residues pruned to eliminate duplicates Z: 7 8.300 1.661 0.972 0.672 0.833 0.667 CB 1.059 7 residues pruned to eliminate duplicates Z: 17 21.347 2.129 0.815 0.458 0.938 0.500 CB 1.538 18 residues pruned to eliminate duplicates Z: 12 15.936 1.860 0.551 0.918 1.000 0.818 CB 1.174 12 residues pruned to eliminate duplicates Z: 57 50.997 2.328 0.956 0.505 0.946 0.625 CB 1.573 57 residues pruned to eliminate duplicates Z: 25 26.117 1.984 0.837 0.510 0.917 0.625 CB 1.580 25 residues pruned to eliminate duplicates Z: 15 46.933 2.591 1.125 0.755 1.000 0.500 CB 1.815 15 residues pruned to eliminate duplicates Z: 9 6.560 1.875 0.111 0.598 0.750 0.625 CB 1.352 Z: 43 40.510 2.384 1.095 0.312 0.929 0.667 CB 1.659 43 residues pruned to eliminate duplicates Z: 6 9.214 1.944 0.752 0.426 1.000 1.000 CA 1.306 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 9.480 1.674 0.656 0.437 0.867 0.533 CB 1.087 24 residues pruned to eliminate duplicates Z: 20 37.435 2.388 0.542 0.871 1.000 0.789 CA 1.702 20 residues pruned to eliminate duplicates Z: 23 39.102 2.286 0.919 0.760 0.909 0.773 CB 1.659 23 residues pruned to eliminate duplicates Z: 19 37.094 2.407 0.619 0.862 1.000 0.889 CA 1.647 19 residues pruned to eliminate duplicates Z: 44 44.497 2.268 0.812 0.660 0.930 0.674 CB 1.531 44 residues pruned to eliminate duplicates Z: 55 44.347 2.155 0.834 0.606 0.889 0.593 CB 1.553 55 residues pruned to eliminate duplicates Z: 20 48.938 2.328 1.007 0.852 1.000 0.842 CB 1.777 20 residues pruned to eliminate duplicates Z: 20 48.809 2.404 0.976 0.847 1.000 0.684 CA 1.750 20 residues pruned to eliminate duplicates Z: 22 47.270 2.303 1.109 0.774 0.952 0.667 CB 1.750 22 residues pruned to eliminate duplicates Z: 23 36.628 2.138 1.033 0.777 0.955 0.636 CB 1.473 23 residues pruned to eliminate duplicates Z: 26 38.423 2.376 0.994 0.668 0.840 0.600 CB 1.653 26 residues pruned to eliminate duplicates Z: 20 46.958 2.376 1.020 0.855 0.947 0.526 CA 1.748 20 residues pruned to eliminate duplicates Z: 20 49.314 2.382 1.267 0.799 0.947 0.632 CB 1.702 20 residues pruned to eliminate duplicates Z: 75 57.431 2.256 0.826 0.586 0.959 0.514 CB 1.555 21 residues pruned to eliminate duplicates Z: 20 55.437 2.338 1.125 0.939 1.000 0.526 CB 1.778 20 residues pruned to eliminate duplicates Z: 22 43.747 2.313 1.145 0.790 0.857 0.524 CB 1.740 22 residues pruned to eliminate duplicates Z: 49 50.892 2.379 1.108 0.583 0.833 0.500 CB 1.623 49 residues pruned to eliminate duplicates Z: 20 52.960 2.394 1.267 0.827 0.947 0.526 CA 1.781 20 residues pruned to eliminate duplicates Z: 21 48.588 2.377 1.223 0.801 0.950 0.750 CB 1.663 21 residues pruned to eliminate duplicates Z: 40 60.250 2.342 1.072 0.716 0.949 0.538 CB 1.723 40 residues pruned to eliminate duplicates Z: 17 31.024 2.362 0.942 0.529 1.000 0.688 CB 1.644 17 residues pruned to eliminate duplicates Z: 20 25.461 2.096 0.947 0.480 0.895 0.526 CB 1.632 20 residues pruned to eliminate duplicates Z: 16 30.029 2.341 0.878 0.602 0.933 0.533 CA 1.716 16 residues pruned to eliminate duplicates Z: 82 74.045 2.383 1.032 0.627 0.926 0.605 CB 1.627 82 residues pruned to eliminate duplicates Z: 16 22.126 2.142 1.012 0.434 0.800 0.533 CA 1.775 16 residues pruned to eliminate duplicates Z: 26 29.480 2.125 1.197 0.432 0.840 0.480 CB 1.613 26 residues pruned to eliminate duplicates Z: 35 48.332 2.292 1.076 0.616 0.971 0.412 CB 1.608 35 residues pruned to eliminate duplicates Z: 11 19.059 2.177 0.985 0.514 0.900 0.300 CB 1.529 11 residues pruned to eliminate duplicates Z: 43 57.700 2.266 1.139 0.664 0.952 0.548 CB 1.657 43 residues pruned to eliminate duplicates Z: 25 29.985 2.225 0.806 0.577 0.875 0.458 CA 1.616 25 residues pruned to eliminate duplicates Z: 14 21.328 2.061 0.701 0.655 1.000 0.615 CA 1.461 14 residues pruned to eliminate duplicates Z: 20 33.180 2.215 1.000 0.615 0.947 0.684 CB 1.627 20 residues pruned to eliminate duplicates Z: 21 36.892 2.257 0.858 0.622 0.950 0.600 CB 1.846 21 residues pruned to eliminate duplicates Z: 18 21.473 2.071 0.884 0.558 0.882 0.529 CB 1.430 18 residues pruned to eliminate duplicates Z: 14 13.321 1.907 0.851 0.522 0.692 0.538 CB 1.480 14 residues pruned to eliminate duplicates Z: 13 15.766 1.857 0.835 0.596 0.833 0.583 CA 1.462 13 residues pruned to eliminate duplicates Z: 10 15.073 1.962 0.820 0.617 0.778 0.556 C 1.619 10 residues pruned to eliminate duplicates Z: 10 16.774 2.059 0.608 0.671 1.000 0.778 CB 1.442 10 residues pruned to eliminate duplicates Z: 20 9.968 1.741 0.557 0.500 0.684 0.579 CB 1.233 20 residues pruned to eliminate duplicates Z: 43 53.351 2.259 1.122 0.687 0.905 0.667 CB 1.600 43 residues pruned to eliminate duplicates Z: 17 17.005 1.950 0.797 0.491 0.750 0.562 CB 1.631 17 residues pruned to eliminate duplicates Z: 11 17.489 1.954 0.904 0.606 0.800 0.600 N 1.680 11 residues pruned to eliminate duplicates Z: 19 28.086 2.125 0.923 0.687 0.889 0.667 CB 1.535 19 residues pruned to eliminate duplicates Z: 9 17.493 2.045 0.630 0.716 1.000 0.875 CA 1.526 9 residues pruned to eliminate duplicates Z: 14 8.770 1.960 0.422 0.457 0.692 0.385 CB 1.317 23 residues pruned to eliminate duplicates Z: 12 18.892 2.102 0.769 0.601 0.909 0.545 CB 1.531 12 residues pruned to eliminate duplicates Z: 12 15.170 1.883 0.670 0.582 0.909 0.455 CB 1.478 12 residues pruned to eliminate duplicates Z: 9 23.589 2.203 0.676 0.704 1.000 0.875 CA 1.875 9 residues pruned to eliminate duplicates Z: 17 11.585 1.971 0.515 0.346 0.750 0.312 CB 1.529 17 residues pruned to eliminate duplicates Z: 99 83.281 2.467 0.979 0.624 0.918 0.582 CB 1.669 99 residues pruned to eliminate duplicates Z: 12 21.004 2.194 1.221 0.619 0.818 0.727 CB 1.421 12 residues pruned to eliminate duplicates Z: 13 17.459 2.105 0.908 0.625 0.833 0.583 CB 1.339 13 residues pruned to eliminate duplicates Z: 11 19.591 2.205 0.971 0.670 0.900 0.800 CB 1.353 11 residues pruned to eliminate duplicates Z: 8 21.471 2.374 0.878 0.679 1.000 0.714 CB 1.544 8 residues pruned to eliminate duplicates Z: 74 72.691 2.536 1.047 0.571 0.932 0.630 CB 1.643 74 residues pruned to eliminate duplicates Z: 110 75.552 2.396 0.918 0.589 0.899 0.550 CB 1.609 110 residues pruned to eliminate duplicates Z: 42 34.703 2.215 0.921 0.519 0.805 0.537 CB 1.553 42 residues pruned to eliminate duplicates Z: 28 35.550 2.313 0.994 0.551 0.963 0.593 CB 1.465 28 residues pruned to eliminate duplicates Z: 61 63.297 2.493 1.052 0.590 0.917 0.583 CB 1.599 61 residues pruned to eliminate duplicates Z: 12 20.832 2.086 1.109 0.712 0.909 0.818 CB 1.296 12 residues pruned to eliminate duplicates Z: 90 60.204 2.374 0.873 0.580 0.831 0.461 CB 1.598 90 residues pruned to eliminate duplicates Z: 80 71.124 2.472 0.908 0.608 0.899 0.582 CB 1.704 80 residues pruned to eliminate duplicates Z: 52 61.035 2.537 1.020 0.594 0.902 0.510 CB 1.690 52 residues pruned to eliminate duplicates Z: 49 62.915 2.553 1.149 0.553 0.896 0.625 CB 1.755 49 residues pruned to eliminate duplicates Z: 92 67.996 2.420 0.923 0.549 0.901 0.593 CB 1.620 92 residues pruned to eliminate duplicates Z: 82 76.214 2.511 1.083 0.601 0.877 0.617 CB 1.677 82 residues pruned to eliminate duplicates Z: 84 74.811 2.463 0.960 0.595 0.916 0.614 CB 1.697 84 residues pruned to eliminate duplicates Z: 66 74.673 2.610 1.118 0.558 0.908 0.538 CB 1.746 66 residues pruned to eliminate duplicates Z: 104 71.388 2.342 0.963 0.548 0.913 0.621 CB 1.600 104 residues pruned to eliminate duplicates Z: 86 77.517 2.457 1.063 0.609 0.906 0.576 CB 1.652 86 residues pruned to eliminate duplicates Z: 67 72.980 2.495 1.159 0.587 0.924 0.636 CB 1.660 67 residues pruned to eliminate duplicates Z: 98 75.704 2.404 1.005 0.549 0.918 0.577 CB 1.657 98 residues pruned to eliminate duplicates Z: 52 64.213 2.547 1.246 0.571 0.902 0.706 CB 1.628 52 residues pruned to eliminate duplicates Z: 99 72.348 2.377 1.005 0.555 0.908 0.531 CB 1.600 99 residues pruned to eliminate duplicates Z: 111 65.842 2.351 0.987 0.496 0.836 0.555 CB 1.613 111 residues pruned to eliminate duplicates Z: 80 79.067 2.481 1.012 0.617 0.937 0.557 CB 1.702 80 residues pruned to eliminate duplicates Z: 85 82.570 2.491 1.039 0.604 0.952 0.560 CB 1.687 85 residues pruned to eliminate duplicates Z: 75 70.603 2.422 0.944 0.602 0.905 0.581 CB 1.747 75 residues pruned to eliminate duplicates Z: 99 69.972 2.357 0.986 0.548 0.898 0.551 CB 1.605 99 residues pruned to eliminate duplicates Z: 98 67.802 2.397 0.926 0.557 0.866 0.588 CB 1.629 98 residues pruned to eliminate duplicates Z: 94 72.683 2.372 0.906 0.567 0.957 0.624 CB 1.632 94 residues pruned to eliminate duplicates Z: 85 78.221 2.494 1.114 0.582 0.905 0.583 CB 1.654 85 residues pruned to eliminate duplicates Z: 85 69.546 2.482 0.975 0.598 0.857 0.607 CB 1.644 85 residues pruned to eliminate duplicates Z: 110 75.782 2.378 0.967 0.537 0.917 0.633 CB 1.631 59 residues pruned to eliminate duplicates Z: 21 59.534 2.362 1.332 0.928 1.000 0.750 CB 1.692 21 residues pruned to eliminate duplicates Z: 139 82.048 2.406 0.912 0.560 0.906 0.514 CB 1.581 130 residues pruned to eliminate duplicates Z: 21 56.401 2.336 1.394 0.928 1.000 0.850 CB 1.579 21 residues pruned to eliminate duplicates Z: 55 66.734 2.515 1.069 0.561 0.926 0.574 CB 1.776 55 residues pruned to eliminate duplicates Z: 70 67.311 2.479 1.117 0.543 0.928 0.551 CB 1.596 70 residues pruned to eliminate duplicates Z: 86 63.270 2.354 0.890 0.566 0.894 0.565 CB 1.619 86 residues pruned to eliminate duplicates Z: 89 72.909 2.428 0.997 0.569 0.898 0.568 CB 1.670 89 residues pruned to eliminate duplicates Z: 66 73.402 2.573 1.200 0.545 0.892 0.631 CB 1.724 66 residues pruned to eliminate duplicates Z: 43 56.157 2.469 1.113 0.622 0.929 0.690 CB 1.594 43 residues pruned to eliminate duplicates Z: 111 74.824 2.386 0.952 0.545 0.900 0.582 CB 1.628 111 residues pruned to eliminate duplicates Z: 124 66.669 2.281 0.845 0.539 0.886 0.634 CB 1.551 124 residues pruned to eliminate duplicates Z: 92 83.452 2.473 1.019 0.607 0.934 0.626 CB 1.694 92 residues pruned to eliminate duplicates Z: 65 75.086 2.588 1.121 0.560 0.938 0.531 CB 1.721 65 residues pruned to eliminate duplicates Z: 85 65.844 2.358 0.838 0.582 0.929 0.619 CB 1.650 85 residues pruned to eliminate duplicates Z: 67 74.895 2.552 1.195 0.569 0.909 0.636 CB 1.694 67 residues pruned to eliminate duplicates Z: 93 72.757 2.381 0.892 0.586 0.946 0.652 CB 1.640 93 residues pruned to eliminate duplicates Z: 99 76.299 2.371 0.990 0.568 0.939 0.561 CB 1.629 99 residues pruned to eliminate duplicates Z: 84 76.572 2.465 1.039 0.600 0.916 0.651 CB 1.661 84 residues pruned to eliminate duplicates Z: 106 76.626 2.401 0.886 0.577 0.952 0.667 CB 1.610 106 residues pruned to eliminate duplicates Z: 63 75.291 2.544 1.153 0.578 0.935 0.677 CB 1.731 63 residues pruned to eliminate duplicates Z: 64 70.231 2.562 1.158 0.537 0.921 0.651 CB 1.676 64 residues pruned to eliminate duplicates Z: 60 56.577 2.444 0.970 0.523 0.881 0.593 CB 1.697 60 residues pruned to eliminate duplicates Z: 89 59.527 2.382 0.844 0.548 0.875 0.602 CB 1.575 89 residues pruned to eliminate duplicates Z: 87 78.838 2.484 0.984 0.604 0.919 0.593 CB 1.701 87 residues pruned to eliminate duplicates Z: 92 74.348 2.433 0.994 0.600 0.901 0.648 CB 1.621 104 residues pruned to eliminate duplicates Z: 57 59.679 2.498 1.030 0.538 0.911 0.643 CB 1.664 57 residues pruned to eliminate duplicates Z: 86 63.572 2.355 0.886 0.555 0.906 0.553 CB 1.625 86 residues pruned to eliminate duplicates Z: 65 79.466 2.586 1.214 0.565 0.953 0.578 CB 1.709 65 residues pruned to eliminate duplicates Z: 84 52.985 2.241 0.835 0.551 0.904 0.566 CB 1.489 84 residues pruned to eliminate duplicates Z: 75 38.209 2.117 0.564 0.513 0.878 0.527 CB 1.508 75 residues pruned to eliminate duplicates Z: 105 79.487 2.434 0.948 0.572 0.913 0.644 CB 1.679 105 residues pruned to eliminate duplicates Z: 84 70.736 2.380 0.954 0.587 0.940 0.675 CB 1.634 84 residues pruned to eliminate duplicates Z: 65 44.654 2.320 0.706 0.499 0.891 0.469 CB 1.585 65 residues pruned to eliminate duplicates Z: 51 38.317 2.197 0.748 0.542 0.920 0.480 CB 1.472 51 residues pruned to eliminate duplicates Z: 109 74.576 2.319 1.028 0.545 0.926 0.639 CB 1.577 109 residues pruned to eliminate duplicates Z: 105 75.948 2.380 1.036 0.559 0.933 0.567 CB 1.555 105 residues pruned to eliminate duplicates Z: 34 44.153 2.318 0.801 0.585 0.970 0.545 CB 1.749 34 residues pruned to eliminate duplicates Z: 113 67.092 2.320 0.858 0.543 0.911 0.589 CB 1.548 113 residues pruned to eliminate duplicates Z: 98 72.979 2.372 1.043 0.555 0.918 0.608 CB 1.580 98 residues pruned to eliminate duplicates Z: 85 62.190 2.350 0.914 0.567 0.881 0.583 CB 1.605 85 residues pruned to eliminate duplicates Z: 73 45.380 2.119 0.768 0.539 0.917 0.583 CB 1.499 73 residues pruned to eliminate duplicates Z: 83 80.819 2.480 1.053 0.614 0.927 0.634 CB 1.697 83 residues pruned to eliminate duplicates Z: 92 75.052 2.434 0.910 0.596 0.945 0.604 CB 1.635 92 residues pruned to eliminate duplicates Z: 100 77.669 2.403 1.066 0.563 0.949 0.657 CB 1.557 100 residues pruned to eliminate duplicates Z: 34 43.798 2.339 0.906 0.594 0.939 0.485 CB 1.664 34 residues pruned to eliminate duplicates Z: 33 43.078 2.361 0.847 0.635 0.938 0.500 CB 1.641 33 residues pruned to eliminate duplicates Z: 91 81.099 2.444 1.143 0.581 0.933 0.711 CB 1.617 91 residues pruned to eliminate duplicates Z: 80 76.814 2.471 1.017 0.606 0.924 0.696 CB 1.696 80 residues pruned to eliminate duplicates Z: 98 80.172 2.389 1.056 0.578 0.948 0.660 CB 1.620 98 residues pruned to eliminate duplicates Z: 72 38.466 2.078 0.649 0.482 0.915 0.620 CB 1.481 72 residues pruned to eliminate duplicates Z: 88 73.038 2.397 0.988 0.562 0.943 0.713 CB 1.641 88 residues pruned to eliminate duplicates Z: 38 36.842 2.245 0.724 0.561 0.919 0.514 CB 1.605 38 residues pruned to eliminate duplicates Z: 40 38.208 2.247 0.772 0.533 0.949 0.667 CB 1.568 40 residues pruned to eliminate duplicates Z: 44 32.975 2.181 0.657 0.508 0.884 0.651 CB 1.562 44 residues pruned to eliminate duplicates Z: 39 33.684 2.218 0.731 0.522 0.895 0.658 CB 1.557 39 residues pruned to eliminate duplicates Z: 100 77.317 2.376 0.967 0.575 0.960 0.677 CB 1.612 100 residues pruned to eliminate duplicates Z: 41 36.436 2.216 0.724 0.540 0.925 0.675 CB 1.568 41 residues pruned to eliminate duplicates Z: 48 35.689 2.153 0.681 0.534 0.915 0.574 CB 1.520 48 residues pruned to eliminate duplicates Z: 49 39.667 2.205 0.740 0.535 0.938 0.625 CB 1.538 49 residues pruned to eliminate duplicates Z: 49 42.673 2.204 0.776 0.515 0.938 0.500 CB 1.653 49 residues pruned to eliminate duplicates Z: 191 86.681 2.269 0.902 0.516 0.932 0.611 CB 1.540 191 residues pruned to eliminate duplicates Z: 133 89.077 2.396 1.003 0.563 0.947 0.652 CB 1.604 133 residues pruned to eliminate duplicates Z: 120 77.629 2.354 0.965 0.554 0.916 0.647 CB 1.594 120 residues pruned to eliminate duplicates Z: 42 35.882 2.208 0.822 0.484 0.951 0.512 CB 1.488 42 residues pruned to eliminate duplicates Z: 102 73.878 2.387 0.923 0.588 0.931 0.693 CB 1.582 102 residues pruned to eliminate duplicates Z: 16 20.554 2.123 0.662 0.662 0.867 0.600 CB 1.494 16 residues pruned to eliminate duplicates Z: 12 12.383 2.257 0.565 0.489 0.909 0.364 CB 1.176 12 residues pruned to eliminate duplicates Z: 104 77.068 2.401 1.032 0.565 0.942 0.612 CB 1.552 104 residues pruned to eliminate duplicates Z: 11 17.320 2.291 0.801 0.552 0.900 0.500 CB 1.402 11 residues pruned to eliminate duplicates Z: 27 20.383 2.003 0.798 0.474 0.885 0.500 CB 1.288 27 residues pruned to eliminate duplicates Z: 110 78.516 2.385 0.982 0.575 0.927 0.661 CB 1.597 110 residues pruned to eliminate duplicates Z: 12 20.888 2.280 0.908 0.557 0.909 0.545 CB 1.506 12 residues pruned to eliminate duplicates Z: 39 38.767 2.292 0.969 0.619 0.895 0.579 CB 1.392 39 residues pruned to eliminate duplicates Z: 28 46.673 2.467 1.146 0.587 0.926 0.556 CB 1.686 28 residues pruned to eliminate duplicates Z: 7 27.950 2.559 1.027 0.631 1.000 0.500 CA 1.945 7 residues pruned to eliminate duplicates Z: 13 27.844 2.379 1.191 0.605 0.833 0.583 CB 1.675 13 residues pruned to eliminate duplicates Z: 29 43.448 2.449 1.095 0.592 0.929 0.429 CB 1.579 29 residues pruned to eliminate duplicates Z: 30 45.653 2.394 1.189 0.633 0.897 0.552 CB 1.593 30 residues pruned to eliminate duplicates Z: 24 45.747 2.471 1.112 0.653 0.870 0.609 CA 1.824 24 residues pruned to eliminate duplicates Z: 30 45.887 2.493 1.003 0.643 0.862 0.483 CB 1.732 30 residues pruned to eliminate duplicates Z: 25 48.124 2.534 1.112 0.623 0.875 0.625 CB 1.869 25 residues pruned to eliminate duplicates Z: 25 56.095 2.587 1.283 0.646 0.917 0.583 CB 1.845 25 residues pruned to eliminate duplicates Z: 128 96.433 2.434 1.079 0.599 0.913 0.646 CB 1.685 128 residues pruned to eliminate duplicates Z: 33 44.794 2.357 1.100 0.572 0.906 0.594 CB 1.646 33 residues pruned to eliminate duplicates Z: 35 45.764 2.456 0.879 0.646 0.912 0.529 CB 1.628 35 residues pruned to eliminate duplicates Z: 19 39.767 2.400 1.070 0.732 0.944 0.611 CB 1.622 19 residues pruned to eliminate duplicates Z: 25 31.110 2.150 0.908 0.639 0.958 0.542 CB 1.419 25 residues pruned to eliminate duplicates Z: 23 52.623 2.572 1.301 0.658 0.864 0.545 CB 1.895 23 residues pruned to eliminate duplicates Z: 25 28.462 2.228 0.962 0.521 0.833 0.500 CB 1.562 25 residues pruned to eliminate duplicates Z: 39 45.237 2.310 1.109 0.609 0.842 0.579 CB 1.613 39 residues pruned to eliminate duplicates Z: 31 51.557 2.505 1.099 0.705 0.900 0.733 CB 1.650 31 residues pruned to eliminate duplicates Z: 27 45.536 2.353 1.143 0.649 0.885 0.615 CB 1.743 27 residues pruned to eliminate duplicates Z: 27 50.607 2.427 1.193 0.661 0.962 0.615 CB 1.671 27 residues pruned to eliminate duplicates Z: 30 47.171 2.381 1.187 0.648 0.897 0.586 CB 1.634 30 residues pruned to eliminate duplicates Z: 33 49.905 2.453 1.085 0.643 0.906 0.625 CB 1.666 33 residues pruned to eliminate duplicates Z: 12 7.574 1.948 0.436 0.227 0.818 0.455 CB 1.373 12 residues pruned to eliminate duplicates Z: 25 21.457 2.205 0.863 0.355 0.833 0.500 CB 1.497 25 residues pruned to eliminate duplicates Z: 35 20.492 2.005 0.409 0.490 0.882 0.765 CB 1.424 35 residues pruned to eliminate duplicates Z: 19 15.744 2.060 0.780 0.344 0.833 0.722 CB 1.439 19 residues pruned to eliminate duplicates Z: 45 38.371 2.215 0.710 0.599 0.932 0.795 CB 1.492 45 residues pruned to eliminate duplicates Z: 34 41.396 2.289 0.932 0.585 0.939 0.727 CB 1.599 34 residues pruned to eliminate duplicates Z: 34 22.222 1.988 0.590 0.501 0.909 0.667 CB 1.345 34 residues pruned to eliminate duplicates Z: 17 22.623 2.235 0.717 0.444 0.938 0.625 CB 1.665 17 residues pruned to eliminate duplicates Z: 16 22.455 2.318 0.654 0.451 0.933 0.667 CB 1.703 16 residues pruned to eliminate duplicates Z: 27 23.426 2.003 0.704 0.534 0.885 0.692 CB 1.471 27 residues pruned to eliminate duplicates Z: 32 22.101 1.972 0.644 0.587 0.935 0.613 CB 1.204 32 residues pruned to eliminate duplicates Z: 29 21.457 2.036 0.570 0.555 0.929 0.714 CB 1.295 29 residues pruned to eliminate duplicates Z: 46 27.760 1.949 0.698 0.495 0.889 0.644 CB 1.414 46 residues pruned to eliminate duplicates Z: 30 21.481 1.992 0.425 0.591 0.931 0.724 CB 1.384 30 residues pruned to eliminate duplicates Z: 150 93.477 2.352 0.942 0.586 0.960 0.658 CB 1.608 150 residues pruned to eliminate duplicates Z: 35 20.649 1.951 0.518 0.492 0.941 0.647 CB 1.281 35 residues pruned to eliminate duplicates Z: 40 24.812 1.950 0.512 0.507 0.949 0.667 CB 1.410 40 residues pruned to eliminate duplicates Z: 30 25.892 2.049 0.626 0.544 0.966 0.655 CB 1.431 30 residues pruned to eliminate duplicates Z: 147 68.172 2.252 0.893 0.458 0.884 0.589 CB 1.563 147 residues pruned to eliminate duplicates Z: 47 25.279 1.970 0.711 0.446 0.848 0.522 CB 1.378 47 residues pruned to eliminate duplicates Z: 150 74.851 2.301 0.889 0.474 0.899 0.564 CB 1.609 150 residues pruned to eliminate duplicates Z: 31 26.273 2.011 0.670 0.603 0.967 0.733 CB 1.340 31 residues pruned to eliminate duplicates Z: 47 46.794 2.204 0.961 0.613 0.957 0.717 CB 1.499 47 residues pruned to eliminate duplicates Z: 25 24.124 2.000 0.725 0.555 0.958 0.708 CB 1.412 25 residues pruned to eliminate duplicates Z: 32 21.270 1.984 0.722 0.505 0.871 0.613 CB 1.277 32 residues pruned to eliminate duplicates Z: 27 28.931 2.119 0.719 0.617 0.962 0.846 CB 1.450 27 residues pruned to eliminate duplicates Z: 34 22.550 1.965 0.544 0.564 0.939 0.606 CB 1.295 34 residues pruned to eliminate duplicates Z: 27 30.619 2.117 0.798 0.626 0.962 0.769 CB 1.456 27 residues pruned to eliminate duplicates Z: 28 24.669 2.064 0.675 0.606 0.889 0.778 CB 1.397 28 residues pruned to eliminate duplicates Z: 119 59.730 2.225 0.818 0.457 0.898 0.627 CB 1.580 119 residues pruned to eliminate duplicates Z: 42 21.719 1.882 0.595 0.522 0.902 0.634 CB 1.225 42 residues pruned to eliminate duplicates Z: 41 19.942 1.835 0.505 0.503 0.925 0.550 CB 1.231 41 residues pruned to eliminate duplicates Z: 40 24.339 1.944 0.579 0.500 0.923 0.615 CB 1.375 40 residues pruned to eliminate duplicates Z: 123 68.759 2.330 0.950 0.419 0.934 0.557 CB 1.596 123 residues pruned to eliminate duplicates Z: 7 5.031 1.508 0.587 0.335 0.833 0.333 CA 1.234 7 residues pruned to eliminate duplicates Z: 7 3.555 1.352 0.561 0.322 0.833 0.167 CB 1.003 7 residues pruned to eliminate duplicates Z: 34 20.774 1.947 0.763 0.426 0.879 0.576 CB 1.295 34 residues pruned to eliminate duplicates Z: 8 3.469 1.401 0.686 0.370 0.714 0.286 CB 0.894 8 residues pruned to eliminate duplicates Z: 91 43.927 2.104 0.633 0.507 0.922 0.544 CB 1.450 91 residues pruned to eliminate duplicates Z: 112 56.769 2.242 0.812 0.453 0.901 0.514 CB 1.544 112 residues pruned to eliminate duplicates Z: 124 68.454 2.327 0.947 0.434 0.919 0.537 CB 1.588 124 residues pruned to eliminate duplicates Z: 74 45.934 2.103 0.877 0.553 0.890 0.603 CB 1.454 74 residues pruned to eliminate duplicates Z: 61 40.146 2.294 0.688 0.457 0.867 0.533 CB 1.613 61 residues pruned to eliminate duplicates Z: 76 60.851 2.416 0.881 0.443 0.947 0.587 CB 1.732 76 residues pruned to eliminate duplicates Z: 117 54.635 2.222 0.756 0.444 0.897 0.621 CB 1.535 117 residues pruned to eliminate duplicates Z: 114 60.737 2.198 0.792 0.522 0.929 0.655 CB 1.527 114 residues pruned to eliminate duplicates Z: 131 64.830 2.298 0.870 0.425 0.900 0.577 CB 1.589 131 residues pruned to eliminate duplicates Z: 40 33.763 2.177 0.636 0.511 0.897 0.590 CB 1.672 40 residues pruned to eliminate duplicates Z: 88 60.344 2.374 0.843 0.440 0.908 0.563 CB 1.732 157 residues pruned to eliminate duplicates Z: 84 65.685 2.408 0.985 0.431 0.952 0.590 CB 1.701 84 residues pruned to eliminate duplicates Z: 75 58.454 2.386 0.819 0.445 0.946 0.595 CB 1.752 75 residues pruned to eliminate duplicates Z: 85 56.571 2.313 0.835 0.447 0.952 0.631 CB 1.613 85 residues pruned to eliminate duplicates Z: 68 48.576 2.223 0.733 0.464 0.970 0.612 CB 1.646 68 residues pruned to eliminate duplicates Z: 99 61.745 2.367 0.904 0.426 0.898 0.582 CB 1.664 99 residues pruned to eliminate duplicates Z: 122 73.123 2.346 0.971 0.451 0.926 0.579 CB 1.633 130 residues pruned to eliminate duplicates Z: 17 22.946 2.222 0.236 0.816 0.938 0.625 CA 1.693 17 residues pruned to eliminate duplicates Z: 59 51.364 2.337 0.740 0.503 0.966 0.655 CB 1.712 59 residues pruned to eliminate duplicates Z: 86 54.605 2.284 0.844 0.426 0.953 0.529 CB 1.594 86 residues pruned to eliminate duplicates Z: 131 65.516 2.278 0.905 0.438 0.900 0.577 CB 1.568 131 residues pruned to eliminate duplicates Z: 85 54.216 2.305 0.813 0.445 0.929 0.583 CB 1.614 85 residues pruned to eliminate duplicates Z: 59 41.122 2.256 0.748 0.446 0.897 0.534 CB 1.614 59 residues pruned to eliminate duplicates Z: 76 59.069 2.374 0.893 0.441 0.933 0.640 CB 1.729 76 residues pruned to eliminate duplicates Z: 123 73.810 2.352 0.947 0.450 0.934 0.590 CB 1.643 124 residues pruned to eliminate duplicates Z: 10 12.085 1.835 0.592 0.770 1.000 0.889 CB 1.086 10 residues pruned to eliminate duplicates Z: 131 72.843 2.294 0.985 0.440 0.954 0.585 CB 1.565 131 residues pruned to eliminate duplicates Z: 123 70.075 2.299 0.977 0.422 0.951 0.590 CB 1.593 123 residues pruned to eliminate duplicates Z: 64 44.949 2.395 0.971 0.336 0.873 0.492 CB 1.644 64 residues pruned to eliminate duplicates Z: 65 54.750 2.440 1.000 0.357 0.953 0.578 CB 1.716 65 residues pruned to eliminate duplicates Z: 85 55.331 2.314 0.888 0.420 0.929 0.536 CB 1.617 85 residues pruned to eliminate duplicates Z: 77 59.282 2.384 0.847 0.436 0.947 0.645 CB 1.741 77 residues pruned to eliminate duplicates Z: 116 71.272 2.339 0.942 0.462 0.939 0.557 CB 1.620 115 residues pruned to eliminate duplicates Z: 6 8.366 2.103 0.592 0.496 0.800 0.600 CB 1.402 6 residues pruned to eliminate duplicates Z: 113 58.324 2.215 0.779 0.453 0.929 0.536 CB 1.581 113 residues pruned to eliminate duplicates Z: 78 54.077 2.371 0.819 0.438 0.922 0.584 CB 1.652 78 residues pruned to eliminate duplicates Z: 57 45.804 2.408 1.039 0.287 0.929 0.607 CB 1.705 57 residues pruned to eliminate duplicates Z: 65 48.418 2.387 0.933 0.363 0.922 0.531 CB 1.649 65 residues pruned to eliminate duplicates Z: 122 58.259 2.219 0.804 0.448 0.909 0.570 CB 1.535 122 residues pruned to eliminate duplicates Z: 84 52.407 2.270 0.772 0.410 0.952 0.566 CB 1.650 84 residues pruned to eliminate duplicates Z: 79 60.029 2.358 0.922 0.432 0.962 0.615 CB 1.673 79 residues pruned to eliminate duplicates Z: 116 58.856 2.229 0.783 0.459 0.913 0.609 CB 1.577 116 residues pruned to eliminate duplicates Z: 102 54.437 2.242 0.834 0.412 0.911 0.535 CB 1.585 102 residues pruned to eliminate duplicates Z: 86 56.794 2.347 0.858 0.427 0.918 0.576 CB 1.661 86 residues pruned to eliminate duplicates Z: 86 52.257 2.342 0.865 0.376 0.894 0.518 CB 1.657 86 residues pruned to eliminate duplicates Z: 81 48.792 2.307 0.799 0.427 0.887 0.588 CB 1.597 81 residues pruned to eliminate duplicates Z: 78 59.103 2.389 0.910 0.436 0.909 0.610 CB 1.733 78 residues pruned to eliminate duplicates Z: 86 56.870 2.365 0.875 0.394 0.918 0.588 CB 1.695 86 residues pruned to eliminate duplicates Z: 59 50.645 2.303 0.776 0.496 0.948 0.621 CB 1.722 59 residues pruned to eliminate duplicates Z: 84 61.664 2.354 0.947 0.431 0.928 0.578 CB 1.710 84 residues pruned to eliminate duplicates Z: 81 52.200 2.355 0.940 0.372 0.900 0.613 CB 1.627 81 residues pruned to eliminate duplicates Z: 122 74.367 2.353 0.974 0.448 0.917 0.537 CB 1.674 122 residues pruned to eliminate duplicates Z: 9 13.231 2.154 1.279 0.480 0.750 0.500 CB 1.297 9 residues pruned to eliminate duplicates Z: 41 44.745 2.458 1.110 0.321 0.925 0.600 CB 1.797 41 residues pruned to eliminate duplicates Z: 135 67.752 2.265 0.989 0.408 0.910 0.522 CB 1.572 135 residues pruned to eliminate duplicates Z: 77 56.640 2.382 0.824 0.434 0.921 0.605 CB 1.739 77 residues pruned to eliminate duplicates Z: 91 57.071 2.316 0.887 0.437 0.911 0.611 CB 1.612 91 residues pruned to eliminate duplicates Z: 64 45.556 2.356 0.934 0.337 0.905 0.603 CB 1.664 64 residues pruned to eliminate duplicates Z: 85 58.661 2.381 0.852 0.418 0.940 0.619 CB 1.681 85 residues pruned to eliminate duplicates Z: 84 52.549 2.299 0.853 0.432 0.904 0.578 CB 1.607 84 residues pruned to eliminate duplicates Z: 82 52.838 2.368 0.769 0.415 0.914 0.580 CB 1.677 82 residues pruned to eliminate duplicates Z: 114 54.250 2.178 0.792 0.455 0.903 0.540 CB 1.516 114 residues pruned to eliminate duplicates Z: 134 66.747 2.266 0.940 0.428 0.910 0.594 CB 1.559 123 residues pruned to eliminate duplicates Z: 8 12.243 2.205 0.975 0.575 0.571 0.429 CA 1.731 8 residues pruned to eliminate duplicates Z: 113 57.596 2.249 0.775 0.446 0.911 0.598 CB 1.581 113 residues pruned to eliminate duplicates Z: 88 53.654 2.310 0.818 0.420 0.897 0.575 CB 1.661 88 residues pruned to eliminate duplicates Z: 65 47.085 2.403 0.918 0.317 0.922 0.531 CB 1.696 65 residues pruned to eliminate duplicates Z: 85 55.225 2.327 0.829 0.421 0.929 0.655 CB 1.655 85 residues pruned to eliminate duplicates Z: 41 37.984 2.445 1.097 0.309 0.900 0.600 CB 1.610 41 residues pruned to eliminate duplicates Z: 85 60.721 2.375 0.930 0.434 0.929 0.571 CB 1.667 85 residues pruned to eliminate duplicates Z: 20 25.372 2.475 0.956 0.231 0.947 0.684 CB 1.735 20 residues pruned to eliminate duplicates Z: 78 55.216 2.385 0.833 0.428 0.909 0.610 CB 1.706 78 residues pruned to eliminate duplicates Z: 19 23.552 2.226 1.110 0.284 0.944 0.667 CB 1.597 19 residues pruned to eliminate duplicates Z: 78 54.417 2.358 0.726 0.420 0.961 0.623 CB 1.723 78 residues pruned to eliminate duplicates Z: 47 40.948 2.467 0.981 0.323 0.891 0.500 CB 1.683 47 residues pruned to eliminate duplicates Z: 132 67.132 2.295 0.900 0.419 0.931 0.527 CB 1.572 132 residues pruned to eliminate duplicates Z: 20 21.296 2.211 0.891 0.270 0.895 0.526 CB 1.696 20 residues pruned to eliminate duplicates Z: 131 58.315 2.236 0.818 0.431 0.862 0.592 CB 1.569 131 residues pruned to eliminate duplicates Z: 139 68.679 2.267 0.968 0.426 0.928 0.565 CB 1.525 139 residues pruned to eliminate duplicates Z: 121 72.327 2.360 0.968 0.445 0.908 0.542 CB 1.656 121 residues pruned to eliminate duplicates Z: 59 45.789 2.261 1.017 0.410 0.914 0.552 CB 1.586 59 residues pruned to eliminate duplicates Z: 82 53.080 2.351 0.896 0.388 0.889 0.605 CB 1.675 82 residues pruned to eliminate duplicates Z: 21 24.275 2.277 0.907 0.362 0.900 0.550 CB 1.611 21 residues pruned to eliminate duplicates Z: 85 56.776 2.380 0.808 0.407 0.940 0.571 CB 1.688 85 residues pruned to eliminate duplicates Z: 85 58.468 2.398 0.837 0.413 0.940 0.595 CB 1.687 85 residues pruned to eliminate duplicates Z: 42 43.617 2.246 1.116 0.500 0.951 0.585 CB 1.507 42 residues pruned to eliminate duplicates Z: 54 38.008 2.144 1.062 0.414 0.943 0.547 CB 1.369 54 residues pruned to eliminate duplicates Z: 52 32.211 2.099 0.988 0.437 0.863 0.549 CB 1.338 52 residues pruned to eliminate duplicates Z: 49 36.804 2.142 1.083 0.461 0.854 0.521 CB 1.451 49 residues pruned to eliminate duplicates Z: 58 48.043 2.314 1.137 0.420 0.912 0.544 CB 1.533 58 residues pruned to eliminate duplicates Z: 103 54.629 2.285 0.955 0.369 0.912 0.559 CB 1.529 103 residues pruned to eliminate duplicates Z: 43 37.915 2.223 1.024 0.461 0.905 0.595 CB 1.496 43 residues pruned to eliminate duplicates Z: 49 40.971 2.153 1.032 0.472 0.979 0.583 CB 1.421 49 residues pruned to eliminate duplicates Z: 42 42.088 2.237 0.963 0.505 0.976 0.537 CB 1.526 52 residues pruned to eliminate duplicates Z: 10 22.729 2.061 0.891 0.864 0.889 0.667 CA 1.604 10 residues pruned to eliminate duplicates Z: 64 47.925 2.247 1.044 0.431 0.937 0.635 CB 1.507 57 residues pruned to eliminate duplicates Z: 11 17.196 2.082 0.798 0.673 0.900 0.700 CB 1.376 11 residues pruned to eliminate duplicates Z: 50 39.546 2.137 1.108 0.467 0.918 0.633 CB 1.412 50 residues pruned to eliminate duplicates Z: 24 33.560 2.331 1.083 0.460 0.913 0.609 CB 1.644 24 residues pruned to eliminate duplicates Z: 117 73.993 2.341 0.941 0.461 0.957 0.543 CB 1.645 117 residues pruned to eliminate duplicates Z: 52 33.531 2.100 0.914 0.438 0.882 0.549 CB 1.411 52 residues pruned to eliminate duplicates Z: 38 25.035 2.042 0.944 0.380 0.892 0.568 CB 1.321 38 residues pruned to eliminate duplicates Z: 40 42.171 2.288 1.154 0.508 0.897 0.538 CB 1.515 40 residues pruned to eliminate duplicates Z: 40 46.974 2.279 1.197 0.524 0.974 0.564 CB 1.506 40 residues pruned to eliminate duplicates Z: 40 41.074 2.275 1.193 0.518 0.872 0.487 CB 1.486 40 residues pruned to eliminate duplicates Z: 103 55.460 2.284 0.988 0.369 0.922 0.520 CB 1.510 103 residues pruned to eliminate duplicates Z: 41 42.008 2.253 1.118 0.532 0.900 0.675 CB 1.499 41 residues pruned to eliminate duplicates Z: 64 37.903 2.207 0.953 0.416 0.857 0.603 CB 1.412 64 residues pruned to eliminate duplicates Z: 28 28.461 2.207 1.071 0.480 0.926 0.444 CB 1.320 28 residues pruned to eliminate duplicates Z: 56 41.972 2.191 0.717 0.534 0.945 0.655 CB 1.539 56 residues pruned to eliminate duplicates Z: 130 69.034 2.320 0.912 0.439 0.915 0.581 CB 1.595 130 residues pruned to eliminate duplicates Z: 133 61.613 2.267 0.851 0.419 0.894 0.568 CB 1.556 133 residues pruned to eliminate duplicates Z: 58 45.762 2.281 1.021 0.449 0.895 0.614 CB 1.549 58 residues pruned to eliminate duplicates Z: 47 31.759 2.161 0.846 0.433 0.848 0.565 CB 1.484 47 residues pruned to eliminate duplicates Z: 49 42.460 2.176 1.138 0.478 0.938 0.688 CB 1.437 49 residues pruned to eliminate duplicates Z: 49 35.026 2.110 0.926 0.460 0.938 0.667 CB 1.383 49 residues pruned to eliminate duplicates Z: 50 37.022 2.142 1.066 0.439 0.878 0.673 CB 1.450 50 residues pruned to eliminate duplicates Z: 49 37.481 2.152 1.010 0.460 0.917 0.688 CB 1.421 49 residues pruned to eliminate duplicates Z: 52 33.898 2.085 0.977 0.428 0.922 0.627 CB 1.347 52 residues pruned to eliminate duplicates Z: 50 35.691 2.133 1.033 0.451 0.878 0.531 CB 1.409 50 residues pruned to eliminate duplicates Z: 49 42.318 2.173 1.114 0.473 0.979 0.688 CB 1.396 49 residues pruned to eliminate duplicates Z: 9 12.788 1.724 0.621 0.874 1.000 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 44 38.598 2.194 1.041 0.461 0.930 0.581 CB 1.471 44 residues pruned to eliminate duplicates Z: 57 36.453 2.128 1.006 0.416 0.875 0.607 CB 1.424 57 residues pruned to eliminate duplicates Z: 135 65.475 2.239 0.915 0.435 0.910 0.590 CB 1.550 135 residues pruned to eliminate duplicates Z: 130 69.961 2.318 0.965 0.436 0.915 0.620 CB 1.580 130 residues pruned to eliminate duplicates Z: 130 66.461 2.314 0.859 0.425 0.915 0.550 CB 1.608 130 residues pruned to eliminate duplicates Z: 51 39.483 2.195 0.987 0.436 0.940 0.620 CB 1.455 51 residues pruned to eliminate duplicates Z: 64 46.817 2.228 1.104 0.416 0.921 0.635 CB 1.492 64 residues pruned to eliminate duplicates Z: 58 33.322 2.055 0.937 0.444 0.877 0.596 CB 1.339 58 residues pruned to eliminate duplicates Z: 15 6.609 1.590 0.412 0.356 0.857 0.571 CB 1.072 6 residues pruned to eliminate duplicates Z: 7 2.048 1.431 0.356 0.247 0.667 0.333 CB 0.865 Z: 11 22.651 2.241 1.006 0.642 0.900 0.500 CA 1.550 4 residues pruned to eliminate duplicates Z: 11 22.498 2.143 1.149 0.666 0.900 0.600 CA 1.473 11 residues pruned to eliminate duplicates Z: 38 30.583 2.145 0.715 0.459 0.865 0.514 CB 1.649 14 residues pruned to eliminate duplicates Z: 11 24.384 2.077 0.775 0.840 1.000 0.400 CB 1.561 11 residues pruned to eliminate duplicates Z: 47 30.625 2.086 0.789 0.414 0.848 0.522 CB 1.561 38 residues pruned to eliminate duplicates Z: 11 25.360 2.049 1.062 0.792 1.000 0.600 CA 1.469 11 residues pruned to eliminate duplicates Z: 37 30.363 2.219 0.772 0.461 0.806 0.528 CB 1.663 37 residues pruned to eliminate duplicates Z: 46 36.014 2.147 0.695 0.486 0.933 0.578 CB 1.602 47 residues pruned to eliminate duplicates Z: 12 17.696 2.070 0.774 0.665 0.818 0.455 CA 1.525 12 residues pruned to eliminate duplicates Z: 42 37.290 2.149 0.826 0.482 0.951 0.463 CB 1.589 41 residues pruned to eliminate duplicates Z: 7 8.079 1.789 0.694 0.525 1.000 0.500 CB 1.062 7 residues pruned to eliminate duplicates Z: 37 33.374 2.204 0.831 0.454 0.889 0.472 CB 1.625 37 residues pruned to eliminate duplicates Z: 38 31.114 2.201 0.708 0.465 0.865 0.541 CB 1.631 38 residues pruned to eliminate duplicates Z: 57 32.961 2.054 0.806 0.433 0.893 0.554 CB 1.426 59 residues pruned to eliminate duplicates Z: 7 9.142 2.048 0.466 0.488 1.000 0.500 CA 1.258 7 residues pruned to eliminate duplicates Z: 38 33.854 2.173 0.842 0.460 0.892 0.459 CB 1.624 38 residues pruned to eliminate duplicates Z: 33 32.750 2.261 0.781 0.481 0.875 0.562 CA 1.674 33 residues pruned to eliminate duplicates Z: 41 32.618 2.150 0.819 0.429 0.925 0.500 CB 1.534 41 residues pruned to eliminate duplicates Z: 55 33.385 2.071 0.717 0.445 0.907 0.593 CB 1.490 55 residues pruned to eliminate duplicates Z: 37 34.178 2.195 0.827 0.458 0.917 0.472 CB 1.617 37 residues pruned to eliminate duplicates Z: 51 29.758 2.056 0.687 0.408 0.880 0.500 CB 1.519 51 residues pruned to eliminate duplicates Z: 37 29.549 2.167 0.669 0.463 0.861 0.472 CA 1.642 37 residues pruned to eliminate duplicates Z: 55 31.980 2.064 0.669 0.468 0.889 0.463 CB 1.469 55 residues pruned to eliminate duplicates Z: 37 34.529 2.182 0.792 0.484 0.944 0.472 CB 1.583 37 residues pruned to eliminate duplicates Z: 51 29.259 2.069 0.578 0.417 0.900 0.580 CB 1.535 51 residues pruned to eliminate duplicates Z: 49 31.659 2.105 0.692 0.432 0.896 0.542 CB 1.538 49 residues pruned to eliminate duplicates Z: 37 30.419 2.209 0.714 0.478 0.889 0.500 CB 1.540 37 residues pruned to eliminate duplicates Z: 52 33.640 2.063 0.812 0.407 0.902 0.510 CB 1.541 52 residues pruned to eliminate duplicates Z: 43 33.047 2.124 0.736 0.460 0.905 0.548 CB 1.592 43 residues pruned to eliminate duplicates Z: 37 33.774 2.203 0.765 0.445 0.944 0.556 CB 1.622 37 residues pruned to eliminate duplicates Z: 37 29.191 2.188 0.726 0.455 0.833 0.417 CB 1.618 37 residues pruned to eliminate duplicates Z: 40 31.495 2.159 0.791 0.438 0.897 0.538 CB 1.550 40 residues pruned to eliminate duplicates Z: 37 34.551 2.198 0.827 0.490 0.889 0.556 CB 1.630 37 residues pruned to eliminate duplicates 404 residues left after pruning, divided into chains as follows: A: 404 CC for partial structure against native data = 41.96 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.603, Connect. = 0.749 for dens.mod. cycle 1 = 0.302, Contrast = 0.697, Connect. = 0.777 for dens.mod. cycle 2 = 0.302, Contrast = 0.838, Connect. = 0.803 for dens.mod. cycle 3 = 0.302, Contrast = 0.859, Connect. = 0.806 for dens.mod. cycle 4 = 0.302, Contrast = 0.879, Connect. = 0.808 for dens.mod. cycle 5 = 0.302, Contrast = 0.887, Connect. = 0.810 for dens.mod. cycle 6 = 0.302, Contrast = 0.895, Connect. = 0.811 for dens.mod. cycle 7 = 0.302, Contrast = 0.898, Connect. = 0.813 for dens.mod. cycle 8 = 0.302, Contrast = 0.902, Connect. = 0.813 for dens.mod. cycle 9 = 0.302, Contrast = 0.903, Connect. = 0.814 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.95 - 3.12 - 2.72 - 2.46 - 2.28 - 2.15 - 2.04 - 1.95 - 1.87 - 1.81 0.751 0.775 0.780 0.775 0.792 0.798 0.786 0.760 0.729 0.701 0.882 0.903 0.914 0.899 0.911 0.917 0.901 0.880 0.859 0.834 N 5596 5597 5576 5777 5677 5343 5627 5567 5881 5108 Estimated mean FOM = 0.765 Pseudo-free CC = 77.66 % Best trace (cycle 1 with CC 43.73%) was saved as ./1vpb-1.8-parrot-noncs/1vpb-1.8-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.2 - Setup, data input and phasing 8.2 - FFTs and peak-searches 23.3 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1101.3 - Tripeptide search 16505.9 - Chain tracing 0.0 - NCS analysis 38.3 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 02:24:28 Total time: 17679.18 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 296.05 Used memory is bytes: 24991616