null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:20:24 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: ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.ins Phases from ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.phi Native data from ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.hkl Listing output to ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.lst Phases output to ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.phs Poly-Ala trace output to ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 64556 Reflections read from file ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.phi 64556 Reflections read from file ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.hkl 64556 Unique data, highest resolution = 1.510 Angstroms Anisotropic scaling: intensities multiplied by 0.000043h^2 +0.000043k^2 -0.000077l^2 +0.000000kl +0.000000hl +0.000043hk 9 Reflections with d > 1.710 and 0 in range 1.710 > d > 1.510 added Density sharpening factor set to 1.49 Fourier grid = 512 x 512 x 37 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.567 ** -f missing ?? ** = 0.300, Contrast = 0.528, Connect. = 0.826 for dens.mod. cycle 1 = 0.300, Contrast = 0.596, Connect. = 0.831 for dens.mod. cycle 2 = 0.300, Contrast = 0.699, Connect. = 0.844 for dens.mod. cycle 3 = 0.300, Contrast = 0.714, Connect. = 0.848 for dens.mod. cycle 4 = 0.300, Contrast = 0.725, Connect. = 0.850 for dens.mod. cycle 5 = 0.300, Contrast = 0.730, Connect. = 0.851 for dens.mod. cycle 6 = 0.300, Contrast = 0.735, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.737, Connect. = 0.852 for dens.mod. cycle 8 = 0.300, Contrast = 0.739, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.740, Connect. = 0.853 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2411 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 545 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 57.608 2.380 1.483 0.898 0.923 0.692 CB 1.481 B: 17 45.441 2.366 1.166 0.923 1.000 0.938 CB 1.558 C: 26 65.809 2.438 1.514 0.935 0.960 0.760 CB 1.559 D: 18 46.524 2.306 0.895 0.938 1.000 0.824 CA 1.795 E: 19 42.687 2.231 0.889 0.914 1.000 0.833 CB 1.689 F: 18 35.919 2.232 0.597 0.924 1.000 1.000 CB 1.716 18 residues pruned to eliminate duplicates G: 18 44.948 2.286 0.870 0.948 1.000 0.941 CB 1.761 18 residues pruned to eliminate duplicates H: 18 45.391 2.329 1.206 0.922 1.000 0.941 CB 1.507 I: 18 40.944 2.391 0.927 0.939 1.000 0.941 CB 1.498 18 residues pruned to eliminate duplicates J: 27 61.759 2.379 1.411 0.925 1.000 0.885 CB 1.481 27 residues pruned to eliminate duplicates K: 17 54.156 2.345 1.335 0.935 1.000 0.875 CB 1.724 19 residues pruned to eliminate duplicates L: 27 59.275 2.401 1.272 0.901 0.962 0.885 CB 1.582 26 residues pruned to eliminate duplicates M: 18 35.690 2.280 0.731 0.878 1.000 0.941 CB 1.592 18 residues pruned to eliminate duplicates N: 18 37.959 2.246 0.681 0.870 1.000 0.941 CB 1.780 O: 26 76.240 2.471 1.533 0.927 1.000 0.800 CB 1.707 27 residues pruned to eliminate duplicates P: 17 39.314 2.351 0.811 0.891 1.000 0.938 CB 1.659 18 residues pruned to eliminate duplicates Q: 17 50.683 2.356 1.191 0.915 1.000 0.938 CB 1.735 18 residues pruned to eliminate duplicates R: 18 43.545 2.309 0.954 0.945 1.000 0.941 CB 1.620 S: 18 44.238 2.210 1.008 0.907 1.000 0.824 CB 1.719 17 residues pruned to eliminate duplicates T: 19 50.393 2.318 1.278 0.892 1.000 0.722 CB 1.615 19 residues pruned to eliminate duplicates U: 18 44.431 2.304 0.841 0.937 1.000 0.882 CB 1.768 18 residues pruned to eliminate duplicates V: 17 49.210 2.342 1.124 0.931 1.000 0.938 CB 1.728 17 residues pruned to eliminate duplicates W: 17 38.879 2.276 1.109 0.895 0.938 0.938 CB 1.548 17 residues pruned to eliminate duplicates X: 17 48.587 2.393 1.333 0.903 1.000 0.875 CB 1.551 18 residues pruned to eliminate duplicates Y: 9 29.392 2.336 0.857 0.903 1.000 1.000 C 1.708 Z: 26 64.546 2.479 1.261 0.948 1.000 0.840 CB 1.590 27 residues pruned to eliminate duplicates Z: 16 53.561 2.373 1.355 0.950 1.000 1.000 CB 1.707 16 residues pruned to eliminate duplicates Z: 17 38.268 2.334 1.009 0.883 1.000 0.938 CB 1.475 16 residues pruned to eliminate duplicates Z: 18 43.237 2.343 0.871 0.938 1.000 0.882 CB 1.664 18 residues pruned to eliminate duplicates Z: 26 64.140 2.463 1.344 0.924 0.960 0.760 CB 1.626 26 residues pruned to eliminate duplicates Z: 17 43.872 2.380 1.063 0.921 1.000 0.875 CB 1.572 17 residues pruned to eliminate duplicates Z: 27 60.732 2.364 1.328 0.935 0.962 0.808 CB 1.568 27 residues pruned to eliminate duplicates Z: 9 15.038 1.957 0.508 0.797 0.875 0.500 N 1.587 Z: 27 63.150 2.368 1.560 0.900 0.923 0.846 CB 1.581 27 residues pruned to eliminate duplicates Z: 18 45.524 2.331 0.858 0.941 1.000 0.941 CB 1.770 18 residues pruned to eliminate duplicates Z: 17 41.330 2.300 0.785 0.922 1.000 1.000 CB 1.770 9 residues pruned to eliminate duplicates Z: 17 39.584 2.313 0.705 0.908 1.000 0.812 CB 1.782 17 residues pruned to eliminate duplicates Z: 9 15.855 2.139 0.439 0.842 0.875 0.500 C 1.551 Z: 18 43.962 2.128 1.273 0.923 0.941 0.824 CA 1.647 18 residues pruned to eliminate duplicates Z: 18 41.053 2.300 1.050 0.928 1.000 0.941 CB 1.479 18 residues pruned to eliminate duplicates Z: 19 45.340 2.234 0.913 0.906 1.000 0.889 CB 1.778 18 residues pruned to eliminate duplicates Z: 17 45.354 2.332 1.187 0.911 1.000 0.812 CB 1.575 17 residues pruned to eliminate duplicates Z: 17 34.429 2.349 0.604 0.922 1.000 0.938 CB 1.607 17 residues pruned to eliminate duplicates Z: 18 41.284 2.206 0.857 0.910 1.000 0.941 CA 1.734 18 residues pruned to eliminate duplicates Z: 17 53.598 2.334 1.273 0.943 1.000 0.938 CB 1.751 17 residues pruned to eliminate duplicates Z: 7 11.971 1.774 0.617 0.731 1.000 0.667 C 1.384 7 residues pruned to eliminate duplicates Z: 18 38.844 2.321 0.652 0.929 1.000 0.941 CB 1.720 18 residues pruned to eliminate duplicates Z: 16 46.235 2.365 1.043 0.933 1.000 0.867 CB 1.724 16 residues pruned to eliminate duplicates Z: 18 41.708 2.302 0.862 0.935 0.941 0.882 CA 1.748 18 residues pruned to eliminate duplicates Z: 26 69.388 2.481 1.250 0.919 1.000 0.880 CB 1.751 26 residues pruned to eliminate duplicates Z: 19 39.160 2.213 0.882 0.867 1.000 0.889 CB 1.622 19 residues pruned to eliminate duplicates Z: 17 39.707 2.242 0.774 0.934 1.000 1.000 CB 1.740 Z: 18 50.792 2.293 1.102 0.929 1.000 0.765 CB 1.789 17 residues pruned to eliminate duplicates Z: 19 58.221 2.224 1.360 0.932 1.000 0.778 CB 1.826 19 residues pruned to eliminate duplicates Z: 11 17.236 2.168 0.444 0.678 0.900 0.400 CA 1.643 9 residues pruned to eliminate duplicates Z: 25 81.541 2.464 1.686 0.953 1.000 0.792 CB 1.731 26 residues pruned to eliminate duplicates Z: 27 59.020 2.379 1.228 0.888 0.962 0.885 CB 1.636 26 residues pruned to eliminate duplicates Z: 15 27.868 2.115 0.665 0.929 1.000 0.929 CB 1.480 Z: 10 26.692 2.318 0.572 0.909 1.000 0.778 CB 1.733 Z: 17 36.666 2.352 0.927 0.905 0.938 0.812 CB 1.535 17 residues pruned to eliminate duplicates Z: 17 32.645 2.292 0.689 0.894 0.938 0.875 CB 1.614 17 residues pruned to eliminate duplicates Z: 18 33.334 2.377 0.658 0.928 0.941 0.824 CB 1.526 18 residues pruned to eliminate duplicates Z: 18 45.278 2.242 0.943 0.944 1.000 0.941 CB 1.746 18 residues pruned to eliminate duplicates Z: 18 46.180 2.314 1.001 0.922 0.941 0.882 CB 1.808 18 residues pruned to eliminate duplicates Z: 15 26.618 2.140 0.534 0.920 1.000 0.857 CB 1.525 15 residues pruned to eliminate duplicates Z: 17 36.360 2.364 0.741 0.904 1.000 0.938 CB 1.573 17 residues pruned to eliminate duplicates Z: 10 15.874 2.126 0.297 0.744 0.889 0.444 CA 1.735 11 residues pruned to eliminate duplicates Z: 15 28.123 2.123 0.664 0.943 1.000 0.857 CB 1.474 15 residues pruned to eliminate duplicates Z: 17 46.686 2.349 1.197 0.909 1.000 0.750 CB 1.606 17 residues pruned to eliminate duplicates Z: 16 51.293 2.347 1.207 0.941 1.000 0.933 CB 1.775 16 residues pruned to eliminate duplicates Z: 27 63.699 2.406 1.464 0.895 1.000 0.731 CB 1.510 27 residues pruned to eliminate duplicates Z: 16 52.700 2.392 1.185 0.943 1.000 0.933 CB 1.804 16 residues pruned to eliminate duplicates Z: 27 48.827 2.395 0.898 0.921 0.962 0.923 CB 1.542 27 residues pruned to eliminate duplicates Z: 19 38.048 2.417 0.774 0.896 0.944 0.833 CB 1.586 19 residues pruned to eliminate duplicates Z: 8 8.760 1.690 0.343 0.721 0.857 0.714 CA 1.394 8 residues pruned to eliminate duplicates Z: 6 7.789 1.896 0.102 0.709 1.000 0.800 C 1.378 Z: 27 64.170 2.387 1.404 0.931 1.000 0.846 CB 1.533 27 residues pruned to eliminate duplicates Z: 27 51.912 2.382 1.059 0.910 0.962 0.885 CB 1.531 27 residues pruned to eliminate duplicates Z: 17 35.057 2.194 0.760 0.891 1.000 0.938 CB 1.632 18 residues pruned to eliminate duplicates Z: 18 46.808 2.291 1.147 0.926 1.000 0.882 CB 1.619 17 residues pruned to eliminate duplicates Z: 17 48.085 2.269 1.313 0.916 0.938 0.750 CB 1.725 17 residues pruned to eliminate duplicates Z: 18 51.238 2.273 1.179 0.921 1.000 0.941 CB 1.766 19 residues pruned to eliminate duplicates Z: 12 17.100 1.906 0.605 0.872 0.909 0.818 CA 1.352 11 residues pruned to eliminate duplicates Z: 18 43.714 2.338 0.893 0.916 1.000 0.882 CB 1.692 18 residues pruned to eliminate duplicates Z: 16 50.195 2.489 1.123 0.937 1.000 1.000 CB 1.706 17 residues pruned to eliminate duplicates Z: 15 29.315 2.149 0.615 0.945 1.000 0.929 CB 1.562 15 residues pruned to eliminate duplicates Z: 18 40.005 2.291 0.975 0.934 1.000 0.882 CB 1.495 18 residues pruned to eliminate duplicates Z: 26 77.798 2.490 1.488 0.939 1.000 0.960 CB 1.745 26 residues pruned to eliminate duplicates Z: 16 50.023 2.373 1.205 0.940 1.000 0.933 CB 1.714 16 residues pruned to eliminate duplicates Z: 27 66.934 2.390 1.566 0.921 1.000 0.769 CB 1.506 27 residues pruned to eliminate duplicates Z: 18 46.395 2.333 1.127 0.886 0.941 0.765 CB 1.738 18 residues pruned to eliminate duplicates Z: 19 53.730 2.197 1.220 0.920 1.000 0.833 CA 1.829 19 residues pruned to eliminate duplicates Z: 26 72.759 2.467 1.536 0.943 0.960 0.800 CB 1.680 26 residues pruned to eliminate duplicates Z: 15 28.500 2.128 0.688 0.931 1.000 0.786 CB 1.481 15 residues pruned to eliminate duplicates Z: 17 40.117 2.223 0.971 0.918 1.000 0.938 CB 1.614 17 residues pruned to eliminate duplicates Z: 11 18.731 2.087 0.446 0.867 0.900 0.800 C 1.596 11 residues pruned to eliminate duplicates Z: 11 21.088 2.092 0.391 0.909 1.000 0.900 C 1.627 Z: 17 37.674 2.254 0.733 0.940 1.000 1.000 CB 1.674 17 residues pruned to eliminate duplicates Z: 17 40.587 2.268 0.775 0.926 1.000 0.875 CA 1.767 16 residues pruned to eliminate duplicates Z: 18 32.414 2.258 0.707 0.912 1.000 0.941 CB 1.445 18 residues pruned to eliminate duplicates Z: 11 21.191 2.185 0.413 0.901 0.900 0.800 CB 1.721 11 residues pruned to eliminate duplicates Z: 25 68.797 2.460 1.346 0.938 1.000 0.875 CB 1.692 26 residues pruned to eliminate duplicates Z: 17 54.527 2.358 1.312 0.922 1.000 0.875 CB 1.759 17 residues pruned to eliminate duplicates Z: 16 31.992 2.237 0.759 0.915 1.000 1.000 CB 1.484 16 residues pruned to eliminate duplicates Z: 18 46.562 2.389 1.038 0.937 1.000 0.882 CB 1.615 18 residues pruned to eliminate duplicates Z: 18 39.275 2.316 0.898 0.895 1.000 0.941 CB 1.553 18 residues pruned to eliminate duplicates Z: 18 45.685 2.320 1.354 0.908 1.000 0.882 CB 1.441 18 residues pruned to eliminate duplicates Z: 19 33.766 2.204 0.757 0.835 1.000 0.889 CB 1.540 19 residues pruned to eliminate duplicates Z: 15 51.399 2.425 1.357 0.937 1.000 0.857 CB 1.673 16 residues pruned to eliminate duplicates Z: 27 61.817 2.379 1.194 0.934 0.962 0.923 CB 1.685 27 residues pruned to eliminate duplicates Z: 27 50.941 2.384 1.014 0.924 0.962 0.923 CB 1.520 27 residues pruned to eliminate duplicates Z: 17 39.574 2.253 0.797 0.901 1.000 0.875 CB 1.744 17 residues pruned to eliminate duplicates Z: 19 40.066 2.356 1.016 0.929 0.944 0.778 CB 1.473 19 residues pruned to eliminate duplicates Z: 17 33.575 2.253 0.598 0.920 1.000 1.000 CB 1.642 17 residues pruned to eliminate duplicates Z: 17 33.172 2.244 0.619 0.926 1.000 1.000 CB 1.601 17 residues pruned to eliminate duplicates Z: 17 33.618 2.154 0.631 0.904 1.000 0.875 CB 1.703 17 residues pruned to eliminate duplicates Z: 17 47.015 2.348 1.182 0.916 1.000 0.875 CB 1.620 17 residues pruned to eliminate duplicates Z: 15 26.236 2.128 0.641 0.888 0.929 0.786 CB 1.558 15 residues pruned to eliminate duplicates Z: 18 43.098 2.304 0.824 0.931 1.000 0.941 CB 1.738 18 residues pruned to eliminate duplicates Z: 26 61.481 2.480 1.177 0.911 0.960 0.840 CB 1.681 26 residues pruned to eliminate duplicates Z: 26 68.957 2.386 1.571 0.917 1.000 0.800 CB 1.587 26 residues pruned to eliminate duplicates Z: 26 77.276 2.481 1.521 0.932 1.000 0.840 CB 1.726 26 residues pruned to eliminate duplicates Z: 18 45.170 2.292 0.857 0.916 1.000 0.824 CB 1.818 18 residues pruned to eliminate duplicates Z: 18 43.446 2.267 1.231 0.873 1.000 0.941 CB 1.517 18 residues pruned to eliminate duplicates Z: 18 46.552 2.305 1.043 0.929 1.000 0.824 CB 1.678 18 residues pruned to eliminate duplicates Z: 17 38.958 2.244 0.829 0.865 1.000 0.812 CB 1.739 17 residues pruned to eliminate duplicates Z: 11 18.776 2.163 0.389 0.871 0.900 0.800 CB 1.601 11 residues pruned to eliminate duplicates Z: 27 53.037 2.388 1.245 0.904 0.923 0.923 CB 1.496 27 residues pruned to eliminate duplicates Z: 17 43.180 2.241 1.011 0.915 1.000 0.812 CB 1.693 17 residues pruned to eliminate duplicates Z: 18 50.522 2.312 1.195 0.906 1.000 0.882 CB 1.717 18 residues pruned to eliminate duplicates Z: 27 62.034 2.381 1.321 0.924 1.000 0.808 CB 1.546 27 residues pruned to eliminate duplicates Z: 18 42.419 2.242 1.132 0.910 1.000 0.882 CB 1.526 18 residues pruned to eliminate duplicates Z: 26 60.250 2.448 1.343 0.940 0.960 0.760 CB 1.520 26 residues pruned to eliminate duplicates Z: 17 42.484 2.320 1.312 0.910 0.938 0.812 CB 1.498 17 residues pruned to eliminate duplicates Z: 17 50.268 2.267 1.206 0.927 1.000 0.875 CA 1.760 17 residues pruned to eliminate duplicates Z: 11 20.499 2.126 0.391 0.840 1.000 0.800 CB 1.635 11 residues pruned to eliminate duplicates Z: 7 7.160 1.748 0.076 0.791 1.000 0.500 CA 1.204 Z: 27 49.487 2.376 0.951 0.888 1.000 0.885 CB 1.509 27 residues pruned to eliminate duplicates Z: 17 39.633 2.337 0.933 0.911 1.000 0.938 CB 1.554 17 residues pruned to eliminate duplicates Z: 16 35.007 2.293 0.571 0.903 1.000 0.800 CA 1.788 16 residues pruned to eliminate duplicates Z: 26 59.671 2.488 1.084 0.920 1.000 0.880 CB 1.620 26 residues pruned to eliminate duplicates Z: 27 60.537 2.378 1.410 0.917 0.962 0.846 CB 1.520 27 residues pruned to eliminate duplicates Z: 17 37.998 2.237 0.894 0.922 1.000 1.000 CB 1.577 17 residues pruned to eliminate duplicates Z: 16 46.737 2.437 1.001 0.944 1.000 0.867 CB 1.715 16 residues pruned to eliminate duplicates Z: 25 82.076 2.522 1.614 0.936 1.000 0.917 CB 1.770 25 residues pruned to eliminate duplicates Z: 16 39.024 2.329 0.760 0.917 1.000 0.867 CB 1.735 16 residues pruned to eliminate duplicates Z: 11 24.417 2.076 0.771 0.922 1.000 0.800 CB 1.477 10 residues pruned to eliminate duplicates Z: 17 44.942 2.374 1.127 0.923 1.000 0.938 CB 1.564 17 residues pruned to eliminate duplicates Z: 27 56.146 2.332 1.426 0.903 0.962 0.846 CB 1.443 27 residues pruned to eliminate duplicates Z: 17 44.182 2.267 0.937 0.920 1.000 0.875 C 1.772 17 residues pruned to eliminate duplicates Z: 18 40.107 2.308 0.986 0.930 1.000 0.941 CB 1.484 18 residues pruned to eliminate duplicates Z: 17 55.097 2.263 1.393 0.922 1.000 0.625 CB 1.789 17 residues pruned to eliminate duplicates Z: 25 74.245 2.447 1.535 0.932 1.000 0.750 CB 1.707 25 residues pruned to eliminate duplicates Z: 6 11.052 2.016 0.187 0.784 1.000 1.000 CB 1.608 Z: 18 52.098 2.235 1.195 0.943 1.000 0.941 CA 1.785 18 residues pruned to eliminate duplicates Z: 13 27.308 2.204 0.873 0.831 0.917 0.833 CB 1.565 13 residues pruned to eliminate duplicates Z: 17 39.511 2.239 0.842 0.951 1.000 0.938 CB 1.651 17 residues pruned to eliminate duplicates Z: 11 16.237 2.034 0.374 0.764 0.900 0.600 C 1.615 9 residues pruned to eliminate duplicates Z: 26 79.482 2.460 1.669 0.943 1.000 0.880 CB 1.678 26 residues pruned to eliminate duplicates Z: 18 50.350 2.334 1.126 0.924 1.000 0.765 CB 1.728 18 residues pruned to eliminate duplicates Z: 27 58.543 2.354 1.226 0.898 1.000 0.885 CB 1.567 27 residues pruned to eliminate duplicates Z: 17 46.347 2.339 1.123 0.912 0.938 0.812 CB 1.762 17 residues pruned to eliminate duplicates Z: 18 43.978 2.353 1.000 0.931 1.000 0.882 CB 1.583 18 residues pruned to eliminate duplicates Z: 18 46.089 2.234 1.324 0.947 1.000 0.824 CB 1.488 16 residues pruned to eliminate duplicates Z: 14 16.028 1.942 0.248 0.916 1.000 0.769 CB 1.295 Z: 18 40.580 2.252 1.259 0.922 1.000 1.000 CB 1.361 18 residues pruned to eliminate duplicates Z: 26 62.483 2.429 1.026 0.924 1.000 0.840 CB 1.783 26 residues pruned to eliminate duplicates Z: 17 47.011 2.351 1.382 0.896 1.000 0.812 CB 1.503 17 residues pruned to eliminate duplicates Z: 7 9.183 2.080 0.456 0.692 0.667 0.333 CA 1.558 8 residues pruned to eliminate duplicates Z: 26 73.932 2.456 1.460 0.932 1.000 0.680 CB 1.710 26 residues pruned to eliminate duplicates Z: 18 44.274 2.320 1.074 0.925 0.941 0.824 CB 1.664 18 residues pruned to eliminate duplicates Z: 13 16.323 1.985 0.243 0.927 1.000 0.917 CB 1.338 13 residues pruned to eliminate duplicates Z: 9 14.629 2.054 0.718 0.789 0.750 0.500 CA 1.516 8 residues pruned to eliminate duplicates Z: 8 11.093 1.748 0.246 0.856 1.000 0.714 CA 1.421 Z: 27 55.803 2.399 1.391 0.899 0.923 0.769 CB 1.478 27 residues pruned to eliminate duplicates Z: 19 40.715 2.399 1.053 0.890 0.944 0.833 CB 1.485 19 residues pruned to eliminate duplicates Z: 10 18.925 2.013 0.498 0.915 1.000 0.667 CB 1.479 10 residues pruned to eliminate duplicates Z: 6 14.300 2.040 0.302 0.866 1.000 1.000 CB 1.762 7 residues pruned to eliminate duplicates Z: 18 41.403 2.342 0.830 0.908 0.941 0.882 CA 1.767 18 residues pruned to eliminate duplicates Z: 17 49.031 2.311 1.146 0.927 1.000 0.938 CB 1.732 17 residues pruned to eliminate duplicates Z: 8 9.956 1.743 0.327 0.831 1.000 0.857 CB 1.222 8 residues pruned to eliminate duplicates Z: 10 16.780 2.271 0.742 0.696 0.667 0.333 C 1.774 10 residues pruned to eliminate duplicates Z: 18 45.193 2.283 1.032 0.916 1.000 0.882 CB 1.669 18 residues pruned to eliminate duplicates Z: 26 56.848 2.479 1.069 0.927 0.960 0.920 CB 1.619 26 residues pruned to eliminate duplicates Z: 18 48.892 2.278 1.058 0.919 1.000 0.882 CB 1.783 18 residues pruned to eliminate duplicates Z: 18 35.486 2.330 0.796 0.896 0.882 0.824 CB 1.669 18 residues pruned to eliminate duplicates Z: 27 54.655 2.412 1.079 0.921 1.000 0.923 CB 1.504 27 residues pruned to eliminate duplicates Z: 15 20.654 1.939 0.549 0.931 1.000 0.929 CB 1.284 14 residues pruned to eliminate duplicates Z: 18 48.136 2.282 1.527 0.898 1.000 0.824 CB 1.448 17 residues pruned to eliminate duplicates Z: 17 41.206 2.480 0.845 0.945 1.000 0.938 CB 1.557 17 residues pruned to eliminate duplicates Z: 16 37.566 2.259 0.863 0.945 1.000 1.000 CB 1.595 16 residues pruned to eliminate duplicates Z: 27 53.371 2.411 1.111 0.899 0.962 0.808 CB 1.529 27 residues pruned to eliminate duplicates Z: 18 44.853 2.419 1.173 0.946 0.941 0.882 CB 1.520 18 residues pruned to eliminate duplicates Z: 58 62.353 2.264 0.931 0.680 0.965 0.702 CB 1.660 42 residues pruned to eliminate duplicates Z: 26 57.003 2.474 0.981 0.930 1.000 0.920 CB 1.628 26 residues pruned to eliminate duplicates Z: 28 65.141 2.320 1.503 0.922 0.963 0.852 CB 1.577 28 residues pruned to eliminate duplicates Z: 17 44.553 2.285 0.938 0.897 1.000 0.875 CB 1.801 17 residues pruned to eliminate duplicates Z: 7 5.686 1.708 0.142 0.854 0.833 0.500 C 1.055 7 residues pruned to eliminate duplicates Z: 13 22.917 1.994 0.700 0.885 1.000 0.833 CB 1.410 Z: 38 71.743 2.392 1.267 0.801 1.000 0.811 CB 1.672 33 residues pruned to eliminate duplicates Z: 15 32.119 2.138 0.791 0.944 1.000 0.786 CB 1.553 15 residues pruned to eliminate duplicates Z: 12 24.867 2.218 0.684 0.902 1.000 0.909 CB 1.432 12 residues pruned to eliminate duplicates Z: 17 44.084 2.212 1.087 0.950 1.000 1.000 CA 1.647 17 residues pruned to eliminate duplicates Z: 12 22.325 2.156 0.550 0.892 1.000 0.909 CB 1.447 12 residues pruned to eliminate duplicates Z: 12 20.905 2.081 0.418 0.873 1.000 0.727 C 1.556 12 residues pruned to eliminate duplicates Z: 11 21.540 1.963 0.464 0.928 1.000 0.900 C 1.660 11 residues pruned to eliminate duplicates Z: 11 22.059 2.170 0.681 0.896 1.000 0.700 CB 1.370 11 residues pruned to eliminate duplicates Z: 17 37.994 2.296 1.006 0.896 0.875 0.812 CB 1.688 17 residues pruned to eliminate duplicates Z: 18 38.280 2.326 0.736 0.914 1.000 0.941 CB 1.625 18 residues pruned to eliminate duplicates Z: 12 21.461 2.049 0.493 0.911 1.000 0.909 CB 1.499 Z: 12 24.297 2.212 0.641 0.876 1.000 0.636 CB 1.467 12 residues pruned to eliminate duplicates Z: 27 65.633 2.378 1.594 0.924 0.923 0.846 CB 1.587 27 residues pruned to eliminate duplicates Z: 16 36.259 2.281 0.772 0.921 1.000 0.867 CB 1.630 16 residues pruned to eliminate duplicates Z: 15 33.080 2.080 0.959 0.918 1.000 0.786 CB 1.530 15 residues pruned to eliminate duplicates Z: 14 19.403 1.958 0.526 0.905 1.000 0.846 CB 1.282 14 residues pruned to eliminate duplicates Z: 10 24.428 2.223 0.649 0.923 1.000 1.000 CB 1.561 11 residues pruned to eliminate duplicates Z: 12 22.971 2.178 0.652 0.879 1.000 0.818 CB 1.396 12 residues pruned to eliminate duplicates Z: 31 35.133 2.077 0.852 0.648 0.967 0.633 CB 1.503 31 residues pruned to eliminate duplicates Z: 21 38.676 2.331 0.682 0.823 0.950 0.700 CB 1.755 21 residues pruned to eliminate duplicates Z: 18 41.653 2.314 0.890 0.882 0.941 0.824 CB 1.777 18 residues pruned to eliminate duplicates Z: 17 49.229 2.332 1.076 0.940 1.000 0.875 CB 1.766 17 residues pruned to eliminate duplicates Z: 8 11.145 2.082 0.363 0.771 0.714 0.571 CA 1.635 8 residues pruned to eliminate duplicates Z: 17 36.090 2.301 0.863 0.883 0.938 0.812 CB 1.623 17 residues pruned to eliminate duplicates Z: 95 89.283 2.300 1.046 0.735 0.989 0.638 CB 1.601 86 residues pruned to eliminate duplicates Z: 17 49.711 2.353 1.399 0.940 1.000 0.875 CB 1.529 18 residues pruned to eliminate duplicates Z: 18 49.591 2.308 1.094 0.935 1.000 0.824 CB 1.735 18 residues pruned to eliminate duplicates Z: 17 34.937 2.223 0.689 0.910 1.000 1.000 CB 1.649 17 residues pruned to eliminate duplicates Z: 12 17.878 2.077 0.490 0.863 1.000 0.636 CB 1.278 12 residues pruned to eliminate duplicates Z: 18 36.969 2.299 1.008 0.831 0.882 0.824 CB 1.654 18 residues pruned to eliminate duplicates Z: 6 9.101 1.917 0.253 0.698 1.000 1.000 CB 1.414 6 residues pruned to eliminate duplicates Z: 12 24.045 2.172 0.665 0.897 1.000 0.909 CB 1.435 12 residues pruned to eliminate duplicates Z: 15 33.829 2.134 0.968 0.945 1.000 0.929 CB 1.490 15 residues pruned to eliminate duplicates Z: 12 25.327 2.196 0.721 0.916 1.000 0.818 CB 1.427 12 residues pruned to eliminate duplicates Z: 18 37.163 2.327 0.640 0.866 1.000 0.882 CB 1.729 18 residues pruned to eliminate duplicates Z: 13 20.854 1.973 0.532 0.907 1.000 0.833 CB 1.416 13 residues pruned to eliminate duplicates Z: 6 7.263 2.044 0.109 0.850 1.000 0.800 CB 1.061 6 residues pruned to eliminate duplicates Z: 15 32.820 2.157 0.878 0.942 1.000 0.857 CB 1.502 15 residues pruned to eliminate duplicates Z: 27 55.724 2.387 1.360 0.899 0.962 0.731 CB 1.443 27 residues pruned to eliminate duplicates Z: 41 58.014 2.199 1.151 0.771 0.975 0.625 CB 1.564 41 residues pruned to eliminate duplicates Z: 18 36.115 2.145 0.779 0.930 1.000 0.941 CB 1.605 18 residues pruned to eliminate duplicates Z: 24 27.540 2.025 0.610 0.795 1.000 0.783 CB 1.359 15 residues pruned to eliminate duplicates Z: 57 68.799 2.326 0.932 0.755 0.982 0.714 CB 1.661 55 residues pruned to eliminate duplicates Z: 13 16.946 1.972 0.340 0.883 1.000 0.750 CB 1.339 13 residues pruned to eliminate duplicates Z: 17 39.101 2.395 0.817 0.895 0.938 0.938 CB 1.718 17 residues pruned to eliminate duplicates Z: 7 30.329 2.363 1.059 0.849 1.000 1.000 CB 1.886 7 residues pruned to eliminate duplicates Z: 27 64.081 2.374 1.497 0.935 1.000 0.846 CB 1.477 27 residues pruned to eliminate duplicates Z: 6 10.236 1.845 0.334 0.780 1.000 0.600 CA 1.453 6 residues pruned to eliminate duplicates Z: 27 51.788 2.388 0.972 0.939 0.962 0.923 CB 1.559 27 residues pruned to eliminate duplicates Z: 39 68.317 2.363 1.212 0.779 1.000 0.816 CB 1.658 39 residues pruned to eliminate duplicates Z: 17 49.914 2.353 1.107 0.939 1.000 0.875 CB 1.749 17 residues pruned to eliminate duplicates Z: 9 16.916 2.396 -0.025 0.917 1.000 1.000 CB 1.806 9 residues pruned to eliminate duplicates Z: 44 31.540 2.071 0.616 0.602 0.907 0.558 CB 1.438 35 residues pruned to eliminate duplicates Z: 14 13.868 1.845 0.267 0.818 1.000 0.615 CB 1.248 14 residues pruned to eliminate duplicates Z: 10 18.753 2.169 0.595 0.775 0.889 0.556 C 1.595 13 residues pruned to eliminate duplicates Z: 30 35.103 2.084 0.793 0.667 0.966 0.655 CB 1.548 30 residues pruned to eliminate duplicates Z: 13 18.186 1.934 0.382 0.889 1.000 0.750 CB 1.415 13 residues pruned to eliminate duplicates Z: 27 67.090 2.418 1.468 0.890 0.962 0.808 CB 1.650 27 residues pruned to eliminate duplicates Z: 7 10.986 2.120 0.336 0.796 0.833 0.667 C 1.466 7 residues pruned to eliminate duplicates Z: 17 39.882 2.283 0.772 0.919 1.000 1.000 CB 1.737 17 residues pruned to eliminate duplicates Z: 43 63.698 2.317 1.115 0.729 0.952 0.833 CB 1.713 43 residues pruned to eliminate duplicates Z: 15 25.670 2.098 0.578 0.948 1.000 0.929 CB 1.430 15 residues pruned to eliminate duplicates Z: 13 18.285 1.951 0.417 0.887 1.000 0.750 CB 1.377 13 residues pruned to eliminate duplicates Z: 11 26.442 2.314 0.672 0.866 1.000 0.800 CB 1.582 12 residues pruned to eliminate duplicates Z: 17 40.894 2.290 1.079 0.901 0.938 0.812 CB 1.636 17 residues pruned to eliminate duplicates Z: 11 19.368 2.258 0.440 0.872 0.900 0.600 CB 1.526 11 residues pruned to eliminate duplicates Z: 18 55.022 2.327 1.401 0.947 1.000 0.882 CB 1.651 18 residues pruned to eliminate duplicates Z: 17 43.128 2.292 0.909 0.920 1.000 1.000 CB 1.736 17 residues pruned to eliminate duplicates Z: 144 111.068 2.346 1.025 0.734 0.965 0.748 CB 1.641 137 residues pruned to eliminate duplicates Z: 18 41.349 2.235 1.126 0.887 1.000 0.765 CB 1.521 18 residues pruned to eliminate duplicates Z: 12 14.800 2.072 0.317 0.861 0.909 0.727 CB 1.322 12 residues pruned to eliminate duplicates Z: 56 42.210 2.091 0.685 0.634 0.909 0.673 CB 1.567 59 residues pruned to eliminate duplicates Z: 25 41.497 2.252 0.939 0.903 0.917 0.792 CB 1.509 25 residues pruned to eliminate duplicates Z: 18 50.989 2.312 1.098 0.927 1.000 0.941 CB 1.787 18 residues pruned to eliminate duplicates Z: 18 42.423 2.254 1.104 0.879 1.000 0.588 CB 1.573 18 residues pruned to eliminate duplicates Z: 30 30.105 2.111 0.702 0.619 0.931 0.724 CB 1.494 30 residues pruned to eliminate duplicates Z: 7 10.292 1.692 0.695 0.662 1.000 0.500 CB 1.260 7 residues pruned to eliminate duplicates Z: 12 18.196 1.972 0.407 0.887 1.000 0.636 C 1.425 12 residues pruned to eliminate duplicates Z: 11 16.448 2.008 0.388 0.788 0.900 0.700 CB 1.610 11 residues pruned to eliminate duplicates Z: 18 52.226 2.268 1.180 0.941 1.000 0.882 CB 1.778 18 residues pruned to eliminate duplicates Z: 8 3.559 1.621 0.277 0.358 0.714 0.429 CB 1.061 8 residues pruned to eliminate duplicates Z: 17 37.650 2.270 0.988 0.914 1.000 0.750 CB 1.475 17 residues pruned to eliminate duplicates Z: 9 11.707 2.028 0.457 0.790 0.750 0.750 C 1.448 9 residues pruned to eliminate duplicates Z: 11 19.879 2.105 0.757 0.709 0.900 0.400 C 1.563 11 residues pruned to eliminate duplicates Z: 18 41.839 2.294 0.745 0.934 1.000 0.941 CB 1.768 18 residues pruned to eliminate duplicates Z: 105 93.876 2.331 0.990 0.744 0.981 0.750 CB 1.627 105 residues pruned to eliminate duplicates Z: 17 39.608 2.271 0.806 0.892 1.000 0.812 C 1.735 17 residues pruned to eliminate duplicates Z: 6 9.208 1.844 0.346 0.746 1.000 1.000 CB 1.331 6 residues pruned to eliminate duplicates Z: 11 14.268 2.104 0.272 0.759 0.900 0.700 CB 1.488 11 residues pruned to eliminate duplicates Z: 7 12.931 2.069 0.158 0.839 1.000 0.667 CA 1.646 7 residues pruned to eliminate duplicates Z: 51 56.406 2.267 0.907 0.723 0.900 0.640 CB 1.676 51 residues pruned to eliminate duplicates Z: 17 55.758 2.238 1.426 0.941 1.000 0.750 CA 1.782 17 residues pruned to eliminate duplicates Z: 11 4.749 1.541 0.691 0.178 0.900 0.500 CB 0.945 11 residues pruned to eliminate duplicates Z: 13 14.831 1.955 0.304 0.747 1.000 0.750 CB 1.346 13 residues pruned to eliminate duplicates Z: 17 43.945 2.212 1.017 0.916 1.000 0.812 C 1.739 17 residues pruned to eliminate duplicates Z: 43 45.090 2.180 0.820 0.610 0.976 0.643 CB 1.617 43 residues pruned to eliminate duplicates Z: 12 21.415 2.192 0.456 0.914 1.000 0.909 CB 1.430 12 residues pruned to eliminate duplicates Z: 28 26.818 1.991 0.639 0.674 1.000 0.815 CB 1.347 28 residues pruned to eliminate duplicates Z: 72 80.815 2.370 1.031 0.775 0.958 0.775 CB 1.633 72 residues pruned to eliminate duplicates Z: 11 17.658 2.051 0.493 0.741 0.900 0.600 C 1.633 11 residues pruned to eliminate duplicates Z: 13 20.812 1.955 0.682 0.851 1.000 0.500 CB 1.352 13 residues pruned to eliminate duplicates Z: 18 32.842 2.090 0.694 0.901 1.000 0.824 CB 1.606 18 residues pruned to eliminate duplicates Z: 16 43.774 2.312 1.022 0.915 1.000 0.733 CB 1.708 16 residues pruned to eliminate duplicates Z: 6 9.090 1.948 0.531 0.595 1.000 0.400 CB 1.244 6 residues pruned to eliminate duplicates Z: 11 17.398 1.983 0.463 0.842 0.900 0.800 CB 1.571 11 residues pruned to eliminate duplicates Z: 15 33.656 2.154 0.864 0.915 0.929 0.714 CA 1.704 15 residues pruned to eliminate duplicates Z: 12 22.090 2.188 0.505 0.926 1.000 1.000 CB 1.418 12 residues pruned to eliminate duplicates Z: 6 10.594 1.941 0.220 0.857 1.000 0.800 CA 1.475 6 residues pruned to eliminate duplicates Z: 17 41.015 2.264 0.927 0.916 1.000 0.938 CB 1.660 17 residues pruned to eliminate duplicates Z: 19 49.077 2.243 1.009 0.935 1.000 0.778 CA 1.789 19 residues pruned to eliminate duplicates Z: 10 17.550 2.158 0.173 0.914 1.000 0.889 CA 1.635 10 residues pruned to eliminate duplicates Z: 17 41.728 2.267 0.827 0.898 1.000 0.750 CB 1.801 17 residues pruned to eliminate duplicates Z: 12 17.753 1.971 0.454 0.879 0.909 0.727 CB 1.490 12 residues pruned to eliminate duplicates Z: 9 18.918 1.954 0.724 0.879 1.000 0.750 CA 1.439 9 residues pruned to eliminate duplicates Z: 7 12.057 1.733 0.704 0.744 1.000 1.000 CB 1.340 7 residues pruned to eliminate duplicates Z: 11 18.804 2.121 0.468 0.869 1.000 0.800 CB 1.395 11 residues pruned to eliminate duplicates Z: 26 65.394 2.438 1.436 0.946 0.960 0.800 CB 1.587 26 residues pruned to eliminate duplicates Z: 14 20.587 1.956 0.605 0.915 1.000 0.769 CB 1.286 14 residues pruned to eliminate duplicates Z: 44 28.388 2.012 0.653 0.567 0.860 0.558 CB 1.418 44 residues pruned to eliminate duplicates Z: 16 41.891 2.282 1.003 0.942 1.000 0.933 CB 1.641 16 residues pruned to eliminate duplicates Z: 16 41.799 2.269 1.061 0.926 1.000 0.867 CB 1.618 16 residues pruned to eliminate duplicates Z: 123 105.663 2.344 1.101 0.736 0.984 0.713 CB 1.597 123 residues pruned to eliminate duplicates Z: 45 47.971 2.245 0.904 0.648 0.955 0.636 CB 1.544 45 residues pruned to eliminate duplicates Z: 12 22.013 2.032 0.523 0.897 1.000 0.818 CB 1.535 12 residues pruned to eliminate duplicates Z: 43 32.843 2.069 0.661 0.601 0.905 0.595 CB 1.481 43 residues pruned to eliminate duplicates Z: 15 37.337 2.254 1.000 0.929 1.000 0.857 CB 1.549 15 residues pruned to eliminate duplicates Z: 6 5.507 1.670 0.389 0.734 1.000 0.400 CB 0.860 6 residues pruned to eliminate duplicates Z: 56 46.918 2.091 0.805 0.636 0.945 0.636 CB 1.560 56 residues pruned to eliminate duplicates Z: 7 15.771 1.959 0.430 0.898 1.000 1.000 CB 1.644 7 residues pruned to eliminate duplicates Z: 59 53.893 2.250 0.751 0.638 0.966 0.672 CB 1.635 59 residues pruned to eliminate duplicates Z: 15 27.822 2.133 0.685 0.921 1.000 0.929 CB 1.455 15 residues pruned to eliminate duplicates Z: 16 27.682 1.987 0.860 0.840 1.000 0.600 CB 1.443 16 residues pruned to eliminate duplicates Z: 38 58.432 2.366 1.025 0.813 0.946 0.919 CB 1.615 38 residues pruned to eliminate duplicates Z: 13 21.419 1.977 0.636 0.948 1.000 0.917 CB 1.320 13 residues pruned to eliminate duplicates Z: 15 49.607 2.334 1.285 0.942 1.000 0.857 CB 1.723 15 residues pruned to eliminate duplicates Z: 18 40.588 2.258 1.251 0.923 0.941 0.588 CB 1.447 18 residues pruned to eliminate duplicates Z: 14 21.267 1.920 0.682 0.925 1.000 0.846 CB 1.282 14 residues pruned to eliminate duplicates Z: 108 88.930 2.313 0.952 0.723 0.972 0.785 CB 1.602 108 residues pruned to eliminate duplicates Z: 44 31.581 2.022 0.603 0.601 0.930 0.628 CB 1.450 44 residues pruned to eliminate duplicates Z: 28 38.318 2.176 0.879 0.670 1.000 0.815 CB 1.542 28 residues pruned to eliminate duplicates Z: 7 9.402 1.792 0.386 0.720 1.000 0.167 CA 1.267 7 residues pruned to eliminate duplicates Z: 24 25.804 1.986 0.607 0.763 1.000 0.826 CB 1.335 24 residues pruned to eliminate duplicates Z: 18 37.817 2.277 0.884 0.912 1.000 0.882 CB 1.514 18 residues pruned to eliminate duplicates Z: 12 25.092 2.125 0.864 0.906 1.000 1.000 CB 1.358 12 residues pruned to eliminate duplicates Z: 18 36.314 2.274 0.762 0.884 0.941 0.882 CB 1.688 18 residues pruned to eliminate duplicates Z: 96 76.975 2.302 0.815 0.724 0.979 0.758 CB 1.577 96 residues pruned to eliminate duplicates Z: 17 36.635 2.361 0.959 0.841 0.938 0.875 CB 1.575 17 residues pruned to eliminate duplicates Z: 16 54.655 2.430 1.410 0.943 1.000 0.800 CB 1.670 16 residues pruned to eliminate duplicates Z: 17 41.561 2.401 0.900 0.907 1.000 0.938 CB 1.619 17 residues pruned to eliminate duplicates Z: 50 56.001 2.261 0.942 0.715 0.959 0.816 CB 1.564 50 residues pruned to eliminate duplicates Z: 7 7.989 1.947 0.315 0.735 0.833 0.500 C 1.238 7 residues pruned to eliminate duplicates Z: 17 47.892 2.283 1.432 0.938 1.000 0.812 CB 1.500 17 residues pruned to eliminate duplicates Z: 10 26.325 2.214 1.263 0.859 1.000 0.778 CB 1.289 10 residues pruned to eliminate duplicates Z: 14 19.446 1.893 0.532 0.875 1.000 0.769 CB 1.353 14 residues pruned to eliminate duplicates Z: 17 33.592 2.216 0.751 0.929 1.000 1.000 CB 1.515 17 residues pruned to eliminate duplicates Z: 89 76.440 2.304 0.865 0.722 0.966 0.727 CB 1.606 89 residues pruned to eliminate duplicates Z: 7 7.114 1.877 0.180 0.826 0.667 0.333 CA 1.484 7 residues pruned to eliminate duplicates Z: 13 20.957 2.008 0.624 0.903 1.000 0.750 CB 1.322 13 residues pruned to eliminate duplicates Z: 18 36.537 2.270 0.712 0.901 1.000 0.941 CB 1.627 18 residues pruned to eliminate duplicates Z: 12 20.114 2.032 0.491 0.875 1.000 0.909 CB 1.456 12 residues pruned to eliminate duplicates Z: 11 20.719 2.170 0.506 0.890 1.000 0.600 CB 1.443 11 residues pruned to eliminate duplicates Z: 27 54.474 2.365 1.312 0.906 0.923 0.692 CB 1.505 27 residues pruned to eliminate duplicates Z: 10 21.468 2.240 0.417 0.889 1.000 0.778 CB 1.623 10 residues pruned to eliminate duplicates Z: 103 90.681 2.325 1.047 0.735 0.961 0.725 CB 1.590 103 residues pruned to eliminate duplicates Z: 16 28.296 2.213 0.436 0.920 1.000 0.933 CB 1.620 16 residues pruned to eliminate duplicates Z: 18 53.666 2.275 1.328 0.945 1.000 0.765 CB 1.700 18 residues pruned to eliminate duplicates Z: 6 10.480 1.899 0.734 0.827 1.000 0.800 CB 1.072 6 residues pruned to eliminate duplicates Z: 18 40.516 2.261 0.915 0.907 1.000 1.000 CB 1.612 18 residues pruned to eliminate duplicates Z: 11 21.695 2.184 0.600 0.842 1.000 0.600 CB 1.464 11 residues pruned to eliminate duplicates Z: 58 52.437 2.233 0.750 0.671 0.930 0.684 CB 1.632 58 residues pruned to eliminate duplicates Z: 26 62.888 2.385 1.438 0.905 0.960 0.720 CB 1.603 26 residues pruned to eliminate duplicates Z: 57 60.832 2.296 0.800 0.725 0.982 0.714 CB 1.634 57 residues pruned to eliminate duplicates Z: 13 30.208 2.276 1.357 0.676 0.917 0.667 CB 1.508 13 residues pruned to eliminate duplicates Z: 24 33.780 2.269 0.859 0.709 0.870 0.826 CB 1.589 24 residues pruned to eliminate duplicates Z: 45 56.175 2.304 0.980 0.706 0.977 0.727 CB 1.575 45 residues pruned to eliminate duplicates Z: 16 24.639 2.204 0.730 0.510 1.000 0.600 CA 1.651 16 residues pruned to eliminate duplicates Z: 88 74.048 2.289 0.836 0.720 0.943 0.736 CB 1.644 88 residues pruned to eliminate duplicates Z: 13 20.843 2.139 0.552 0.704 0.917 0.417 CA 1.642 13 residues pruned to eliminate duplicates Z: 29 28.158 1.989 0.679 0.660 1.000 0.643 CB 1.374 29 residues pruned to eliminate duplicates Z: 16 19.417 2.006 0.840 0.467 1.000 0.667 CB 1.405 16 residues pruned to eliminate duplicates Z: 13 27.100 2.304 0.795 0.566 0.917 0.417 CB 1.936 13 residues pruned to eliminate duplicates Z: 6 3.772 2.035 0.436 0.692 0.400 0.400 CB 1.210 6 residues pruned to eliminate duplicates Z: 110 96.594 2.318 1.135 0.714 0.972 0.725 CB 1.583 110 residues pruned to eliminate duplicates Z: 16 46.155 2.222 1.395 0.918 1.000 0.933 CB 1.580 16 residues pruned to eliminate duplicates Z: 57 56.548 2.178 0.905 0.655 0.946 0.661 CB 1.666 57 residues pruned to eliminate duplicates Z: 8 11.120 1.834 0.506 0.826 0.857 0.714 CB 1.339 8 residues pruned to eliminate duplicates Z: 11 14.609 2.228 -0.031 0.826 0.900 0.800 CB 1.794 11 residues pruned to eliminate duplicates Z: 15 17.688 2.045 0.728 0.446 1.000 0.571 CB 1.414 15 residues pruned to eliminate duplicates Z: 17 32.956 2.246 0.519 0.915 1.000 1.000 CB 1.706 17 residues pruned to eliminate duplicates Z: 6 12.913 1.779 0.889 0.827 1.000 1.000 CB 1.295 6 residues pruned to eliminate duplicates Z: 13 14.552 1.938 0.512 0.608 0.833 0.667 CB 1.553 13 residues pruned to eliminate duplicates Z: 17 33.072 2.255 0.763 0.875 1.000 0.938 CB 1.513 17 residues pruned to eliminate duplicates Z: 17 44.072 2.290 0.996 0.932 0.938 0.938 CA 1.795 17 residues pruned to eliminate duplicates Z: 17 35.019 2.359 0.719 0.893 0.938 0.875 CB 1.653 17 residues pruned to eliminate duplicates Z: 6 2.309 1.431 0.578 0.298 0.800 0.600 CB 0.716 6 residues pruned to eliminate duplicates Z: 93 80.694 2.293 0.943 0.747 0.957 0.815 CB 1.583 93 residues pruned to eliminate duplicates Z: 124 97.733 2.306 1.023 0.730 0.967 0.707 CB 1.587 124 residues pruned to eliminate duplicates Z: 17 37.199 2.310 1.305 0.744 1.000 0.875 CB 1.404 17 residues pruned to eliminate duplicates Z: 27 57.389 2.366 1.252 0.934 0.962 0.769 CB 1.532 27 residues pruned to eliminate duplicates Z: 14 27.801 2.128 0.590 0.940 1.000 1.000 CB 1.582 14 residues pruned to eliminate duplicates Z: 17 32.825 2.183 0.689 0.897 1.000 0.812 CB 1.594 17 residues pruned to eliminate duplicates Z: 21 54.735 2.386 1.521 0.789 1.000 0.800 CB 1.579 21 residues pruned to eliminate duplicates Z: 15 26.270 2.139 0.560 0.897 1.000 0.857 CB 1.506 15 residues pruned to eliminate duplicates Z: 172 97.055 2.198 0.895 0.694 0.959 0.667 CB 1.557 300 residues pruned to eliminate duplicates Z: 27 65.348 2.364 1.434 0.928 1.000 0.846 CB 1.560 Z: 17 50.342 2.318 1.307 0.931 1.000 0.875 CB 1.644 Z: 51 64.370 2.274 1.028 0.753 0.980 0.720 CB 1.607 51 residues pruned to eliminate duplicates Z: 6 8.883 1.888 0.954 0.480 1.000 0.600 CB 1.098 5 residues pruned to eliminate duplicates Z: 15 35.494 2.073 1.152 0.924 1.000 0.929 CB 1.493 Z: 113 95.992 2.312 1.101 0.720 0.973 0.777 CB 1.573 113 residues pruned to eliminate duplicates Z: 27 58.867 2.302 1.451 0.893 0.962 0.654 CB 1.527 27 residues pruned to eliminate duplicates Z: 16 27.576 1.949 0.836 0.892 0.933 0.933 CB 1.531 16 residues pruned to eliminate duplicates Z: 50 55.496 2.307 0.903 0.704 0.959 0.673 CB 1.563 50 residues pruned to eliminate duplicates Z: 17 36.265 2.247 0.688 0.924 1.000 1.000 CB 1.678 17 residues pruned to eliminate duplicates Z: 15 20.047 1.868 0.598 0.909 1.000 0.786 CB 1.273 15 residues pruned to eliminate duplicates Z: 17 32.093 2.225 0.494 0.926 1.000 1.000 CB 1.693 17 residues pruned to eliminate duplicates Z: 18 38.445 2.306 0.766 0.897 1.000 0.941 CB 1.639 18 residues pruned to eliminate duplicates Z: 14 18.317 1.848 0.534 0.931 1.000 0.769 CB 1.252 14 residues pruned to eliminate duplicates Z: 9 23.366 2.117 0.693 0.835 1.000 0.875 CB 1.727 Z: 32 36.783 2.144 1.233 0.568 0.871 0.774 CB 1.483 32 residues pruned to eliminate duplicates Z: 22 30.135 2.195 1.094 0.627 0.952 0.714 CB 1.333 22 residues pruned to eliminate duplicates Z: 45 64.710 2.304 1.373 0.683 0.909 0.705 CB 1.659 45 residues pruned to eliminate duplicates Z: 74 70.967 2.295 0.973 0.659 0.973 0.671 CB 1.627 42 residues pruned to eliminate duplicates Z: 11 18.340 1.996 0.591 0.822 0.900 0.600 C 1.535 11 residues pruned to eliminate duplicates Z: 17 39.313 2.288 0.860 0.895 1.000 0.875 CB 1.656 17 residues pruned to eliminate duplicates Z: 8 8.939 1.655 0.668 0.716 0.857 0.571 CB 1.174 8 residues pruned to eliminate duplicates Z: 24 43.383 2.182 1.513 0.734 0.913 0.522 CB 1.464 24 residues pruned to eliminate duplicates Z: 11 26.393 2.298 0.629 0.904 1.000 0.900 CB 1.588 11 residues pruned to eliminate duplicates Z: 38 28.944 2.002 0.686 0.593 0.946 0.568 CB 1.364 38 residues pruned to eliminate duplicates Z: 19 40.245 2.313 0.830 0.929 1.000 0.944 CB 1.568 19 residues pruned to eliminate duplicates Z: 13 15.776 1.966 0.567 0.645 0.833 0.500 CB 1.549 13 residues pruned to eliminate duplicates Z: 33 45.371 2.216 1.291 0.675 0.906 0.812 CB 1.483 33 residues pruned to eliminate duplicates Z: 82 68.783 2.265 0.849 0.689 0.975 0.765 CB 1.574 82 residues pruned to eliminate duplicates Z: 7 14.023 2.127 0.542 0.864 0.833 0.833 CB 1.536 7 residues pruned to eliminate duplicates 6 1.415 1.195 0.295 0.657 0.800 0.600 CA 0.442 ? Z: 27 42.499 2.288 1.234 0.608 0.923 0.769 CB 1.594 19 residues pruned to eliminate duplicates Z: 39 56.002 2.330 0.853 0.798 1.000 0.868 CB 1.620 39 residues pruned to eliminate duplicates Z: 8 6.470 1.705 0.709 0.341 1.000 0.571 CB 0.997 8 residues pruned to eliminate duplicates Z: 7 3.823 1.536 0.151 0.394 1.000 0.667 CB 0.987 Z: 12 21.040 1.954 0.530 0.924 1.000 1.000 C 1.491 12 residues pruned to eliminate duplicates Z: 120 100.181 2.305 1.178 0.723 0.958 0.706 CB 1.561 202 residues pruned to eliminate duplicates Z: 19 40.703 2.328 0.871 0.870 1.000 0.833 CB 1.609 Z: 10 14.579 1.957 0.381 0.864 0.889 0.444 C 1.483 10 residues pruned to eliminate duplicates Z: 10 20.191 2.163 1.055 0.586 0.889 0.667 CB 1.568 10 residues pruned to eliminate duplicates Z: 14 10.809 1.768 0.734 0.405 0.846 0.462 CB 1.278 5 residues pruned to eliminate duplicates Z: 103 84.501 2.298 1.097 0.681 0.931 0.686 CB 1.578 103 residues pruned to eliminate duplicates 289 residues left after pruning, divided into chains as follows: A: 223 B: 13 C: 26 D: 27 CC for partial structure against native data = 33.41 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.534, Connect. = 0.800 for dens.mod. cycle 1 = 0.300, Contrast = 0.601, Connect. = 0.819 for dens.mod. cycle 2 = 0.300, Contrast = 0.718, Connect. = 0.844 for dens.mod. cycle 3 = 0.300, Contrast = 0.723, Connect. = 0.847 for dens.mod. cycle 4 = 0.300, Contrast = 0.732, Connect. = 0.849 for dens.mod. cycle 5 = 0.300, Contrast = 0.734, Connect. = 0.851 for dens.mod. cycle 6 = 0.300, Contrast = 0.739, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.740, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.742, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.743, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2606 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 588 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 61.821 2.540 1.110 0.938 0.941 0.882 CB 2.067 B: 19 58.667 2.588 0.879 0.934 0.944 0.889 CB 2.099 19 residues pruned to eliminate duplicates C: 17 62.273 2.633 1.178 0.944 0.938 0.938 CB 2.005 17 residues pruned to eliminate duplicates D: 18 54.968 2.577 1.042 0.940 0.882 0.882 CB 1.995 18 residues pruned to eliminate duplicates E: 18 57.676 2.460 0.962 0.934 1.000 0.941 C 2.021 F: 17 41.840 2.516 0.666 0.918 1.000 0.938 CB 1.760 G: 27 68.045 2.522 1.158 0.931 0.962 0.808 CB 1.782 H: 27 71.822 2.538 1.142 0.924 0.962 0.846 CB 1.892 27 residues pruned to eliminate duplicates I: 18 60.148 2.457 1.056 0.942 1.000 0.941 CB 2.003 J: 27 71.942 2.540 1.158 0.911 0.962 0.731 CB 1.897 27 residues pruned to eliminate duplicates K: 17 51.389 2.425 0.998 0.884 0.938 0.875 CB 2.043 17 residues pruned to eliminate duplicates L: 18 58.072 2.410 1.088 0.938 1.000 0.882 CB 1.947 M: 17 47.733 2.529 0.825 0.920 0.938 0.875 CB 1.943 17 residues pruned to eliminate duplicates N: 18 48.442 2.475 0.702 0.940 1.000 0.941 CB 1.937 18 residues pruned to eliminate duplicates O: 17 53.291 2.515 0.785 0.956 1.000 1.000 CB 2.038 17 residues pruned to eliminate duplicates P: 17 52.766 2.456 0.891 0.934 1.000 0.938 CA 1.981 17 residues pruned to eliminate duplicates Q: 17 39.623 2.409 0.596 0.865 0.938 0.812 CB 2.013 R: 17 49.041 2.519 0.629 0.952 1.000 1.000 CB 2.058 17 residues pruned to eliminate duplicates S: 17 36.297 2.580 0.584 0.929 0.875 0.812 CB 1.776 17 residues pruned to eliminate duplicates T: 18 52.605 2.470 0.990 0.920 0.941 0.706 CB 1.943 18 residues pruned to eliminate duplicates U: 27 60.693 2.483 0.865 0.929 0.962 0.885 CB 1.870 18 residues pruned to eliminate duplicates V: 27 73.862 2.511 1.308 0.930 0.923 0.808 CB 1.894 27 residues pruned to eliminate duplicates W: 27 57.282 2.455 0.756 0.947 0.962 0.769 CB 1.872 27 residues pruned to eliminate duplicates X: 27 56.908 2.476 0.775 0.915 0.962 0.846 CB 1.866 27 residues pruned to eliminate duplicates Y: 17 51.308 2.487 0.972 0.871 1.000 0.875 CB 1.908 17 residues pruned to eliminate duplicates Z: 19 54.984 2.315 1.004 0.914 1.000 0.889 CB 1.977 19 residues pruned to eliminate duplicates Z: 18 36.706 2.422 0.471 0.901 1.000 0.941 CB 1.784 18 residues pruned to eliminate duplicates Z: 28 60.905 2.481 0.915 0.929 0.963 0.889 CB 1.793 28 residues pruned to eliminate duplicates Z: 16 43.475 2.501 0.655 0.901 1.000 1.000 CB 1.935 16 residues pruned to eliminate duplicates Z: 18 37.729 2.391 0.869 0.905 0.882 0.882 CB 1.652 18 residues pruned to eliminate duplicates Z: 26 80.973 2.600 1.180 0.958 1.000 0.920 CB 1.959 27 residues pruned to eliminate duplicates Z: 26 79.663 2.615 1.123 0.940 1.000 0.840 CB 1.993 26 residues pruned to eliminate duplicates Z: 18 54.631 2.458 1.095 0.902 1.000 0.765 CB 1.836 17 residues pruned to eliminate duplicates Z: 18 39.502 2.395 0.632 0.875 1.000 0.882 CB 1.782 Z: 16 40.779 2.404 0.739 0.931 1.000 1.000 CB 1.761 Z: 18 56.594 2.490 0.871 0.946 1.000 0.882 CB 2.038 18 residues pruned to eliminate duplicates Z: 26 67.603 2.584 0.902 0.938 1.000 0.960 CB 1.914 26 residues pruned to eliminate duplicates Z: 18 47.432 2.483 0.687 0.892 1.000 0.941 CB 1.973 18 residues pruned to eliminate duplicates Z: 19 41.470 2.383 0.501 0.937 1.000 0.889 CB 1.902 19 residues pruned to eliminate duplicates Z: 18 54.906 2.461 0.915 0.941 1.000 0.882 CB 1.960 18 residues pruned to eliminate duplicates Z: 18 44.008 2.437 0.681 0.912 1.000 0.882 CA 1.845 18 residues pruned to eliminate duplicates Z: 12 27.947 2.284 0.665 0.901 1.000 0.818 CB 1.582 12 residues pruned to eliminate duplicates Z: 17 37.189 2.476 0.695 0.878 0.938 0.875 CB 1.715 17 residues pruned to eliminate duplicates Z: 27 70.578 2.499 1.052 0.940 1.000 0.923 CB 1.875 27 residues pruned to eliminate duplicates Z: 16 48.546 2.552 0.880 0.928 1.000 0.933 CB 1.829 16 residues pruned to eliminate duplicates Z: 18 38.532 2.457 0.545 0.912 1.000 0.824 CB 1.743 18 residues pruned to eliminate duplicates Z: 17 48.353 2.496 0.999 0.901 0.938 0.875 CB 1.845 17 residues pruned to eliminate duplicates Z: 17 42.988 2.385 0.591 0.919 1.000 1.000 CB 1.996 17 residues pruned to eliminate duplicates Z: 27 69.890 2.523 1.184 0.931 0.962 0.731 CB 1.808 27 residues pruned to eliminate duplicates Z: 18 44.858 2.427 0.820 0.932 1.000 0.824 CB 1.720 18 residues pruned to eliminate duplicates Z: 17 47.082 2.497 0.876 0.906 1.000 0.812 CB 1.787 17 residues pruned to eliminate duplicates Z: 18 44.604 2.456 0.754 0.911 1.000 0.941 CB 1.779 18 residues pruned to eliminate duplicates Z: 17 45.555 2.389 0.836 0.923 1.000 1.000 CB 1.824 17 residues pruned to eliminate duplicates Z: 19 59.352 2.479 1.091 0.932 0.944 0.778 CB 1.996 19 residues pruned to eliminate duplicates Z: 20 47.182 2.402 0.826 0.905 1.000 0.842 CB 1.756 20 residues pruned to eliminate duplicates Z: 17 52.982 2.559 0.806 0.942 1.000 0.938 CB 1.988 17 residues pruned to eliminate duplicates Z: 17 41.732 2.439 0.597 0.899 1.000 0.875 CA 1.915 17 residues pruned to eliminate duplicates Z: 18 43.637 2.286 0.931 0.908 1.000 0.824 CB 1.703 17 residues pruned to eliminate duplicates Z: 18 38.465 2.461 0.595 0.930 1.000 0.941 CB 1.662 18 residues pruned to eliminate duplicates Z: 14 35.799 2.329 0.682 0.914 0.923 0.923 CB 1.943 14 residues pruned to eliminate duplicates Z: 17 44.364 2.367 0.811 0.904 1.000 1.000 CB 1.843 16 residues pruned to eliminate duplicates Z: 12 22.846 2.326 0.263 0.863 1.000 0.727 CB 1.721 Z: 27 69.112 2.532 1.019 0.927 1.000 0.846 CB 1.858 27 residues pruned to eliminate duplicates Z: 18 45.936 2.484 0.702 0.871 1.000 0.824 CA 1.922 18 residues pruned to eliminate duplicates Z: 18 42.575 2.419 0.808 0.924 0.941 0.765 CB 1.762 18 residues pruned to eliminate duplicates Z: 17 38.508 2.507 0.500 0.950 1.000 1.000 CB 1.765 17 residues pruned to eliminate duplicates Z: 19 42.048 2.339 0.686 0.893 0.944 0.889 CB 1.911 19 residues pruned to eliminate duplicates Z: 18 57.072 2.395 1.036 0.942 1.000 0.882 CB 1.969 18 residues pruned to eliminate duplicates Z: 16 47.342 2.549 0.615 0.908 1.000 0.933 CB 2.108 17 residues pruned to eliminate duplicates Z: 18 48.797 2.431 0.766 0.927 1.000 0.882 CA 1.931 18 residues pruned to eliminate duplicates Z: 17 53.559 2.371 1.099 0.916 1.000 0.938 CA 1.900 16 residues pruned to eliminate duplicates Z: 18 38.430 2.399 0.700 0.912 1.000 1.000 CB 1.618 18 residues pruned to eliminate duplicates Z: 18 45.713 2.418 0.616 0.917 1.000 0.824 CA 2.003 18 residues pruned to eliminate duplicates Z: 18 48.264 2.459 0.672 0.918 1.000 0.941 CB 2.007 18 residues pruned to eliminate duplicates Z: 16 32.854 2.333 0.508 0.876 1.000 0.867 CB 1.753 16 residues pruned to eliminate duplicates Z: 18 45.525 2.482 0.782 0.876 0.941 0.824 CB 1.927 18 residues pruned to eliminate duplicates Z: 17 50.966 2.520 0.750 0.935 0.938 0.875 CB 2.148 17 residues pruned to eliminate duplicates Z: 18 47.372 2.453 0.871 0.866 1.000 0.824 CB 1.832 18 residues pruned to eliminate duplicates Z: 19 47.417 2.476 0.674 0.944 1.000 0.944 CB 1.867 19 residues pruned to eliminate duplicates Z: 27 63.501 2.528 0.970 0.924 0.962 0.923 CB 1.827 27 residues pruned to eliminate duplicates Z: 17 38.027 2.434 0.472 0.906 1.000 0.875 CB 1.887 17 residues pruned to eliminate duplicates Z: 12 21.555 2.149 0.478 0.809 0.909 0.727 CB 1.719 Z: 14 18.282 2.050 0.220 0.844 1.000 0.769 CB 1.509 14 residues pruned to eliminate duplicates Z: 17 40.931 2.359 0.573 0.889 1.000 0.875 C 1.985 17 residues pruned to eliminate duplicates Z: 16 43.986 2.489 0.577 0.927 1.000 1.000 CB 2.027 16 residues pruned to eliminate duplicates Z: 28 60.982 2.462 0.947 0.928 0.963 0.852 CB 1.780 28 residues pruned to eliminate duplicates Z: 16 59.051 2.472 1.231 0.948 1.000 0.933 CB 1.909 16 residues pruned to eliminate duplicates Z: 21 47.695 2.557 0.666 0.910 0.900 0.800 CB 1.973 21 residues pruned to eliminate duplicates Z: 17 50.590 2.502 0.717 0.926 1.000 0.938 CA 2.064 17 residues pruned to eliminate duplicates Z: 18 34.293 2.414 0.399 0.889 1.000 0.941 CB 1.773 18 residues pruned to eliminate duplicates Z: 12 21.540 2.193 0.381 0.850 1.000 0.727 CB 1.589 12 residues pruned to eliminate duplicates Z: 18 48.291 2.402 0.621 0.953 1.000 1.000 CA 2.069 18 residues pruned to eliminate duplicates Z: 18 40.221 2.339 0.742 0.821 1.000 0.765 CB 1.813 18 residues pruned to eliminate duplicates Z: 12 23.999 2.115 0.615 0.881 0.909 0.818 C 1.687 12 residues pruned to eliminate duplicates Z: 27 68.967 2.461 1.285 0.907 0.962 0.615 CB 1.777 27 residues pruned to eliminate duplicates Z: 20 38.690 2.282 0.561 0.926 1.000 0.947 CA 1.747 20 residues pruned to eliminate duplicates Z: 18 52.126 2.381 0.928 0.926 1.000 0.941 CB 1.931 18 residues pruned to eliminate duplicates Z: 18 45.998 2.483 0.719 0.908 0.941 0.882 CB 1.973 18 residues pruned to eliminate duplicates Z: 13 22.979 2.205 0.358 0.811 1.000 0.750 CB 1.690 12 residues pruned to eliminate duplicates Z: 27 69.373 2.501 1.270 0.928 0.923 0.769 CB 1.819 27 residues pruned to eliminate duplicates Z: 17 41.893 2.546 0.612 0.851 0.938 0.812 CB 2.015 17 residues pruned to eliminate duplicates Z: 25 91.580 2.631 1.411 0.942 1.000 0.875 CB 2.044 26 residues pruned to eliminate duplicates Z: 26 86.400 2.564 1.332 0.947 1.000 0.800 CB 1.997 26 residues pruned to eliminate duplicates Z: 27 71.653 2.509 1.221 0.931 0.962 0.885 CB 1.832 27 residues pruned to eliminate duplicates Z: 22 46.228 2.520 0.530 0.803 1.000 0.762 CA 2.009 22 residues pruned to eliminate duplicates Z: 22 48.900 2.454 0.692 0.808 1.000 0.714 CB 1.964 22 residues pruned to eliminate duplicates Z: 12 16.680 2.056 0.227 0.786 0.909 0.636 C 1.705 Z: 19 42.765 2.357 0.707 0.900 1.000 0.833 CB 1.790 19 residues pruned to eliminate duplicates Z: 27 51.711 2.502 0.740 0.894 0.923 0.846 CB 1.811 27 residues pruned to eliminate duplicates Z: 19 43.522 2.333 0.570 0.949 1.000 1.000 CB 1.933 19 residues pruned to eliminate duplicates Z: 18 54.876 2.561 0.848 0.941 1.000 0.824 CB 1.952 18 residues pruned to eliminate duplicates Z: 17 36.353 2.378 0.376 0.900 1.000 0.875 CA 1.983 17 residues pruned to eliminate duplicates Z: 11 19.682 2.299 0.124 0.873 1.000 0.900 CB 1.754 Z: 27 56.225 2.498 0.800 0.919 0.962 0.962 CB 1.796 27 residues pruned to eliminate duplicates Z: 27 73.119 2.501 1.289 0.926 0.962 0.808 CB 1.826 27 residues pruned to eliminate duplicates Z: 94 89.393 2.439 0.740 0.717 0.946 0.742 CB 1.898 83 residues pruned to eliminate duplicates Z: 18 55.800 2.442 0.974 0.940 1.000 0.941 CB 1.950 18 residues pruned to eliminate duplicates Z: 18 46.807 2.437 0.616 0.934 1.000 0.941 CB 2.010 18 residues pruned to eliminate duplicates Z: 17 43.748 2.379 0.778 0.919 1.000 1.000 CB 1.822 17 residues pruned to eliminate duplicates Z: 26 85.261 2.558 1.324 0.954 1.000 0.840 CB 1.972 26 residues pruned to eliminate duplicates Z: 18 47.877 2.364 0.809 0.911 1.000 0.941 CB 1.925 18 residues pruned to eliminate duplicates Z: 16 43.774 2.440 0.777 0.918 1.000 0.933 CB 1.838 16 residues pruned to eliminate duplicates Z: 11 21.327 2.236 0.344 0.845 1.000 0.800 C 1.669 11 residues pruned to eliminate duplicates Z: 19 38.109 2.377 0.476 0.931 0.944 0.833 CB 1.894 19 residues pruned to eliminate duplicates Z: 15 25.262 2.200 0.430 0.929 1.000 1.000 CB 1.502 Z: 18 39.575 2.375 0.814 0.924 0.941 0.765 CB 1.663 18 residues pruned to eliminate duplicates Z: 15 19.491 2.066 0.226 0.901 1.000 0.786 CB 1.469 Z: 26 85.979 2.613 1.318 0.934 1.000 0.880 CB 1.980 26 residues pruned to eliminate duplicates Z: 27 62.919 2.549 0.910 0.928 0.962 0.808 CB 1.846 27 residues pruned to eliminate duplicates Z: 12 18.872 2.031 0.495 0.841 0.909 0.818 C 1.538 12 residues pruned to eliminate duplicates Z: 18 47.305 2.451 0.697 0.931 1.000 0.941 CB 1.928 18 residues pruned to eliminate duplicates Z: 8 8.815 1.658 0.253 0.781 1.000 0.429 C 1.252 8 residues pruned to eliminate duplicates Z: 17 37.737 2.302 0.847 0.902 0.938 0.812 CB 1.689 17 residues pruned to eliminate duplicates Z: 9 27.107 2.394 0.490 0.932 1.000 1.000 C 1.876 9 residues pruned to eliminate duplicates Z: 9 19.474 2.364 0.046 0.926 1.000 1.000 CB 1.953 9 residues pruned to eliminate duplicates Z: 16 40.913 2.447 0.599 0.941 1.000 1.000 CB 1.874 16 residues pruned to eliminate duplicates Z: 17 35.131 2.488 0.347 0.926 1.000 1.000 CB 1.838 17 residues pruned to eliminate duplicates Z: 8 18.325 2.359 0.517 0.802 0.857 0.857 CB 1.734 8 residues pruned to eliminate duplicates Z: 15 38.999 2.425 0.704 0.915 1.000 1.000 CB 1.783 15 residues pruned to eliminate duplicates Z: 17 43.237 2.460 0.611 0.897 1.000 0.812 CA 1.951 17 residues pruned to eliminate duplicates Z: 18 53.783 2.481 0.851 0.920 1.000 0.941 CB 2.001 18 residues pruned to eliminate duplicates Z: 12 22.036 2.000 0.558 0.902 1.000 0.727 CA 1.521 12 residues pruned to eliminate duplicates Z: 18 41.171 2.456 0.617 0.936 1.000 0.941 CB 1.750 18 residues pruned to eliminate duplicates Z: 18 56.609 2.430 1.240 0.914 0.941 0.941 CB 1.895 18 residues pruned to eliminate duplicates Z: 17 50.863 2.510 0.928 0.940 1.000 0.750 CB 1.825 17 residues pruned to eliminate duplicates Z: 12 23.452 2.116 0.673 0.874 0.909 0.727 C 1.599 12 residues pruned to eliminate duplicates Z: 17 37.279 2.421 0.496 0.900 1.000 1.000 CA 1.837 17 residues pruned to eliminate duplicates Z: 12 21.394 2.094 0.464 0.831 0.909 0.727 C 1.738 12 residues pruned to eliminate duplicates Z: 18 52.461 2.447 1.162 0.942 1.000 0.706 CB 1.668 18 residues pruned to eliminate duplicates Z: 19 24.693 1.981 0.817 0.889 1.000 0.889 CB 1.165 16 residues pruned to eliminate duplicates Z: 17 26.647 2.175 0.665 0.916 1.000 0.938 CB 1.299 17 residues pruned to eliminate duplicates Z: 14 19.218 2.153 0.130 0.936 1.000 0.846 CB 1.526 15 residues pruned to eliminate duplicates Z: 17 46.526 2.512 0.785 0.950 1.000 1.000 CB 1.788 17 residues pruned to eliminate duplicates Z: 17 55.974 2.533 0.909 0.892 1.000 0.875 CB 2.079 18 residues pruned to eliminate duplicates Z: 16 20.857 1.961 0.397 0.902 1.000 0.800 CB 1.402 14 residues pruned to eliminate duplicates Z: 16 35.896 2.189 0.994 0.949 1.000 1.000 CB 1.465 18 residues pruned to eliminate duplicates Z: 17 52.543 2.542 1.015 0.939 0.938 0.938 CB 1.901 17 residues pruned to eliminate duplicates Z: 18 38.558 2.431 0.508 0.911 1.000 0.941 CB 1.808 18 residues pruned to eliminate duplicates Z: 17 46.145 2.493 0.860 0.925 1.000 0.938 CB 1.745 17 residues pruned to eliminate duplicates Z: 18 44.817 2.455 0.695 0.932 1.000 0.882 CB 1.824 18 residues pruned to eliminate duplicates Z: 12 26.416 2.089 0.707 0.928 1.000 0.727 C 1.564 12 residues pruned to eliminate duplicates Z: 14 15.879 1.927 0.262 0.935 1.000 1.000 CB 1.263 Z: 16 47.415 2.527 0.782 0.932 1.000 0.933 CB 1.898 16 residues pruned to eliminate duplicates Z: 27 70.522 2.511 1.234 0.918 0.962 0.846 CB 1.809 27 residues pruned to eliminate duplicates Z: 18 55.486 2.424 1.130 0.919 1.000 0.882 CB 1.836 18 residues pruned to eliminate duplicates Z: 67 77.853 2.470 0.709 0.748 0.985 0.758 CB 1.847 65 residues pruned to eliminate duplicates Z: 26 73.931 2.562 1.226 0.939 0.960 0.760 CB 1.877 26 residues pruned to eliminate duplicates Z: 17 43.933 2.374 0.698 0.892 1.000 0.938 CA 1.957 17 residues pruned to eliminate duplicates Z: 11 25.897 2.201 0.688 0.883 0.900 0.800 C 1.771 11 residues pruned to eliminate duplicates Z: 27 63.059 2.490 1.030 0.910 0.962 0.808 CB 1.806 27 residues pruned to eliminate duplicates Z: 16 45.683 2.428 0.885 0.914 1.000 1.000 CB 1.823 16 residues pruned to eliminate duplicates Z: 18 45.026 2.411 0.681 0.954 1.000 0.941 CB 1.853 18 residues pruned to eliminate duplicates Z: 13 17.466 2.182 0.321 0.754 0.833 0.583 CB 1.674 13 residues pruned to eliminate duplicates Z: 17 38.667 2.437 0.490 0.903 1.000 0.812 CA 1.898 17 residues pruned to eliminate duplicates Z: 18 55.989 2.458 0.931 0.940 1.000 0.824 CA 1.987 18 residues pruned to eliminate duplicates Z: 6 10.603 2.019 0.296 0.601 1.000 0.600 CA 1.646 Z: 16 41.436 2.429 0.737 0.922 1.000 1.000 CB 1.783 16 residues pruned to eliminate duplicates Z: 11 13.585 2.187 0.338 0.756 0.700 0.500 C 1.671 11 residues pruned to eliminate duplicates Z: 17 45.087 2.416 0.706 0.906 1.000 0.875 CA 1.946 17 residues pruned to eliminate duplicates Z: 16 53.429 2.491 1.177 0.937 1.000 0.933 CB 1.771 16 residues pruned to eliminate duplicates Z: 12 20.171 2.092 0.360 0.851 0.909 0.909 CB 1.741 12 residues pruned to eliminate duplicates Z: 26 67.963 2.593 0.906 0.934 1.000 0.960 CB 1.918 26 residues pruned to eliminate duplicates Z: 8 11.828 1.883 0.201 0.876 0.857 0.714 CA 1.676 8 residues pruned to eliminate duplicates Z: 7 10.410 1.763 0.650 0.715 1.000 0.500 CA 1.202 Z: 16 19.874 2.018 0.205 0.885 1.000 0.867 CB 1.524 17 residues pruned to eliminate duplicates Z: 18 38.574 2.214 0.693 0.938 1.000 1.000 CB 1.735 18 residues pruned to eliminate duplicates Z: 11 14.675 2.194 0.282 0.705 0.800 0.400 C 1.712 11 residues pruned to eliminate duplicates Z: 14 16.620 2.107 0.076 0.921 1.000 0.846 CB 1.431 14 residues pruned to eliminate duplicates Z: 12 29.182 2.120 0.787 0.912 1.000 0.636 C 1.645 12 residues pruned to eliminate duplicates Z: 11 22.665 2.099 0.473 0.906 1.000 1.000 CA 1.649 10 residues pruned to eliminate duplicates Z: 11 21.263 2.260 0.186 0.881 1.000 0.800 C 1.817 11 residues pruned to eliminate duplicates Z: 11 24.364 2.285 0.375 0.913 1.000 0.800 CB 1.737 11 residues pruned to eliminate duplicates Z: 18 47.294 2.549 0.746 0.934 0.941 0.882 CB 1.910 18 residues pruned to eliminate duplicates Z: 26 75.861 2.556 1.173 0.945 1.000 0.760 CB 1.891 26 residues pruned to eliminate duplicates Z: 16 21.074 1.951 0.341 0.894 1.000 0.867 CB 1.492 15 residues pruned to eliminate duplicates Z: 17 51.270 2.524 0.958 0.927 1.000 0.875 CB 1.817 17 residues pruned to eliminate duplicates Z: 18 30.321 2.139 0.736 0.915 1.000 0.941 CB 1.399 18 residues pruned to eliminate duplicates Z: 13 26.805 2.185 0.630 0.848 0.917 0.667 CB 1.758 13 residues pruned to eliminate duplicates Z: 17 43.888 2.432 0.606 0.902 1.000 0.938 CB 2.003 17 residues pruned to eliminate duplicates Z: 16 42.122 2.408 0.753 0.936 1.000 0.867 CB 1.795 16 residues pruned to eliminate duplicates Z: 14 19.493 2.040 0.251 0.831 1.000 0.692 CB 1.592 14 residues pruned to eliminate duplicates Z: 12 28.687 2.386 0.436 0.887 1.000 0.818 CB 1.820 12 residues pruned to eliminate duplicates Z: 12 15.224 2.128 0.200 0.751 0.909 0.727 CA 1.580 12 residues pruned to eliminate duplicates Z: 13 24.688 2.224 0.505 0.865 0.917 0.750 CB 1.702 13 residues pruned to eliminate duplicates Z: 10 19.773 2.281 0.513 0.814 0.889 0.444 C 1.635 11 residues pruned to eliminate duplicates Z: 27 52.539 2.512 0.657 0.927 0.962 0.923 CB 1.804 27 residues pruned to eliminate duplicates Z: 9 23.464 2.301 0.590 0.726 1.000 0.500 CA 1.849 Z: 27 74.058 2.532 1.160 0.916 1.000 0.885 CB 1.876 27 residues pruned to eliminate duplicates Z: 12 29.099 2.381 0.528 0.852 1.000 0.818 CB 1.783 12 residues pruned to eliminate duplicates Z: 10 9.794 1.887 0.399 0.730 0.667 0.556 C 1.508 10 residues pruned to eliminate duplicates Z: 12 26.134 2.376 0.401 0.865 1.000 0.636 CB 1.733 12 residues pruned to eliminate duplicates Z: 27 50.940 2.467 0.682 0.931 0.962 0.846 CB 1.749 27 residues pruned to eliminate duplicates Z: 9 12.709 2.022 0.547 0.730 0.750 0.500 C 1.557 8 residues pruned to eliminate duplicates Z: 19 54.220 2.389 0.894 0.935 1.000 0.889 CA 1.968 18 residues pruned to eliminate duplicates Z: 59 48.303 2.289 0.491 0.641 0.948 0.690 CB 1.717 46 residues pruned to eliminate duplicates Z: 17 41.597 2.514 0.670 0.905 1.000 1.000 CB 1.762 17 residues pruned to eliminate duplicates Z: 11 18.861 2.133 0.505 0.798 0.900 0.400 C 1.591 11 residues pruned to eliminate duplicates Z: 18 36.062 2.128 1.095 0.924 1.000 0.824 CB 1.378 18 residues pruned to eliminate duplicates Z: 17 42.873 2.394 0.653 0.904 1.000 0.875 CA 1.928 17 residues pruned to eliminate duplicates Z: 13 24.883 2.211 0.454 0.811 1.000 0.667 CB 1.705 13 residues pruned to eliminate duplicates Z: 13 23.934 2.186 0.668 0.875 0.833 0.750 CB 1.654 13 residues pruned to eliminate duplicates Z: 27 76.667 2.488 1.227 0.910 1.000 0.846 CB 1.923 27 residues pruned to eliminate duplicates Z: 9 12.854 1.909 0.176 0.823 1.000 0.500 CA 1.530 9 residues pruned to eliminate duplicates Z: 27 71.112 2.538 1.331 0.895 0.923 0.731 CB 1.831 27 residues pruned to eliminate duplicates Z: 16 36.584 2.258 0.982 0.916 1.000 0.800 CB 1.491 16 residues pruned to eliminate duplicates Z: 18 40.688 2.404 0.768 0.895 0.941 0.647 CB 1.768 18 residues pruned to eliminate duplicates Z: 26 67.183 2.544 0.980 0.923 1.000 0.880 CB 1.875 26 residues pruned to eliminate duplicates Z: 17 43.781 2.374 0.721 0.907 1.000 0.938 C 1.904 17 residues pruned to eliminate duplicates Z: 110 91.010 2.390 0.867 0.691 0.936 0.679 CB 1.753 89 residues pruned to eliminate duplicates Z: 16 36.701 2.366 0.589 0.896 1.000 0.867 CB 1.806 16 residues pruned to eliminate duplicates Z: 14 17.005 1.942 0.312 0.930 1.000 0.923 CB 1.295 14 residues pruned to eliminate duplicates Z: 14 22.822 1.996 0.664 0.942 1.000 0.923 CB 1.322 14 residues pruned to eliminate duplicates Z: 26 87.343 2.589 1.321 0.923 1.000 0.840 CB 2.043 26 residues pruned to eliminate duplicates Z: 18 41.793 2.436 0.592 0.930 1.000 0.941 CA 1.828 18 residues pruned to eliminate duplicates Z: 91 77.867 2.405 0.692 0.697 0.956 0.678 CB 1.763 91 residues pruned to eliminate duplicates Z: 9 8.036 1.742 0.212 0.769 0.875 0.750 CB 1.212 9 residues pruned to eliminate duplicates Z: 18 55.582 2.437 1.015 0.925 1.000 0.824 CB 1.927 18 residues pruned to eliminate duplicates Z: 31 41.172 2.368 0.621 0.691 0.900 0.533 CB 1.827 31 residues pruned to eliminate duplicates Z: 17 41.006 2.421 0.660 0.922 1.000 1.000 CB 1.793 17 residues pruned to eliminate duplicates Z: 12 25.676 2.333 0.410 0.828 1.000 0.818 CB 1.771 12 residues pruned to eliminate duplicates Z: 14 20.186 1.982 0.476 0.928 1.000 0.769 CB 1.340 14 residues pruned to eliminate duplicates Z: 30 40.732 2.374 0.550 0.654 0.931 0.690 CB 1.914 30 residues pruned to eliminate duplicates Z: 16 21.630 1.968 0.472 0.899 0.933 0.800 CB 1.477 16 residues pruned to eliminate duplicates Z: 15 19.625 2.050 0.150 0.928 1.000 0.929 CB 1.559 15 residues pruned to eliminate duplicates Z: 40 69.258 2.452 1.048 0.721 0.923 0.795 CB 1.960 40 residues pruned to eliminate duplicates Z: 17 49.980 2.426 0.978 0.918 1.000 0.688 CA 1.836 17 residues pruned to eliminate duplicates Z: 6 12.059 1.868 0.601 0.757 1.000 0.800 CA 1.435 6 residues pruned to eliminate duplicates Z: 13 20.911 2.175 0.543 0.780 0.833 0.667 CB 1.686 13 residues pruned to eliminate duplicates Z: 28 68.776 2.438 1.204 0.927 0.963 0.630 CB 1.794 28 residues pruned to eliminate duplicates Z: 31 28.756 2.145 0.534 0.623 0.967 0.667 CB 1.470 31 residues pruned to eliminate duplicates Z: 18 47.349 2.483 0.983 0.909 0.941 0.882 CB 1.758 18 residues pruned to eliminate duplicates Z: 14 22.569 2.001 0.657 0.940 1.000 0.923 CB 1.311 14 residues pruned to eliminate duplicates Z: 27 66.183 2.483 1.221 0.915 0.962 0.692 CB 1.730 27 residues pruned to eliminate duplicates Z: 26 83.428 2.547 1.374 0.936 1.000 0.800 CB 1.922 26 residues pruned to eliminate duplicates Z: 10 19.372 2.166 0.747 0.712 0.889 0.333 CA 1.584 9 residues pruned to eliminate duplicates Z: 28 64.281 2.415 0.980 0.947 1.000 0.889 CB 1.787 28 residues pruned to eliminate duplicates Z: 17 45.984 2.504 0.685 0.944 0.938 0.938 CA 2.013 17 residues pruned to eliminate duplicates Z: 26 63.000 2.564 0.907 0.926 0.960 0.880 CB 1.882 26 residues pruned to eliminate duplicates Z: 18 31.958 2.126 0.855 0.894 1.000 0.941 CB 1.410 18 residues pruned to eliminate duplicates Z: 27 72.770 2.496 1.284 0.922 0.962 0.769 CB 1.831 27 residues pruned to eliminate duplicates Z: 6 9.094 2.123 0.280 0.714 0.800 0.800 CB 1.541 6 residues pruned to eliminate duplicates Z: 12 23.099 2.125 0.263 0.898 1.000 0.818 C 1.857 12 residues pruned to eliminate duplicates Z: 16 20.462 2.018 0.296 0.890 0.933 0.667 CB 1.556 16 residues pruned to eliminate duplicates Z: 17 47.237 2.365 1.100 0.887 1.000 0.875 CB 1.715 17 residues pruned to eliminate duplicates Z: 69 78.067 2.440 0.817 0.729 0.941 0.676 CB 1.847 69 residues pruned to eliminate duplicates Z: 16 40.697 2.481 0.584 0.931 1.000 1.000 CB 1.868 16 residues pruned to eliminate duplicates Z: 10 15.579 2.054 0.323 0.728 1.000 0.333 CA 1.555 10 residues pruned to eliminate duplicates Z: 12 19.679 2.097 0.298 0.852 0.909 0.727 CB 1.774 12 residues pruned to eliminate duplicates Z: 11 17.570 2.098 0.315 0.795 1.000 0.600 C 1.554 11 residues pruned to eliminate duplicates Z: 15 22.055 1.941 0.610 0.918 1.000 0.786 CB 1.331 14 residues pruned to eliminate duplicates Z: 18 38.605 2.252 0.625 0.896 1.000 0.588 CB 1.833 18 residues pruned to eliminate duplicates Z: 26 88.550 2.600 1.328 0.942 1.000 0.880 CB 2.029 26 residues pruned to eliminate duplicates Z: 16 22.168 1.969 0.440 0.902 1.000 0.733 CB 1.440 16 residues pruned to eliminate duplicates Z: 18 44.371 2.402 1.018 0.914 1.000 0.706 CB 1.570 18 residues pruned to eliminate duplicates Z: 11 8.761 1.706 0.612 0.840 0.600 0.100 C 1.253 11 residues pruned to eliminate duplicates Z: 97 102.541 2.502 0.870 0.748 0.969 0.792 CB 1.850 97 residues pruned to eliminate duplicates Z: 16 21.305 1.935 0.570 0.856 1.000 0.667 CB 1.336 16 residues pruned to eliminate duplicates Z: 6 5.117 2.081 0.448 0.502 0.600 0.400 CB 1.264 6 residues pruned to eliminate duplicates Z: 8 8.417 2.025 -0.049 0.814 0.857 0.429 C 1.468 8 residues pruned to eliminate duplicates Z: 17 49.755 2.363 0.961 0.929 1.000 1.000 CB 1.879 17 residues pruned to eliminate duplicates Z: 19 54.590 2.492 1.072 0.946 0.944 0.833 CB 1.826 19 residues pruned to eliminate duplicates Z: 10 14.146 2.041 0.388 0.751 0.889 0.667 C 1.496 10 residues pruned to eliminate duplicates Z: 18 42.783 2.377 0.667 0.925 1.000 0.824 CB 1.837 18 residues pruned to eliminate duplicates Z: 11 15.609 2.145 0.297 0.831 0.800 0.600 C 1.665 11 residues pruned to eliminate duplicates Z: 13 25.431 2.227 0.496 0.864 1.000 0.583 CB 1.616 13 residues pruned to eliminate duplicates Z: 58 50.809 2.320 0.566 0.643 0.930 0.719 CB 1.743 58 residues pruned to eliminate duplicates Z: 16 51.735 2.484 0.897 0.922 1.000 0.733 CA 1.993 16 residues pruned to eliminate duplicates Z: 18 31.581 2.141 0.845 0.922 1.000 1.000 CB 1.364 18 residues pruned to eliminate duplicates Z: 30 31.849 2.138 0.553 0.654 1.000 0.690 CB 1.543 30 residues pruned to eliminate duplicates Z: 16 30.263 2.346 0.427 0.881 1.000 0.800 CB 1.691 16 residues pruned to eliminate duplicates Z: 11 25.573 2.243 0.576 0.902 1.000 0.600 C 1.631 11 residues pruned to eliminate duplicates Z: 11 21.587 2.288 0.215 0.819 1.000 0.800 CA 1.862 11 residues pruned to eliminate duplicates Z: 6 8.425 2.004 0.517 0.754 0.800 0.800 CB 1.236 6 residues pruned to eliminate duplicates Z: 18 47.376 2.452 0.818 0.861 1.000 0.765 CA 1.894 18 residues pruned to eliminate duplicates Z: 17 34.929 2.326 0.450 0.906 1.000 1.000 C 1.842 17 residues pruned to eliminate duplicates Z: 26 82.051 2.555 1.204 0.947 1.000 0.920 CB 2.014 26 residues pruned to eliminate duplicates Z: 19 57.509 2.359 1.009 0.958 1.000 0.944 CB 1.962 19 residues pruned to eliminate duplicates Z: 18 25.173 1.957 0.613 0.921 1.000 1.000 CB 1.361 18 residues pruned to eliminate duplicates Z: 10 30.503 2.209 0.977 0.885 1.000 0.778 CB 1.681 11 residues pruned to eliminate duplicates Z: 6 16.284 2.083 0.844 0.666 1.000 0.600 N 1.626 6 residues pruned to eliminate duplicates Z: 18 34.777 2.099 1.266 0.885 1.000 0.706 CB 1.281 18 residues pruned to eliminate duplicates Z: 28 30.093 2.231 0.424 0.667 1.000 0.704 CB 1.562 28 residues pruned to eliminate duplicates Z: 17 39.837 2.187 1.151 0.927 1.000 0.812 CB 1.484 17 residues pruned to eliminate duplicates Z: 11 19.077 2.029 0.317 0.921 1.000 0.700 CB 1.589 11 residues pruned to eliminate duplicates Z: 16 27.201 2.043 0.644 0.876 1.000 0.800 CB 1.520 16 residues pruned to eliminate duplicates Z: 44 32.032 2.201 0.493 0.594 0.860 0.581 CB 1.580 44 residues pruned to eliminate duplicates Z: 16 41.516 2.420 0.646 0.921 1.000 0.867 CB 1.894 16 residues pruned to eliminate duplicates Z: 17 53.873 2.360 1.216 0.941 0.938 0.938 CB 1.906 17 residues pruned to eliminate duplicates Z: 16 42.389 2.387 0.685 0.900 1.000 0.867 CB 1.944 16 residues pruned to eliminate duplicates Z: 87 80.013 2.356 0.682 0.747 0.988 0.744 CB 1.767 78 residues pruned to eliminate duplicates Z: 6 9.452 1.825 0.487 0.775 0.800 0.600 CA 1.527 6 residues pruned to eliminate duplicates Z: 18 42.303 2.379 0.561 0.941 1.000 0.882 CB 1.917 18 residues pruned to eliminate duplicates Z: 18 32.440 2.054 1.085 0.913 1.000 0.824 CB 1.300 18 residues pruned to eliminate duplicates Z: 25 58.977 2.632 0.656 0.953 1.000 1.000 CB 1.900 25 residues pruned to eliminate duplicates Z: 15 17.251 2.057 0.121 0.913 1.000 0.857 CB 1.415 15 residues pruned to eliminate duplicates Z: 11 23.067 2.209 0.519 0.787 1.000 0.500 C 1.690 11 residues pruned to eliminate duplicates Z: 33 31.872 2.227 0.553 0.613 0.969 0.625 CB 1.512 33 residues pruned to eliminate duplicates Z: 15 14.917 2.049 0.699 0.468 0.786 0.429 CB 1.505 12 residues pruned to eliminate duplicates Z: 17 42.431 2.403 0.763 0.933 1.000 0.938 CB 1.748 17 residues pruned to eliminate duplicates Z: 16 33.564 2.369 0.497 0.911 1.000 0.867 CB 1.732 16 residues pruned to eliminate duplicates Z: 7 26.939 2.258 0.807 0.863 1.000 0.833 CB 1.979 7 residues pruned to eliminate duplicates Z: 11 21.082 2.140 0.413 0.840 0.900 0.700 CB 1.828 11 residues pruned to eliminate duplicates Z: 26 80.244 2.616 1.301 0.953 0.960 0.920 CB 1.911 26 residues pruned to eliminate duplicates Z: 18 45.471 2.359 0.916 0.876 1.000 0.882 CB 1.773 18 residues pruned to eliminate duplicates Z: 26 81.735 2.604 1.135 0.944 1.000 0.960 CB 2.036 26 residues pruned to eliminate duplicates Z: 12 18.320 1.965 0.604 0.788 0.909 0.545 C 1.498 12 residues pruned to eliminate duplicates Z: 15 35.134 2.386 0.852 0.866 0.929 0.857 CB 1.676 15 residues pruned to eliminate duplicates Z: 6 5.582 1.899 0.196 0.643 0.800 0.600 CB 1.202 6 residues pruned to eliminate duplicates Z: 26 70.292 2.569 0.919 0.943 1.000 1.000 CB 1.977 26 residues pruned to eliminate duplicates Z: 17 34.894 2.313 0.523 0.897 1.000 0.875 CB 1.772 17 residues pruned to eliminate duplicates Z: 13 16.637 1.949 0.223 0.885 0.917 0.917 C 1.586 13 residues pruned to eliminate duplicates Z: 6 6.936 1.750 0.621 0.839 0.800 0.400 CB 1.021 6 residues pruned to eliminate duplicates Z: 17 42.209 2.512 0.711 0.935 1.000 1.000 CB 1.710 17 residues pruned to eliminate duplicates Z: 14 21.893 1.946 0.684 0.913 1.000 0.769 CB 1.312 14 residues pruned to eliminate duplicates Z: 17 45.257 2.342 0.859 0.904 1.000 0.688 CB 1.852 17 residues pruned to eliminate duplicates Z: 16 43.356 2.450 0.762 0.901 1.000 1.000 CB 1.851 16 residues pruned to eliminate duplicates Z: 17 60.084 2.595 1.114 0.924 1.000 0.875 CB 1.923 17 residues pruned to eliminate duplicates Z: 11 10.298 1.932 0.303 0.801 0.900 0.600 CB 1.104 11 residues pruned to eliminate duplicates Z: 17 40.710 2.446 0.651 0.901 0.938 0.812 CB 1.919 17 residues pruned to eliminate duplicates Z: 15 31.849 2.220 0.780 0.932 1.000 0.857 CB 1.505 15 residues pruned to eliminate duplicates Z: 96 88.668 2.448 0.774 0.716 0.958 0.737 CB 1.799 96 residues pruned to eliminate duplicates Z: 140 114.832 2.451 0.819 0.741 0.978 0.777 CB 1.799 140 residues pruned to eliminate duplicates Z: 21 42.262 2.374 0.841 0.881 0.900 0.700 CB 1.740 21 residues pruned to eliminate duplicates Z: 11 10.943 1.904 0.245 0.904 1.000 1.000 CB 1.039 11 residues pruned to eliminate duplicates Z: 10 8.116 1.879 0.396 0.377 1.000 0.667 CB 1.175 10 residues pruned to eliminate duplicates Z: 25 64.327 2.444 1.087 0.933 0.958 0.875 CB 1.875 25 residues pruned to eliminate duplicates Z: 6 7.356 1.722 0.757 0.702 0.800 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 18 42.335 2.186 1.078 0.903 0.882 0.765 C 1.825 18 residues pruned to eliminate duplicates Z: 9 11.833 1.972 0.058 0.756 1.000 0.875 CB 1.596 Z: 13 17.471 2.044 0.304 0.839 1.000 0.583 CB 1.413 13 residues pruned to eliminate duplicates Z: 17 35.085 2.383 0.641 0.904 0.938 0.938 CB 1.704 17 residues pruned to eliminate duplicates Z: 110 86.278 2.367 0.774 0.699 0.972 0.697 CB 1.688 111 residues pruned to eliminate duplicates Z: 6 5.814 1.693 -0.221 0.857 1.000 1.000 C 1.452 5 residues pruned to eliminate duplicates Z: 18 28.934 2.111 0.843 0.916 1.000 0.941 CB 1.274 18 residues pruned to eliminate duplicates Z: 155 113.169 2.410 0.769 0.731 0.974 0.695 CB 1.784 165 residues pruned to eliminate duplicates Z: 14 38.121 2.283 0.764 0.868 1.000 0.769 CB 1.919 14 residues pruned to eliminate duplicates Z: 33 32.183 2.135 0.762 0.619 0.938 0.594 CB 1.442 33 residues pruned to eliminate duplicates Z: 109 96.609 2.421 0.914 0.692 0.954 0.759 CB 1.765 109 residues pruned to eliminate duplicates Z: 16 29.391 2.179 0.820 0.930 1.000 0.933 CB 1.338 16 residues pruned to eliminate duplicates Z: 14 24.558 1.986 0.815 0.926 1.000 0.846 CB 1.325 14 residues pruned to eliminate duplicates Z: 17 36.299 2.174 1.032 0.887 1.000 0.875 CB 1.481 17 residues pruned to eliminate duplicates Z: 10 12.457 1.968 0.303 0.889 1.000 0.667 CB 1.166 10 residues pruned to eliminate duplicates Z: 97 93.749 2.463 0.798 0.701 0.958 0.750 CB 1.878 97 residues pruned to eliminate duplicates Z: 16 47.913 2.436 0.910 0.923 1.000 0.867 CB 1.869 16 residues pruned to eliminate duplicates Z: 11 10.913 1.927 0.152 0.897 1.000 0.700 CB 1.113 11 residues pruned to eliminate duplicates Z: 17 44.968 2.378 1.070 0.874 0.938 0.688 CB 1.774 17 residues pruned to eliminate duplicates Z: 129 98.373 2.390 0.705 0.718 0.969 0.734 CB 1.808 129 residues pruned to eliminate duplicates Z: 40 29.082 2.098 0.591 0.475 0.923 0.615 CB 1.551 40 residues pruned to eliminate duplicates Z: 15 12.283 1.884 0.467 0.418 0.929 0.571 CB 1.393 Z: 17 53.169 2.496 1.076 0.928 1.000 0.938 CB 1.797 17 residues pruned to eliminate duplicates Z: 18 39.403 2.283 0.754 0.920 1.000 0.941 CB 1.680 18 residues pruned to eliminate duplicates Z: 13 25.612 1.974 0.944 0.934 1.000 0.917 CB 1.344 13 residues pruned to eliminate duplicates Z: 14 21.079 1.967 0.729 0.939 0.923 0.846 CB 1.294 14 residues pruned to eliminate duplicates Z: 37 27.225 1.998 0.671 0.599 0.917 0.667 CB 1.349 40 residues pruned to eliminate duplicates Z: 93 88.126 2.369 0.812 0.733 0.989 0.696 CB 1.756 84 residues pruned to eliminate duplicates Z: 69 70.636 2.377 0.827 0.753 0.956 0.794 CB 1.647 69 residues pruned to eliminate duplicates Z: 18 46.989 2.324 0.955 0.908 1.000 0.706 CB 1.782 18 residues pruned to eliminate duplicates Z: 6 11.070 1.619 0.573 0.880 1.000 0.800 CA 1.409 6 residues pruned to eliminate duplicates Z: 93 67.474 2.241 0.644 0.696 0.924 0.674 CB 1.729 93 residues pruned to eliminate duplicates Z: 6 9.329 1.744 0.426 0.803 1.000 0.800 N 1.288 6 residues pruned to eliminate duplicates Z: 73 71.537 2.361 0.791 0.669 0.944 0.681 CB 1.806 73 residues pruned to eliminate duplicates Z: 91 81.058 2.384 0.785 0.692 0.967 0.689 CB 1.743 91 residues pruned to eliminate duplicates Z: 7 5.922 1.504 0.092 0.875 1.000 0.667 C 1.071 7 residues pruned to eliminate duplicates Z: 18 44.975 2.434 0.866 0.933 0.941 0.824 CB 1.781 18 residues pruned to eliminate duplicates Z: 19 40.869 2.265 0.499 0.920 1.000 1.000 CB 1.998 19 residues pruned to eliminate duplicates Z: 18 50.992 2.433 0.984 0.917 1.000 0.824 CB 1.808 18 residues pruned to eliminate duplicates Z: 43 27.287 2.023 0.553 0.598 0.905 0.571 CB 1.350 43 residues pruned to eliminate duplicates Z: 15 16.521 2.116 0.671 0.510 0.786 0.429 CB 1.575 15 residues pruned to eliminate duplicates Z: 18 50.227 2.442 0.833 0.907 1.000 0.882 C 1.935 18 residues pruned to eliminate duplicates Z: 18 48.169 2.275 1.117 0.915 0.941 0.824 CA 1.821 18 residues pruned to eliminate duplicates Z: 17 47.979 2.352 0.995 0.915 1.000 0.875 CB 1.806 17 residues pruned to eliminate duplicates Z: 42 58.235 2.382 0.935 0.752 0.976 0.805 CB 1.615 42 residues pruned to eliminate duplicates Z: 26 70.320 2.581 0.959 0.939 1.000 1.000 CB 1.933 26 residues pruned to eliminate duplicates Z: 13 23.831 2.030 0.939 0.942 0.917 0.917 CB 1.322 13 residues pruned to eliminate duplicates Z: 61 59.145 2.297 0.684 0.676 0.967 0.583 CB 1.737 61 residues pruned to eliminate duplicates Z: 11 23.567 2.181 0.788 0.834 1.000 0.800 CB 1.432 11 residues pruned to eliminate duplicates Z: 13 16.891 2.016 0.620 0.752 0.833 0.583 CB 1.431 13 residues pruned to eliminate duplicates Z: 30 26.874 1.997 0.674 0.663 0.828 0.759 CB 1.552 30 residues pruned to eliminate duplicates Z: 9 22.541 2.294 0.627 0.703 1.000 0.375 CA 1.776 9 residues pruned to eliminate duplicates Z: 106 92.596 2.425 0.759 0.735 0.962 0.733 CB 1.783 106 residues pruned to eliminate duplicates Z: 16 26.184 2.104 0.764 0.949 1.000 1.000 CB 1.257 16 residues pruned to eliminate duplicates Z: 31 27.746 2.067 0.743 0.545 0.933 0.700 CB 1.442 31 residues pruned to eliminate duplicates Z: 14 20.628 1.958 0.720 0.926 0.923 0.923 CB 1.290 14 residues pruned to eliminate duplicates Z: 17 44.025 2.356 0.797 0.927 1.000 1.000 CB 1.822 17 residues pruned to eliminate duplicates Z: 11 13.948 1.930 0.408 0.864 1.000 0.700 CB 1.189 11 residues pruned to eliminate duplicates Z: 18 34.451 2.063 0.972 0.917 1.000 0.882 CB 1.449 18 residues pruned to eliminate duplicates Z: 15 22.782 2.273 0.691 0.453 1.000 0.643 CB 1.662 15 residues pruned to eliminate duplicates Z: 116 109.609 2.459 0.929 0.740 0.965 0.800 CB 1.800 116 residues pruned to eliminate duplicates Z: 8 6.078 1.766 0.295 0.491 1.000 0.714 CB 1.014 8 residues pruned to eliminate duplicates Z: 14 13.535 1.941 0.647 0.366 1.000 0.385 CB 1.356 14 residues pruned to eliminate duplicates Z: 26 38.574 2.280 0.654 0.646 1.000 0.600 CB 1.785 26 residues pruned to eliminate duplicates Z: 14 13.292 1.999 0.153 0.647 0.846 0.692 C 1.648 14 residues pruned to eliminate duplicates Z: 95 70.538 2.257 0.647 0.696 0.947 0.723 CB 1.728 95 residues pruned to eliminate duplicates Z: 16 23.639 2.231 0.757 0.462 1.000 0.533 CB 1.619 16 residues pruned to eliminate duplicates Z: 12 12.986 1.815 0.385 0.856 1.000 0.727 CB 1.149 12 residues pruned to eliminate duplicates Z: 6 7.502 1.768 0.313 0.791 0.800 0.600 CB 1.399 6 residues pruned to eliminate duplicates Z: 18 41.624 2.467 0.423 0.932 1.000 0.882 CA 2.008 18 residues pruned to eliminate duplicates Z: 16 18.014 2.249 0.231 0.533 0.933 0.467 CB 1.743 16 residues pruned to eliminate duplicates Z: 59 59.862 2.327 0.841 0.761 0.948 0.741 CB 1.535 59 residues pruned to eliminate duplicates Z: 8 12.908 1.856 0.906 0.823 1.000 0.857 CB 1.042 8 residues pruned to eliminate duplicates Z: 17 44.867 2.363 0.753 0.925 1.000 1.000 CB 1.900 17 residues pruned to eliminate duplicates Z: 12 27.241 2.348 0.592 0.836 1.000 0.909 CB 1.645 12 residues pruned to eliminate duplicates Z: 16 29.919 2.207 0.726 0.940 1.000 1.000 CB 1.409 16 residues pruned to eliminate duplicates Z: 27 68.167 2.511 1.166 0.917 0.962 0.846 CB 1.804 27 residues pruned to eliminate duplicates Z: 127 96.302 2.400 0.800 0.675 0.968 0.738 CB 1.745 127 residues pruned to eliminate duplicates Z: 6 5.760 1.838 0.060 0.846 0.800 0.800 CA 1.228 6 residues pruned to eliminate duplicates Z: 14 11.841 1.871 0.495 0.435 0.923 0.769 CB 1.359 14 residues pruned to eliminate duplicates Z: 153 106.441 2.414 0.649 0.728 0.967 0.796 CB 1.826 153 residues pruned to eliminate duplicates Z: 94 79.891 2.365 0.768 0.735 0.968 0.731 CB 1.658 94 residues pruned to eliminate duplicates Z: 9 6.406 1.628 0.468 0.664 0.875 0.750 CB 0.931 9 residues pruned to eliminate duplicates Z: 26 69.919 2.526 1.058 0.916 0.960 0.760 CB 1.979 26 residues pruned to eliminate duplicates Z: 13 17.108 2.008 0.331 0.863 0.833 0.750 CB 1.628 13 residues pruned to eliminate duplicates Z: 51 60.424 2.456 0.697 0.685 0.940 0.780 CB 1.841 51 residues pruned to eliminate duplicates Z: 7 7.321 1.791 0.113 0.500 1.000 0.667 CB 1.499 7 residues pruned to eliminate duplicates Z: 14 26.794 2.114 0.569 0.913 1.000 0.846 CB 1.586 14 residues pruned to eliminate duplicates Z: 16 51.472 2.432 0.983 0.928 1.000 1.000 CA 1.931 16 residues pruned to eliminate duplicates Z: 96 84.272 2.395 0.786 0.722 0.958 0.705 CB 1.727 96 residues pruned to eliminate duplicates Z: 97 82.556 2.404 0.828 0.675 0.938 0.729 CB 1.739 97 residues pruned to eliminate duplicates Z: 14 27.931 2.287 0.842 0.679 0.923 0.846 C 1.690 14 residues pruned to eliminate duplicates Z: 157 107.108 2.384 0.819 0.678 0.949 0.609 CB 1.770 158 residues pruned to eliminate duplicates Z: 69 58.804 2.320 0.646 0.648 0.941 0.647 CB 1.728 69 residues pruned to eliminate duplicates Z: 29 54.054 2.474 1.040 0.625 0.964 0.786 CB 1.866 29 residues pruned to eliminate duplicates Z: 29 40.468 2.384 0.574 0.760 0.893 0.643 CB 1.811 29 residues pruned to eliminate duplicates Z: 21 28.909 2.132 1.029 0.708 0.900 0.900 CB 1.374 21 residues pruned to eliminate duplicates Z: 16 42.852 2.389 0.806 0.917 1.000 0.800 CB 1.810 16 residues pruned to eliminate duplicates Z: 18 23.180 2.008 0.801 0.900 1.000 0.824 CB 1.111 18 residues pruned to eliminate duplicates Z: 12 29.464 2.072 0.775 0.941 1.000 0.818 C 1.677 12 residues pruned to eliminate duplicates Z: 11 30.426 2.458 1.107 0.747 0.900 0.600 CB 1.655 11 residues pruned to eliminate duplicates Z: 6 6.768 1.842 0.521 0.526 1.000 0.800 CA 1.052 6 residues pruned to eliminate duplicates Z: 24 61.842 2.412 1.192 0.816 0.957 0.826 CB 1.939 24 residues pruned to eliminate duplicates Z: 36 48.647 2.297 0.660 0.674 1.000 0.714 CB 1.836 36 residues pruned to eliminate duplicates Z: 64 65.094 2.343 0.808 0.753 0.937 0.762 CB 1.650 64 residues pruned to eliminate duplicates Z: 34 24.544 1.978 0.567 0.660 0.909 0.667 CB 1.306 34 residues pruned to eliminate duplicates Z: 53 51.287 2.294 0.634 0.646 0.962 0.635 CB 1.721 53 residues pruned to eliminate duplicates Z: 26 77.285 2.555 1.249 0.941 1.000 0.920 CB 1.866 26 residues pruned to eliminate duplicates Z: 37 26.419 1.948 0.658 0.580 0.972 0.611 CB 1.298 37 residues pruned to eliminate duplicates Z: 14 16.530 1.984 0.110 0.919 1.000 0.923 CB 1.467 14 residues pruned to eliminate duplicates Z: 11 9.124 1.893 0.093 0.850 0.900 0.700 CB 1.147 11 residues pruned to eliminate duplicates Z: 41 40.581 2.207 0.609 0.621 0.975 0.575 CB 1.654 41 residues pruned to eliminate duplicates Z: 11 28.712 2.150 0.785 0.930 1.000 0.800 C 1.654 11 residues pruned to eliminate duplicates Z: 11 8.204 1.855 0.096 0.835 0.900 0.600 CB 1.062 11 residues pruned to eliminate duplicates Z: 7 5.271 1.479 0.208 0.777 0.833 0.833 C 1.132 7 residues pruned to eliminate duplicates Z: 6 2.785 1.672 0.564 0.100 0.600 0.200 CB 1.323 Z: 34 39.446 2.238 0.590 0.750 0.909 0.788 CB 1.698 34 residues pruned to eliminate duplicates Z: 32 42.525 2.346 0.661 0.698 1.000 0.645 CB 1.635 32 residues pruned to eliminate duplicates Z: 18 49.602 2.445 0.901 0.920 1.000 0.765 CB 1.822 18 residues pruned to eliminate duplicates Z: 69 79.963 2.466 0.788 0.742 0.971 0.750 CB 1.824 69 residues pruned to eliminate duplicates Z: 128 95.738 2.395 0.706 0.718 0.953 0.740 CB 1.791 128 residues pruned to eliminate duplicates Z: 33 56.411 2.526 0.964 0.643 0.906 0.781 CB 1.941 33 residues pruned to eliminate duplicates Z: 38 69.953 2.481 0.924 0.790 0.973 0.784 CB 1.921 38 residues pruned to eliminate duplicates Z: 28 42.157 2.373 0.763 0.680 0.963 0.741 CB 1.707 28 residues pruned to eliminate duplicates Z: 8 11.263 2.087 0.088 0.815 1.000 1.000 CB 1.425 8 residues pruned to eliminate duplicates Z: 17 38.836 2.359 0.636 0.918 1.000 0.875 CB 1.775 17 residues pruned to eliminate duplicates Z: 7 12.658 2.206 0.211 0.850 1.000 1.000 CB 1.432 7 residues pruned to eliminate duplicates Z: 10 24.705 2.118 1.055 0.840 0.889 0.667 CA 1.588 10 residues pruned to eliminate duplicates Z: 20 23.693 2.126 0.776 0.485 0.895 0.684 CA 1.633 20 residues pruned to eliminate duplicates Z: 17 30.321 2.262 0.593 0.691 1.000 0.812 CB 1.767 17 residues pruned to eliminate duplicates Z: 71 62.694 2.263 0.845 0.665 0.943 0.657 CB 1.634 71 residues pruned to eliminate duplicates Z: 6 3.133 1.488 0.150 0.485 0.800 0.800 N 1.038 Z: 95 84.830 2.349 0.814 0.731 0.947 0.766 CB 1.762 95 residues pruned to eliminate duplicates Z: 19 43.083 2.323 0.720 0.886 1.000 0.778 CB 1.834 19 residues pruned to eliminate duplicates Z: 7 5.083 1.479 0.127 0.815 1.000 0.667 CA 0.947 7 residues pruned to eliminate duplicates Z: 15 18.194 1.947 0.441 0.914 1.000 0.857 CB 1.226 15 residues pruned to eliminate duplicates Z: 125 97.213 2.387 0.812 0.679 0.944 0.621 CB 1.815 125 residues pruned to eliminate duplicates Z: 13 13.195 1.936 0.785 0.535 0.833 0.583 CB 1.278 13 residues pruned to eliminate duplicates Z: 9 10.121 1.817 0.426 0.836 1.000 0.750 CB 1.034 9 residues pruned to eliminate duplicates Z: 7 9.392 1.918 1.123 0.240 1.000 0.500 CA 1.272 7 residues pruned to eliminate duplicates Z: 17 36.617 2.430 0.771 0.879 0.875 0.875 CB 1.762 17 residues pruned to eliminate duplicates Z: 118 105.966 2.449 0.874 0.733 0.957 0.778 CB 1.808 118 residues pruned to eliminate duplicates Z: 10 11.480 1.909 0.636 0.442 1.000 0.667 CB 1.300 10 residues pruned to eliminate duplicates Z: 87 68.195 2.302 0.647 0.669 0.953 0.698 CB 1.741 87 residues pruned to eliminate duplicates Z: 110 88.882 2.367 0.868 0.679 0.927 0.697 CB 1.763 110 residues pruned to eliminate duplicates Z: 76 77.973 2.311 0.999 0.728 0.947 0.813 CB 1.677 230 residues pruned to eliminate duplicates Z: 23 52.874 2.406 0.973 0.904 0.955 0.864 CB 1.771 23 residues pruned to eliminate duplicates Z: 11 11.639 1.892 0.275 0.847 1.000 0.900 CB 1.132 11 residues pruned to eliminate duplicates Z: 12 25.270 2.319 0.395 0.893 1.000 0.727 CB 1.690 12 residues pruned to eliminate duplicates Z: 84 81.982 2.395 0.860 0.652 0.964 0.663 CB 1.820 Z: 17 25.614 1.864 0.824 0.901 0.938 0.812 CB 1.434 17 residues pruned to eliminate duplicates Z: 12 31.771 2.558 0.424 0.845 1.000 1.000 CA 1.956 12 residues pruned to eliminate duplicates Z: 51 39.551 2.081 0.741 0.623 0.960 0.660 CB 1.431 51 residues pruned to eliminate duplicates Z: 37 59.351 2.391 0.718 0.821 1.000 0.889 CB 1.823 37 residues pruned to eliminate duplicates Z: 157 99.664 2.371 0.711 0.681 0.955 0.667 CB 1.744 241 residues pruned to eliminate duplicates Z: 17 25.638 1.840 0.824 0.919 1.000 0.875 CB 1.346 Z: 8 8.131 1.863 0.177 0.768 0.857 0.857 CA 1.290 Z: 6 7.557 1.959 0.080 0.796 1.000 1.000 CB 1.232 Z: 36 58.752 2.461 0.831 0.720 0.943 0.771 CB 1.916 6 residues pruned to eliminate duplicates Z: 18 69.156 2.452 1.501 0.944 1.000 0.824 CB 1.893 18 residues pruned to eliminate duplicates Z: 26 81.944 2.607 1.197 0.943 1.000 0.960 CB 1.983 26 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 180 108.293 2.383 0.634 0.708 0.961 0.749 CB 1.790 180 residues pruned to eliminate duplicates Z: 46 31.046 2.264 0.390 0.547 0.911 0.578 CB 1.542 23 residues pruned to eliminate duplicates Z: 6 8.415 2.050 0.764 0.464 1.000 0.400 CB 1.079 6 residues pruned to eliminate duplicates Z: 58 50.732 2.329 0.461 0.676 0.965 0.667 CB 1.741 58 residues pruned to eliminate duplicates Z: 6 10.613 2.065 0.940 0.419 1.000 0.000 CA 1.289 6 residues pruned to eliminate duplicates Z: 113 74.198 2.380 0.556 0.656 0.929 0.652 CB 1.764 76 residues pruned to eliminate duplicates Z: 6 2.407 1.862 0.302 0.275 0.600 0.400 CA 0.955 6 residues pruned to eliminate duplicates Z: 28 27.335 2.238 0.398 0.639 0.963 0.741 CB 1.533 28 residues pruned to eliminate duplicates Z: 45 33.677 2.218 0.497 0.564 0.932 0.614 CB 1.542 45 residues pruned to eliminate duplicates Z: 47 33.078 2.245 0.454 0.565 0.891 0.587 CB 1.575 47 residues pruned to eliminate duplicates Z: 59 54.043 2.312 0.609 0.668 0.931 0.672 CB 1.754 59 residues pruned to eliminate duplicates Z: 7 10.583 2.031 0.356 0.489 1.000 0.500 CA 1.587 7 residues pruned to eliminate duplicates Z: 58 58.332 2.343 0.593 0.694 0.982 0.649 CB 1.765 58 residues pruned to eliminate duplicates Z: 16 18.404 2.031 0.177 0.861 1.000 0.867 CB 1.461 16 residues pruned to eliminate duplicates Z: 43 36.283 2.262 0.481 0.605 0.952 0.524 CB 1.588 43 residues pruned to eliminate duplicates Z: 60 55.583 2.272 0.726 0.661 0.949 0.559 CB 1.675 60 residues pruned to eliminate duplicates Z: 59 53.062 2.296 0.576 0.662 0.983 0.655 CB 1.687 59 residues pruned to eliminate duplicates Z: 14 21.867 2.131 0.312 0.921 1.000 0.769 CB 1.526 14 residues pruned to eliminate duplicates Z: 28 35.701 2.244 0.650 0.658 1.000 0.704 CB 1.603 28 residues pruned to eliminate duplicates Z: 17 21.373 1.946 0.407 0.862 1.000 0.750 CB 1.433 17 residues pruned to eliminate duplicates Z: 32 32.029 2.168 0.631 0.602 0.968 0.677 CB 1.526 32 residues pruned to eliminate duplicates Z: 14 26.739 2.157 0.587 0.949 1.000 0.769 CB 1.495 14 residues pruned to eliminate duplicates Z: 43 40.487 2.279 0.600 0.600 0.952 0.643 CB 1.636 43 residues pruned to eliminate duplicates Z: 16 25.810 2.041 0.556 0.880 1.000 0.867 CB 1.521 16 residues pruned to eliminate duplicates Z: 57 59.736 2.325 0.745 0.685 0.946 0.643 CB 1.755 57 residues pruned to eliminate duplicates Z: 58 58.290 2.316 0.730 0.665 0.965 0.596 CB 1.714 58 residues pruned to eliminate duplicates Z: 44 36.800 2.212 0.583 0.588 0.907 0.512 CB 1.624 44 residues pruned to eliminate duplicates Z: 57 53.278 2.338 0.571 0.669 0.946 0.607 CB 1.752 57 residues pruned to eliminate duplicates Z: 57 55.514 2.326 0.608 0.677 0.964 0.571 CB 1.748 57 residues pruned to eliminate duplicates Z: 28 53.793 2.470 0.740 0.751 0.963 0.704 C 2.000 28 residues pruned to eliminate duplicates Z: 25 18.904 2.164 0.131 0.520 0.958 0.458 CB 1.612 25 residues pruned to eliminate duplicates Z: 58 51.567 2.320 0.530 0.654 0.947 0.667 CB 1.761 58 residues pruned to eliminate duplicates Z: 7 15.516 1.807 0.895 0.841 1.000 0.667 C 1.379 7 residues pruned to eliminate duplicates Z: 42 43.018 2.285 0.623 0.612 0.976 0.561 CB 1.670 42 residues pruned to eliminate duplicates Z: 58 57.937 2.306 0.693 0.680 0.947 0.614 CB 1.758 58 residues pruned to eliminate duplicates Z: 15 15.275 2.358 0.191 0.522 0.786 0.357 CB 1.811 15 residues pruned to eliminate duplicates Z: 43 39.170 2.271 0.507 0.614 0.976 0.571 CB 1.625 43 residues pruned to eliminate duplicates Z: 79 70.274 2.386 0.768 0.659 0.872 0.628 CB 1.867 79 residues pruned to eliminate duplicates Z: 12 14.615 2.210 0.558 0.611 0.636 0.364 CA 1.810 12 residues pruned to eliminate duplicates Z: 80 81.609 2.444 0.686 0.720 0.975 0.785 CB 1.874 80 residues pruned to eliminate duplicates Z: 57 60.294 2.340 0.746 0.689 0.964 0.696 CB 1.719 57 residues pruned to eliminate duplicates Z: 25 32.385 2.270 0.540 0.655 0.875 0.792 CB 1.871 25 residues pruned to eliminate duplicates Z: 17 45.306 2.360 0.801 0.882 1.000 0.875 CA 1.928 17 residues pruned to eliminate duplicates Z: 22 42.369 2.428 0.656 0.749 0.905 0.810 CB 2.035 22 residues pruned to eliminate duplicates Z: 31 44.172 2.390 0.662 0.663 0.933 0.667 CB 1.870 31 residues pruned to eliminate duplicates Z: 71 77.784 2.473 0.681 0.733 0.957 0.814 CB 1.896 71 residues pruned to eliminate duplicates Z: 108 86.549 2.380 0.788 0.659 0.944 0.626 CB 1.797 109 residues pruned to eliminate duplicates Z: 19 47.704 2.328 0.986 0.869 0.944 0.889 CA 1.881 19 residues pruned to eliminate duplicates Z: 20 36.466 2.305 0.665 0.737 0.947 0.842 CB 1.859 20 residues pruned to eliminate duplicates Z: 18 34.995 2.307 0.859 0.770 0.882 0.706 CB 1.766 18 residues pruned to eliminate duplicates Z: 19 49.052 2.460 0.952 0.776 0.944 0.944 CB 1.998 19 residues pruned to eliminate duplicates Z: 22 47.452 2.444 0.744 0.735 0.952 0.762 CA 2.066 22 residues pruned to eliminate duplicates Z: 18 40.813 2.345 0.682 0.816 1.000 0.941 CA 1.907 18 residues pruned to eliminate duplicates Z: 72 78.049 2.479 0.666 0.739 0.972 0.746 CB 1.862 72 residues pruned to eliminate duplicates Z: 67 77.319 2.478 0.668 0.752 0.985 0.758 CB 1.868 67 residues pruned to eliminate duplicates Z: 112 89.784 2.397 0.737 0.685 0.964 0.613 CB 1.792 112 residues pruned to eliminate duplicates Z: 6 6.814 1.815 0.411 0.364 1.000 0.600 C 1.377 6 residues pruned to eliminate duplicates Z: 56 66.622 2.482 0.691 0.682 0.964 0.691 CB 1.879 56 residues pruned to eliminate duplicates Z: 143 105.992 2.405 0.701 0.740 0.972 0.775 CB 1.804 143 residues pruned to eliminate duplicates Z: 106 94.561 2.424 0.758 0.717 0.962 0.752 CB 1.850 218 residues pruned to eliminate duplicates Z: 72 79.102 2.475 0.674 0.739 0.972 0.761 CB 1.881 Z: 20 46.435 2.500 0.759 0.811 1.000 0.895 CB 1.849 20 residues pruned to eliminate duplicates Z: 54 61.735 2.414 0.675 0.669 0.943 0.774 CB 1.901 60 residues pruned to eliminate duplicates Z: 18 37.641 2.453 0.724 0.881 0.882 0.824 CB 1.772 18 residues pruned to eliminate duplicates Z: 70 79.161 2.484 0.677 0.738 0.971 0.710 CB 1.902 65 residues pruned to eliminate duplicates Z: 17 49.392 2.562 0.777 0.931 1.000 0.875 CB 1.895 17 residues pruned to eliminate duplicates Z: 74 76.559 2.466 0.764 0.712 0.918 0.726 CB 1.852 72 residues pruned to eliminate duplicates Z: 18 49.973 2.504 0.857 0.926 1.000 0.824 CB 1.828 18 residues pruned to eliminate duplicates Z: 43 62.957 2.445 0.938 0.661 0.929 0.619 CB 1.901 43 residues pruned to eliminate duplicates Z: 112 84.654 2.393 0.667 0.683 0.955 0.694 CB 1.783 73 residues pruned to eliminate duplicates Z: 17 47.018 2.516 0.955 0.918 0.938 0.812 CB 1.798 17 residues pruned to eliminate duplicates Z: 57 67.331 2.442 0.837 0.683 0.929 0.679 CB 1.826 57 residues pruned to eliminate duplicates Z: 57 69.836 2.452 0.846 0.681 0.946 0.679 CB 1.844 57 residues pruned to eliminate duplicates Z: 17 48.253 2.453 1.162 0.887 0.938 0.875 CB 1.749 17 residues pruned to eliminate duplicates Z: 61 69.339 2.404 0.819 0.674 0.950 0.667 CB 1.837 61 residues pruned to eliminate duplicates Z: 148 113.932 2.388 0.832 0.728 0.973 0.707 CB 1.798 148 residues pruned to eliminate duplicates Z: 73 82.010 2.461 0.870 0.709 0.931 0.722 CB 1.867 73 residues pruned to eliminate duplicates Z: 20 51.934 2.404 1.180 0.840 0.947 0.789 CB 1.791 20 residues pruned to eliminate duplicates Z: 69 73.296 2.447 0.735 0.730 0.941 0.824 CB 1.809 69 residues pruned to eliminate duplicates Z: 57 70.968 2.456 0.859 0.704 0.929 0.679 CB 1.859 57 residues pruned to eliminate duplicates Z: 17 41.094 2.423 0.523 0.910 1.000 1.000 CA 1.974 17 residues pruned to eliminate duplicates Z: 128 102.388 2.418 0.778 0.725 0.961 0.780 CB 1.796 128 residues pruned to eliminate duplicates Z: 108 90.389 2.404 0.741 0.704 0.972 0.729 CB 1.784 112 residues pruned to eliminate duplicates Z: 17 38.302 2.424 0.500 0.887 1.000 0.875 CB 1.898 17 residues pruned to eliminate duplicates Z: 72 77.924 2.451 0.713 0.734 0.972 0.746 CB 1.837 67 residues pruned to eliminate duplicates Z: 17 40.659 2.423 0.565 0.895 1.000 0.938 CA 1.922 17 residues pruned to eliminate duplicates Z: 33 48.790 2.422 0.633 0.730 0.969 0.781 CB 1.830 34 residues pruned to eliminate duplicates Z: 17 40.496 2.442 0.560 0.899 1.000 0.812 CA 1.899 17 residues pruned to eliminate duplicates Z: 141 114.692 2.442 0.778 0.753 0.979 0.779 CB 1.820 253 residues pruned to eliminate duplicates Z: 135 109.366 2.433 0.785 0.739 0.963 0.813 CB 1.824 135 residues pruned to eliminate duplicates Z: 49 67.767 2.448 0.813 0.732 0.979 0.812 CB 1.827 Z: 17 43.546 2.464 0.659 0.891 1.000 0.938 CA 1.914 17 residues pruned to eliminate duplicates Z: 71 82.153 2.463 0.859 0.724 0.957 0.686 CB 1.831 49 residues pruned to eliminate duplicates Z: 18 41.866 2.313 0.664 0.910 1.000 0.941 CA 1.870 18 residues pruned to eliminate duplicates Z: 156 105.892 2.390 0.710 0.710 0.942 0.742 CB 1.825 227 residues pruned to eliminate duplicates Z: 19 26.332 2.191 0.556 0.645 1.000 0.778 CB 1.589 Z: 13 11.551 1.972 0.103 0.657 0.833 0.583 CB 1.590 13 residues pruned to eliminate duplicates Z: 76 70.138 2.344 0.696 0.726 0.933 0.800 CB 1.780 76 residues pruned to eliminate duplicates Z: 81 71.162 2.352 0.703 0.696 0.925 0.688 CB 1.794 81 residues pruned to eliminate duplicates Z: 105 85.208 2.388 0.773 0.670 0.942 0.663 CB 1.790 19 residues pruned to eliminate duplicates Z: 12 27.375 2.159 0.590 0.898 1.000 0.909 C 1.719 12 residues pruned to eliminate duplicates Z: 11 31.076 2.307 0.688 0.896 1.000 0.900 CB 1.807 12 residues pruned to eliminate duplicates Z: 11 26.542 2.287 0.499 0.892 1.000 0.500 CB 1.760 11 residues pruned to eliminate duplicates Z: 106 95.810 2.426 0.752 0.737 0.971 0.771 CB 1.830 210 residues pruned to eliminate duplicates Z: 18 23.528 2.201 0.682 0.550 0.882 0.412 CB 1.664 Z: 16 25.654 2.282 0.611 0.690 0.867 0.400 CB 1.747 18 residues pruned to eliminate duplicates Z: 16 28.498 2.275 0.636 0.712 0.933 0.600 CB 1.748 16 residues pruned to eliminate duplicates Z: 6 8.890 2.079 0.309 0.621 0.800 0.400 CB 1.629 5 residues pruned to eliminate duplicates Z: 6 6.072 2.142 0.275 0.524 0.600 0.400 CB 1.618 6 residues pruned to eliminate duplicates Z: 57 59.702 2.320 0.732 0.701 0.946 0.714 CB 1.746 74 residues pruned to eliminate duplicates Z: 183 115.219 2.381 0.746 0.709 0.962 0.698 CB 1.768 183 residues pruned to eliminate duplicates Z: 93 77.094 2.353 0.662 0.725 0.946 0.717 CB 1.775 93 residues pruned to eliminate duplicates Z: 182 111.064 2.360 0.697 0.712 0.978 0.718 CB 1.739 181 residues pruned to eliminate duplicates Z: 18 54.763 2.411 0.931 0.882 1.000 0.824 CA 2.064 Z: 16 58.035 2.611 0.791 0.946 1.000 1.000 CB 2.217 17 residues pruned to eliminate duplicates Z: 18 46.525 2.401 0.626 0.939 1.000 0.882 CB 2.008 18 residues pruned to eliminate duplicates Z: 174 117.364 2.412 0.760 0.719 0.965 0.717 CB 1.786 191 residues pruned to eliminate duplicates Z: 42 60.480 2.376 0.825 0.723 0.976 0.707 CB 1.826 Z: 18 57.701 2.420 0.945 0.921 1.000 0.706 CA 2.092 18 residues pruned to eliminate duplicates Z: 19 49.627 2.324 1.081 0.857 1.000 0.889 CB 1.782 19 residues pruned to eliminate duplicates Z: 87 81.467 2.379 0.752 0.721 0.965 0.709 CB 1.788 87 residues pruned to eliminate duplicates Z: 142 114.800 2.426 0.772 0.755 0.986 0.787 CB 1.818 184 residues pruned to eliminate duplicates Z: 18 59.600 2.454 1.132 0.944 1.000 0.941 CB 1.913 Z: 18 54.437 2.419 0.942 0.932 1.000 0.882 CB 1.963 18 residues pruned to eliminate duplicates Z: 95 84.706 2.345 0.755 0.725 0.989 0.734 CB 1.752 95 residues pruned to eliminate duplicates Z: 95 78.941 2.315 0.786 0.717 0.947 0.702 CB 1.709 95 residues pruned to eliminate duplicates Z: 90 98.071 2.493 0.828 0.767 0.966 0.764 CB 1.863 18 residues pruned to eliminate duplicates Z: 18 55.069 2.419 0.944 0.931 1.000 0.941 C 1.985 18 residues pruned to eliminate duplicates Z: 182 116.383 2.393 0.712 0.717 0.972 0.680 CB 1.785 182 residues pruned to eliminate duplicates Z: 95 77.124 2.285 0.746 0.714 0.947 0.755 CB 1.735 185 residues pruned to eliminate duplicates Z: 97 98.094 2.446 0.816 0.730 0.958 0.729 CB 1.912 Z: 17 34.739 2.185 0.756 0.862 1.000 0.875 C 1.662 17 residues pruned to eliminate duplicates Z: 115 90.858 2.364 0.782 0.671 0.956 0.684 CB 1.804 194 residues pruned to eliminate duplicates Z: 16 38.776 2.392 0.627 0.906 1.000 0.600 CB 1.830 16 residues pruned to eliminate duplicates Z: 107 83.371 2.411 0.674 0.722 0.943 0.736 CB 1.740 107 residues pruned to eliminate duplicates Z: 58 55.667 2.291 0.858 0.673 0.947 0.667 CB 1.559 58 residues pruned to eliminate duplicates Z: 106 88.836 2.420 0.760 0.725 0.962 0.752 CB 1.728 106 residues pruned to eliminate duplicates Z: 129 99.730 2.449 0.700 0.720 0.969 0.781 CB 1.792 129 residues pruned to eliminate duplicates Z: 107 91.125 2.425 0.758 0.722 0.962 0.774 CB 1.766 107 residues pruned to eliminate duplicates Z: 57 55.192 2.338 0.758 0.671 0.946 0.714 CB 1.618 57 residues pruned to eliminate duplicates Z: 129 96.697 2.462 0.685 0.721 0.945 0.773 CB 1.785 129 residues pruned to eliminate duplicates Z: 144 105.628 2.460 0.688 0.739 0.965 0.769 CB 1.779 144 residues pruned to eliminate duplicates Z: 145 109.452 2.459 0.687 0.744 0.979 0.806 CB 1.806 145 residues pruned to eliminate duplicates Z: 73 70.385 2.374 0.824 0.723 0.958 0.694 CB 1.634 73 residues pruned to eliminate duplicates Z: 128 104.771 2.468 0.799 0.728 0.945 0.764 CB 1.805 128 residues pruned to eliminate duplicates Z: 106 87.124 2.428 0.707 0.740 0.943 0.848 CB 1.755 106 residues pruned to eliminate duplicates Z: 93 89.428 2.485 0.709 0.706 0.967 0.728 CB 1.883 93 residues pruned to eliminate duplicates Z: 77 70.614 2.354 0.776 0.703 0.974 0.724 CB 1.654 77 residues pruned to eliminate duplicates Z: 73 74.430 2.396 0.814 0.712 0.986 0.764 CB 1.689 73 residues pruned to eliminate duplicates Z: 96 80.987 2.434 0.602 0.712 0.947 0.758 CB 1.857 96 residues pruned to eliminate duplicates Z: 67 67.942 2.439 0.616 0.703 0.939 0.727 CB 1.878 67 residues pruned to eliminate duplicates Z: 30 46.818 2.385 0.686 0.730 1.000 0.793 CB 1.758 30 residues pruned to eliminate duplicates Z: 88 90.841 2.522 0.664 0.724 0.977 0.747 CB 1.942 88 residues pruned to eliminate duplicates Z: 73 67.903 2.388 0.773 0.723 0.931 0.778 CB 1.660 73 residues pruned to eliminate duplicates Z: 78 79.482 2.517 0.640 0.733 0.935 0.753 CB 1.903 78 residues pruned to eliminate duplicates Z: 71 70.485 2.397 0.778 0.748 0.971 0.814 CB 1.631 71 residues pruned to eliminate duplicates Z: 106 102.150 2.504 0.755 0.733 0.971 0.781 CB 1.894 106 residues pruned to eliminate duplicates Z: 144 113.207 2.461 0.768 0.738 0.965 0.776 CB 1.822 144 residues pruned to eliminate duplicates Z: 156 110.224 2.430 0.755 0.710 0.968 0.710 CB 1.773 156 residues pruned to eliminate duplicates Z: 85 73.832 2.337 0.829 0.697 0.952 0.738 CB 1.653 85 residues pruned to eliminate duplicates Z: 97 87.691 2.436 0.731 0.704 0.948 0.677 CB 1.860 97 residues pruned to eliminate duplicates Z: 57 62.138 2.343 0.918 0.688 0.964 0.750 CB 1.613 57 residues pruned to eliminate duplicates Z: 106 96.674 2.494 0.684 0.740 0.971 0.771 CB 1.866 106 residues pruned to eliminate duplicates Z: 97 88.229 2.440 0.695 0.709 0.969 0.740 CB 1.858 97 residues pruned to eliminate duplicates Z: 40 52.076 2.471 0.627 0.678 0.923 0.615 CB 1.907 40 residues pruned to eliminate duplicates Z: 132 114.409 2.468 0.886 0.736 0.954 0.733 CB 1.822 132 residues pruned to eliminate duplicates Z: 93 77.407 2.455 0.599 0.695 0.946 0.717 CB 1.818 93 residues pruned to eliminate duplicates Z: 111 84.275 2.375 0.726 0.711 0.964 0.764 CB 1.680 111 residues pruned to eliminate duplicates Z: 108 89.447 2.387 0.833 0.691 0.935 0.664 CB 1.776 108 residues pruned to eliminate duplicates Z: 69 68.488 2.438 0.598 0.698 0.971 0.735 CB 1.833 69 residues pruned to eliminate duplicates Z: 77 81.899 2.499 0.673 0.744 0.947 0.842 CB 1.906 77 residues pruned to eliminate duplicates Z: 146 110.912 2.452 0.751 0.743 0.972 0.766 CB 1.775 146 residues pruned to eliminate duplicates Z: 106 89.056 2.410 0.770 0.727 0.962 0.733 CB 1.726 106 residues pruned to eliminate duplicates Z: 96 83.992 2.485 0.598 0.703 0.968 0.747 CB 1.863 96 residues pruned to eliminate duplicates Z: 66 79.894 2.472 0.746 0.724 0.985 0.738 CB 1.905 66 residues pruned to eliminate duplicates Z: 88 81.607 2.379 0.821 0.716 0.954 0.782 CB 1.741 88 residues pruned to eliminate duplicates Z: 143 115.863 2.471 0.788 0.757 0.979 0.796 CB 1.788 143 residues pruned to eliminate duplicates Z: 97 82.666 2.457 0.688 0.696 0.927 0.740 CB 1.834 97 residues pruned to eliminate duplicates Z: 95 90.851 2.483 0.729 0.723 0.947 0.777 CB 1.885 95 residues pruned to eliminate duplicates Z: 120 93.541 2.388 0.805 0.697 0.958 0.689 CB 1.734 120 residues pruned to eliminate duplicates Z: 109 100.090 2.444 0.785 0.723 0.972 0.769 CB 1.857 109 residues pruned to eliminate duplicates Z: 106 92.014 2.436 0.775 0.735 0.971 0.752 CB 1.731 106 residues pruned to eliminate duplicates Z: 68 73.959 2.423 0.743 0.721 0.955 0.776 CB 1.835 68 residues pruned to eliminate duplicates Z: 105 86.545 2.431 0.673 0.745 0.952 0.750 CB 1.761 105 residues pruned to eliminate duplicates Z: 70 70.887 2.426 0.660 0.700 0.971 0.739 CB 1.819 70 residues pruned to eliminate duplicates Z: 69 75.317 2.439 0.786 0.701 0.985 0.735 CB 1.772 69 residues pruned to eliminate duplicates Z: 107 93.977 2.436 0.778 0.726 0.972 0.783 CB 1.769 107 residues pruned to eliminate duplicates Z: 93 89.069 2.464 0.765 0.704 0.957 0.696 CB 1.855 93 residues pruned to eliminate duplicates Z: 35 57.834 2.533 0.601 0.742 1.000 0.765 CB 1.970 35 residues pruned to eliminate duplicates Z: 42 46.802 2.448 0.572 0.660 0.927 0.683 CB 1.767 42 residues pruned to eliminate duplicates Z: 70 74.176 2.407 0.719 0.699 0.986 0.696 CB 1.827 70 residues pruned to eliminate duplicates Z: 39 49.327 2.416 0.630 0.676 0.921 0.711 CB 1.876 39 residues pruned to eliminate duplicates Z: 141 107.156 2.447 0.791 0.725 0.964 0.771 CB 1.750 141 residues pruned to eliminate duplicates Z: 97 86.568 2.462 0.706 0.702 0.938 0.729 CB 1.867 97 residues pruned to eliminate duplicates Z: 68 71.949 2.445 0.692 0.714 0.970 0.642 CB 1.804 68 residues pruned to eliminate duplicates Z: 97 95.989 2.478 0.765 0.723 0.969 0.729 CB 1.890 97 residues pruned to eliminate duplicates Z: 78 83.233 2.539 0.647 0.742 0.961 0.740 CB 1.900 78 residues pruned to eliminate duplicates Z: 66 80.942 2.522 0.735 0.729 0.985 0.769 CB 1.897 66 residues pruned to eliminate duplicates Z: 98 86.739 2.455 0.712 0.709 0.948 0.732 CB 1.827 98 residues pruned to eliminate duplicates Z: 72 90.028 2.544 0.768 0.771 0.972 0.803 CB 1.923 72 residues pruned to eliminate duplicates Z: 108 99.688 2.464 0.735 0.740 0.991 0.776 CB 1.837 108 residues pruned to eliminate duplicates Z: 73 90.826 2.537 0.753 0.773 0.972 0.833 CB 1.944 73 residues pruned to eliminate duplicates Z: 126 106.648 2.480 0.770 0.744 0.968 0.776 CB 1.805 126 residues pruned to eliminate duplicates Z: 185 114.165 2.367 0.803 0.710 0.967 0.723 CB 1.685 185 residues pruned to eliminate duplicates Z: 96 90.749 2.448 0.781 0.718 0.958 0.695 CB 1.830 96 residues pruned to eliminate duplicates Z: 144 113.718 2.465 0.779 0.750 0.972 0.776 CB 1.786 144 residues pruned to eliminate duplicates Z: 141 98.287 2.440 0.722 0.716 0.936 0.764 CB 1.737 141 residues pruned to eliminate duplicates Z: 78 81.054 2.481 0.679 0.715 0.987 0.740 CB 1.850 78 residues pruned to eliminate duplicates Z: 100 84.874 2.458 0.685 0.705 0.960 0.737 CB 1.782 100 residues pruned to eliminate duplicates Z: 83 97.762 2.545 0.829 0.736 0.976 0.756 CB 1.923 83 residues pruned to eliminate duplicates Z: 94 90.509 2.444 0.786 0.715 0.957 0.763 CB 1.849 94 residues pruned to eliminate duplicates Z: 39 70.266 2.503 0.867 0.786 1.000 0.789 CB 1.897 39 residues pruned to eliminate duplicates Z: 143 117.728 2.478 0.823 0.755 0.972 0.782 CB 1.792 143 residues pruned to eliminate duplicates Z: 96 92.243 2.461 0.754 0.720 0.947 0.789 CB 1.896 96 residues pruned to eliminate duplicates Z: 97 87.333 2.443 0.692 0.713 0.958 0.750 CB 1.855 82 residues pruned to eliminate duplicates Z: 18 75.963 2.570 1.393 0.948 1.000 0.882 CB 2.069 18 residues pruned to eliminate duplicates Z: 64 73.555 2.364 0.852 0.720 0.952 0.714 CB 1.821 64 residues pruned to eliminate duplicates Z: 81 87.103 2.495 0.822 0.713 0.950 0.738 CB 1.859 81 residues pruned to eliminate duplicates Z: 96 100.069 2.463 0.892 0.726 0.968 0.705 CB 1.855 96 residues pruned to eliminate duplicates Z: 128 112.388 2.470 0.877 0.732 0.969 0.780 CB 1.803 128 residues pruned to eliminate duplicates Z: 99 93.045 2.451 0.774 0.732 0.959 0.714 CB 1.829 99 residues pruned to eliminate duplicates Z: 140 111.566 2.438 0.887 0.723 0.957 0.770 CB 1.758 140 residues pruned to eliminate duplicates Z: 99 105.646 2.525 0.844 0.752 0.969 0.806 CB 1.889 99 residues pruned to eliminate duplicates Z: 41 66.636 2.452 0.952 0.761 0.950 0.775 CB 1.837 41 residues pruned to eliminate duplicates Z: 14 13.944 2.034 0.134 0.639 0.923 0.615 C 1.594 14 residues pruned to eliminate duplicates Z: 144 119.845 2.456 0.871 0.743 0.979 0.755 CB 1.793 144 residues pruned to eliminate duplicates Z: 159 110.092 2.413 0.749 0.718 0.968 0.722 CB 1.760 159 residues pruned to eliminate duplicates Z: 73 97.377 2.552 0.847 0.770 0.986 0.792 CB 1.945 73 residues pruned to eliminate duplicates Z: 78 93.559 2.541 0.802 0.746 0.987 0.753 CB 1.894 78 residues pruned to eliminate duplicates Z: 107 102.805 2.456 0.770 0.739 0.991 0.774 CB 1.872 107 residues pruned to eliminate duplicates Z: 145 114.238 2.442 0.861 0.743 0.951 0.785 CB 1.772 107 residues pruned to eliminate duplicates Z: 10 15.317 1.804 0.411 0.865 1.000 0.667 CB 1.470 10 residues pruned to eliminate duplicates Z: 19 44.259 2.421 0.695 0.920 1.000 0.889 CB 1.790 Z: 27 60.642 2.519 0.936 0.923 0.923 0.808 CB 1.857 18 residues pruned to eliminate duplicates Z: 28 54.469 2.455 0.785 0.905 0.963 0.889 CB 1.767 28 residues pruned to eliminate duplicates Z: 38 55.584 2.373 0.855 0.778 0.946 0.757 CB 1.718 28 residues pruned to eliminate duplicates Z: 27 63.036 2.545 0.889 0.932 0.962 0.885 CB 1.867 27 residues pruned to eliminate duplicates Z: 39 57.929 2.335 0.861 0.759 1.000 0.816 CB 1.718 38 residues pruned to eliminate duplicates Z: 24 58.353 2.466 1.083 0.888 0.957 0.739 CB 1.783 25 residues pruned to eliminate duplicates Z: 19 48.378 2.541 1.000 0.909 0.889 0.778 CB 1.791 19 residues pruned to eliminate duplicates Z: 146 116.496 2.395 0.896 0.729 0.979 0.745 CB 1.770 184 residues pruned to eliminate duplicates Z: 155 119.182 2.418 0.851 0.729 0.961 0.714 CB 1.817 147 residues pruned to eliminate duplicates Z: 27 66.476 2.526 1.129 0.903 0.962 0.692 CB 1.797 Z: 27 73.068 2.507 1.189 0.909 1.000 0.769 CB 1.853 27 residues pruned to eliminate duplicates Z: 27 68.590 2.547 1.114 0.940 0.923 0.885 CB 1.881 27 residues pruned to eliminate duplicates Z: 39 60.956 2.322 0.941 0.759 1.000 0.658 CB 1.743 29 residues pruned to eliminate duplicates Z: 27 68.318 2.497 1.170 0.899 0.962 0.808 CB 1.839 27 residues pruned to eliminate duplicates Z: 37 65.211 2.382 1.106 0.802 0.944 0.806 CB 1.762 39 residues pruned to eliminate duplicates Z: 27 73.907 2.522 1.292 0.917 0.962 0.808 CB 1.840 27 residues pruned to eliminate duplicates Z: 37 68.260 2.384 1.110 0.801 0.972 0.750 CB 1.788 35 residues pruned to eliminate duplicates Z: 27 72.582 2.527 1.248 0.921 0.962 0.692 CB 1.834 27 residues pruned to eliminate duplicates Z: 38 62.328 2.365 0.980 0.776 0.973 0.730 CB 1.763 38 residues pruned to eliminate duplicates Z: 27 71.352 2.533 1.190 0.923 0.962 0.731 CB 1.844 29 residues pruned to eliminate duplicates Z: 27 63.835 2.480 1.087 0.887 0.962 0.731 CB 1.813 27 residues pruned to eliminate duplicates Z: 26 73.032 2.549 1.158 0.939 0.960 0.880 CB 1.922 26 residues pruned to eliminate duplicates Z: 153 112.652 2.386 0.832 0.716 0.974 0.704 CB 1.765 188 residues pruned to eliminate duplicates Z: 18 41.438 2.501 0.674 0.812 1.000 0.824 CB 1.829 Z: 19 48.124 2.312 0.882 0.925 1.000 1.000 CA 1.829 18 residues pruned to eliminate duplicates Z: 17 38.593 2.393 0.717 0.905 0.938 0.938 CB 1.783 17 residues pruned to eliminate duplicates Z: 18 29.494 2.272 0.697 0.778 0.941 0.824 CB 1.542 18 residues pruned to eliminate duplicates Z: 20 36.556 2.413 0.609 0.741 0.947 0.684 CB 1.838 20 residues pruned to eliminate duplicates Z: 17 43.231 2.506 0.733 0.873 1.000 1.000 CB 1.812 17 residues pruned to eliminate duplicates Z: 141 107.056 2.454 0.734 0.726 0.957 0.729 CB 1.812 160 residues pruned to eliminate duplicates Z: 41 56.059 2.370 0.937 0.723 0.975 0.825 CB 1.620 41 residues pruned to eliminate duplicates Z: 77 68.282 2.339 0.737 0.690 0.974 0.711 CB 1.664 77 residues pruned to eliminate duplicates Z: 134 109.172 2.461 0.782 0.743 0.970 0.774 CB 1.791 134 residues pruned to eliminate duplicates Z: 17 42.306 2.495 0.688 0.875 1.000 0.938 CB 1.826 Z: 17 39.721 2.327 0.786 0.877 1.000 0.750 CB 1.736 16 residues pruned to eliminate duplicates Z: 16 33.241 2.435 0.473 0.916 1.000 0.933 CB 1.689 16 residues pruned to eliminate duplicates Z: 68 63.916 2.371 0.630 0.763 0.970 0.791 CB 1.650 86 residues pruned to eliminate duplicates Z: 145 107.193 2.459 0.710 0.737 0.965 0.771 CB 1.779 145 residues pruned to eliminate duplicates Z: 109 85.519 2.409 0.711 0.706 0.963 0.685 CB 1.719 109 residues pruned to eliminate duplicates Z: 55 67.607 2.407 0.851 0.779 0.981 0.778 CB 1.645 55 residues pruned to eliminate duplicates Z: 78 60.046 2.312 0.629 0.701 0.935 0.740 CB 1.618 78 residues pruned to eliminate duplicates Z: 104 84.326 2.423 0.713 0.704 0.951 0.709 CB 1.747 104 residues pruned to eliminate duplicates Z: 120 87.880 2.377 0.690 0.697 0.966 0.706 CB 1.734 120 residues pruned to eliminate duplicates Z: 142 109.915 2.477 0.720 0.737 0.972 0.766 CB 1.808 142 residues pruned to eliminate duplicates Z: 142 110.668 2.469 0.745 0.746 0.972 0.766 CB 1.787 142 residues pruned to eliminate duplicates Z: 68 66.061 2.394 0.692 0.754 0.955 0.746 CB 1.663 68 residues pruned to eliminate duplicates Z: 25 30.920 2.414 0.456 0.634 0.917 0.708 CB 1.727 233 residues left after pruning, divided into chains as follows: A: 104 B: 104 C: 25 CC for partial structure against native data = 26.19 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.585, Connect. = 0.794 for dens.mod. cycle 1 = 0.300, Contrast = 0.654, Connect. = 0.812 for dens.mod. cycle 2 = 0.300, Contrast = 0.753, Connect. = 0.840 for dens.mod. cycle 3 = 0.300, Contrast = 0.749, Connect. = 0.843 for dens.mod. cycle 4 = 0.300, Contrast = 0.752, Connect. = 0.846 for dens.mod. cycle 5 = 0.300, Contrast = 0.751, Connect. = 0.848 for dens.mod. cycle 6 = 0.300, Contrast = 0.752, Connect. = 0.850 for dens.mod. cycle 7 = 0.300, Contrast = 0.751, Connect. = 0.851 for dens.mod. cycle 8 = 0.300, Contrast = 0.752, Connect. = 0.852 for dens.mod. cycle 9 = 0.300, Contrast = 0.751, Connect. = 0.853 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2753 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 595 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 68.210 2.595 0.962 0.920 1.000 0.800 CB 2.111 B: 26 78.994 2.674 0.898 0.934 1.000 0.880 CB 2.170 21 residues pruned to eliminate duplicates C: 27 84.026 2.577 1.075 0.931 1.000 0.846 CB 2.153 26 residues pruned to eliminate duplicates D: 19 66.842 2.565 1.023 0.916 1.000 0.889 C 2.144 19 residues pruned to eliminate duplicates E: 19 63.811 2.522 1.022 0.911 1.000 0.833 CB 2.090 19 residues pruned to eliminate duplicates F: 27 56.891 2.518 0.660 0.943 0.962 0.885 CB 1.923 27 residues pruned to eliminate duplicates G: 17 44.678 2.419 0.732 0.918 1.000 0.938 CB 1.879 H: 25 79.641 2.715 0.868 0.945 1.000 0.958 CB 2.219 25 residues pruned to eliminate duplicates I: 18 48.762 2.510 0.614 0.874 1.000 0.824 CB 2.124 J: 17 43.037 2.512 0.547 0.877 1.000 0.750 CA 2.010 K: 19 38.833 2.441 0.629 0.924 0.944 0.889 CB 1.712 L: 17 41.410 2.531 0.486 0.917 1.000 1.000 CA 1.943 17 residues pruned to eliminate duplicates M: 17 48.545 2.515 0.766 0.910 1.000 0.875 CA 1.938 17 residues pruned to eliminate duplicates N: 18 39.779 2.461 0.739 0.860 0.941 0.765 CB 1.762 18 residues pruned to eliminate duplicates O: 26 84.337 2.666 1.046 0.947 1.000 0.880 CB 2.136 26 residues pruned to eliminate duplicates P: 18 54.910 2.507 0.885 0.897 0.941 0.882 CA 2.144 18 residues pruned to eliminate duplicates Q: 17 37.007 2.505 0.356 0.898 1.000 0.875 CA 1.948 17 residues pruned to eliminate duplicates R: 27 69.199 2.550 0.823 0.929 1.000 0.923 CB 2.043 27 residues pruned to eliminate duplicates S: 18 59.363 2.580 0.820 0.936 1.000 0.882 CB 2.134 18 residues pruned to eliminate duplicates T: 18 49.347 2.378 0.790 0.936 1.000 0.882 CA 1.958 18 residues pruned to eliminate duplicates U: 13 31.915 2.239 0.540 0.897 1.000 0.750 N 1.912 12 residues pruned to eliminate duplicates V: 17 43.288 2.557 0.527 0.885 1.000 1.000 CA 2.001 17 residues pruned to eliminate duplicates W: 15 39.091 2.513 0.445 0.911 1.000 0.857 CB 2.038 15 residues pruned to eliminate duplicates X: 17 65.094 2.537 1.071 0.931 1.000 0.938 CA 2.165 18 residues pruned to eliminate duplicates Y: 18 36.457 2.521 0.385 0.861 1.000 0.941 CB 1.860 18 residues pruned to eliminate duplicates Z: 17 38.510 2.511 0.425 0.898 1.000 1.000 CB 1.924 17 residues pruned to eliminate duplicates Z: 27 69.622 2.526 0.905 0.935 1.000 0.923 CB 1.977 27 residues pruned to eliminate duplicates Z: 17 46.844 2.618 0.843 0.901 0.938 0.875 CB 1.848 17 residues pruned to eliminate duplicates Z: 12 37.869 2.399 0.708 0.901 1.000 0.818 C 1.989 12 residues pruned to eliminate duplicates Z: 25 68.483 2.697 0.682 0.927 1.000 0.958 CB 2.160 25 residues pruned to eliminate duplicates Z: 15 57.073 2.586 0.880 0.948 1.000 1.000 C 2.167 16 residues pruned to eliminate duplicates Z: 8 22.470 2.118 0.616 0.883 1.000 1.000 N 1.794 7 residues pruned to eliminate duplicates Z: 18 46.379 2.531 0.750 0.891 1.000 0.882 CB 1.826 19 residues pruned to eliminate duplicates Z: 11 31.412 2.374 0.580 0.917 1.000 0.800 CB 1.870 11 residues pruned to eliminate duplicates Z: 19 45.825 2.387 0.832 0.821 0.944 0.778 CA 1.980 19 residues pruned to eliminate duplicates Z: 26 92.459 2.649 1.234 0.951 1.000 0.920 CB 2.154 27 residues pruned to eliminate duplicates Z: 26 88.804 2.638 1.343 0.895 0.960 0.960 CB 2.146 27 residues pruned to eliminate duplicates Z: 11 23.096 2.442 0.106 0.930 1.000 1.000 CB 1.891 11 residues pruned to eliminate duplicates Z: 18 49.324 2.502 0.785 0.869 0.941 0.882 CA 2.079 18 residues pruned to eliminate duplicates Z: 17 42.008 2.570 1.004 0.840 0.812 0.750 CB 1.872 18 residues pruned to eliminate duplicates Z: 19 53.178 2.274 1.002 0.934 1.000 0.889 C 1.920 17 residues pruned to eliminate duplicates Z: 18 54.838 2.503 0.911 0.911 0.941 0.824 CA 2.093 18 residues pruned to eliminate duplicates Z: 17 46.214 2.377 0.731 0.940 1.000 1.000 CA 1.950 17 residues pruned to eliminate duplicates Z: 18 37.387 2.517 0.526 0.869 0.941 0.824 CB 1.833 18 residues pruned to eliminate duplicates Z: 25 67.922 2.703 0.691 0.924 1.000 0.917 CB 2.129 25 residues pruned to eliminate duplicates Z: 18 38.826 2.529 0.508 0.899 1.000 0.941 CB 1.765 18 residues pruned to eliminate duplicates Z: 16 44.392 2.486 0.684 0.888 1.000 1.000 CB 1.973 Z: 25 94.501 2.703 1.253 0.927 1.000 0.542 CB 2.219 25 residues pruned to eliminate duplicates Z: 27 79.025 2.546 1.130 0.936 1.000 0.923 CB 1.990 26 residues pruned to eliminate duplicates Z: 18 47.039 2.547 0.880 0.896 0.882 0.765 CB 1.935 17 residues pruned to eliminate duplicates Z: 25 91.048 2.689 1.224 0.934 1.000 0.792 CB 2.167 25 residues pruned to eliminate duplicates Z: 16 36.951 2.359 0.513 0.898 1.000 0.933 CB 1.913 16 residues pruned to eliminate duplicates Z: 16 36.395 2.499 0.527 0.921 1.000 0.867 CB 1.734 Z: 26 79.405 2.691 0.867 0.943 1.000 0.960 CB 2.190 26 residues pruned to eliminate duplicates Z: 18 52.354 2.514 0.808 0.893 0.941 0.882 CA 2.130 18 residues pruned to eliminate duplicates Z: 18 45.335 2.457 0.794 0.916 1.000 0.706 CB 1.762 16 residues pruned to eliminate duplicates Z: 16 42.023 2.471 0.620 0.903 1.000 1.000 CB 1.932 16 residues pruned to eliminate duplicates Z: 18 48.288 2.429 0.755 0.899 0.941 0.941 CB 2.087 18 residues pruned to eliminate duplicates Z: 19 47.990 2.279 0.920 0.920 0.944 0.833 C 1.928 19 residues pruned to eliminate duplicates Z: 19 50.887 2.350 0.831 0.920 1.000 0.944 CA 1.963 19 residues pruned to eliminate duplicates Z: 26 69.450 2.661 0.692 0.942 1.000 0.960 CB 2.139 26 residues pruned to eliminate duplicates Z: 18 44.870 2.422 0.639 0.906 1.000 0.882 CA 1.950 18 residues pruned to eliminate duplicates Z: 12 37.449 2.301 0.855 0.917 1.000 1.000 N 1.868 12 residues pruned to eliminate duplicates Z: 18 46.188 2.440 0.622 0.918 1.000 0.882 C 1.996 Z: 17 43.384 2.560 0.628 0.928 1.000 0.938 CB 1.822 17 residues pruned to eliminate duplicates Z: 17 48.846 2.482 0.871 0.928 0.938 0.938 CA 1.965 18 residues pruned to eliminate duplicates Z: 11 24.000 2.316 0.377 0.912 0.900 0.700 CB 1.873 Z: 17 45.241 2.547 0.557 0.910 1.000 1.000 CA 2.022 17 residues pruned to eliminate duplicates Z: 143 119.353 2.485 0.826 0.748 0.972 0.754 CB 1.819 88 residues pruned to eliminate duplicates Z: 15 35.343 2.570 0.411 0.866 0.929 0.857 CA 2.053 15 residues pruned to eliminate duplicates Z: 17 39.417 2.520 0.421 0.907 1.000 1.000 CA 1.955 17 residues pruned to eliminate duplicates Z: 25 85.445 2.722 1.022 0.939 1.000 0.958 CB 2.202 25 residues pruned to eliminate duplicates Z: 17 47.848 2.583 0.664 0.920 1.000 0.875 CA 1.961 17 residues pruned to eliminate duplicates Z: 19 61.859 2.355 1.172 0.935 1.000 0.944 C 1.987 19 residues pruned to eliminate duplicates Z: 26 90.344 2.634 1.231 0.955 1.000 0.880 CB 2.113 26 residues pruned to eliminate duplicates Z: 7 10.977 1.922 0.097 0.839 1.000 0.833 C 1.587 Z: 12 21.255 2.184 0.372 0.842 0.909 0.909 C 1.753 12 residues pruned to eliminate duplicates Z: 18 39.045 2.511 0.706 0.875 0.941 0.765 CB 1.709 18 residues pruned to eliminate duplicates Z: 16 44.009 2.510 0.810 0.913 1.000 0.800 CB 1.769 16 residues pruned to eliminate duplicates Z: 17 41.916 2.507 0.551 0.890 1.000 0.938 CA 1.939 17 residues pruned to eliminate duplicates Z: 19 50.797 2.501 0.655 0.949 1.000 1.000 CB 1.996 19 residues pruned to eliminate duplicates Z: 19 38.433 2.433 0.546 0.919 1.000 0.944 CB 1.698 19 residues pruned to eliminate duplicates Z: 18 44.290 2.399 0.702 0.931 1.000 0.882 CB 1.838 18 residues pruned to eliminate duplicates Z: 14 18.394 2.114 0.227 0.801 0.923 0.692 CB 1.637 14 residues pruned to eliminate duplicates Z: 12 28.497 2.486 0.442 0.867 0.909 0.727 CB 1.928 12 residues pruned to eliminate duplicates Z: 19 39.400 2.371 0.769 0.922 0.944 0.833 CB 1.648 19 residues pruned to eliminate duplicates Z: 18 43.931 2.351 0.694 0.910 1.000 0.824 CA 1.898 18 residues pruned to eliminate duplicates Z: 18 45.242 2.547 0.676 0.901 1.000 0.824 CB 1.835 18 residues pruned to eliminate duplicates Z: 16 44.844 2.479 0.668 0.924 1.000 1.000 CB 1.966 16 residues pruned to eliminate duplicates Z: 17 22.480 2.046 0.807 0.916 0.938 0.938 CB 1.146 17 residues pruned to eliminate duplicates Z: 18 43.910 2.406 0.789 0.872 0.941 0.941 CB 1.917 18 residues pruned to eliminate duplicates Z: 19 43.557 2.362 0.648 0.910 1.000 0.833 CB 1.870 19 residues pruned to eliminate duplicates Z: 10 19.287 2.377 0.372 0.803 0.889 0.556 C 1.703 7 residues pruned to eliminate duplicates Z: 16 43.313 2.633 0.386 0.914 1.000 0.933 CB 2.167 16 residues pruned to eliminate duplicates Z: 18 44.491 2.418 0.761 0.913 0.941 0.882 C 1.906 18 residues pruned to eliminate duplicates Z: 19 42.632 2.335 0.912 0.822 0.889 0.722 CA 1.916 19 residues pruned to eliminate duplicates Z: 19 47.377 2.406 0.931 0.899 1.000 0.833 CB 1.718 19 residues pruned to eliminate duplicates Z: 16 51.056 2.482 0.877 0.907 1.000 0.933 CB 2.011 16 residues pruned to eliminate duplicates Z: 16 40.682 2.441 0.584 0.920 1.000 1.000 CB 1.913 16 residues pruned to eliminate duplicates Z: 17 43.071 2.474 0.521 0.946 1.000 0.938 CA 1.980 17 residues pruned to eliminate duplicates Z: 22 44.118 2.459 0.487 0.834 1.000 0.762 CA 1.974 22 residues pruned to eliminate duplicates Z: 19 39.181 2.316 0.542 0.871 1.000 0.833 CA 1.887 19 residues pruned to eliminate duplicates Z: 17 26.929 2.088 0.856 0.945 1.000 0.938 CB 1.203 17 residues pruned to eliminate duplicates Z: 16 44.124 2.455 0.702 0.928 1.000 0.867 CB 1.909 16 residues pruned to eliminate duplicates Z: 19 34.377 2.460 0.445 0.800 0.944 0.778 CA 1.857 19 residues pruned to eliminate duplicates Z: 12 26.244 2.203 0.443 0.906 1.000 1.000 C 1.770 12 residues pruned to eliminate duplicates Z: 13 19.279 2.087 0.477 0.781 0.917 0.750 CB 1.538 13 residues pruned to eliminate duplicates Z: 18 38.456 2.397 0.600 0.919 1.000 0.824 CA 1.714 18 residues pruned to eliminate duplicates Z: 17 48.288 2.535 0.870 0.936 1.000 0.938 CB 1.774 17 residues pruned to eliminate duplicates Z: 18 43.792 2.439 0.789 0.918 1.000 0.765 CB 1.717 18 residues pruned to eliminate duplicates Z: 18 50.863 2.416 0.798 0.903 1.000 0.765 CA 2.025 18 residues pruned to eliminate duplicates Z: 18 48.123 2.499 0.802 0.884 0.882 0.824 CA 2.122 18 residues pruned to eliminate duplicates Z: 144 112.746 2.468 0.789 0.751 0.944 0.727 CB 1.809 144 residues pruned to eliminate duplicates Z: 6 16.941 2.134 0.479 0.849 1.000 0.800 C 1.780 7 residues pruned to eliminate duplicates Z: 6 10.441 2.164 0.551 0.717 0.800 0.200 CB 1.429 Z: 18 57.507 2.416 1.016 0.913 1.000 0.882 CA 2.026 18 residues pruned to eliminate duplicates Z: 16 45.203 2.478 0.668 0.926 1.000 1.000 CB 1.980 16 residues pruned to eliminate duplicates Z: 19 45.279 2.367 0.848 0.937 1.000 0.889 CB 1.697 19 residues pruned to eliminate duplicates Z: 12 23.316 2.093 0.399 0.868 1.000 0.727 C 1.756 12 residues pruned to eliminate duplicates Z: 18 48.795 2.536 0.998 0.926 0.941 0.765 CB 1.740 18 residues pruned to eliminate duplicates Z: 18 51.303 2.411 0.782 0.917 1.000 0.882 CA 2.045 18 residues pruned to eliminate duplicates Z: 18 40.024 2.460 0.508 0.884 1.000 0.882 CB 1.890 18 residues pruned to eliminate duplicates Z: 12 21.438 2.202 0.324 0.862 1.000 0.818 CB 1.627 12 residues pruned to eliminate duplicates Z: 16 44.434 2.486 0.661 0.908 1.000 0.933 CB 1.973 16 residues pruned to eliminate duplicates Z: 27 83.067 2.590 1.225 0.900 0.962 0.885 CB 2.100 27 residues pruned to eliminate duplicates Z: 27 83.990 2.509 1.260 0.927 1.000 0.654 CB 2.036 27 residues pruned to eliminate duplicates Z: 18 41.867 2.408 0.966 0.865 0.882 0.706 CB 1.780 18 residues pruned to eliminate duplicates Z: 13 23.082 2.245 0.627 0.808 0.917 0.750 CB 1.521 13 residues pruned to eliminate duplicates Z: 12 30.874 2.408 0.382 0.903 1.000 0.818 CB 1.994 12 residues pruned to eliminate duplicates Z: 7 25.110 2.370 0.552 0.888 1.000 0.833 C 2.009 7 residues pruned to eliminate duplicates Z: 12 30.549 2.462 0.436 0.871 1.000 0.909 CB 1.901 12 residues pruned to eliminate duplicates Z: 16 46.089 2.487 0.791 0.914 1.000 0.933 CB 1.889 16 residues pruned to eliminate duplicates Z: 9 13.507 1.930 0.135 0.845 1.000 0.750 CA 1.620 Z: 27 81.881 2.563 1.226 0.914 0.962 0.731 CB 2.070 27 residues pruned to eliminate duplicates Z: 16 50.685 2.497 0.815 0.914 1.000 0.867 CB 2.042 16 residues pruned to eliminate duplicates Z: 16 26.281 2.115 0.697 0.918 1.000 1.000 CB 1.333 16 residues pruned to eliminate duplicates Z: 18 35.924 2.356 0.592 0.896 1.000 0.882 CB 1.665 18 residues pruned to eliminate duplicates Z: 7 6.406 2.052 0.160 0.624 0.667 0.500 C 1.466 6 residues pruned to eliminate duplicates Z: 16 48.834 2.600 0.621 0.889 1.000 0.733 CB 2.154 17 residues pruned to eliminate duplicates Z: 18 47.914 2.408 0.767 0.931 1.000 0.882 CB 1.909 18 residues pruned to eliminate duplicates Z: 20 47.733 2.291 0.830 0.898 1.000 0.842 CB 1.868 20 residues pruned to eliminate duplicates Z: 12 29.456 2.455 0.390 0.873 1.000 0.818 CB 1.897 12 residues pruned to eliminate duplicates Z: 18 66.297 2.467 1.161 0.925 1.000 0.882 C 2.117 17 residues pruned to eliminate duplicates Z: 17 46.137 2.560 0.570 0.899 1.000 0.875 CA 2.051 18 residues pruned to eliminate duplicates Z: 27 47.434 2.190 1.142 0.941 0.962 0.731 CB 1.432 Z: 10 25.836 2.451 0.272 0.906 1.000 0.889 C 1.964 10 residues pruned to eliminate duplicates Z: 25 94.825 2.701 1.255 0.920 1.000 0.792 CB 2.238 25 residues pruned to eliminate duplicates Z: 11 22.355 2.217 0.508 0.850 0.900 0.700 C 1.740 11 residues pruned to eliminate duplicates Z: 27 39.370 2.197 0.851 0.904 0.962 0.808 CB 1.406 27 residues pruned to eliminate duplicates Z: 18 40.030 2.388 0.755 0.933 0.882 0.765 CB 1.832 18 residues pruned to eliminate duplicates Z: 19 35.610 2.329 0.441 0.912 1.000 0.889 CA 1.772 19 residues pruned to eliminate duplicates Z: 11 23.849 2.266 0.413 0.890 1.000 0.800 C 1.694 11 residues pruned to eliminate duplicates Z: 11 31.791 2.569 0.381 0.903 1.000 0.900 CB 2.020 11 residues pruned to eliminate duplicates Z: 12 28.731 2.166 0.721 0.937 1.000 0.818 C 1.618 12 residues pruned to eliminate duplicates Z: 11 21.352 2.230 0.362 0.815 0.900 0.700 C 1.879 11 residues pruned to eliminate duplicates Z: 16 46.859 2.551 0.872 0.925 1.000 0.933 CB 1.779 16 residues pruned to eliminate duplicates Z: 16 51.154 2.413 1.182 0.946 1.000 1.000 CB 1.734 16 residues pruned to eliminate duplicates Z: 12 23.526 2.414 0.364 0.856 0.909 0.818 CB 1.747 12 residues pruned to eliminate duplicates Z: 11 33.062 2.154 1.007 0.916 1.000 0.600 C 1.708 11 residues pruned to eliminate duplicates Z: 13 20.130 2.295 0.167 0.819 0.917 0.667 CB 1.794 13 residues pruned to eliminate duplicates Z: 18 21.846 2.051 0.537 0.874 1.000 0.824 CB 1.224 18 residues pruned to eliminate duplicates Z: 12 29.722 2.472 0.402 0.866 1.000 0.909 CB 1.893 12 residues pruned to eliminate duplicates Z: 6 9.256 1.786 0.432 0.762 1.000 0.600 CA 1.283 Z: 12 17.921 2.084 0.542 0.714 0.909 0.455 C 1.523 11 residues pruned to eliminate duplicates Z: 12 26.478 2.108 0.810 0.873 0.909 0.455 C 1.677 12 residues pruned to eliminate duplicates Z: 11 26.747 2.184 0.662 0.934 1.000 0.700 C 1.625 11 residues pruned to eliminate duplicates Z: 19 37.878 2.326 0.445 0.925 1.000 0.889 CA 1.864 19 residues pruned to eliminate duplicates Z: 16 42.193 2.393 0.638 0.905 1.000 0.867 C 1.977 16 residues pruned to eliminate duplicates Z: 26 46.089 2.282 0.725 0.940 1.000 0.960 CB 1.626 26 residues pruned to eliminate duplicates Z: 17 48.516 2.553 0.844 0.926 1.000 0.812 CB 1.806 17 residues pruned to eliminate duplicates Z: 8 6.937 1.441 0.344 0.711 1.000 0.571 C 1.118 8 residues pruned to eliminate duplicates Z: 11 26.094 2.543 0.149 0.877 1.000 0.900 CB 2.051 11 residues pruned to eliminate duplicates Z: 17 53.793 2.490 0.955 0.942 1.000 0.938 CA 1.915 17 residues pruned to eliminate duplicates Z: 27 50.914 2.212 1.172 0.907 0.962 0.808 CB 1.537 27 residues pruned to eliminate duplicates Z: 12 19.277 1.907 0.589 0.896 0.909 0.727 C 1.511 12 residues pruned to eliminate duplicates Z: 18 50.613 2.439 0.966 0.890 1.000 0.882 CB 1.842 18 residues pruned to eliminate duplicates Z: 11 19.726 2.136 0.205 0.927 1.000 1.000 CB 1.697 11 residues pruned to eliminate duplicates Z: 26 50.397 2.267 1.063 0.948 1.000 0.920 CB 1.488 26 residues pruned to eliminate duplicates Z: 18 51.013 2.405 1.016 0.940 1.000 0.882 CB 1.772 18 residues pruned to eliminate duplicates Z: 12 25.068 2.252 0.652 0.894 1.000 1.000 CB 1.457 12 residues pruned to eliminate duplicates Z: 17 31.327 2.158 1.006 0.885 0.938 0.688 CB 1.393 17 residues pruned to eliminate duplicates Z: 18 49.062 2.384 1.001 0.930 1.000 0.882 CB 1.745 17 residues pruned to eliminate duplicates Z: 12 18.408 2.104 0.439 0.752 0.909 0.727 CB 1.611 12 residues pruned to eliminate duplicates Z: 26 97.345 2.654 1.357 0.945 1.000 0.760 CB 2.154 26 residues pruned to eliminate duplicates Z: 17 35.753 2.538 0.433 0.879 1.000 1.000 CB 1.782 17 residues pruned to eliminate duplicates Z: 17 47.962 2.515 0.680 0.901 1.000 0.938 CA 2.026 17 residues pruned to eliminate duplicates Z: 104 99.621 2.513 0.686 0.717 0.971 0.718 CB 1.961 99 residues pruned to eliminate duplicates Z: 16 43.875 2.414 0.743 0.908 1.000 0.933 CB 1.912 16 residues pruned to eliminate duplicates Z: 12 16.190 2.015 0.238 0.836 0.909 0.818 CA 1.611 12 residues pruned to eliminate duplicates Z: 19 30.809 2.178 0.775 0.894 0.944 0.778 CB 1.427 19 residues pruned to eliminate duplicates Z: 26 39.815 2.227 0.790 0.902 0.960 0.880 CB 1.484 26 residues pruned to eliminate duplicates Z: 18 53.095 2.604 0.723 0.904 0.941 0.882 CB 2.171 18 residues pruned to eliminate duplicates Z: 6 9.981 2.109 -0.031 0.873 1.000 0.800 CB 1.590 6 residues pruned to eliminate duplicates Z: 13 25.821 2.294 0.488 0.849 0.917 0.667 CB 1.765 13 residues pruned to eliminate duplicates Z: 10 23.521 2.389 0.165 0.896 1.000 0.889 CB 2.017 10 residues pruned to eliminate duplicates Z: 13 23.134 2.226 0.386 0.888 1.000 0.750 CB 1.559 13 residues pruned to eliminate duplicates Z: 17 29.466 2.233 0.721 0.915 0.938 0.875 CB 1.445 17 residues pruned to eliminate duplicates Z: 17 43.868 2.514 0.527 0.906 1.000 0.812 CA 2.032 17 residues pruned to eliminate duplicates Z: 27 45.472 2.130 1.071 0.929 1.000 0.654 CB 1.415 27 residues pruned to eliminate duplicates Z: 15 23.799 2.465 0.561 0.490 0.857 0.357 CB 1.948 16 residues pruned to eliminate duplicates Z: 18 46.288 2.415 0.744 0.928 1.000 0.824 CA 1.868 18 residues pruned to eliminate duplicates Z: 27 34.175 2.171 0.586 0.893 0.962 0.923 CB 1.454 27 residues pruned to eliminate duplicates Z: 17 45.138 2.479 0.578 0.927 1.000 1.000 CB 2.022 17 residues pruned to eliminate duplicates Z: 12 31.042 2.474 0.441 0.847 1.000 0.636 CB 1.949 12 residues pruned to eliminate duplicates Z: 18 46.175 2.299 0.966 0.884 1.000 0.706 CB 1.790 18 residues pruned to eliminate duplicates Z: 15 20.509 2.357 0.493 0.520 0.857 0.357 CB 1.781 15 residues pruned to eliminate duplicates Z: 67 66.344 2.435 0.576 0.722 0.924 0.727 CB 1.885 67 residues pruned to eliminate duplicates Z: 11 18.259 2.185 0.183 0.808 1.000 0.900 C 1.709 11 residues pruned to eliminate duplicates Z: 17 41.923 2.478 0.888 0.894 0.938 0.812 CB 1.714 17 residues pruned to eliminate duplicates Z: 14 15.897 1.930 0.180 0.933 1.000 0.923 CB 1.351 Z: 18 34.705 2.357 0.424 0.895 1.000 0.882 CB 1.797 18 residues pruned to eliminate duplicates Z: 26 52.523 2.242 1.238 0.945 0.960 0.920 CB 1.510 27 residues pruned to eliminate duplicates Z: 17 39.527 2.579 0.475 0.920 1.000 1.000 CB 1.830 17 residues pruned to eliminate duplicates Z: 11 24.173 2.266 0.258 0.929 1.000 1.000 C 1.876 11 residues pruned to eliminate duplicates Z: 18 20.746 2.037 0.774 0.893 0.941 0.882 CB 1.062 18 residues pruned to eliminate duplicates Z: 16 23.509 2.106 0.716 0.943 1.000 1.000 CB 1.165 16 residues pruned to eliminate duplicates Z: 10 14.930 1.960 0.319 0.757 1.000 0.556 CA 1.531 Z: 12 18.414 2.133 0.589 0.673 0.818 0.455 C 1.706 12 residues pruned to eliminate duplicates Z: 16 52.048 2.508 0.846 0.936 1.000 1.000 CB 2.020 16 residues pruned to eliminate duplicates Z: 7 8.884 2.366 -0.156 0.797 0.833 0.833 CB 1.681 7 residues pruned to eliminate duplicates Z: 8 12.279 1.981 0.102 0.872 1.000 1.000 CA 1.549 8 residues pruned to eliminate duplicates Z: 8 10.550 1.965 0.195 0.878 1.000 0.857 CB 1.232 8 residues pruned to eliminate duplicates Z: 17 39.944 2.393 0.519 0.917 1.000 1.000 CB 1.938 17 residues pruned to eliminate duplicates Z: 18 41.875 2.372 0.840 0.926 1.000 0.882 CB 1.632 18 residues pruned to eliminate duplicates Z: 12 27.155 2.102 0.684 0.830 1.000 0.545 C 1.739 12 residues pruned to eliminate duplicates Z: 10 16.726 2.259 0.284 0.799 0.889 0.556 C 1.665 10 residues pruned to eliminate duplicates Z: 18 41.417 2.329 0.650 0.866 1.000 0.882 CA 1.915 18 residues pruned to eliminate duplicates Z: 27 46.667 2.187 1.195 0.921 0.923 0.769 CB 1.453 27 residues pruned to eliminate duplicates Z: 27 42.193 2.216 0.843 0.926 0.962 0.885 CB 1.478 27 residues pruned to eliminate duplicates Z: 12 33.805 2.420 0.572 0.864 1.000 0.727 C 1.964 12 residues pruned to eliminate duplicates Z: 27 43.700 2.210 0.848 0.937 1.000 0.846 CB 1.460 27 residues pruned to eliminate duplicates Z: 18 61.931 2.641 0.827 0.934 1.000 1.000 CB 2.170 18 residues pruned to eliminate duplicates Z: 106 88.834 2.446 0.718 0.732 0.952 0.743 CB 1.759 106 residues pruned to eliminate duplicates Z: 10 14.950 1.933 0.282 0.766 1.000 0.556 C 1.587 10 residues pruned to eliminate duplicates Z: 8 13.842 2.083 0.466 0.750 0.857 0.714 CA 1.600 8 residues pruned to eliminate duplicates Z: 16 40.452 2.469 0.495 0.905 1.000 0.933 CA 2.015 16 residues pruned to eliminate duplicates Z: 17 47.398 2.483 0.854 0.908 0.938 0.688 CB 1.950 17 residues pruned to eliminate duplicates Z: 16 27.381 2.388 0.199 0.901 1.000 0.933 CB 1.763 16 residues pruned to eliminate duplicates Z: 13 19.472 1.986 0.440 0.935 1.000 0.833 CB 1.370 14 residues pruned to eliminate duplicates Z: 14 22.216 1.987 0.596 0.945 1.000 0.923 CB 1.344 13 residues pruned to eliminate duplicates Z: 7 6.591 1.975 0.077 0.723 0.667 0.500 C 1.552 7 residues pruned to eliminate duplicates Z: 27 47.161 2.210 1.027 0.927 1.000 0.731 CB 1.446 27 residues pruned to eliminate duplicates Z: 30 49.687 2.418 0.825 0.708 0.897 0.552 CB 1.931 30 residues pruned to eliminate duplicates Z: 47 70.306 2.520 0.829 0.694 0.935 0.761 CB 2.015 47 residues pruned to eliminate duplicates Z: 14 23.464 1.967 0.702 0.923 1.000 0.923 CB 1.367 14 residues pruned to eliminate duplicates Z: 26 54.019 2.274 1.203 0.931 1.000 0.880 CB 1.507 26 residues pruned to eliminate duplicates Z: 11 20.614 2.164 0.450 0.822 1.000 0.700 C 1.572 11 residues pruned to eliminate duplicates Z: 17 36.265 2.293 0.785 0.883 0.938 0.875 CB 1.707 17 residues pruned to eliminate duplicates Z: 83 85.274 2.487 0.676 0.701 0.976 0.720 CB 1.928 81 residues pruned to eliminate duplicates Z: 140 116.315 2.482 0.837 0.743 0.950 0.755 CB 1.832 140 residues pruned to eliminate duplicates Z: 27 41.866 2.196 0.795 0.923 1.000 0.769 CB 1.465 27 residues pruned to eliminate duplicates Z: 14 21.714 1.975 0.578 0.937 1.000 1.000 CB 1.344 13 residues pruned to eliminate duplicates Z: 25 52.914 2.297 1.216 0.942 0.958 0.833 CB 1.535 26 residues pruned to eliminate duplicates Z: 19 34.589 2.161 0.944 0.923 1.000 0.722 CB 1.364 19 residues pruned to eliminate duplicates Z: 11 12.582 1.980 0.211 0.918 0.900 0.900 CB 1.300 11 residues pruned to eliminate duplicates Z: 25 97.470 2.658 1.379 0.943 1.000 0.833 C 2.181 26 residues pruned to eliminate duplicates Z: 17 32.362 2.427 0.175 0.919 1.000 1.000 CA 2.000 17 residues pruned to eliminate duplicates Z: 15 20.705 1.831 0.560 0.899 1.000 0.857 CB 1.385 15 residues pruned to eliminate duplicates Z: 18 51.885 2.411 0.817 0.900 1.000 0.765 CA 2.052 18 residues pruned to eliminate duplicates Z: 19 40.680 2.292 0.778 0.884 0.944 0.833 CB 1.800 19 residues pruned to eliminate duplicates Z: 138 116.095 2.495 0.794 0.752 0.971 0.774 CB 1.823 138 residues pruned to eliminate duplicates Z: 14 20.617 1.959 0.509 0.917 1.000 0.846 CB 1.365 14 residues pruned to eliminate duplicates Z: 15 45.321 2.427 1.017 0.930 1.000 0.714 CB 1.731 15 residues pruned to eliminate duplicates Z: 27 49.206 2.502 0.819 0.652 0.923 0.769 CB 1.994 27 residues pruned to eliminate duplicates Z: 12 9.727 1.784 0.027 0.929 1.000 1.000 CB 1.120 Z: 27 49.602 2.211 1.100 0.913 0.962 0.615 CB 1.542 27 residues pruned to eliminate duplicates Z: 17 32.376 2.175 0.804 0.925 1.000 0.875 CB 1.448 17 residues pruned to eliminate duplicates Z: 18 28.781 2.084 1.131 0.919 1.000 0.824 CB 1.108 18 residues pruned to eliminate duplicates Z: 18 40.349 2.252 0.673 0.935 1.000 1.000 CB 1.810 18 residues pruned to eliminate duplicates Z: 12 24.635 2.369 0.528 0.838 0.909 0.727 CB 1.688 12 residues pruned to eliminate duplicates Z: 72 93.759 2.548 0.783 0.770 0.972 0.746 CB 1.985 72 residues pruned to eliminate duplicates Z: 6 8.857 2.070 0.576 0.704 0.600 0.400 CB 1.681 6 residues pruned to eliminate duplicates Z: 9 8.860 1.775 0.229 0.823 0.875 0.750 CB 1.240 9 residues pruned to eliminate duplicates Z: 11 26.177 2.329 0.519 0.868 0.900 0.600 C 1.901 11 residues pruned to eliminate duplicates Z: 13 10.544 1.749 -0.017 0.919 1.000 0.917 CB 1.248 14 residues pruned to eliminate duplicates Z: 17 46.268 2.557 0.639 0.918 0.938 0.938 CB 2.076 17 residues pruned to eliminate duplicates Z: 27 46.824 2.197 1.178 0.907 0.962 0.808 CB 1.418 27 residues pruned to eliminate duplicates Z: 16 41.957 2.492 0.591 0.916 1.000 1.000 CB 1.929 16 residues pruned to eliminate duplicates Z: 9 5.969 1.960 0.154 0.353 0.750 0.375 CA 1.457 9 residues pruned to eliminate duplicates Z: 18 40.183 2.388 0.615 0.908 0.941 0.882 CA 1.907 18 residues pruned to eliminate duplicates Z: 12 12.957 1.780 0.330 0.939 1.000 0.909 CB 1.147 12 residues pruned to eliminate duplicates Z: 9 15.095 2.242 0.541 0.838 0.750 0.625 C 1.539 9 residues pruned to eliminate duplicates Z: 25 40.207 2.234 0.714 0.905 1.000 0.792 CB 1.526 25 residues pruned to eliminate duplicates Z: 7 14.734 1.922 0.858 0.673 1.000 0.500 N 1.436 7 residues pruned to eliminate duplicates Z: 27 44.422 2.168 0.970 0.915 1.000 0.808 CB 1.442 27 residues pruned to eliminate duplicates Z: 10 15.038 2.101 0.170 0.789 1.000 0.667 C 1.583 10 residues pruned to eliminate duplicates Z: 8 9.042 1.894 0.027 0.794 1.000 0.571 CA 1.357 8 residues pruned to eliminate duplicates Z: 12 29.273 2.395 0.431 0.872 1.000 0.818 CB 1.877 12 residues pruned to eliminate duplicates Z: 18 39.612 2.387 0.600 0.906 1.000 0.882 CB 1.790 18 residues pruned to eliminate duplicates Z: 24 51.683 2.277 1.220 0.946 1.000 0.739 CB 1.474 24 residues pruned to eliminate duplicates Z: 11 24.839 2.263 0.571 0.908 0.900 0.500 CB 1.743 11 residues pruned to eliminate duplicates Z: 12 17.681 2.164 -0.008 0.931 1.000 1.000 C 1.736 12 residues pruned to eliminate duplicates Z: 6 6.336 2.276 0.547 0.394 0.800 0.600 CB 1.125 Z: 10 21.675 2.295 0.153 0.923 1.000 1.000 CA 1.919 10 residues pruned to eliminate duplicates Z: 13 31.993 2.455 0.660 0.867 0.917 0.917 CB 1.807 13 residues pruned to eliminate duplicates Z: 12 12.934 1.778 0.308 0.926 1.000 1.000 CB 1.176 12 residues pruned to eliminate duplicates Z: 12 24.285 2.374 0.488 0.825 0.909 0.636 CB 1.720 12 residues pruned to eliminate duplicates Z: 26 93.218 2.678 1.214 0.929 1.000 0.920 CB 2.201 26 residues pruned to eliminate duplicates Z: 27 44.589 2.160 0.991 0.889 0.962 0.846 CB 1.523 27 residues pruned to eliminate duplicates Z: 17 46.929 2.552 0.630 0.876 1.000 0.750 CA 2.049 17 residues pruned to eliminate duplicates Z: 6 4.902 1.716 0.332 0.771 0.600 0.600 CA 1.257 6 residues pruned to eliminate duplicates Z: 19 26.733 1.996 0.995 0.876 0.944 0.833 CB 1.218 19 residues pruned to eliminate duplicates Z: 16 51.583 2.416 1.008 0.913 1.000 0.800 CA 1.942 16 residues pruned to eliminate duplicates Z: 18 58.105 2.423 0.989 0.914 1.000 0.765 C 2.069 18 residues pruned to eliminate duplicates Z: 26 44.576 2.218 0.918 0.926 0.960 0.880 CB 1.531 26 residues pruned to eliminate duplicates Z: 7 8.336 1.593 0.332 0.751 1.000 0.333 N 1.281 7 residues pruned to eliminate duplicates Z: 12 12.096 1.799 0.243 0.935 1.000 0.909 CB 1.136 12 residues pruned to eliminate duplicates Z: 27 45.377 2.169 0.972 0.917 1.000 0.654 CB 1.468 27 residues pruned to eliminate duplicates Z: 19 36.051 2.239 0.769 0.813 0.944 0.833 CB 1.729 19 residues pruned to eliminate duplicates Z: 16 41.235 2.429 0.611 0.932 1.000 1.000 CB 1.900 16 residues pruned to eliminate duplicates Z: 17 45.483 2.504 0.685 0.925 1.000 0.812 CB 1.892 17 residues pruned to eliminate duplicates Z: 16 50.486 2.504 0.871 0.903 1.000 0.933 CB 1.983 16 residues pruned to eliminate duplicates Z: 16 48.529 2.491 0.857 0.898 1.000 0.867 CB 1.937 16 residues pruned to eliminate duplicates Z: 17 66.456 2.533 1.174 0.951 1.000 0.938 C 2.080 17 residues pruned to eliminate duplicates Z: 27 50.600 2.208 1.203 0.913 1.000 0.731 CB 1.443 27 residues pruned to eliminate duplicates Z: 27 46.145 2.186 1.085 0.904 0.962 0.769 CB 1.471 27 residues pruned to eliminate duplicates Z: 9 11.116 1.709 0.397 0.830 0.875 0.500 CA 1.416 9 residues pruned to eliminate duplicates Z: 27 43.942 2.174 0.942 0.910 0.962 0.846 CB 1.506 27 residues pruned to eliminate duplicates Z: 12 11.117 1.795 0.121 0.939 1.000 1.000 CB 1.157 12 residues pruned to eliminate duplicates Z: 52 69.579 2.532 0.731 0.719 0.941 0.627 CB 1.939 52 residues pruned to eliminate duplicates Z: 17 31.721 2.290 0.664 0.867 0.875 0.875 CB 1.740 17 residues pruned to eliminate duplicates Z: 6 10.583 2.098 0.069 0.832 1.000 0.600 C 1.584 6 residues pruned to eliminate duplicates Z: 27 27.687 2.283 0.260 0.631 0.885 0.654 CB 1.887 27 residues pruned to eliminate duplicates Z: 15 47.628 2.521 1.118 0.912 0.929 0.857 CB 1.818 15 residues pruned to eliminate duplicates Z: 18 37.237 2.227 0.956 0.929 1.000 0.706 CB 1.451 18 residues pruned to eliminate duplicates Z: 17 38.562 2.499 0.420 0.894 1.000 0.875 CA 1.947 17 residues pruned to eliminate duplicates Z: 16 35.235 2.151 1.222 0.946 1.000 0.867 CB 1.316 16 residues pruned to eliminate duplicates Z: 40 27.843 1.987 0.659 0.641 0.897 0.641 CB 1.320 25 residues pruned to eliminate duplicates Z: 11 27.016 2.249 0.672 0.800 1.000 0.500 C 1.747 11 residues pruned to eliminate duplicates Z: 17 27.599 2.147 0.687 0.933 1.000 1.000 CB 1.329 17 residues pruned to eliminate duplicates Z: 18 29.390 2.055 0.791 0.937 1.000 0.941 CB 1.348 18 residues pruned to eliminate duplicates Z: 13 11.150 1.699 0.345 0.879 1.000 0.583 CB 1.021 Z: 6 7.831 2.097 0.539 0.477 0.800 0.600 CA 1.390 6 residues pruned to eliminate duplicates Z: 13 25.144 1.989 0.815 0.935 1.000 0.833 CB 1.401 13 residues pruned to eliminate duplicates Z: 8 12.318 1.916 0.103 0.837 1.000 0.857 CA 1.648 8 residues pruned to eliminate duplicates Z: 8 3.972 1.870 -0.233 0.675 0.857 0.571 CB 1.039 Z: 26 95.455 2.609 1.396 0.948 1.000 0.840 CB 2.109 26 residues pruned to eliminate duplicates Z: 14 9.125 1.776 0.722 0.361 0.923 0.385 CB 1.041 Z: 43 57.418 2.378 0.854 0.685 0.881 0.643 CB 1.924 43 residues pruned to eliminate duplicates Z: 57 46.557 2.147 0.609 0.677 0.982 0.643 CB 1.558 56 residues pruned to eliminate duplicates Z: 38 44.746 2.112 0.919 0.805 0.973 0.757 CB 1.430 46 residues pruned to eliminate duplicates Z: 11 10.627 2.153 0.420 0.757 0.600 0.300 CB 1.456 11 residues pruned to eliminate duplicates Z: 12 11.378 1.788 0.196 0.933 1.000 0.909 CB 1.120 12 residues pruned to eliminate duplicates Z: 12 17.053 1.895 0.395 0.868 1.000 0.636 C 1.422 12 residues pruned to eliminate duplicates Z: 33 45.248 2.377 0.634 0.636 1.000 0.594 CB 1.813 33 residues pruned to eliminate duplicates Z: 18 46.218 2.318 0.822 0.908 1.000 0.882 CA 1.885 18 residues pruned to eliminate duplicates Z: 9 7.069 1.455 0.481 0.813 0.875 0.625 CA 1.009 9 residues pruned to eliminate duplicates Z: 16 34.312 2.137 1.145 0.940 1.000 1.000 CB 1.342 16 residues pruned to eliminate duplicates Z: 16 33.883 2.380 0.547 0.856 0.933 0.867 CA 1.878 16 residues pruned to eliminate duplicates Z: 17 24.563 2.118 0.796 0.882 1.000 0.875 CB 1.168 17 residues pruned to eliminate duplicates Z: 17 39.006 2.307 0.807 0.886 1.000 0.938 CB 1.688 17 residues pruned to eliminate duplicates Z: 17 32.313 2.138 1.125 0.935 1.000 0.812 CB 1.239 17 residues pruned to eliminate duplicates Z: 27 45.095 2.176 1.169 0.932 0.923 0.731 CB 1.418 27 residues pruned to eliminate duplicates Z: 6 5.559 1.494 0.154 0.696 1.000 0.800 C 1.205 Z: 18 43.796 2.424 1.006 0.853 0.941 0.706 CB 1.715 18 residues pruned to eliminate duplicates Z: 11 18.793 2.034 0.212 0.839 1.000 0.600 C 1.800 11 residues pruned to eliminate duplicates Z: 18 34.791 2.242 0.777 0.932 1.000 0.941 CB 1.480 18 residues pruned to eliminate duplicates Z: 44 56.977 2.382 0.738 0.722 0.930 0.791 CB 1.847 53 residues pruned to eliminate duplicates Z: 7 7.387 2.146 -0.069 0.804 0.833 0.833 CB 1.390 7 residues pruned to eliminate duplicates Z: 10 25.759 2.297 0.748 0.844 1.000 0.778 CB 1.591 10 residues pruned to eliminate duplicates Z: 12 10.073 1.790 0.250 0.820 1.000 0.636 CB 1.028 12 residues pruned to eliminate duplicates Z: 12 12.485 1.838 0.473 0.886 1.000 0.636 CB 1.004 12 residues pruned to eliminate duplicates Z: 14 23.451 1.937 0.780 0.906 1.000 0.615 CB 1.342 14 residues pruned to eliminate duplicates Z: 10 14.119 1.915 0.360 0.749 1.000 0.667 CA 1.447 10 residues pruned to eliminate duplicates Z: 18 39.486 2.378 0.643 0.926 1.000 0.824 CA 1.718 18 residues pruned to eliminate duplicates Z: 13 21.708 2.013 0.765 0.940 0.917 0.833 CB 1.337 13 residues pruned to eliminate duplicates Z: 16 43.741 2.301 1.082 0.933 1.000 0.867 CB 1.646 16 residues pruned to eliminate duplicates Z: 16 46.230 2.572 0.671 0.885 1.000 0.733 CB 2.004 16 residues pruned to eliminate duplicates Z: 16 43.926 2.442 0.964 0.898 1.000 0.733 CB 1.691 16 residues pruned to eliminate duplicates Z: 64 80.040 2.518 0.720 0.750 0.968 0.794 CB 1.924 64 residues pruned to eliminate duplicates Z: 75 72.314 2.249 0.851 0.764 0.986 0.662 CB 1.620 78 residues pruned to eliminate duplicates Z: 11 19.644 2.031 0.810 0.885 0.900 0.500 CB 1.355 11 residues pruned to eliminate duplicates Z: 34 50.509 2.430 0.826 0.621 0.879 0.727 CB 2.012 34 residues pruned to eliminate duplicates Z: 65 63.726 2.377 0.568 0.723 0.938 0.703 CB 1.864 65 residues pruned to eliminate duplicates Z: 12 14.539 1.765 0.611 0.937 1.000 0.818 CB 1.073 12 residues pruned to eliminate duplicates Z: 18 35.687 2.305 0.493 0.907 1.000 0.882 CB 1.788 18 residues pruned to eliminate duplicates Z: 11 30.737 2.423 0.648 0.884 0.900 0.800 CB 1.955 11 residues pruned to eliminate duplicates Z: 18 50.855 2.308 1.219 0.870 0.941 0.765 CB 1.868 18 residues pruned to eliminate duplicates Z: 41 52.417 2.404 0.766 0.588 0.900 0.675 CB 1.995 41 residues pruned to eliminate duplicates Z: 15 51.983 2.507 0.829 0.943 1.000 1.000 C 2.100 15 residues pruned to eliminate duplicates Z: 137 113.466 2.477 0.827 0.739 0.963 0.728 CB 1.802 137 residues pruned to eliminate duplicates Z: 18 62.220 2.439 1.077 0.929 1.000 0.765 C 2.084 18 residues pruned to eliminate duplicates Z: 13 24.800 1.963 0.832 0.918 1.000 0.750 CB 1.403 13 residues pruned to eliminate duplicates Z: 12 15.049 2.108 0.519 0.584 0.818 0.455 CB 1.598 12 residues pruned to eliminate duplicates Z: 13 21.950 1.939 0.649 0.928 1.000 0.750 CB 1.388 13 residues pruned to eliminate duplicates Z: 12 20.354 2.094 0.682 0.785 0.818 0.636 C 1.657 12 residues pruned to eliminate duplicates Z: 118 95.736 2.407 0.809 0.700 0.966 0.684 CB 1.755 119 residues pruned to eliminate duplicates Z: 56 40.506 2.060 0.642 0.651 0.909 0.636 CB 1.543 55 residues pruned to eliminate duplicates Z: 10 6.211 1.510 0.027 0.825 0.889 0.556 CA 1.134 10 residues pruned to eliminate duplicates Z: 16 36.309 2.379 0.599 0.931 0.933 0.933 CB 1.845 16 residues pruned to eliminate duplicates Z: 54 70.837 2.427 0.770 0.732 0.962 0.698 CB 1.911 54 residues pruned to eliminate duplicates Z: 10 22.193 2.287 0.368 0.856 1.000 0.889 CA 1.744 10 residues pruned to eliminate duplicates Z: 113 95.543 2.461 0.727 0.725 0.955 0.777 CB 1.816 113 residues pruned to eliminate duplicates Z: 9 22.408 2.177 0.670 0.837 1.000 0.875 C 1.630 9 residues pruned to eliminate duplicates Z: 15 32.073 2.487 0.729 0.889 0.857 0.786 CB 1.675 15 residues pruned to eliminate duplicates Z: 26 45.646 2.401 0.608 0.717 1.000 0.760 CB 1.943 26 residues pruned to eliminate duplicates Z: 29 16.767 1.814 0.379 0.641 0.929 0.714 CB 1.196 29 residues pruned to eliminate duplicates Z: 127 100.127 2.477 0.676 0.735 0.944 0.786 CB 1.841 127 residues pruned to eliminate duplicates Z: 20 63.564 2.549 0.915 0.902 1.000 0.737 C 2.131 20 residues pruned to eliminate duplicates Z: 28 25.996 1.912 0.691 0.704 0.963 0.741 CB 1.334 29 residues pruned to eliminate duplicates Z: 13 33.814 2.571 0.576 0.827 0.917 0.750 C 1.981 13 residues pruned to eliminate duplicates Z: 6 7.128 1.798 0.544 0.498 1.000 0.600 CB 1.150 6 residues pruned to eliminate duplicates Z: 7 7.842 1.550 0.261 0.770 1.000 1.000 CA 1.289 6 residues pruned to eliminate duplicates Z: 12 6.030 1.665 0.454 0.296 0.909 0.636 CB 1.038 12 residues pruned to eliminate duplicates Z: 17 48.769 2.466 0.952 0.936 1.000 0.938 CB 1.763 17 residues pruned to eliminate duplicates Z: 17 41.437 2.436 0.507 0.956 1.000 1.000 CA 1.938 17 residues pruned to eliminate duplicates Z: 44 40.356 2.100 0.734 0.691 0.977 0.721 CB 1.453 39 residues pruned to eliminate duplicates Z: 19 21.853 2.051 0.563 0.539 0.944 0.667 C 1.638 19 residues pruned to eliminate duplicates Z: 47 58.314 2.367 0.901 0.749 0.978 0.826 CB 1.564 47 residues pruned to eliminate duplicates Z: 46 26.177 2.038 0.413 0.570 0.933 0.578 CB 1.357 46 residues pruned to eliminate duplicates Z: 14 14.174 1.867 0.938 0.397 1.000 0.615 CB 1.211 14 residues pruned to eliminate duplicates Z: 17 23.966 2.074 0.647 0.898 1.000 0.812 CB 1.254 17 residues pruned to eliminate duplicates Z: 15 24.053 1.901 0.798 0.946 1.000 0.929 CB 1.301 15 residues pruned to eliminate duplicates Z: 40 27.172 1.899 0.596 0.649 0.897 0.590 CB 1.392 40 residues pruned to eliminate duplicates Z: 73 57.193 2.241 0.623 0.661 0.958 0.736 CB 1.665 73 residues pruned to eliminate duplicates Z: 59 68.529 2.450 0.889 0.615 0.879 0.655 CB 1.984 59 residues pruned to eliminate duplicates Z: 18 45.469 2.469 0.859 0.883 1.000 0.824 CB 1.737 18 residues pruned to eliminate duplicates Z: 95 71.089 2.221 0.755 0.709 0.957 0.713 CB 1.624 95 residues pruned to eliminate duplicates Z: 14 11.773 1.732 0.473 0.893 0.846 0.692 CB 1.086 14 residues pruned to eliminate duplicates Z: 28 18.254 1.813 0.527 0.666 0.963 0.778 CB 1.130 28 residues pruned to eliminate duplicates Z: 35 37.280 2.152 0.879 0.632 0.941 0.824 CB 1.484 35 residues pruned to eliminate duplicates Z: 11 27.377 2.136 0.668 0.940 1.000 0.800 C 1.687 11 residues pruned to eliminate duplicates Z: 36 57.777 2.414 0.846 0.755 0.943 0.743 CB 1.852 36 residues pruned to eliminate duplicates Z: 18 30.941 2.193 0.683 0.919 1.000 0.824 CB 1.434 18 residues pruned to eliminate duplicates Z: 36 45.723 2.324 0.592 0.670 0.971 0.686 CB 1.838 36 residues pruned to eliminate duplicates Z: 43 25.473 1.941 0.606 0.586 0.905 0.595 CB 1.284 43 residues pruned to eliminate duplicates Z: 21 30.695 2.316 0.775 0.563 0.900 0.650 C 1.746 21 residues pruned to eliminate duplicates Z: 17 45.687 2.371 0.823 0.922 1.000 0.875 CB 1.859 17 residues pruned to eliminate duplicates Z: 97 81.016 2.396 0.781 0.719 0.948 0.760 CB 1.678 97 residues pruned to eliminate duplicates Z: 15 24.772 1.880 0.852 0.907 1.000 0.857 CB 1.352 15 residues pruned to eliminate duplicates Z: 16 44.138 2.480 0.718 0.907 1.000 0.933 CB 1.901 16 residues pruned to eliminate duplicates Z: 16 27.172 2.105 0.784 0.929 1.000 1.000 CB 1.307 16 residues pruned to eliminate duplicates Z: 16 39.351 2.471 0.487 0.890 1.000 0.600 CB 1.990 16 residues pruned to eliminate duplicates Z: 26 14.809 1.816 0.195 0.730 0.960 0.800 CB 1.156 26 residues pruned to eliminate duplicates Z: 11 22.154 2.161 0.610 0.806 0.900 0.700 C 1.713 11 residues pruned to eliminate duplicates Z: 22 73.879 2.590 1.039 0.909 1.000 0.810 CB 2.168 22 residues pruned to eliminate duplicates Z: 14 17.827 1.913 0.585 0.762 0.923 0.846 CB 1.400 14 residues pruned to eliminate duplicates Z: 31 45.131 2.390 0.946 0.613 0.900 0.667 CB 1.769 31 residues pruned to eliminate duplicates Z: 17 29.742 2.100 0.844 0.938 1.000 0.875 CB 1.335 17 residues pruned to eliminate duplicates Z: 80 78.672 2.455 0.623 0.699 0.975 0.797 CB 1.900 80 residues pruned to eliminate duplicates Z: 18 24.816 2.012 0.941 0.903 1.000 0.882 CB 1.099 18 residues pruned to eliminate duplicates Z: 10 18.806 2.155 0.649 0.639 0.889 0.667 CB 1.741 10 residues pruned to eliminate duplicates Z: 37 52.788 2.380 0.634 0.714 1.000 0.750 CB 1.864 37 residues pruned to eliminate duplicates Z: 12 24.099 2.203 0.481 0.900 1.000 0.909 CB 1.590 12 residues pruned to eliminate duplicates Z: 24 80.142 2.654 1.171 0.804 1.000 0.826 CB 2.224 24 residues pruned to eliminate duplicates Z: 84 77.560 2.284 0.852 0.739 0.988 0.783 CB 1.644 84 residues pruned to eliminate duplicates Z: 64 65.418 2.338 0.790 0.752 0.968 0.778 CB 1.624 64 residues pruned to eliminate duplicates Z: 28 17.521 1.808 0.399 0.665 1.000 0.741 CB 1.144 28 residues pruned to eliminate duplicates Z: 9 25.605 2.118 0.775 0.881 1.000 0.750 C 1.744 9 residues pruned to eliminate duplicates Z: 7 4.667 1.712 0.385 0.700 0.667 0.500 C 1.005 7 residues pruned to eliminate duplicates Z: 96 102.262 2.495 0.778 0.745 0.979 0.789 CB 1.940 96 residues pruned to eliminate duplicates Z: 11 11.707 1.868 0.296 0.861 1.000 0.600 CB 1.123 11 residues pruned to eliminate duplicates Z: 16 17.614 2.321 0.361 0.491 0.800 0.400 CB 1.816 16 residues pruned to eliminate duplicates Z: 19 38.066 2.502 0.613 0.853 1.000 0.722 CB 1.643 19 residues pruned to eliminate duplicates Z: 7 3.799 1.588 0.181 0.421 1.000 0.500 CB 0.898 Z: 94 58.674 2.177 0.680 0.677 0.946 0.720 CB 1.493 94 residues pruned to eliminate duplicates Z: 13 11.146 1.731 0.289 0.836 1.000 0.750 CB 1.079 13 residues pruned to eliminate duplicates Z: 17 46.871 2.504 0.961 0.915 0.938 0.875 CB 1.799 17 residues pruned to eliminate duplicates Z: 41 60.536 2.485 0.704 0.730 0.975 0.775 CB 1.885 41 residues pruned to eliminate duplicates Z: 8 9.750 1.936 -0.031 0.730 1.000 0.857 CA 1.598 8 residues pruned to eliminate duplicates Z: 19 25.286 2.339 0.483 0.480 0.944 0.444 CB 1.856 19 residues pruned to eliminate duplicates Z: 17 29.767 2.039 0.853 0.889 1.000 0.875 CB 1.418 17 residues pruned to eliminate duplicates Z: 12 26.631 2.092 0.682 0.898 1.000 0.909 C 1.632 12 residues pruned to eliminate duplicates Z: 59 58.326 2.337 0.792 0.760 0.931 0.793 CB 1.558 59 residues pruned to eliminate duplicates Z: 27 37.999 2.337 0.519 0.728 0.923 0.846 CB 1.852 20 residues pruned to eliminate duplicates Z: 104 106.139 2.528 0.762 0.723 0.961 0.718 CB 1.998 104 residues pruned to eliminate duplicates Z: 49 31.555 2.001 0.582 0.583 0.938 0.583 CB 1.417 49 residues pruned to eliminate duplicates Z: 25 27.898 2.157 0.532 0.582 0.917 0.500 CB 1.738 25 residues pruned to eliminate duplicates Z: 17 43.194 2.497 0.587 0.910 1.000 0.875 CB 1.934 17 residues pruned to eliminate duplicates Z: 36 49.245 2.410 0.589 0.655 0.971 0.600 CB 1.938 36 residues pruned to eliminate duplicates Z: 10 26.999 2.207 0.985 0.804 1.000 0.444 CB 1.575 10 residues pruned to eliminate duplicates Z: 80 64.425 2.239 0.700 0.690 0.975 0.722 CB 1.641 80 residues pruned to eliminate duplicates Z: 6 4.850 1.455 0.020 0.837 1.000 0.600 CA 1.094 6 residues pruned to eliminate duplicates Z: 16 18.201 1.938 0.658 0.516 1.000 0.533 CB 1.439 16 residues pruned to eliminate duplicates Z: 14 21.752 1.930 0.640 0.911 1.000 0.769 CB 1.351 14 residues pruned to eliminate duplicates 6 1.302 1.649 -0.271 0.527 0.800 0.400 CB 0.589 ? Z: 66 80.702 2.517 0.750 0.744 0.969 0.800 CB 1.885 66 residues pruned to eliminate duplicates Z: 43 58.036 2.509 0.652 0.656 0.929 0.643 CB 2.014 43 residues pruned to eliminate duplicates Z: 28 17.080 1.815 0.380 0.670 1.000 0.704 CB 1.122 28 residues pruned to eliminate duplicates Z: 11 17.566 1.867 0.853 0.738 1.000 0.500 CA 1.297 11 residues pruned to eliminate duplicates Z: 6 5.942 1.536 0.517 0.709 0.800 0.400 C 1.179 6 residues pruned to eliminate duplicates Z: 91 73.868 2.291 0.731 0.735 0.956 0.756 CB 1.663 91 residues pruned to eliminate duplicates Z: 8 2.798 1.464 0.315 0.217 0.714 0.286 N 1.073 8 residues pruned to eliminate duplicates Z: 29 22.201 1.877 0.650 0.613 0.929 0.714 CB 1.311 29 residues pruned to eliminate duplicates Z: 30 57.609 2.624 0.865 0.640 0.966 0.793 CB 1.986 30 residues pruned to eliminate duplicates Z: 6 4.325 1.504 0.782 0.786 1.000 0.800 CB 0.561 6 residues pruned to eliminate duplicates Z: 37 51.210 2.437 0.604 0.676 0.972 0.639 CB 1.909 37 residues pruned to eliminate duplicates Z: 59 45.109 2.144 0.755 0.643 0.931 0.690 CB 1.479 59 residues pruned to eliminate duplicates Z: 17 21.559 2.089 0.516 0.545 0.938 0.500 C 1.737 17 residues pruned to eliminate duplicates Z: 12 14.531 1.787 0.456 0.940 1.000 0.818 CB 1.169 12 residues pruned to eliminate duplicates Z: 12 9.553 1.742 0.296 0.853 1.000 0.909 CB 0.943 12 residues pruned to eliminate duplicates Z: 105 103.751 2.530 0.718 0.723 0.952 0.731 CB 2.011 133 residues pruned to eliminate duplicates Z: 39 42.141 2.111 0.690 0.826 0.974 0.816 CB 1.484 39 residues pruned to eliminate duplicates Z: 16 18.473 2.221 0.523 0.469 0.800 0.667 C 1.819 16 residues pruned to eliminate duplicates Z: 33 60.610 2.492 0.767 0.722 0.969 0.719 CB 2.055 33 residues pruned to eliminate duplicates Z: 17 54.165 2.596 1.018 0.943 0.938 0.938 CB 1.911 17 residues pruned to eliminate duplicates Z: 9 11.192 1.995 0.586 0.405 1.000 0.500 CA 1.382 9 residues pruned to eliminate duplicates Z: 12 22.027 2.308 0.328 0.627 1.000 0.636 CA 1.923 13 residues pruned to eliminate duplicates Z: 42 47.896 2.409 0.574 0.661 0.902 0.659 CB 1.884 42 residues pruned to eliminate duplicates Z: 39 64.891 2.519 0.671 0.815 0.974 0.868 CB 1.953 39 residues pruned to eliminate duplicates Z: 12 17.630 2.200 0.446 0.529 0.909 0.545 CB 1.785 12 residues pruned to eliminate duplicates Z: 73 62.362 2.285 0.780 0.623 0.944 0.611 CB 1.704 47 residues pruned to eliminate duplicates Z: 12 15.114 1.796 0.525 0.939 1.000 0.909 CB 1.157 12 residues pruned to eliminate duplicates Z: 29 47.421 2.429 0.513 0.768 1.000 0.857 CB 1.924 29 residues pruned to eliminate duplicates Z: 14 13.262 1.928 0.476 0.476 1.000 0.538 CB 1.324 14 residues pruned to eliminate duplicates Z: 6 3.290 1.481 0.479 0.436 0.600 0.600 O 1.196 Z: 19 16.607 1.965 0.635 0.391 0.889 0.556 CB 1.539 19 residues pruned to eliminate duplicates Z: 7 8.709 1.840 0.145 0.806 1.000 0.833 CB 1.293 7 residues pruned to eliminate duplicates Z: 31 45.603 2.416 0.781 0.589 0.967 0.700 CB 1.839 31 residues pruned to eliminate duplicates Z: 7 7.309 1.711 0.410 0.720 0.833 0.833 CB 1.218 7 residues pruned to eliminate duplicates Z: 13 6.229 1.658 0.243 0.344 0.917 0.583 CB 1.128 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 15.553 2.253 0.240 0.713 1.000 0.857 C 1.735 8 residues pruned to eliminate duplicates Z: 43 28.746 2.018 0.596 0.607 0.905 0.548 CB 1.375 43 residues pruned to eliminate duplicates Z: 28 53.787 2.481 0.798 0.735 0.926 0.630 C 2.029 28 residues pruned to eliminate duplicates Z: 30 40.378 2.442 0.486 0.663 0.897 0.690 CB 1.981 30 residues pruned to eliminate duplicates Z: 16 18.413 2.330 0.518 0.505 0.800 0.333 CB 1.671 16 residues pruned to eliminate duplicates Z: 42 30.015 1.995 0.580 0.626 0.951 0.537 CB 1.388 42 residues pruned to eliminate duplicates Z: 15 21.993 2.406 0.566 0.522 0.857 0.286 CB 1.781 15 residues pruned to eliminate duplicates Z: 17 19.653 2.306 0.542 0.450 0.875 0.438 CB 1.662 17 residues pruned to eliminate duplicates Z: 17 16.878 2.219 0.496 0.454 0.750 0.375 CB 1.776 17 residues pruned to eliminate duplicates Z: 34 41.515 2.340 0.617 0.653 0.909 0.545 CB 1.822 34 residues pruned to eliminate duplicates Z: 58 46.692 2.156 0.594 0.669 0.965 0.667 CB 1.595 58 residues pruned to eliminate duplicates Z: 56 43.628 2.162 0.511 0.692 0.964 0.673 CB 1.567 54 residues pruned to eliminate duplicates Z: 19 43.538 2.307 0.653 0.913 1.000 0.944 CB 1.905 19 residues pruned to eliminate duplicates Z: 17 46.459 2.435 0.701 0.875 1.000 0.875 CB 2.040 17 residues pruned to eliminate duplicates Z: 57 45.366 2.157 0.559 0.690 0.964 0.643 CB 1.570 56 residues pruned to eliminate duplicates Z: 15 44.496 2.515 0.660 0.932 1.000 1.000 CB 1.990 15 residues pruned to eliminate duplicates Z: 30 48.212 2.455 0.597 0.712 0.931 0.793 CB 2.023 30 residues pruned to eliminate duplicates Z: 23 36.032 2.361 0.614 0.704 0.864 0.773 CA 1.938 23 residues pruned to eliminate duplicates Z: 58 44.496 2.152 0.522 0.690 0.947 0.702 CB 1.596 58 residues pruned to eliminate duplicates Z: 31 45.556 2.418 0.582 0.689 0.933 0.633 CB 1.959 31 residues pruned to eliminate duplicates Z: 17 47.714 2.461 0.746 0.873 1.000 0.812 CB 2.022 17 residues pruned to eliminate duplicates Z: 18 39.517 2.412 0.657 0.824 1.000 0.824 CB 1.811 18 residues pruned to eliminate duplicates Z: 72 79.699 2.513 0.634 0.732 0.972 0.676 CB 1.923 72 residues pruned to eliminate duplicates Z: 108 77.859 2.326 0.642 0.683 0.972 0.692 CB 1.713 108 residues pruned to eliminate duplicates Z: 20 41.867 2.251 0.692 0.898 1.000 0.895 CB 1.804 20 residues pruned to eliminate duplicates Z: 121 95.071 2.439 0.606 0.702 0.975 0.700 CB 1.891 121 residues pruned to eliminate duplicates Z: 75 80.757 2.503 0.643 0.709 0.973 0.770 CB 1.941 75 residues pruned to eliminate duplicates Z: 144 100.727 2.379 0.660 0.736 0.972 0.769 CB 1.775 144 residues pruned to eliminate duplicates Z: 80 83.457 2.522 0.643 0.711 0.962 0.722 CB 1.945 80 residues pruned to eliminate duplicates Z: 77 78.790 2.508 0.659 0.701 0.934 0.803 CB 1.935 77 residues pruned to eliminate duplicates Z: 94 83.862 2.421 0.715 0.677 0.957 0.667 CB 1.860 94 residues pruned to eliminate duplicates Z: 25 36.996 2.433 0.725 0.614 0.875 0.750 CB 1.847 25 residues pruned to eliminate duplicates Z: 92 91.706 2.486 0.718 0.739 0.956 0.780 CB 1.899 92 residues pruned to eliminate duplicates Z: 53 69.073 2.538 0.671 0.717 0.962 0.827 CB 1.930 53 residues pruned to eliminate duplicates Z: 105 97.119 2.467 0.719 0.733 0.971 0.740 CB 1.875 105 residues pruned to eliminate duplicates Z: 78 86.397 2.493 0.811 0.691 0.935 0.701 CB 1.959 78 residues pruned to eliminate duplicates Z: 76 95.831 2.552 0.834 0.729 0.973 0.693 CB 1.977 76 residues pruned to eliminate duplicates Z: 137 104.747 2.430 0.748 0.724 0.941 0.699 CB 1.836 137 residues pruned to eliminate duplicates Z: 51 71.802 2.539 0.756 0.710 0.960 0.760 CB 1.960 51 residues pruned to eliminate duplicates Z: 96 105.578 2.533 0.821 0.729 0.947 0.684 CB 2.016 96 residues pruned to eliminate duplicates Z: 91 86.936 2.440 0.772 0.695 0.956 0.633 CB 1.856 91 residues pruned to eliminate duplicates Z: 149 102.091 2.371 0.723 0.709 0.959 0.730 CB 1.771 149 residues pruned to eliminate duplicates Z: 127 99.677 2.415 0.722 0.727 0.968 0.730 CB 1.798 127 residues pruned to eliminate duplicates Z: 55 75.789 2.496 0.824 0.697 0.981 0.704 CB 1.928 55 residues pruned to eliminate duplicates Z: 127 96.978 2.375 0.744 0.729 0.968 0.746 CB 1.753 127 residues pruned to eliminate duplicates Z: 85 89.265 2.528 0.774 0.697 0.929 0.726 CB 1.955 85 residues pruned to eliminate duplicates Z: 67 88.535 2.527 0.800 0.765 0.970 0.742 CB 1.953 67 residues pruned to eliminate duplicates Z: 141 103.851 2.401 0.698 0.747 0.964 0.700 CB 1.790 141 residues pruned to eliminate duplicates Z: 71 86.131 2.542 0.717 0.729 0.971 0.743 CB 1.975 71 residues pruned to eliminate duplicates Z: 76 90.584 2.512 0.823 0.713 0.973 0.720 CB 1.934 76 residues pruned to eliminate duplicates Z: 53 67.187 2.490 0.692 0.680 0.962 0.692 CB 1.949 53 residues pruned to eliminate duplicates Z: 111 91.840 2.411 0.731 0.719 0.955 0.745 CB 1.804 111 residues pruned to eliminate duplicates Z: 107 81.070 2.351 0.683 0.708 0.953 0.698 CB 1.729 108 residues pruned to eliminate duplicates Z: 17 43.939 2.550 0.537 0.894 1.000 1.000 CA 2.010 17 residues pruned to eliminate duplicates Z: 88 83.370 2.446 0.719 0.681 0.943 0.724 CB 1.910 88 residues pruned to eliminate duplicates Z: 91 92.153 2.448 0.790 0.710 0.978 0.689 CB 1.874 91 residues pruned to eliminate duplicates Z: 123 92.099 2.383 0.675 0.737 0.959 0.738 CB 1.761 123 residues pruned to eliminate duplicates Z: 121 92.432 2.463 0.634 0.696 0.933 0.733 CB 1.878 121 residues pruned to eliminate duplicates Z: 70 76.975 2.491 0.721 0.708 0.913 0.783 CB 1.960 70 residues pruned to eliminate duplicates Z: 118 104.767 2.467 0.771 0.709 0.974 0.692 CB 1.882 118 residues pruned to eliminate duplicates Z: 118 104.175 2.466 0.783 0.701 0.957 0.675 CB 1.905 118 residues pruned to eliminate duplicates Z: 25 31.670 2.317 0.567 0.631 0.917 0.583 CB 1.718 25 residues pruned to eliminate duplicates Z: 96 71.701 2.254 0.680 0.711 0.958 0.726 CB 1.676 96 residues pruned to eliminate duplicates Z: 129 93.043 2.356 0.694 0.719 0.969 0.711 CB 1.744 129 residues pruned to eliminate duplicates Z: 19 27.956 2.252 0.421 0.650 1.000 0.722 CB 1.791 19 residues pruned to eliminate duplicates Z: 127 96.587 2.373 0.756 0.722 0.968 0.738 CB 1.745 127 residues pruned to eliminate duplicates Z: 94 70.083 2.270 0.624 0.723 0.968 0.753 CB 1.665 94 residues pruned to eliminate duplicates Z: 21 20.072 2.166 0.514 0.505 0.850 0.400 CB 1.602 21 residues pruned to eliminate duplicates Z: 12 24.609 2.285 0.590 0.741 0.909 0.727 C 1.809 12 residues pruned to eliminate duplicates Z: 12 20.074 2.242 0.412 0.649 0.909 0.636 C 1.829 12 residues pruned to eliminate duplicates Z: 42 65.995 2.464 0.786 0.725 0.976 0.732 CB 1.960 42 residues pruned to eliminate duplicates Z: 93 64.415 2.190 0.663 0.689 0.946 0.739 CB 1.640 93 residues pruned to eliminate duplicates Z: 37 55.670 2.396 0.875 0.715 0.917 0.667 CB 1.855 37 residues pruned to eliminate duplicates Z: 51 54.727 2.300 0.646 0.697 0.960 0.700 CB 1.779 51 residues pruned to eliminate duplicates Z: 93 63.219 2.189 0.639 0.702 0.946 0.717 CB 1.616 93 residues pruned to eliminate duplicates Z: 24 40.004 2.359 0.762 0.650 0.957 0.565 CB 1.825 24 residues pruned to eliminate duplicates Z: 25 33.391 2.331 0.667 0.626 0.917 0.625 CB 1.699 25 residues pruned to eliminate duplicates Z: 112 100.782 2.451 0.753 0.717 0.964 0.703 CB 1.897 112 residues pruned to eliminate duplicates Z: 43 62.856 2.423 0.755 0.728 0.976 0.762 CB 1.903 43 residues pruned to eliminate duplicates Z: 73 91.249 2.500 0.856 0.743 0.986 0.708 CB 1.891 73 residues pruned to eliminate duplicates Z: 91 72.151 2.308 0.648 0.725 0.967 0.756 CB 1.688 91 residues pruned to eliminate duplicates Z: 88 73.518 2.247 0.731 0.734 0.989 0.713 CB 1.661 88 residues pruned to eliminate duplicates Z: 119 97.040 2.434 0.710 0.723 0.966 0.678 CB 1.817 119 residues pruned to eliminate duplicates Z: 61 63.465 2.385 0.624 0.683 0.950 0.717 CB 1.883 61 residues pruned to eliminate duplicates Z: 91 100.288 2.517 0.763 0.752 0.967 0.756 CB 1.968 91 residues pruned to eliminate duplicates Z: 51 55.500 2.303 0.649 0.703 0.960 0.640 CB 1.789 51 residues pruned to eliminate duplicates Z: 155 110.740 2.403 0.720 0.733 0.974 0.695 CB 1.799 156 residues pruned to eliminate duplicates Z: 18 57.121 2.428 1.043 0.906 1.000 0.882 C 1.987 18 residues pruned to eliminate duplicates Z: 156 108.432 2.396 0.731 0.705 0.968 0.735 CB 1.801 156 residues pruned to eliminate duplicates Z: 71 81.257 2.476 0.779 0.716 0.957 0.743 CB 1.895 71 residues pruned to eliminate duplicates Z: 77 68.477 2.279 0.684 0.715 0.987 0.737 CB 1.707 77 residues pruned to eliminate duplicates Z: 91 68.405 2.216 0.736 0.695 0.944 0.711 CB 1.661 91 residues pruned to eliminate duplicates Z: 86 66.175 2.251 0.699 0.727 0.929 0.671 CB 1.646 86 residues pruned to eliminate duplicates Z: 43 62.589 2.365 0.874 0.699 0.976 0.619 CB 1.862 43 residues pruned to eliminate duplicates Z: 120 102.049 2.449 0.745 0.705 0.975 0.723 CB 1.864 120 residues pruned to eliminate duplicates Z: 36 63.750 2.419 0.899 0.728 0.971 0.686 CB 1.967 36 residues pruned to eliminate duplicates Z: 103 106.950 2.511 0.876 0.714 0.961 0.647 CB 1.927 103 residues pruned to eliminate duplicates Z: 181 105.017 2.305 0.729 0.711 0.956 0.728 CB 1.697 181 residues pruned to eliminate duplicates Z: 74 62.837 2.197 0.726 0.696 0.986 0.781 CB 1.644 74 residues pruned to eliminate duplicates Z: 76 92.845 2.501 0.913 0.702 0.960 0.680 CB 1.942 76 residues pruned to eliminate duplicates Z: 94 77.995 2.393 0.735 0.689 0.957 0.677 CB 1.713 94 residues pruned to eliminate duplicates Z: 106 90.613 2.438 0.769 0.732 0.971 0.733 CB 1.713 106 residues pruned to eliminate duplicates Z: 56 64.692 2.393 0.827 0.793 0.945 0.836 CB 1.632 56 residues pruned to eliminate duplicates Z: 142 110.537 2.486 0.696 0.745 0.965 0.773 CB 1.839 143 residues pruned to eliminate duplicates Z: 17 42.676 2.402 0.661 0.899 1.000 0.875 CB 1.910 17 residues pruned to eliminate duplicates Z: 128 99.171 2.453 0.717 0.727 0.953 0.756 CB 1.788 128 residues pruned to eliminate duplicates Z: 138 110.247 2.504 0.714 0.756 0.964 0.766 CB 1.813 138 residues pruned to eliminate duplicates Z: 143 109.160 2.485 0.703 0.752 0.951 0.789 CB 1.818 143 residues pruned to eliminate duplicates Z: 106 91.042 2.418 0.751 0.730 0.971 0.743 CB 1.757 106 residues pruned to eliminate duplicates Z: 72 71.707 2.324 0.972 0.708 0.958 0.732 CB 1.606 72 residues pruned to eliminate duplicates Z: 104 96.321 2.517 0.677 0.744 0.971 0.796 CB 1.861 104 residues pruned to eliminate duplicates Z: 55 65.704 2.382 0.938 0.790 0.944 0.778 CB 1.590 55 residues pruned to eliminate duplicates Z: 19 35.173 2.271 0.719 0.752 0.944 0.722 CB 1.795 19 residues pruned to eliminate duplicates Z: 54 66.778 2.403 0.847 0.783 0.962 0.736 CB 1.674 54 residues pruned to eliminate duplicates Z: 119 94.043 2.455 0.700 0.714 0.932 0.737 CB 1.834 119 residues pruned to eliminate duplicates Z: 71 74.397 2.361 0.988 0.715 0.957 0.714 CB 1.630 71 residues pruned to eliminate duplicates Z: 92 78.181 2.363 0.781 0.694 0.956 0.714 CB 1.705 92 residues pruned to eliminate duplicates Z: 96 95.104 2.518 0.689 0.727 0.958 0.716 CB 1.952 96 residues pruned to eliminate duplicates Z: 95 75.651 2.386 0.615 0.694 0.947 0.702 CB 1.791 95 residues pruned to eliminate duplicates Z: 97 82.181 2.425 0.632 0.699 0.938 0.698 CB 1.886 97 residues pruned to eliminate duplicates Z: 107 88.217 2.404 0.816 0.699 0.943 0.689 CB 1.735 107 residues pruned to eliminate duplicates Z: 95 86.068 2.495 0.629 0.720 0.936 0.734 CB 1.912 95 residues pruned to eliminate duplicates Z: 86 94.395 2.582 0.631 0.751 0.976 0.741 CB 1.991 86 residues pruned to eliminate duplicates Z: 99 84.376 2.456 0.647 0.699 0.918 0.735 CB 1.914 99 residues pruned to eliminate duplicates Z: 109 80.869 2.397 0.677 0.714 0.944 0.741 CB 1.688 109 residues pruned to eliminate duplicates Z: 143 108.763 2.498 0.696 0.748 0.951 0.768 CB 1.817 143 residues pruned to eliminate duplicates Z: 142 107.131 2.495 0.661 0.748 0.957 0.766 CB 1.822 142 residues pruned to eliminate duplicates Z: 144 109.038 2.468 0.752 0.733 0.944 0.776 CB 1.812 144 residues pruned to eliminate duplicates Z: 106 90.487 2.427 0.793 0.719 0.952 0.752 CB 1.748 106 residues pruned to eliminate duplicates Z: 108 93.989 2.500 0.625 0.722 0.953 0.776 CB 1.920 108 residues pruned to eliminate duplicates Z: 106 90.600 2.432 0.756 0.735 0.962 0.724 CB 1.742 106 residues pruned to eliminate duplicates Z: 96 76.865 2.375 0.738 0.678 0.937 0.611 CB 1.731 96 residues pruned to eliminate duplicates Z: 72 62.797 2.379 0.617 0.654 0.915 0.662 CB 1.834 72 residues pruned to eliminate duplicates Z: 106 94.449 2.441 0.750 0.731 0.971 0.752 CB 1.805 106 residues pruned to eliminate duplicates Z: 107 89.059 2.432 0.711 0.736 0.962 0.745 CB 1.749 107 residues pruned to eliminate duplicates Z: 71 67.080 2.431 0.594 0.687 0.957 0.671 CB 1.821 71 residues pruned to eliminate duplicates Z: 92 76.085 2.379 0.717 0.690 0.934 0.714 CB 1.756 92 residues pruned to eliminate duplicates Z: 92 76.699 2.395 0.688 0.699 0.956 0.758 CB 1.735 92 residues pruned to eliminate duplicates Z: 90 86.632 2.476 0.690 0.722 0.944 0.685 CB 1.903 90 residues pruned to eliminate duplicates Z: 132 109.270 2.493 0.743 0.738 0.962 0.725 CB 1.845 132 residues pruned to eliminate duplicates Z: 106 87.298 2.405 0.774 0.714 0.943 0.667 CB 1.745 106 residues pruned to eliminate duplicates Z: 71 71.245 2.429 0.662 0.678 0.957 0.700 CB 1.871 71 residues pruned to eliminate duplicates Z: 109 86.385 2.395 0.749 0.705 0.963 0.741 CB 1.711 109 residues pruned to eliminate duplicates Z: 52 58.939 2.438 0.625 0.668 0.941 0.608 CB 1.895 52 residues pruned to eliminate duplicates Z: 107 98.535 2.500 0.660 0.735 0.972 0.755 CB 1.922 107 residues pruned to eliminate duplicates Z: 104 90.153 2.429 0.800 0.706 0.961 0.728 CB 1.752 104 residues pruned to eliminate duplicates Z: 75 87.358 2.542 0.672 0.737 0.973 0.716 CB 1.985 75 residues pruned to eliminate duplicates Z: 97 84.415 2.496 0.654 0.696 0.927 0.698 CB 1.882 56 residues pruned to eliminate duplicates Z: 22 46.088 2.497 0.581 0.810 1.000 0.714 CA 1.945 22 residues pruned to eliminate duplicates Z: 37 49.350 2.437 0.592 0.686 0.917 0.722 CB 1.950 37 residues pruned to eliminate duplicates Z: 87 88.748 2.492 0.681 0.710 0.977 0.721 CB 1.933 87 residues pruned to eliminate duplicates Z: 95 92.277 2.510 0.709 0.723 0.926 0.734 CB 1.961 95 residues pruned to eliminate duplicates Z: 41 49.039 2.409 0.598 0.650 0.975 0.750 CB 1.797 41 residues pruned to eliminate duplicates Z: 109 88.967 2.407 0.771 0.704 0.954 0.722 CB 1.749 109 residues pruned to eliminate duplicates Z: 40 52.328 2.448 0.581 0.665 0.974 0.641 CB 1.907 40 residues pruned to eliminate duplicates Z: 128 108.231 2.466 0.791 0.734 0.969 0.732 CB 1.820 128 residues pruned to eliminate duplicates Z: 36 59.671 2.516 0.700 0.719 0.971 0.714 CB 1.991 36 residues pruned to eliminate duplicates Z: 88 93.161 2.540 0.637 0.754 0.977 0.770 CB 1.960 88 residues pruned to eliminate duplicates Z: 142 118.822 2.496 0.800 0.752 0.972 0.773 CB 1.830 142 residues pruned to eliminate duplicates Z: 142 113.079 2.467 0.780 0.744 0.957 0.745 CB 1.820 142 residues pruned to eliminate duplicates Z: 97 88.290 2.448 0.723 0.709 0.958 0.708 CB 1.843 97 residues pruned to eliminate duplicates Z: 51 61.686 2.453 0.719 0.692 0.920 0.660 CB 1.885 33 residues pruned to eliminate duplicates Z: 14 28.226 2.162 0.537 0.819 1.000 0.769 CA 1.786 14 residues pruned to eliminate duplicates Z: 13 27.666 2.302 0.601 0.844 0.917 0.667 CB 1.760 13 residues pruned to eliminate duplicates Z: 97 88.897 2.495 0.660 0.713 0.948 0.740 CB 1.906 97 residues pruned to eliminate duplicates Z: 91 89.474 2.485 0.637 0.729 0.967 0.756 CB 1.952 53 residues pruned to eliminate duplicates Z: 29 60.510 2.518 0.809 0.823 0.964 0.679 CB 1.968 29 residues pruned to eliminate duplicates Z: 87 91.782 2.563 0.654 0.739 0.965 0.733 CB 1.951 89 residues pruned to eliminate duplicates Z: 26 76.272 2.649 0.931 0.920 1.000 0.840 CB 2.099 26 residues pruned to eliminate duplicates Z: 39 68.597 2.613 0.785 0.774 0.921 0.816 CB 2.032 39 residues pruned to eliminate duplicates Z: 144 113.130 2.474 0.760 0.751 0.965 0.762 CB 1.799 144 residues pruned to eliminate duplicates Z: 98 85.564 2.447 0.636 0.695 0.959 0.701 CB 1.893 98 residues pruned to eliminate duplicates Z: 38 77.833 2.589 0.888 0.807 1.000 0.811 CB 2.004 38 residues pruned to eliminate duplicates Z: 97 95.908 2.482 0.773 0.728 0.958 0.729 CB 1.891 95 residues pruned to eliminate duplicates Z: 26 84.918 2.700 0.999 0.937 1.000 0.880 CB 2.191 26 residues pruned to eliminate duplicates Z: 77 81.037 2.492 0.671 0.732 0.934 0.776 CB 1.939 77 residues pruned to eliminate duplicates Z: 38 78.927 2.598 0.852 0.807 1.000 0.865 CB 2.064 38 residues pruned to eliminate duplicates Z: 39 70.481 2.528 0.943 0.799 0.921 0.816 CB 1.946 39 residues pruned to eliminate duplicates Z: 40 71.349 2.531 0.925 0.773 0.949 0.769 CB 1.941 40 residues pruned to eliminate duplicates Z: 78 98.589 2.548 0.865 0.740 0.948 0.714 CB 2.010 78 residues pruned to eliminate duplicates Z: 29 74.150 2.572 1.059 0.807 0.964 0.821 CB 2.100 29 residues pruned to eliminate duplicates Z: 143 118.800 2.490 0.815 0.753 0.965 0.796 CB 1.825 143 residues pruned to eliminate duplicates Z: 46 63.656 2.390 0.929 0.686 0.933 0.644 CB 1.859 46 residues pruned to eliminate duplicates Z: 132 117.348 2.496 0.857 0.752 0.969 0.748 CB 1.823 144 residues pruned to eliminate duplicates Z: 26 90.378 2.671 1.168 0.939 1.000 0.800 CB 2.169 26 residues pruned to eliminate duplicates Z: 77 101.940 2.571 0.856 0.748 0.974 0.697 CB 2.016 77 residues pruned to eliminate duplicates Z: 28 87.701 2.656 1.191 0.834 1.000 0.667 CB 2.175 28 residues pruned to eliminate duplicates Z: 87 101.917 2.542 0.830 0.745 0.965 0.756 CB 1.966 77 residues pruned to eliminate duplicates Z: 27 86.842 2.583 1.298 0.941 0.962 0.962 CB 2.071 27 residues pruned to eliminate duplicates Z: 73 97.132 2.582 0.843 0.761 0.958 0.736 CB 1.991 73 residues pruned to eliminate duplicates Z: 146 118.905 2.450 0.875 0.743 0.959 0.800 CB 1.804 146 residues pruned to eliminate duplicates Z: 40 73.455 2.534 0.979 0.764 0.949 0.769 CB 1.956 40 residues pruned to eliminate duplicates Z: 64 74.987 2.428 0.842 0.700 0.937 0.651 CB 1.880 64 residues pruned to eliminate duplicates Z: 131 110.270 2.434 0.886 0.717 0.954 0.708 CB 1.814 131 residues pruned to eliminate duplicates Z: 40 74.064 2.532 0.940 0.788 0.949 0.769 CB 1.976 39 residues pruned to eliminate duplicates Z: 8 13.132 2.417 -0.135 0.771 1.000 0.857 CB 1.867 8 residues pruned to eliminate duplicates Z: 38 79.428 2.578 0.976 0.795 1.000 0.811 CB 1.980 39 residues pruned to eliminate duplicates Z: 6 10.046 2.289 -0.158 0.881 1.000 0.600 CB 1.687 6 residues pruned to eliminate duplicates Z: 39 79.266 2.573 1.027 0.788 0.947 0.842 CB 2.020 39 residues pruned to eliminate duplicates Z: 143 125.375 2.484 0.903 0.751 0.965 0.725 CB 1.844 143 residues pruned to eliminate duplicates Z: 96 92.859 2.475 0.772 0.719 0.916 0.684 CB 1.946 35 residues pruned to eliminate duplicates Z: 8 13.073 1.992 0.507 0.857 0.857 0.857 CB 1.415 Z: 17 46.834 2.602 0.659 0.896 1.000 0.812 CB 1.943 17 residues pruned to eliminate duplicates Z: 19 34.399 2.482 0.583 0.774 0.889 0.778 CB 1.823 19 residues pruned to eliminate duplicates Z: 16 48.323 2.613 0.711 0.875 1.000 0.933 CA 2.030 16 residues pruned to eliminate duplicates Z: 56 65.482 2.401 0.814 0.779 0.964 0.855 CB 1.644 56 residues pruned to eliminate duplicates Z: 146 88.324 2.315 0.672 0.698 0.966 0.717 CB 1.639 146 residues pruned to eliminate duplicates Z: 16 49.906 2.653 0.765 0.863 1.000 1.000 CB 2.018 16 residues pruned to eliminate duplicates Z: 55 69.831 2.423 0.886 0.788 0.963 0.741 CB 1.676 55 residues pruned to eliminate duplicates Z: 17 40.655 2.569 0.579 0.863 1.000 1.000 CB 1.838 17 residues pruned to eliminate duplicates Z: 17 37.578 2.457 0.714 0.804 1.000 0.938 CB 1.711 17 residues pruned to eliminate duplicates Z: 144 106.179 2.483 0.682 0.745 0.951 0.734 CB 1.796 152 residues pruned to eliminate duplicates Z: 55 60.319 2.398 0.778 0.785 0.926 0.778 CB 1.618 55 residues pruned to eliminate duplicates Z: 19 36.228 2.419 0.666 0.844 0.944 0.722 CB 1.669 19 residues pruned to eliminate duplicates Z: 73 66.652 2.365 0.738 0.730 0.958 0.764 CB 1.620 73 residues pruned to eliminate duplicates Z: 57 63.302 2.389 0.800 0.753 0.964 0.821 CB 1.628 57 residues pruned to eliminate duplicates Z: 141 115.424 2.511 0.714 0.754 0.971 0.807 CB 1.860 141 residues pruned to eliminate duplicates Z: 19 38.162 2.474 0.696 0.802 0.944 0.611 CB 1.744 19 residues pruned to eliminate duplicates Z: 56 60.958 2.386 0.814 0.751 0.945 0.818 CB 1.605 56 residues pruned to eliminate duplicates Z: 107 85.070 2.405 0.694 0.719 0.943 0.698 CB 1.764 107 residues pruned to eliminate duplicates Z: 55 63.658 2.412 0.816 0.788 0.944 0.852 CB 1.627 55 residues pruned to eliminate duplicates Z: 55 65.188 2.410 0.827 0.785 0.963 0.833 CB 1.629 55 residues pruned to eliminate duplicates Z: 104 93.362 2.461 0.710 0.741 0.990 0.757 CB 1.778 104 residues pruned to eliminate duplicates Z: 39 48.837 2.286 0.968 0.711 0.921 0.868 CB 1.579 39 residues pruned to eliminate duplicates Z: 26 38.632 2.475 0.618 0.703 0.960 0.760 CB 1.670 26 residues pruned to eliminate duplicates 364 residues left after pruning, divided into chains as follows: A: 182 B: 87 C: 95 CC for partial structure against native data = 42.40 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.499, Connect. = 0.809 for dens.mod. cycle 1 = 0.300, Contrast = 0.553, Connect. = 0.820 for dens.mod. cycle 2 = 0.300, Contrast = 0.686, Connect. = 0.847 for dens.mod. cycle 3 = 0.300, Contrast = 0.695, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.708, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.714, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.720, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.724, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.728, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.731, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2641 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 605 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 80.832 2.527 1.241 0.923 1.000 0.920 CB 2.006 B: 18 64.565 2.529 1.099 0.945 1.000 1.000 CA 2.041 18 residues pruned to eliminate duplicates C: 18 58.150 2.476 1.063 0.945 1.000 0.941 CB 1.911 17 residues pruned to eliminate duplicates D: 27 76.457 2.509 1.084 0.919 1.000 0.962 CB 2.021 27 residues pruned to eliminate duplicates E: 27 51.618 2.456 0.747 0.903 0.923 0.846 CB 1.822 F: 17 37.350 2.434 0.506 0.915 1.000 0.938 CA 1.801 G: 18 48.182 2.396 0.797 0.931 1.000 0.941 CA 1.896 H: 18 40.984 2.453 0.607 0.889 1.000 0.882 CB 1.816 I: 18 52.391 2.437 0.827 0.940 1.000 0.941 CB 1.983 J: 27 59.944 2.443 0.896 0.927 0.962 0.846 CB 1.849 27 residues pruned to eliminate duplicates K: 19 48.827 2.278 0.934 0.912 1.000 0.889 CA 1.850 18 residues pruned to eliminate duplicates L: 16 36.947 2.473 0.498 0.924 1.000 0.933 CB 1.809 M: 17 40.770 2.459 0.641 0.916 0.938 0.750 CB 1.902 N: 18 37.906 2.362 0.687 0.895 0.882 0.765 CA 1.874 18 residues pruned to eliminate duplicates O: 18 40.754 2.357 0.659 0.947 1.000 0.882 CB 1.747 17 residues pruned to eliminate duplicates P: 27 64.221 2.461 1.158 0.882 0.923 0.808 CB 1.859 27 residues pruned to eliminate duplicates Q: 15 30.171 2.297 0.507 0.926 1.000 0.857 CB 1.634 R: 16 34.434 2.297 0.647 0.890 0.933 0.867 CB 1.811 16 residues pruned to eliminate duplicates S: 26 72.058 2.529 1.173 0.913 0.960 0.880 CB 1.933 27 residues pruned to eliminate duplicates T: 27 80.270 2.478 1.274 0.928 1.000 0.962 CB 1.956 27 residues pruned to eliminate duplicates U: 18 37.146 2.421 0.520 0.897 1.000 0.824 CB 1.753 18 residues pruned to eliminate duplicates V: 21 43.540 2.447 0.617 0.844 0.950 0.950 CB 1.926 21 residues pruned to eliminate duplicates W: 15 29.769 2.324 0.454 0.925 1.000 0.857 CB 1.652 15 residues pruned to eliminate duplicates X: 27 80.990 2.480 1.374 0.886 0.962 0.769 CB 2.023 27 residues pruned to eliminate duplicates Y: 19 53.585 2.311 1.141 0.923 1.000 0.833 CB 1.794 19 residues pruned to eliminate duplicates Z: 18 45.579 2.389 0.727 0.940 1.000 0.941 CB 1.860 18 residues pruned to eliminate duplicates Z: 17 38.697 2.449 0.465 0.903 1.000 0.812 CB 1.922 17 residues pruned to eliminate duplicates Z: 18 44.608 2.447 0.743 0.912 1.000 0.824 CB 1.796 16 residues pruned to eliminate duplicates Z: 18 45.860 2.396 0.671 0.928 1.000 0.941 CB 1.944 19 residues pruned to eliminate duplicates Z: 18 38.447 2.340 0.580 0.874 1.000 0.765 CB 1.835 17 residues pruned to eliminate duplicates Z: 17 32.811 2.427 0.276 0.875 1.000 0.812 CA 1.926 17 residues pruned to eliminate duplicates Z: 27 55.723 2.413 0.942 0.899 0.923 0.808 CB 1.805 27 residues pruned to eliminate duplicates Z: 17 38.991 2.395 0.730 0.929 1.000 1.000 CB 1.646 17 residues pruned to eliminate duplicates Z: 14 27.353 2.363 0.222 0.933 1.000 0.923 CB 1.832 14 residues pruned to eliminate duplicates Z: 18 44.905 2.484 0.587 0.911 0.941 0.882 CA 2.080 18 residues pruned to eliminate duplicates Z: 16 44.388 2.401 0.787 0.922 1.000 0.800 CA 1.879 16 residues pruned to eliminate duplicates Z: 27 60.384 2.470 0.850 0.913 0.962 0.808 CB 1.907 27 residues pruned to eliminate duplicates Z: 27 57.904 2.466 0.705 0.923 0.962 0.923 CB 1.973 27 residues pruned to eliminate duplicates Z: 18 47.840 2.452 0.621 0.946 1.000 1.000 CB 2.020 18 residues pruned to eliminate duplicates Z: 15 26.119 2.300 0.249 0.938 1.000 0.929 CB 1.690 15 residues pruned to eliminate duplicates Z: 17 40.396 2.415 0.717 0.901 0.938 0.938 CA 1.855 17 residues pruned to eliminate duplicates Z: 17 41.355 2.338 0.883 0.921 1.000 0.938 CB 1.653 18 residues pruned to eliminate duplicates Z: 14 55.065 2.505 1.090 0.941 1.000 1.000 CB 2.025 14 residues pruned to eliminate duplicates Z: 18 38.979 2.409 0.796 0.891 0.941 0.706 CB 1.669 18 residues pruned to eliminate duplicates Z: 18 40.881 2.414 0.739 0.900 1.000 0.765 CB 1.687 18 residues pruned to eliminate duplicates Z: 16 54.474 2.659 0.732 0.954 1.000 1.000 CB 2.100 16 residues pruned to eliminate duplicates Z: 18 50.249 2.435 0.813 0.939 1.000 0.941 CB 1.919 18 residues pruned to eliminate duplicates Z: 27 56.485 2.448 0.889 0.917 0.923 0.846 CB 1.832 27 residues pruned to eliminate duplicates Z: 27 52.112 2.406 0.708 0.910 0.962 0.923 CB 1.834 27 residues pruned to eliminate duplicates Z: 9 15.212 2.214 0.231 0.854 0.875 0.750 CB 1.666 9 residues pruned to eliminate duplicates Z: 25 96.617 2.626 1.444 0.928 1.000 0.708 CB 2.152 26 residues pruned to eliminate duplicates Z: 18 46.350 2.368 0.767 0.932 1.000 0.882 CB 1.876 18 residues pruned to eliminate duplicates Z: 27 86.321 2.494 1.374 0.927 1.000 0.923 CB 2.005 27 residues pruned to eliminate duplicates Z: 27 76.983 2.461 1.276 0.939 0.962 0.692 CB 1.948 27 residues pruned to eliminate duplicates Z: 16 44.136 2.466 0.756 0.927 1.000 1.000 CB 1.844 17 residues pruned to eliminate duplicates Z: 18 49.994 2.335 0.942 0.923 1.000 0.941 CA 1.880 18 residues pruned to eliminate duplicates Z: 16 44.989 2.443 0.768 0.901 1.000 0.733 CB 1.920 16 residues pruned to eliminate duplicates Z: 26 73.423 2.582 0.927 0.919 1.000 0.840 CB 2.081 26 residues pruned to eliminate duplicates Z: 27 57.334 2.417 0.709 0.922 1.000 0.962 CB 1.914 27 residues pruned to eliminate duplicates Z: 18 42.241 2.367 0.686 0.935 1.000 0.941 CB 1.789 17 residues pruned to eliminate duplicates Z: 27 51.037 2.425 0.693 0.900 0.962 0.846 CB 1.811 27 residues pruned to eliminate duplicates Z: 18 44.388 2.410 0.836 0.917 1.000 0.882 CB 1.717 18 residues pruned to eliminate duplicates Z: 12 21.270 2.263 0.284 0.859 0.909 0.727 CB 1.787 Z: 17 52.260 2.449 0.969 0.928 1.000 0.812 CB 1.897 18 residues pruned to eliminate duplicates Z: 18 45.552 2.550 0.573 0.944 1.000 0.882 CB 1.907 18 residues pruned to eliminate duplicates Z: 27 55.857 2.471 0.741 0.885 0.962 0.846 CB 1.911 27 residues pruned to eliminate duplicates Z: 18 38.332 2.361 0.585 0.925 1.000 0.824 CB 1.744 18 residues pruned to eliminate duplicates Z: 16 42.539 2.395 0.660 0.906 1.000 0.867 CB 1.965 16 residues pruned to eliminate duplicates Z: 17 42.243 2.491 0.697 0.926 1.000 0.938 CB 1.752 17 residues pruned to eliminate duplicates Z: 27 82.777 2.500 1.282 0.923 1.000 0.885 CB 1.999 27 residues pruned to eliminate duplicates Z: 21 52.334 2.495 0.936 0.895 0.900 0.800 CB 1.930 21 residues pruned to eliminate duplicates Z: 18 37.530 2.424 0.431 0.929 0.941 0.882 CB 1.951 18 residues pruned to eliminate duplicates Z: 17 38.524 2.327 0.640 0.915 1.000 1.000 CB 1.784 Z: 15 32.167 2.341 0.401 0.915 1.000 1.000 CA 1.853 15 residues pruned to eliminate duplicates Z: 16 36.368 2.400 0.609 0.882 1.000 0.867 CB 1.759 16 residues pruned to eliminate duplicates Z: 18 44.822 2.299 1.057 0.895 1.000 0.824 CB 1.647 Z: 18 47.586 2.446 0.860 0.890 0.941 0.882 CB 1.940 18 residues pruned to eliminate duplicates Z: 17 33.190 2.434 0.399 0.894 1.000 0.875 CB 1.748 17 residues pruned to eliminate duplicates Z: 17 38.831 2.329 0.665 0.900 1.000 0.938 CA 1.789 17 residues pruned to eliminate duplicates Z: 18 47.998 2.339 0.994 0.915 1.000 0.882 CB 1.764 18 residues pruned to eliminate duplicates Z: 16 37.399 2.398 0.618 0.920 1.000 1.000 CB 1.752 16 residues pruned to eliminate duplicates Z: 18 49.225 2.457 0.655 0.947 1.000 1.000 CB 2.030 18 residues pruned to eliminate duplicates Z: 18 37.215 2.318 0.781 0.915 1.000 1.000 CB 1.545 18 residues pruned to eliminate duplicates Z: 18 41.159 2.293 0.829 0.909 1.000 0.882 CB 1.690 18 residues pruned to eliminate duplicates Z: 18 41.356 2.428 0.402 0.922 1.000 0.882 CA 2.072 18 residues pruned to eliminate duplicates Z: 17 36.978 2.479 0.694 0.892 0.875 0.750 CB 1.808 17 residues pruned to eliminate duplicates Z: 27 49.664 2.431 0.700 0.897 0.923 0.846 CB 1.828 27 residues pruned to eliminate duplicates Z: 18 42.364 2.298 1.080 0.920 0.941 0.824 CB 1.609 18 residues pruned to eliminate duplicates Z: 17 44.603 2.278 1.166 0.919 0.938 0.812 CB 1.699 17 residues pruned to eliminate duplicates Z: 17 44.207 2.338 0.918 0.903 0.938 0.812 CA 1.873 17 residues pruned to eliminate duplicates Z: 18 45.108 2.354 0.811 0.937 1.000 0.941 CB 1.786 18 residues pruned to eliminate duplicates Z: 18 37.293 2.417 0.625 0.902 1.000 0.882 CB 1.643 17 residues pruned to eliminate duplicates Z: 18 46.383 2.362 0.740 0.933 1.000 0.824 CA 1.911 17 residues pruned to eliminate duplicates Z: 11 14.755 2.216 0.074 0.813 0.900 0.700 C 1.658 Z: 27 44.473 2.415 0.552 0.918 0.923 0.923 CB 1.778 27 residues pruned to eliminate duplicates Z: 17 35.183 2.407 0.435 0.915 1.000 0.812 CA 1.800 17 residues pruned to eliminate duplicates Z: 19 34.969 2.184 0.886 0.903 0.944 0.889 CB 1.511 19 residues pruned to eliminate duplicates Z: 16 42.156 2.394 1.038 0.933 1.000 0.933 CB 1.557 16 residues pruned to eliminate duplicates Z: 28 69.638 2.454 1.030 0.919 1.000 0.889 CB 1.896 28 residues pruned to eliminate duplicates Z: 18 35.872 2.289 0.777 0.894 0.941 0.882 CB 1.630 18 residues pruned to eliminate duplicates Z: 7 17.531 2.547 0.286 0.781 0.833 0.500 CA 2.047 Z: 10 13.173 2.168 0.180 0.799 0.778 0.444 C 1.699 9 residues pruned to eliminate duplicates Z: 18 42.805 2.411 0.774 0.877 1.000 0.882 CB 1.762 18 residues pruned to eliminate duplicates Z: 18 36.178 2.315 0.630 0.928 1.000 0.882 CB 1.629 18 residues pruned to eliminate duplicates Z: 19 47.521 2.331 0.678 0.913 1.000 0.889 CB 2.027 19 residues pruned to eliminate duplicates Z: 18 56.483 2.318 1.252 0.918 0.941 0.706 CA 1.966 18 residues pruned to eliminate duplicates Z: 27 74.665 2.402 1.225 0.944 1.000 0.808 CB 1.898 27 residues pruned to eliminate duplicates Z: 26 81.977 2.507 1.293 0.932 0.960 0.560 CB 2.074 26 residues pruned to eliminate duplicates Z: 18 46.835 2.354 0.923 0.918 1.000 0.882 CB 1.770 18 residues pruned to eliminate duplicates Z: 18 41.525 2.408 0.455 0.918 1.000 0.882 CB 2.026 18 residues pruned to eliminate duplicates Z: 10 17.071 2.309 0.298 0.794 0.889 0.556 C 1.650 11 residues pruned to eliminate duplicates Z: 18 29.980 2.384 0.280 0.881 1.000 0.941 CB 1.725 18 residues pruned to eliminate duplicates Z: 18 45.654 2.352 1.090 0.909 1.000 0.882 CB 1.599 18 residues pruned to eliminate duplicates Z: 17 36.747 2.495 0.463 0.919 1.000 0.938 CB 1.773 17 residues pruned to eliminate duplicates Z: 14 29.640 2.334 0.386 0.939 1.000 1.000 CB 1.765 14 residues pruned to eliminate duplicates Z: 23 37.409 2.340 0.541 0.872 0.955 0.864 CB 1.690 23 residues pruned to eliminate duplicates Z: 15 32.957 2.415 0.363 0.915 1.000 0.929 CA 1.891 15 residues pruned to eliminate duplicates Z: 15 36.252 2.326 0.642 0.918 1.000 0.857 CB 1.790 15 residues pruned to eliminate duplicates Z: 12 19.565 2.359 0.099 0.851 1.000 0.727 CB 1.684 13 residues pruned to eliminate duplicates Z: 27 81.344 2.437 1.364 0.914 1.000 0.769 CB 1.958 27 residues pruned to eliminate duplicates Z: 27 57.894 2.431 0.990 0.907 0.962 0.769 CB 1.735 27 residues pruned to eliminate duplicates Z: 27 55.406 2.434 0.847 0.898 0.923 0.923 CB 1.874 27 residues pruned to eliminate duplicates Z: 11 21.662 2.181 0.456 0.847 0.900 0.900 CB 1.780 Z: 17 47.599 2.463 1.019 0.920 0.938 0.688 CB 1.797 18 residues pruned to eliminate duplicates Z: 27 73.864 2.502 1.096 0.932 0.962 0.846 CB 2.006 27 residues pruned to eliminate duplicates Z: 18 40.059 2.302 0.878 0.890 1.000 0.882 CB 1.617 18 residues pruned to eliminate duplicates Z: 17 41.138 2.424 0.619 0.924 1.000 1.000 CA 1.841 17 residues pruned to eliminate duplicates Z: 27 68.295 2.491 0.931 0.925 1.000 0.808 CB 1.955 27 residues pruned to eliminate duplicates Z: 8 8.921 1.754 0.237 0.811 1.000 0.571 C 1.186 8 residues pruned to eliminate duplicates Z: 18 30.675 2.397 0.530 0.884 0.882 0.882 CB 1.661 18 residues pruned to eliminate duplicates Z: 17 42.193 2.441 0.630 0.918 1.000 0.938 CB 1.869 17 residues pruned to eliminate duplicates Z: 18 39.416 2.319 0.676 0.930 1.000 0.941 CA 1.721 18 residues pruned to eliminate duplicates Z: 17 36.993 2.453 0.555 0.920 1.000 0.938 CB 1.708 17 residues pruned to eliminate duplicates Z: 18 35.575 2.398 0.323 0.911 1.000 0.882 CB 1.928 18 residues pruned to eliminate duplicates Z: 11 27.437 2.288 0.469 0.905 1.000 0.900 CB 1.836 11 residues pruned to eliminate duplicates Z: 16 44.605 2.495 0.881 0.932 1.000 1.000 CB 1.714 17 residues pruned to eliminate duplicates Z: 18 51.204 2.367 0.922 0.923 1.000 0.882 CA 1.918 18 residues pruned to eliminate duplicates Z: 11 22.743 2.112 0.639 0.898 0.900 0.700 CB 1.651 11 residues pruned to eliminate duplicates Z: 17 33.792 2.287 0.558 0.913 1.000 1.000 CB 1.678 17 residues pruned to eliminate duplicates Z: 17 36.484 2.268 0.670 0.903 1.000 0.938 CB 1.717 17 residues pruned to eliminate duplicates Z: 11 21.363 2.174 0.373 0.890 1.000 0.800 C 1.627 Z: 15 31.818 2.331 0.507 0.923 1.000 0.786 CB 1.701 15 residues pruned to eliminate duplicates Z: 17 47.536 2.387 0.954 0.913 1.000 0.938 CB 1.803 17 residues pruned to eliminate duplicates Z: 27 68.527 2.440 1.175 0.936 0.962 0.885 CB 1.833 27 residues pruned to eliminate duplicates Z: 26 50.198 2.511 0.561 0.920 0.960 0.960 CB 1.879 26 residues pruned to eliminate duplicates Z: 7 10.880 1.915 0.265 0.782 1.000 0.833 CB 1.430 Z: 27 60.571 2.449 0.797 0.906 1.000 0.885 CB 1.920 27 residues pruned to eliminate duplicates Z: 17 47.391 2.462 0.791 0.899 1.000 0.938 CA 1.920 17 residues pruned to eliminate duplicates Z: 18 50.660 2.446 0.827 0.867 1.000 0.824 CA 2.011 18 residues pruned to eliminate duplicates Z: 18 39.143 2.431 0.360 0.934 1.000 0.941 CB 2.003 18 residues pruned to eliminate duplicates Z: 9 16.395 2.246 -0.030 0.929 1.000 1.000 CA 1.861 9 residues pruned to eliminate duplicates Z: 17 36.387 2.393 0.519 0.895 0.938 0.938 CA 1.914 17 residues pruned to eliminate duplicates Z: 11 29.710 2.230 0.785 0.913 1.000 1.000 CA 1.670 11 residues pruned to eliminate duplicates Z: 18 45.325 2.272 1.117 0.871 1.000 0.882 CB 1.667 18 residues pruned to eliminate duplicates Z: 18 42.389 2.429 0.480 0.940 1.000 1.000 CB 1.987 18 residues pruned to eliminate duplicates Z: 6 6.897 1.925 0.069 0.741 1.000 0.600 CA 1.208 Z: 16 37.481 2.394 0.635 0.922 1.000 1.000 CB 1.738 16 residues pruned to eliminate duplicates Z: 10 22.530 2.176 0.362 0.915 1.000 0.556 C 1.790 10 residues pruned to eliminate duplicates Z: 12 18.518 2.053 0.347 0.854 0.909 0.727 CB 1.641 10 residues pruned to eliminate duplicates Z: 6 11.035 2.060 0.380 0.773 1.000 0.400 CA 1.364 4 residues pruned to eliminate duplicates Z: 14 15.842 2.102 -0.016 0.940 1.000 0.923 CB 1.476 Z: 15 32.827 2.313 0.641 0.940 1.000 0.929 CB 1.605 15 residues pruned to eliminate duplicates Z: 143 110.734 2.462 0.748 0.740 0.972 0.732 CB 1.792 128 residues pruned to eliminate duplicates Z: 27 71.628 2.432 1.171 0.937 1.000 0.885 CB 1.852 27 residues pruned to eliminate duplicates Z: 10 26.100 2.213 0.525 0.923 1.000 0.889 CB 1.812 12 residues pruned to eliminate duplicates Z: 27 62.716 2.404 1.056 0.925 1.000 0.808 CB 1.746 27 residues pruned to eliminate duplicates Z: 11 16.797 2.113 0.398 0.774 0.900 0.600 C 1.568 10 residues pruned to eliminate duplicates Z: 17 37.244 2.391 0.432 0.910 1.000 1.000 CB 1.928 17 residues pruned to eliminate duplicates Z: 10 19.537 2.305 0.308 0.706 1.000 0.222 CA 1.791 10 residues pruned to eliminate duplicates Z: 16 34.325 2.364 0.486 0.925 1.000 1.000 CB 1.771 16 residues pruned to eliminate duplicates Z: 18 39.306 2.395 0.516 0.895 1.000 0.941 CB 1.882 18 residues pruned to eliminate duplicates Z: 27 69.162 2.436 1.133 0.925 1.000 0.731 CB 1.832 27 residues pruned to eliminate duplicates Z: 12 16.744 2.113 0.446 0.905 1.000 0.909 CB 1.176 Z: 8 7.837 1.778 0.125 0.786 1.000 0.714 CA 1.152 8 residues pruned to eliminate duplicates Z: 26 71.367 2.520 1.136 0.927 0.960 0.840 CB 1.935 26 residues pruned to eliminate duplicates Z: 12 23.739 2.097 0.459 0.892 1.000 0.727 C 1.680 12 residues pruned to eliminate duplicates Z: 11 14.626 2.196 0.133 0.802 0.900 0.600 CB 1.587 11 residues pruned to eliminate duplicates Z: 12 19.507 1.999 0.592 0.856 0.909 0.636 C 1.499 12 residues pruned to eliminate duplicates Z: 15 19.792 2.041 0.247 0.902 1.000 0.857 CB 1.482 14 residues pruned to eliminate duplicates Z: 13 28.365 2.205 0.575 0.869 1.000 0.750 CB 1.723 13 residues pruned to eliminate duplicates Z: 18 39.666 2.391 0.566 0.910 1.000 0.765 CB 1.822 17 residues pruned to eliminate duplicates Z: 17 30.613 2.446 0.307 0.878 1.000 0.938 CB 1.738 17 residues pruned to eliminate duplicates Z: 18 40.150 2.358 0.621 0.924 1.000 0.882 CB 1.788 18 residues pruned to eliminate duplicates Z: 18 39.801 2.435 0.372 0.941 1.000 1.000 CB 2.005 18 residues pruned to eliminate duplicates Z: 18 39.754 2.346 0.689 0.930 1.000 0.882 CB 1.702 18 residues pruned to eliminate duplicates Z: 18 47.857 2.384 0.877 0.937 1.000 0.824 CB 1.804 19 residues pruned to eliminate duplicates Z: 16 48.756 2.406 1.097 0.927 1.000 0.800 CB 1.749 16 residues pruned to eliminate duplicates Z: 11 24.848 2.223 0.541 0.867 0.900 0.800 CA 1.865 11 residues pruned to eliminate duplicates Z: 11 20.819 2.231 0.300 0.907 0.900 0.800 CB 1.793 11 residues pruned to eliminate duplicates Z: 16 27.537 2.264 0.372 0.881 1.000 0.933 CB 1.657 16 residues pruned to eliminate duplicates Z: 8 11.393 1.952 0.178 0.838 1.000 0.857 CA 1.400 Z: 12 19.154 2.076 0.397 0.877 0.909 0.727 C 1.591 12 residues pruned to eliminate duplicates Z: 26 85.916 2.550 1.266 0.945 1.000 0.800 CB 2.059 26 residues pruned to eliminate duplicates Z: 18 49.182 2.389 0.790 0.911 1.000 0.882 CB 1.977 18 residues pruned to eliminate duplicates Z: 16 34.915 2.406 0.546 0.931 1.000 0.933 CB 1.693 16 residues pruned to eliminate duplicates Z: 13 14.287 2.149 -0.108 0.937 1.000 0.833 CB 1.497 13 residues pruned to eliminate duplicates Z: 11 17.665 2.158 0.592 0.723 0.800 0.500 C 1.662 11 residues pruned to eliminate duplicates Z: 7 9.634 1.878 -0.017 0.775 1.000 0.667 C 1.672 7 residues pruned to eliminate duplicates Z: 17 45.541 2.363 0.925 0.936 1.000 0.688 CB 1.743 17 residues pruned to eliminate duplicates Z: 11 22.813 2.285 0.263 0.790 1.000 0.700 CA 1.939 11 residues pruned to eliminate duplicates Z: 13 28.680 2.196 0.653 0.855 1.000 0.583 CB 1.683 13 residues pruned to eliminate duplicates Z: 10 20.511 2.266 0.529 0.811 0.889 0.556 C 1.692 11 residues pruned to eliminate duplicates Z: 11 16.622 2.237 0.246 0.901 1.000 0.700 CB 1.346 11 residues pruned to eliminate duplicates Z: 12 16.027 1.862 0.398 0.845 0.909 0.818 C 1.518 12 residues pruned to eliminate duplicates Z: 26 62.863 2.520 0.921 0.943 0.960 0.880 CB 1.876 26 residues pruned to eliminate duplicates Z: 16 18.538 1.944 0.279 0.903 1.000 0.800 CB 1.372 16 residues pruned to eliminate duplicates Z: 19 39.527 2.244 0.682 0.905 1.000 0.889 CB 1.757 19 residues pruned to eliminate duplicates Z: 18 42.313 2.327 0.848 0.908 1.000 0.882 CB 1.695 18 residues pruned to eliminate duplicates Z: 14 17.859 2.126 0.169 0.943 0.923 0.846 CB 1.496 14 residues pruned to eliminate duplicates Z: 12 24.238 2.095 0.504 0.913 1.000 0.727 C 1.642 11 residues pruned to eliminate duplicates Z: 27 54.118 2.423 0.765 0.935 0.962 0.885 CB 1.798 27 residues pruned to eliminate duplicates Z: 13 25.932 2.112 0.382 0.885 1.000 0.750 CB 1.850 12 residues pruned to eliminate duplicates Z: 27 79.347 2.452 1.342 0.943 0.962 0.846 CB 1.952 27 residues pruned to eliminate duplicates Z: 18 41.695 2.367 0.671 0.932 0.941 0.765 CB 1.897 18 residues pruned to eliminate duplicates Z: 18 36.617 2.353 0.458 0.902 1.000 0.941 CA 1.846 18 residues pruned to eliminate duplicates Z: 10 10.445 1.987 0.650 0.386 0.778 0.444 CB 1.542 7 residues pruned to eliminate duplicates Z: 12 17.427 2.233 0.286 0.844 0.818 0.727 CB 1.664 12 residues pruned to eliminate duplicates Z: 12 21.771 2.280 0.534 0.867 0.818 0.636 CB 1.678 12 residues pruned to eliminate duplicates Z: 17 38.699 2.282 0.692 0.920 1.000 0.750 C 1.765 17 residues pruned to eliminate duplicates Z: 142 117.309 2.462 0.689 0.757 0.986 0.766 CB 1.917 134 residues pruned to eliminate duplicates Z: 16 34.958 2.467 0.438 0.905 1.000 1.000 CB 1.810 16 residues pruned to eliminate duplicates Z: 14 21.768 2.087 0.467 0.911 0.923 0.769 CB 1.514 14 residues pruned to eliminate duplicates Z: 17 52.714 2.413 0.971 0.918 1.000 0.812 CB 1.954 17 residues pruned to eliminate duplicates Z: 12 14.473 2.102 0.373 0.877 0.909 0.909 CB 1.208 12 residues pruned to eliminate duplicates Z: 15 34.764 2.241 0.896 0.887 0.929 0.714 CB 1.698 15 residues pruned to eliminate duplicates Z: 15 21.331 2.068 0.251 0.938 1.000 0.643 CB 1.532 15 residues pruned to eliminate duplicates Z: 15 20.285 2.036 0.246 0.915 1.000 0.857 CB 1.511 15 residues pruned to eliminate duplicates Z: 11 8.932 2.031 -0.148 0.724 0.900 0.800 C 1.483 11 residues pruned to eliminate duplicates Z: 10 13.169 1.960 0.425 0.742 1.000 0.778 C 1.265 10 residues pruned to eliminate duplicates Z: 17 39.626 2.389 0.830 0.935 1.000 0.938 CB 1.579 17 residues pruned to eliminate duplicates Z: 10 17.141 2.123 0.116 0.918 1.000 1.000 CA 1.700 10 residues pruned to eliminate duplicates Z: 17 44.888 2.322 1.032 0.931 1.000 1.000 CB 1.662 17 residues pruned to eliminate duplicates Z: 11 14.067 2.151 0.227 0.720 0.800 0.500 C 1.727 10 residues pruned to eliminate duplicates Z: 14 18.041 2.111 0.088 0.930 1.000 0.846 CB 1.522 14 residues pruned to eliminate duplicates Z: 18 40.857 2.342 0.670 0.935 1.000 0.824 CB 1.767 18 residues pruned to eliminate duplicates Z: 7 6.009 1.709 0.018 0.710 1.000 0.500 CA 1.166 7 residues pruned to eliminate duplicates Z: 16 42.139 2.459 0.560 0.888 1.000 0.800 CA 2.044 16 residues pruned to eliminate duplicates Z: 18 41.220 2.359 0.806 0.914 0.941 0.941 CB 1.763 18 residues pruned to eliminate duplicates Z: 17 48.625 2.461 1.100 0.944 0.938 0.875 CB 1.737 17 residues pruned to eliminate duplicates Z: 15 21.059 2.078 0.355 0.931 0.929 0.643 CB 1.505 14 residues pruned to eliminate duplicates Z: 22 38.544 2.411 0.457 0.827 0.952 0.810 CB 1.895 22 residues pruned to eliminate duplicates Z: 13 28.067 2.154 0.680 0.867 1.000 0.833 CB 1.638 13 residues pruned to eliminate duplicates Z: 12 28.530 2.353 0.547 0.896 1.000 0.909 CB 1.693 12 residues pruned to eliminate duplicates Z: 13 22.021 2.137 0.695 0.879 0.833 0.750 CB 1.527 13 residues pruned to eliminate duplicates Z: 147 93.890 2.410 0.617 0.691 0.938 0.610 CB 1.785 135 residues pruned to eliminate duplicates Z: 17 37.466 2.440 0.426 0.940 1.000 1.000 CB 1.869 17 residues pruned to eliminate duplicates Z: 13 16.835 2.017 0.348 0.899 1.000 0.917 CB 1.279 13 residues pruned to eliminate duplicates Z: 12 21.987 2.335 0.182 0.884 1.000 0.818 CB 1.735 12 residues pruned to eliminate duplicates Z: 16 36.720 2.411 0.556 0.920 1.000 1.000 CB 1.779 16 residues pruned to eliminate duplicates Z: 9 11.825 1.893 0.315 0.864 1.000 0.625 C 1.231 9 residues pruned to eliminate duplicates Z: 13 18.767 2.148 0.246 0.835 1.000 0.833 CB 1.516 13 residues pruned to eliminate duplicates Z: 18 47.401 2.310 1.135 0.886 1.000 0.588 CB 1.681 18 residues pruned to eliminate duplicates Z: 12 28.438 2.124 0.558 0.915 1.000 0.909 CA 1.831 12 residues pruned to eliminate duplicates Z: 13 18.679 2.151 0.423 0.787 0.833 0.667 CB 1.642 13 residues pruned to eliminate duplicates Z: 39 66.338 2.390 0.923 0.774 0.974 0.763 C 1.888 39 residues pruned to eliminate duplicates Z: 6 9.652 1.749 0.177 0.882 1.000 1.000 C 1.516 6 residues pruned to eliminate duplicates Z: 43 45.015 2.310 0.616 0.601 0.952 0.571 CB 1.774 42 residues pruned to eliminate duplicates Z: 17 35.610 2.317 0.518 0.881 1.000 0.750 CB 1.833 17 residues pruned to eliminate duplicates Z: 15 30.559 2.329 0.491 0.934 1.000 1.000 CB 1.640 15 residues pruned to eliminate duplicates Z: 14 40.877 2.357 0.845 0.942 1.000 0.923 CB 1.808 14 residues pruned to eliminate duplicates Z: 18 39.332 2.319 0.765 0.928 1.000 1.000 CB 1.632 18 residues pruned to eliminate duplicates Z: 57 44.786 2.279 0.398 0.693 0.929 0.554 CB 1.696 44 residues pruned to eliminate duplicates Z: 26 90.104 2.564 1.359 0.938 1.000 0.800 CB 2.073 26 residues pruned to eliminate duplicates Z: 44 31.300 2.174 0.421 0.597 0.907 0.512 CB 1.553 44 residues pruned to eliminate duplicates Z: 38 37.952 2.317 0.640 0.587 0.919 0.568 CB 1.643 39 residues pruned to eliminate duplicates Z: 19 38.473 2.215 0.732 0.916 0.944 0.833 CB 1.768 19 residues pruned to eliminate duplicates Z: 17 33.600 2.491 0.351 0.910 1.000 0.875 CB 1.771 17 residues pruned to eliminate duplicates Z: 91 75.842 2.380 0.708 0.706 0.933 0.689 CB 1.747 91 residues pruned to eliminate duplicates Z: 15 18.900 2.084 0.140 0.913 1.000 0.857 CB 1.506 15 residues pruned to eliminate duplicates Z: 10 24.721 2.150 0.525 0.908 1.000 0.889 C 1.785 10 residues pruned to eliminate duplicates Z: 18 39.205 2.310 0.661 0.920 1.000 0.941 CB 1.745 18 residues pruned to eliminate duplicates Z: 7 18.781 2.189 0.390 0.876 1.000 0.833 CA 1.831 7 residues pruned to eliminate duplicates Z: 18 52.757 2.359 1.040 0.946 1.000 0.941 CB 1.838 18 residues pruned to eliminate duplicates Z: 12 20.159 2.002 0.512 0.925 1.000 0.818 C 1.409 12 residues pruned to eliminate duplicates Z: 17 43.049 2.444 0.709 0.899 1.000 1.000 CA 1.842 17 residues pruned to eliminate duplicates Z: 13 19.748 2.150 0.557 0.824 0.833 0.667 CB 1.544 13 residues pruned to eliminate duplicates Z: 16 37.102 2.167 0.868 0.937 1.000 0.733 CB 1.647 16 residues pruned to eliminate duplicates Z: 17 32.456 2.328 0.421 0.881 1.000 0.812 CA 1.776 17 residues pruned to eliminate duplicates Z: 26 73.603 2.522 1.203 0.936 0.960 0.800 CB 1.923 26 residues pruned to eliminate duplicates Z: 16 34.377 2.182 0.755 0.901 1.000 0.733 CB 1.654 16 residues pruned to eliminate duplicates Z: 16 42.836 2.388 0.834 0.910 1.000 0.867 CB 1.791 16 residues pruned to eliminate duplicates Z: 148 96.618 2.389 0.699 0.661 0.952 0.667 CB 1.776 147 residues pruned to eliminate duplicates Z: 17 26.053 2.191 0.374 0.933 1.000 0.875 CB 1.510 17 residues pruned to eliminate duplicates Z: 18 41.445 2.376 0.787 0.925 0.941 0.941 CB 1.765 18 residues pruned to eliminate duplicates Z: 17 38.496 2.417 0.475 0.923 1.000 0.938 CB 1.898 17 residues pruned to eliminate duplicates Z: 16 27.192 2.252 0.600 0.876 0.867 0.867 CB 1.633 16 residues pruned to eliminate duplicates Z: 52 54.556 2.362 0.554 0.695 0.961 0.706 CB 1.812 52 residues pruned to eliminate duplicates Z: 15 20.999 2.022 0.270 0.914 1.000 0.857 CB 1.545 15 residues pruned to eliminate duplicates Z: 139 112.345 2.445 0.854 0.725 0.971 0.768 CB 1.773 139 residues pruned to eliminate duplicates Z: 15 37.932 2.330 0.722 0.940 1.000 0.929 CB 1.755 15 residues pruned to eliminate duplicates Z: 41 30.323 2.132 0.482 0.540 0.900 0.475 CB 1.620 41 residues pruned to eliminate duplicates Z: 9 5.666 1.827 0.151 0.445 0.750 0.500 N 1.344 9 residues pruned to eliminate duplicates Z: 18 40.491 2.306 0.800 0.916 1.000 0.941 CB 1.670 18 residues pruned to eliminate duplicates Z: 90 81.371 2.358 0.719 0.737 0.966 0.730 CB 1.780 90 residues pruned to eliminate duplicates Z: 14 22.318 2.115 0.347 0.934 1.000 0.769 CB 1.516 14 residues pruned to eliminate duplicates Z: 16 39.102 2.375 0.668 0.925 1.000 0.933 CB 1.788 16 residues pruned to eliminate duplicates Z: 8 16.326 2.194 0.426 0.813 0.857 0.714 N 1.752 8 residues pruned to eliminate duplicates Z: 17 40.666 2.421 0.618 0.902 1.000 0.875 CA 1.851 17 residues pruned to eliminate duplicates Z: 26 53.710 2.498 0.603 0.930 1.000 0.960 CB 1.876 26 residues pruned to eliminate duplicates Z: 18 34.416 2.346 0.557 0.924 0.941 0.941 CB 1.706 18 residues pruned to eliminate duplicates Z: 8 11.734 1.963 0.533 0.838 0.857 0.714 CB 1.285 8 residues pruned to eliminate duplicates Z: 29 27.556 2.129 0.388 0.667 1.000 0.643 CB 1.509 29 residues pruned to eliminate duplicates Z: 15 40.033 2.318 0.843 0.939 1.000 0.857 CB 1.740 15 residues pruned to eliminate duplicates Z: 18 42.099 2.329 0.761 0.928 1.000 0.882 CB 1.744 18 residues pruned to eliminate duplicates Z: 94 79.525 2.332 0.768 0.713 0.935 0.753 CB 1.763 94 residues pruned to eliminate duplicates Z: 10 25.641 2.390 0.397 0.877 1.000 0.778 CB 1.859 10 residues pruned to eliminate duplicates Z: 6 11.612 1.992 0.100 0.883 1.000 1.000 CA 1.712 6 residues pruned to eliminate duplicates Z: 18 45.242 2.415 0.838 0.906 1.000 0.765 CB 1.758 18 residues pruned to eliminate duplicates Z: 175 115.870 2.447 0.688 0.702 0.977 0.672 CB 1.811 175 residues pruned to eliminate duplicates Z: 16 34.199 2.472 0.471 0.921 1.000 0.733 CB 1.708 16 residues pruned to eliminate duplicates Z: 9 18.523 2.326 0.471 0.814 0.750 0.625 CA 1.943 9 residues pruned to eliminate duplicates Z: 11 19.662 2.216 0.099 0.929 1.000 1.000 CB 1.787 11 residues pruned to eliminate duplicates Z: 6 14.210 2.156 0.416 0.693 1.000 0.600 CB 1.746 6 residues pruned to eliminate duplicates Z: 42 42.678 2.291 0.541 0.613 0.951 0.610 CB 1.783 43 residues pruned to eliminate duplicates Z: 10 15.508 2.048 0.446 0.745 0.889 0.556 C 1.578 10 residues pruned to eliminate duplicates Z: 27 54.451 2.376 1.030 0.898 0.923 0.808 CB 1.716 27 residues pruned to eliminate duplicates Z: 16 42.999 2.428 0.775 0.929 1.000 0.867 CB 1.803 16 residues pruned to eliminate duplicates Z: 12 21.361 2.061 0.442 0.886 0.909 0.818 CB 1.721 12 residues pruned to eliminate duplicates Z: 14 39.970 2.326 0.843 0.928 1.000 0.846 CB 1.811 14 residues pruned to eliminate duplicates Z: 6 5.925 1.998 0.271 0.610 0.800 0.200 CB 1.176 6 residues pruned to eliminate duplicates Z: 7 11.770 1.825 0.229 0.857 1.000 0.667 CB 1.579 6 residues pruned to eliminate duplicates Z: 17 29.942 2.371 0.427 0.861 0.938 0.938 CB 1.733 17 residues pruned to eliminate duplicates Z: 17 33.710 2.352 0.530 0.866 0.938 0.812 CA 1.829 17 residues pruned to eliminate duplicates Z: 18 41.258 2.276 0.804 0.897 1.000 0.882 CA 1.745 18 residues pruned to eliminate duplicates Z: 29 34.242 2.241 0.566 0.642 0.929 0.714 CB 1.739 29 residues pruned to eliminate duplicates Z: 16 35.177 2.364 0.568 0.916 1.000 1.000 CB 1.731 16 residues pruned to eliminate duplicates Z: 18 60.595 2.417 1.174 0.912 1.000 0.765 C 1.981 18 residues pruned to eliminate duplicates Z: 16 42.388 2.346 0.863 0.934 1.000 0.733 CB 1.746 16 residues pruned to eliminate duplicates Z: 8 8.687 1.715 0.138 0.790 0.857 0.714 CA 1.520 8 residues pruned to eliminate duplicates Z: 25 83.830 2.534 1.289 0.940 1.000 0.750 CB 2.049 25 residues pruned to eliminate duplicates Z: 15 37.999 2.271 0.867 0.883 1.000 0.714 CB 1.732 15 residues pruned to eliminate duplicates Z: 18 27.977 2.247 0.351 0.920 1.000 1.000 CB 1.574 18 residues pruned to eliminate duplicates Z: 24 39.789 2.312 0.792 0.688 0.913 0.783 CB 1.846 24 residues pruned to eliminate duplicates Z: 15 39.351 2.294 0.775 0.925 1.000 0.786 C 1.813 15 residues pruned to eliminate duplicates Z: 11 22.019 2.223 0.266 0.894 1.000 0.900 CA 1.774 11 residues pruned to eliminate duplicates Z: 17 29.955 2.431 0.284 0.903 1.000 0.875 CB 1.710 17 residues pruned to eliminate duplicates Z: 8 8.701 1.889 0.240 0.886 0.857 0.571 CA 1.181 8 residues pruned to eliminate duplicates Z: 18 45.997 2.376 0.739 0.932 1.000 0.941 CB 1.886 18 residues pruned to eliminate duplicates Z: 12 25.662 2.319 0.494 0.866 1.000 0.818 CB 1.635 12 residues pruned to eliminate duplicates Z: 13 20.596 2.155 0.599 0.769 0.917 0.750 CB 1.483 13 residues pruned to eliminate duplicates Z: 7 14.482 2.070 0.593 0.819 0.833 0.667 C 1.631 7 residues pruned to eliminate duplicates Z: 13 17.428 2.137 0.169 0.834 1.000 0.500 CB 1.510 13 residues pruned to eliminate duplicates Z: 10 18.248 2.287 0.448 0.686 1.000 0.444 CA 1.548 10 residues pruned to eliminate duplicates Z: 16 30.027 2.349 0.411 0.916 1.000 0.933 CB 1.652 16 residues pruned to eliminate duplicates Z: 11 19.250 2.077 0.594 0.763 0.900 0.600 C 1.618 11 residues pruned to eliminate duplicates Z: 8 9.578 1.708 0.239 0.830 0.857 0.714 C 1.500 8 residues pruned to eliminate duplicates Z: 57 49.879 2.268 0.555 0.676 0.964 0.643 CB 1.666 57 residues pruned to eliminate duplicates Z: 58 59.814 2.377 0.745 0.684 0.895 0.579 CB 1.803 58 residues pruned to eliminate duplicates Z: 13 30.948 2.286 0.488 0.934 1.000 1.000 CB 1.832 13 residues pruned to eliminate duplicates Z: 26 62.842 2.458 0.872 0.886 1.000 0.800 CB 1.971 26 residues pruned to eliminate duplicates Z: 58 61.083 2.351 0.668 0.695 0.965 0.684 CB 1.788 58 residues pruned to eliminate duplicates Z: 18 40.217 2.266 0.791 0.911 1.000 0.882 CB 1.702 18 residues pruned to eliminate duplicates Z: 16 46.406 2.386 0.840 0.922 1.000 1.000 CA 1.919 16 residues pruned to eliminate duplicates Z: 56 36.658 2.133 0.513 0.585 0.855 0.582 CB 1.653 56 residues pruned to eliminate duplicates Z: 12 9.868 2.041 -0.113 0.882 1.000 0.909 CB 1.189 12 residues pruned to eliminate duplicates Z: 6 9.275 2.150 0.051 0.793 1.000 0.600 CB 1.418 6 residues pruned to eliminate duplicates Z: 18 37.697 2.186 0.728 0.900 1.000 0.941 CA 1.728 18 residues pruned to eliminate duplicates Z: 11 20.626 2.205 0.325 0.799 1.000 0.700 C 1.717 11 residues pruned to eliminate duplicates Z: 8 10.117 1.731 0.194 0.850 0.857 0.857 C 1.599 8 residues pruned to eliminate duplicates Z: 17 39.321 2.408 0.527 0.875 1.000 0.875 CA 1.945 17 residues pruned to eliminate duplicates Z: 18 36.281 2.282 0.501 0.891 1.000 0.765 CB 1.846 18 residues pruned to eliminate duplicates Z: 6 8.569 2.092 0.563 0.582 0.800 0.400 CB 1.354 6 residues pruned to eliminate duplicates Z: 127 100.795 2.443 0.655 0.738 0.960 0.794 CB 1.869 127 residues pruned to eliminate duplicates Z: 16 37.744 2.386 0.599 0.932 1.000 0.867 CB 1.783 16 residues pruned to eliminate duplicates Z: 7 6.256 1.836 0.644 0.425 0.833 0.500 CA 1.097 7 residues pruned to eliminate duplicates Z: 7 8.056 1.734 0.192 0.758 1.000 0.667 CB 1.265 7 residues pruned to eliminate duplicates Z: 15 27.274 2.069 0.666 0.931 1.000 0.714 CB 1.478 15 residues pruned to eliminate duplicates Z: 16 35.315 2.372 0.605 0.922 1.000 1.000 CB 1.684 16 residues pruned to eliminate duplicates Z: 42 43.282 2.341 0.615 0.568 0.927 0.610 CB 1.806 42 residues pruned to eliminate duplicates Z: 90 79.698 2.393 0.581 0.726 0.966 0.753 CB 1.885 90 residues pruned to eliminate duplicates Z: 25 62.341 2.475 1.026 0.939 0.958 0.917 CB 1.841 25 residues pruned to eliminate duplicates Z: 57 45.624 2.248 0.551 0.681 0.893 0.679 CB 1.658 57 residues pruned to eliminate duplicates Z: 30 22.762 2.072 0.368 0.640 0.931 0.621 CB 1.405 30 residues pruned to eliminate duplicates Z: 7 6.504 1.781 -0.253 0.829 1.000 0.833 CB 1.503 7 residues pruned to eliminate duplicates Z: 27 64.855 2.403 0.990 0.928 1.000 0.846 CB 1.863 27 residues pruned to eliminate duplicates Z: 89 87.495 2.404 0.776 0.726 0.966 0.705 CB 1.846 89 residues pruned to eliminate duplicates Z: 17 36.043 2.499 0.304 0.938 1.000 1.000 CB 1.922 17 residues pruned to eliminate duplicates Z: 54 34.503 2.119 0.409 0.609 0.906 0.604 CB 1.581 54 residues pruned to eliminate duplicates Z: 14 14.480 2.011 0.137 0.673 0.923 0.769 CA 1.622 9 residues pruned to eliminate duplicates Z: 12 19.343 1.972 0.343 0.904 1.000 0.909 C 1.568 12 residues pruned to eliminate duplicates Z: 16 46.001 2.468 0.766 0.928 1.000 0.800 CB 1.909 16 residues pruned to eliminate duplicates Z: 29 22.010 2.103 0.228 0.638 0.964 0.679 CB 1.468 29 residues pruned to eliminate duplicates Z: 7 8.080 1.848 0.210 0.793 0.833 0.333 CA 1.369 7 residues pruned to eliminate duplicates Z: 16 37.560 2.378 0.666 0.926 1.000 0.933 CB 1.717 16 residues pruned to eliminate duplicates Z: 11 17.484 2.232 0.218 0.901 1.000 1.000 CB 1.452 11 residues pruned to eliminate duplicates Z: 24 38.723 2.401 0.826 0.684 0.957 0.696 CB 1.627 24 residues pruned to eliminate duplicates Z: 11 22.594 2.190 0.568 0.786 1.000 0.600 C 1.618 11 residues pruned to eliminate duplicates Z: 17 41.751 2.423 0.708 0.892 1.000 0.875 CB 1.812 17 residues pruned to eliminate duplicates Z: 19 34.281 2.326 0.422 0.927 1.000 0.944 CA 1.712 19 residues pruned to eliminate duplicates Z: 25 58.542 2.563 0.657 0.926 1.000 0.875 CB 1.973 25 residues pruned to eliminate duplicates Z: 42 44.202 2.343 0.614 0.605 0.927 0.634 CB 1.783 42 residues pruned to eliminate duplicates Z: 17 38.942 2.304 0.761 0.875 0.938 0.812 CB 1.862 17 residues pruned to eliminate duplicates Z: 8 6.597 1.556 0.241 0.807 1.000 0.857 CA 0.988 8 residues pruned to eliminate duplicates Z: 18 54.300 2.468 0.911 0.916 1.000 0.941 CB 1.971 18 residues pruned to eliminate duplicates Z: 17 45.700 2.360 1.026 0.910 1.000 0.938 CB 1.694 17 residues pruned to eliminate duplicates Z: 144 110.052 2.464 0.733 0.741 0.958 0.755 CB 1.813 144 residues pruned to eliminate duplicates Z: 27 40.212 2.261 0.933 0.640 0.923 0.769 CB 1.714 27 residues pruned to eliminate duplicates Z: 26 16.084 2.153 0.196 0.504 0.760 0.480 CA 1.638 26 residues pruned to eliminate duplicates Z: 6 7.022 1.980 0.090 0.794 0.800 0.600 CA 1.406 6 residues pruned to eliminate duplicates Z: 67 66.781 2.406 0.683 0.690 0.955 0.727 CB 1.787 67 residues pruned to eliminate duplicates Z: 17 25.150 2.047 0.610 0.618 1.000 0.750 CA 1.707 17 residues pruned to eliminate duplicates Z: 11 20.858 2.139 0.400 0.912 1.000 0.700 CB 1.560 11 residues pruned to eliminate duplicates Z: 96 82.695 2.367 0.702 0.724 0.958 0.737 CB 1.796 96 residues pruned to eliminate duplicates Z: 7 10.004 1.888 0.293 0.810 1.000 0.500 CB 1.277 7 residues pruned to eliminate duplicates Z: 18 40.907 2.365 0.537 0.925 1.000 0.941 CA 1.914 18 residues pruned to eliminate duplicates Z: 18 29.617 2.294 0.360 0.867 1.000 0.882 CB 1.685 18 residues pruned to eliminate duplicates Z: 16 17.481 2.071 0.501 0.495 1.000 0.533 CB 1.460 16 residues pruned to eliminate duplicates Z: 7 8.209 1.869 0.376 0.716 0.833 0.500 CB 1.286 7 residues pruned to eliminate duplicates Z: 80 70.813 2.366 0.680 0.703 0.975 0.835 CB 1.708 80 residues pruned to eliminate duplicates Z: 17 33.546 2.321 0.463 0.916 1.000 1.000 CB 1.744 17 residues pruned to eliminate duplicates Z: 34 58.802 2.399 0.865 0.783 0.970 0.818 CB 1.839 34 residues pruned to eliminate duplicates Z: 7 5.728 1.568 0.132 0.689 0.833 0.667 O 1.329 7 residues pruned to eliminate duplicates Z: 98 84.143 2.395 0.694 0.710 0.959 0.680 CB 1.814 111 residues pruned to eliminate duplicates Z: 27 65.729 2.337 1.146 0.927 0.962 0.731 CB 1.873 27 residues pruned to eliminate duplicates Z: 43 41.733 2.287 0.612 0.585 0.952 0.619 CB 1.690 43 residues pruned to eliminate duplicates Z: 6 8.731 2.008 0.181 0.861 1.000 0.800 CB 1.210 6 residues pruned to eliminate duplicates Z: 15 33.884 2.389 0.540 0.910 1.000 1.000 CB 1.745 15 residues pruned to eliminate duplicates Z: 17 36.977 2.402 0.491 0.895 1.000 0.875 CA 1.851 17 residues pruned to eliminate duplicates Z: 9 7.423 1.768 0.385 0.538 0.750 0.500 CB 1.376 9 residues pruned to eliminate duplicates Z: 17 38.817 2.314 1.012 0.701 0.938 0.562 CB 1.852 17 residues pruned to eliminate duplicates Z: 7 9.555 1.981 0.201 0.873 1.000 0.833 CB 1.194 7 residues pruned to eliminate duplicates Z: 76 62.376 2.357 0.635 0.647 0.933 0.667 CB 1.745 76 residues pruned to eliminate duplicates Z: 17 40.831 2.330 0.818 0.926 1.000 0.938 CB 1.690 17 residues pruned to eliminate duplicates Z: 13 19.475 2.059 0.583 0.809 1.000 0.833 CB 1.318 13 residues pruned to eliminate duplicates Z: 24 34.235 2.396 0.510 0.722 0.913 0.652 CB 1.767 24 residues pruned to eliminate duplicates Z: 98 91.551 2.398 0.779 0.729 0.948 0.711 CB 1.870 98 residues pruned to eliminate duplicates Z: 68 65.418 2.329 0.797 0.709 0.955 0.806 CB 1.653 68 residues pruned to eliminate duplicates Z: 12 23.709 2.183 0.370 0.865 1.000 0.818 CB 1.751 12 residues pruned to eliminate duplicates Z: 61 51.151 2.212 0.708 0.638 0.933 0.550 CB 1.646 61 residues pruned to eliminate duplicates Z: 12 20.321 1.995 0.574 0.819 0.909 0.636 C 1.627 12 residues pruned to eliminate duplicates Z: 15 18.544 2.247 0.400 0.578 0.857 0.714 CB 1.706 15 residues pruned to eliminate duplicates Z: 7 10.966 1.923 0.487 0.743 1.000 0.500 CB 1.260 7 residues pruned to eliminate duplicates Z: 64 75.363 2.421 0.723 0.728 1.000 0.714 CB 1.854 64 residues pruned to eliminate duplicates Z: 29 27.185 2.064 0.624 0.626 0.857 0.607 CB 1.589 29 residues pruned to eliminate duplicates Z: 82 73.729 2.398 0.733 0.665 0.951 0.667 CB 1.779 82 residues pruned to eliminate duplicates Z: 18 37.887 2.312 0.450 0.919 1.000 0.824 CA 1.931 18 residues pruned to eliminate duplicates Z: 15 27.521 1.986 0.767 0.941 1.000 0.643 CB 1.455 15 residues pruned to eliminate duplicates Z: 27 73.924 2.492 1.148 0.922 0.962 0.885 CB 1.982 27 residues pruned to eliminate duplicates Z: 10 27.721 2.312 0.692 0.864 1.000 0.556 CB 1.732 10 residues pruned to eliminate duplicates Z: 11 15.401 1.966 0.197 0.878 1.000 0.800 CA 1.503 11 residues pruned to eliminate duplicates Z: 20 34.722 2.381 0.531 0.790 1.000 0.684 CB 1.694 20 residues pruned to eliminate duplicates Z: 12 15.336 2.088 0.363 0.858 1.000 0.818 CB 1.196 12 residues pruned to eliminate duplicates Z: 111 90.223 2.419 0.797 0.719 0.936 0.755 CB 1.735 111 residues pruned to eliminate duplicates Z: 11 19.497 2.234 0.452 0.872 1.000 0.700 CB 1.386 11 residues pruned to eliminate duplicates Z: 97 85.877 2.432 0.711 0.701 0.948 0.740 CB 1.851 97 residues pruned to eliminate duplicates Z: 8 5.329 2.064 0.414 0.158 0.857 0.429 CB 1.224 8 residues pruned to eliminate duplicates Z: 16 25.679 2.292 0.415 0.889 1.000 0.933 CB 1.472 16 residues pruned to eliminate duplicates Z: 27 68.604 2.459 1.084 0.898 0.962 0.692 CB 1.954 27 residues pruned to eliminate duplicates Z: 10 18.864 1.985 0.835 0.902 0.889 0.667 CB 1.385 10 residues pruned to eliminate duplicates Z: 11 16.495 2.142 0.117 0.906 1.000 0.800 C 1.550 11 residues pruned to eliminate duplicates Z: 62 76.702 2.477 0.815 0.735 0.967 0.787 CB 1.829 62 residues pruned to eliminate duplicates Z: 8 8.014 1.630 0.126 0.805 1.000 0.857 CA 1.264 8 residues pruned to eliminate duplicates Z: 8 3.132 1.170 0.741 0.462 0.857 0.571 C 0.704 Z: 15 14.327 2.035 0.274 0.620 0.857 0.643 CA 1.539 Z: 89 77.894 2.387 0.746 0.730 0.955 0.750 CB 1.698 89 residues pruned to eliminate duplicates Z: 128 111.380 2.434 0.897 0.708 0.961 0.756 CB 1.844 128 residues pruned to eliminate duplicates Z: 17 36.189 2.328 1.015 0.690 0.938 0.750 C 1.729 17 residues pruned to eliminate duplicates Z: 36 31.169 2.280 0.419 0.611 0.914 0.657 CB 1.603 36 residues pruned to eliminate duplicates Z: 180 131.678 2.463 0.790 0.746 0.955 0.754 CB 1.876 327 residues pruned to eliminate duplicates Z: 73 68.753 2.349 0.771 0.659 0.931 0.611 CB 1.805 73 residues pruned to eliminate duplicates Z: 30 47.972 2.417 0.830 0.634 0.966 0.793 CB 1.840 30 residues pruned to eliminate duplicates Z: 17 40.194 2.415 0.617 0.914 1.000 1.000 CA 1.820 17 residues pruned to eliminate duplicates Z: 93 79.746 2.367 0.623 0.735 0.967 0.717 CB 1.811 93 residues pruned to eliminate duplicates Z: 14 28.575 2.380 0.462 0.885 1.000 1.000 CB 1.645 Z: 89 57.516 2.264 0.564 0.633 0.875 0.682 CB 1.746 89 residues pruned to eliminate duplicates Z: 9 8.327 1.889 0.597 0.746 1.000 0.750 CB 0.784 9 residues pruned to eliminate duplicates Z: 11 17.889 2.170 0.345 0.915 1.000 0.700 CB 1.370 11 residues pruned to eliminate duplicates Z: 42 47.039 2.361 0.580 0.689 0.951 0.683 CB 1.741 42 residues pruned to eliminate duplicates Z: 42 35.339 2.226 0.444 0.616 0.951 0.634 CB 1.618 42 residues pruned to eliminate duplicates Z: 127 98.827 2.436 0.735 0.699 0.968 0.730 CB 1.793 141 residues pruned to eliminate duplicates Z: 70 58.405 2.290 0.782 0.569 0.942 0.594 CB 1.711 Z: 28 40.847 2.297 0.728 0.699 0.926 0.741 CB 1.784 28 residues pruned to eliminate duplicates Z: 27 38.331 2.244 0.846 0.619 0.962 0.615 CB 1.686 27 residues pruned to eliminate duplicates Z: 18 33.514 2.319 0.596 0.885 0.941 0.824 CB 1.684 Z: 87 78.121 2.382 0.645 0.741 0.977 0.756 CB 1.774 105 residues pruned to eliminate duplicates Z: 35 49.246 2.315 0.619 0.756 0.941 0.853 CB 1.906 35 residues pruned to eliminate duplicates Z: 20 40.881 2.495 0.585 0.823 1.000 0.737 CB 1.793 20 residues pruned to eliminate duplicates Z: 6 10.269 1.862 0.471 0.804 1.000 0.800 CA 1.287 6 residues pruned to eliminate duplicates Z: 39 59.512 2.347 0.710 0.826 0.974 0.816 CB 1.863 39 residues pruned to eliminate duplicates Z: 11 15.063 1.878 0.422 0.847 1.000 1.000 CB 1.324 11 residues pruned to eliminate duplicates Z: 134 102.183 2.416 0.775 0.703 0.947 0.699 CB 1.813 134 residues pruned to eliminate duplicates Z: 23 27.635 2.174 0.654 0.493 1.000 0.545 CB 1.650 23 residues pruned to eliminate duplicates Z: 17 34.002 2.457 0.643 0.656 0.875 0.812 CA 2.082 17 residues pruned to eliminate duplicates Z: 8 6.269 1.962 0.144 0.496 0.714 0.714 C 1.485 8 residues pruned to eliminate duplicates Z: 27 42.580 2.279 1.067 0.706 0.846 0.654 CB 1.738 27 residues pruned to eliminate duplicates Z: 6 3.398 1.697 0.303 0.420 0.600 0.600 CA 1.246 Z: 11 19.460 2.133 0.580 0.848 0.900 0.800 CA 1.505 11 residues pruned to eliminate duplicates Z: 22 29.955 2.277 0.914 0.625 0.952 0.762 CB 1.399 8 residues pruned to eliminate duplicates Z: 8 9.125 1.934 0.375 0.631 0.857 0.857 C 1.337 8 residues pruned to eliminate duplicates Z: 6 2.714 1.277 0.186 0.490 1.000 0.600 C 0.809 Z: 18 44.788 2.392 0.890 0.875 1.000 0.882 CB 1.747 18 residues pruned to eliminate duplicates Z: 15 38.270 2.431 0.691 0.917 1.000 0.857 CB 1.755 15 residues pruned to eliminate duplicates Z: 14 34.155 2.337 0.547 0.930 1.000 0.923 CB 1.831 14 residues pruned to eliminate duplicates Z: 34 57.061 2.408 0.867 0.704 0.970 0.667 CB 1.892 34 residues pruned to eliminate duplicates Z: 17 38.476 2.384 0.611 0.888 1.000 0.875 CB 1.805 Z: 74 74.381 2.405 0.720 0.702 0.959 0.726 CB 1.825 74 residues pruned to eliminate duplicates Z: 32 37.635 2.421 0.551 0.625 0.903 0.774 CB 1.771 32 residues pruned to eliminate duplicates Z: 11 25.372 2.204 0.631 0.923 0.900 0.700 CB 1.742 11 residues pruned to eliminate duplicates Z: 9 15.107 1.880 0.589 0.723 1.000 0.500 CB 1.462 9 residues pruned to eliminate duplicates Z: 13 24.882 2.095 0.708 0.931 1.000 0.750 CB 1.404 13 residues pruned to eliminate duplicates Z: 17 45.614 2.289 1.182 0.931 1.000 0.938 CB 1.595 17 residues pruned to eliminate duplicates Z: 16 34.748 2.346 0.629 0.902 1.000 1.000 CB 1.675 7 residues pruned to eliminate duplicates Z: 18 18.966 2.150 0.639 0.507 0.765 0.412 CB 1.696 18 residues pruned to eliminate duplicates Z: 30 45.714 2.412 0.859 0.578 0.931 0.724 C 1.886 30 residues pruned to eliminate duplicates Z: 18 30.211 2.239 0.438 0.885 1.000 0.824 CB 1.644 18 residues pruned to eliminate duplicates Z: 34 37.628 2.214 0.667 0.630 0.939 0.545 CB 1.672 34 residues pruned to eliminate duplicates Z: 13 21.124 2.322 0.502 0.636 0.833 0.500 CA 1.847 13 residues pruned to eliminate duplicates Z: 35 34.534 2.273 0.556 0.566 0.941 0.559 CB 1.670 35 residues pruned to eliminate duplicates Z: 27 29.699 2.137 0.657 0.647 0.885 0.538 CB 1.621 27 residues pruned to eliminate duplicates Z: 97 82.912 2.395 0.772 0.698 0.969 0.656 CB 1.719 80 residues pruned to eliminate duplicates Z: 16 47.104 2.562 0.819 0.936 0.933 0.867 CB 1.946 16 residues pruned to eliminate duplicates Z: 17 52.151 2.502 0.887 0.936 1.000 0.688 CB 1.924 17 residues pruned to eliminate duplicates Z: 12 24.506 2.237 0.555 0.864 0.909 0.909 CB 1.713 12 residues pruned to eliminate duplicates Z: 7 3.320 1.483 0.305 0.456 0.833 0.500 CB 0.880 Z: 12 21.988 2.222 0.528 0.749 0.909 0.909 CB 1.720 12 residues pruned to eliminate duplicates Z: 8 6.690 1.661 0.016 0.833 0.857 0.714 C 1.311 Z: 57 51.731 2.223 0.663 0.629 0.946 0.589 CB 1.750 53 residues pruned to eliminate duplicates Z: 56 57.597 2.362 0.649 0.660 0.964 0.655 CB 1.785 187 residues pruned to eliminate duplicates Z: 41 43.785 2.281 0.616 0.604 0.975 0.650 CB 1.744 Z: 6 17.462 2.206 0.731 0.847 1.000 0.800 CB 1.518 6 residues pruned to eliminate duplicates Z: 30 42.418 2.358 0.651 0.665 0.931 0.724 CB 1.865 30 residues pruned to eliminate duplicates Z: 85 82.568 2.415 0.797 0.718 0.952 0.738 CB 1.788 85 residues pruned to eliminate duplicates Z: 105 87.052 2.429 0.531 0.752 0.981 0.817 CB 1.868 105 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 58 47.247 2.266 0.476 0.665 0.947 0.632 CB 1.694 58 residues pruned to eliminate duplicates Z: 10 7.811 1.668 0.518 0.462 0.889 0.667 CA 1.202 10 residues pruned to eliminate duplicates Z: 57 46.566 2.268 0.472 0.666 0.946 0.607 CB 1.688 57 residues pruned to eliminate duplicates Z: 184 113.398 2.389 0.658 0.720 0.951 0.683 CB 1.825 184 residues pruned to eliminate duplicates Z: 46 28.366 2.185 0.257 0.562 0.956 0.578 CB 1.517 46 residues pruned to eliminate duplicates Z: 44 31.386 2.136 0.373 0.591 0.977 0.581 CB 1.531 44 residues pruned to eliminate duplicates Z: 59 44.225 2.245 0.416 0.666 0.931 0.655 CB 1.683 59 residues pruned to eliminate duplicates Z: 17 20.313 1.971 0.278 0.856 1.000 0.688 CB 1.486 17 residues pruned to eliminate duplicates Z: 43 32.102 2.202 0.353 0.608 0.952 0.595 CB 1.574 43 residues pruned to eliminate duplicates Z: 15 21.728 2.087 0.384 0.895 0.929 0.714 CB 1.553 15 residues pruned to eliminate duplicates Z: 59 51.268 2.251 0.556 0.675 0.948 0.603 CB 1.725 59 residues pruned to eliminate duplicates Z: 42 37.016 2.222 0.485 0.636 0.951 0.659 CB 1.621 42 residues pruned to eliminate duplicates Z: 57 52.603 2.286 0.594 0.666 0.964 0.625 CB 1.716 57 residues pruned to eliminate duplicates Z: 14 20.240 2.115 0.350 0.915 0.923 0.846 CB 1.505 14 residues pruned to eliminate duplicates Z: 43 34.637 2.200 0.524 0.607 0.929 0.548 CB 1.551 43 residues pruned to eliminate duplicates Z: 16 23.502 2.013 0.510 0.892 0.933 0.867 CB 1.537 16 residues pruned to eliminate duplicates Z: 30 27.052 2.101 0.498 0.645 0.966 0.552 CB 1.444 30 residues pruned to eliminate duplicates Z: 43 36.521 2.194 0.549 0.596 0.976 0.595 CB 1.549 43 residues pruned to eliminate duplicates Z: 14 24.730 2.112 0.505 0.930 1.000 0.846 CB 1.509 14 residues pruned to eliminate duplicates Z: 44 34.679 2.176 0.541 0.594 0.930 0.651 CB 1.550 44 residues pruned to eliminate duplicates Z: 55 44.540 2.161 0.717 0.604 0.907 0.574 CB 1.632 55 residues pruned to eliminate duplicates Z: 42 35.574 2.216 0.460 0.623 0.951 0.610 CB 1.607 42 residues pruned to eliminate duplicates Z: 43 34.297 2.176 0.503 0.615 0.929 0.548 CB 1.563 43 residues pruned to eliminate duplicates Z: 29 51.996 2.384 0.777 0.751 0.964 0.571 C 1.922 29 residues pruned to eliminate duplicates Z: 14 16.902 2.375 0.160 0.588 0.846 0.538 CB 1.848 14 residues pruned to eliminate duplicates Z: 43 34.200 2.215 0.462 0.607 0.929 0.595 CB 1.586 43 residues pruned to eliminate duplicates Z: 15 17.463 2.220 0.486 0.532 0.786 0.429 C 1.745 15 residues pruned to eliminate duplicates Z: 42 36.256 2.210 0.542 0.619 0.927 0.585 CB 1.603 42 residues pruned to eliminate duplicates Z: 42 34.799 2.199 0.413 0.614 0.976 0.561 CB 1.609 42 residues pruned to eliminate duplicates Z: 30 41.312 2.326 0.692 0.693 0.828 0.655 C 1.974 30 residues pruned to eliminate duplicates Z: 43 36.837 2.212 0.524 0.608 0.929 0.571 CB 1.639 43 residues pruned to eliminate duplicates Z: 40 29.141 2.154 0.518 0.503 0.923 0.462 CB 1.541 40 residues pruned to eliminate duplicates Z: 11 20.284 2.163 0.454 0.680 1.000 0.400 C 1.728 11 residues pruned to eliminate duplicates Z: 109 79.518 2.334 0.689 0.677 0.944 0.694 CB 1.746 109 residues pruned to eliminate duplicates Z: 55 48.016 2.250 0.628 0.626 0.944 0.611 CB 1.677 55 residues pruned to eliminate duplicates Z: 18 51.784 2.385 1.076 0.877 0.941 0.706 CA 1.957 18 residues pruned to eliminate duplicates Z: 19 35.217 2.278 0.699 0.776 0.944 0.778 CB 1.781 19 residues pruned to eliminate duplicates Z: 57 50.434 2.282 0.534 0.662 0.964 0.679 CB 1.719 57 residues pruned to eliminate duplicates Z: 56 54.239 2.307 0.595 0.690 0.964 0.600 CB 1.734 56 residues pruned to eliminate duplicates Z: 113 90.906 2.409 0.663 0.690 0.955 0.705 CB 1.887 113 residues pruned to eliminate duplicates Z: 19 33.476 2.315 0.590 0.775 0.944 0.833 CA 1.781 19 residues pruned to eliminate duplicates Z: 15 43.009 2.523 0.624 0.936 1.000 1.000 CA 1.953 15 residues pruned to eliminate duplicates Z: 20 35.752 2.307 0.714 0.728 0.947 0.789 CB 1.783 20 residues pruned to eliminate duplicates Z: 59 50.838 2.265 0.535 0.657 0.948 0.638 CB 1.749 59 residues pruned to eliminate duplicates Z: 31 43.773 2.353 0.702 0.671 0.933 0.700 CB 1.825 31 residues pruned to eliminate duplicates Z: 17 45.415 2.394 0.928 0.865 0.938 0.875 CA 1.923 17 residues pruned to eliminate duplicates Z: 72 79.508 2.442 0.719 0.746 0.958 0.718 CB 1.883 72 residues pruned to eliminate duplicates Z: 184 115.067 2.396 0.630 0.720 0.978 0.749 CB 1.826 184 residues pruned to eliminate duplicates Z: 108 84.057 2.363 0.660 0.697 0.963 0.673 CB 1.799 108 residues pruned to eliminate duplicates Z: 7 11.547 1.699 0.508 0.767 1.000 0.500 C 1.453 7 residues pruned to eliminate duplicates Z: 71 82.880 2.479 0.728 0.738 0.986 0.786 CB 1.895 71 residues pruned to eliminate duplicates Z: 146 100.487 2.390 0.658 0.699 0.972 0.738 CB 1.806 146 residues pruned to eliminate duplicates Z: 142 104.220 2.405 0.709 0.701 0.972 0.709 CB 1.831 142 residues pruned to eliminate duplicates Z: 6 5.383 1.799 0.661 0.310 0.800 0.400 CB 1.243 6 residues pruned to eliminate duplicates Z: 92 100.613 2.455 0.818 0.750 0.989 0.747 CB 1.913 92 residues pruned to eliminate duplicates Z: 87 76.954 2.387 0.692 0.689 0.942 0.674 CB 1.835 87 residues pruned to eliminate duplicates Z: 146 99.260 2.386 0.651 0.691 0.972 0.710 CB 1.806 146 residues pruned to eliminate duplicates Z: 144 110.518 2.447 0.686 0.742 0.965 0.741 CB 1.868 144 residues pruned to eliminate duplicates Z: 142 113.065 2.461 0.656 0.757 0.972 0.787 CB 1.914 142 residues pruned to eliminate duplicates Z: 102 93.847 2.457 0.712 0.729 0.960 0.743 CB 1.882 102 residues pruned to eliminate duplicates Z: 133 111.631 2.466 0.731 0.756 0.962 0.735 CB 1.883 133 residues pruned to eliminate duplicates Z: 108 84.927 2.370 0.667 0.699 0.953 0.682 CB 1.818 108 residues pruned to eliminate duplicates Z: 52 70.632 2.442 0.793 0.714 0.961 0.765 CB 1.936 52 residues pruned to eliminate duplicates Z: 55 59.851 2.387 0.682 0.682 0.926 0.722 CB 1.854 55 residues pruned to eliminate duplicates Z: 96 81.099 2.357 0.761 0.678 0.958 0.653 CB 1.777 96 residues pruned to eliminate duplicates Z: 137 111.668 2.446 0.791 0.726 0.941 0.699 CB 1.893 137 residues pruned to eliminate duplicates Z: 150 100.831 2.376 0.696 0.684 0.960 0.725 CB 1.805 150 residues pruned to eliminate duplicates Z: 58 66.529 2.438 0.776 0.677 0.930 0.667 CB 1.860 58 residues pruned to eliminate duplicates Z: 79 71.353 2.397 0.681 0.688 0.910 0.641 CB 1.853 79 residues pruned to eliminate duplicates Z: 151 110.188 2.436 0.677 0.727 0.947 0.773 CB 1.897 151 residues pruned to eliminate duplicates Z: 78 83.916 2.465 0.691 0.739 0.974 0.792 CB 1.902 78 residues pruned to eliminate duplicates Z: 101 97.389 2.459 0.767 0.727 0.970 0.760 CB 1.882 101 residues pruned to eliminate duplicates Z: 143 117.938 2.453 0.761 0.744 0.979 0.768 CB 1.882 143 residues pruned to eliminate duplicates Z: 142 115.183 2.465 0.690 0.759 0.972 0.801 CB 1.904 142 residues pruned to eliminate duplicates Z: 65 81.421 2.422 0.858 0.758 0.969 0.719 CB 1.857 65 residues pruned to eliminate duplicates Z: 108 85.128 2.366 0.693 0.686 0.953 0.682 CB 1.817 108 residues pruned to eliminate duplicates Z: 17 38.481 2.439 0.514 0.888 1.000 0.812 CA 1.877 17 residues pruned to eliminate duplicates Z: 50 66.720 2.455 0.757 0.732 0.959 0.857 CB 1.870 50 residues pruned to eliminate duplicates Z: 75 78.779 2.409 0.762 0.716 0.946 0.811 CB 1.876 75 residues pruned to eliminate duplicates Z: 184 117.348 2.393 0.699 0.717 0.967 0.716 CB 1.813 184 residues pruned to eliminate duplicates Z: 16 37.005 2.498 0.362 0.908 1.000 0.867 CA 1.994 16 residues pruned to eliminate duplicates Z: 103 93.745 2.462 0.697 0.723 0.951 0.735 CB 1.910 103 residues pruned to eliminate duplicates Z: 183 119.813 2.401 0.707 0.717 0.973 0.736 CB 1.830 183 residues pruned to eliminate duplicates Z: 67 79.006 2.394 0.881 0.728 0.955 0.758 CB 1.843 67 residues pruned to eliminate duplicates Z: 7 16.067 2.150 0.854 0.751 0.833 0.667 N 1.579 7 residues pruned to eliminate duplicates Z: 94 84.639 2.419 0.629 0.723 0.978 0.667 CB 1.863 94 residues pruned to eliminate duplicates Z: 92 83.402 2.440 0.625 0.733 0.956 0.769 CB 1.871 92 residues pruned to eliminate duplicates Z: 97 77.093 2.364 0.599 0.715 0.948 0.719 CB 1.808 97 residues pruned to eliminate duplicates Z: 43 58.124 2.366 0.752 0.707 1.000 0.643 CB 1.792 43 residues pruned to eliminate duplicates Z: 22 22.468 2.187 0.565 0.480 0.905 0.381 CB 1.615 22 residues pruned to eliminate duplicates Z: 94 83.733 2.425 0.602 0.734 0.957 0.667 CB 1.893 94 residues pruned to eliminate duplicates Z: 107 103.647 2.480 0.756 0.709 0.991 0.689 CB 1.930 107 residues pruned to eliminate duplicates Z: 145 95.698 2.360 0.686 0.675 0.958 0.736 CB 1.779 145 residues pruned to eliminate duplicates Z: 47 57.575 2.392 0.707 0.693 0.957 0.674 CB 1.822 47 residues pruned to eliminate duplicates Z: 134 99.221 2.399 0.687 0.699 0.955 0.744 CB 1.856 134 residues pruned to eliminate duplicates Z: 88 90.085 2.425 0.763 0.748 0.966 0.713 CB 1.874 88 residues pruned to eliminate duplicates Z: 60 61.876 2.384 0.696 0.681 0.932 0.729 CB 1.810 60 residues pruned to eliminate duplicates Z: 53 64.189 2.413 0.673 0.690 1.000 0.673 CB 1.853 53 residues pruned to eliminate duplicates Z: 162 100.793 2.375 0.657 0.684 0.950 0.696 CB 1.793 162 residues pruned to eliminate duplicates Z: 94 88.159 2.432 0.644 0.743 0.978 0.763 CB 1.880 94 residues pruned to eliminate duplicates Z: 95 86.872 2.402 0.653 0.738 0.979 0.766 CB 1.862 95 residues pruned to eliminate duplicates Z: 119 98.587 2.432 0.672 0.713 0.983 0.746 CB 1.873 119 residues pruned to eliminate duplicates Z: 89 76.469 2.377 0.629 0.725 0.955 0.761 CB 1.800 89 residues pruned to eliminate duplicates Z: 92 93.486 2.449 0.732 0.746 0.978 0.747 CB 1.896 92 residues pruned to eliminate duplicates Z: 42 59.549 2.391 0.774 0.729 0.976 0.707 CB 1.828 42 residues pruned to eliminate duplicates Z: 93 77.142 2.363 0.574 0.712 0.957 0.728 CB 1.866 93 residues pruned to eliminate duplicates Z: 24 52.856 2.504 0.785 0.777 0.957 0.739 CB 2.020 24 residues pruned to eliminate duplicates Z: 96 81.165 2.404 0.586 0.715 0.958 0.716 CB 1.877 96 residues pruned to eliminate duplicates Z: 53 68.409 2.412 0.792 0.695 1.000 0.654 CB 1.837 53 residues pruned to eliminate duplicates Z: 183 118.406 2.404 0.686 0.721 0.967 0.725 CB 1.835 183 residues pruned to eliminate duplicates Z: 127 105.342 2.450 0.709 0.737 0.960 0.778 CB 1.886 127 residues pruned to eliminate duplicates Z: 94 85.537 2.430 0.667 0.733 0.957 0.731 CB 1.856 94 residues pruned to eliminate duplicates Z: 37 54.603 2.329 0.800 0.701 0.944 0.611 CB 1.914 37 residues pruned to eliminate duplicates Z: 34 59.386 2.454 0.796 0.709 1.000 0.727 CB 1.940 34 residues pruned to eliminate duplicates Z: 57 67.212 2.405 0.689 0.709 0.982 0.679 CB 1.862 57 residues pruned to eliminate duplicates Z: 46 63.071 2.421 0.741 0.709 0.978 0.733 CB 1.888 46 residues pruned to eliminate duplicates Z: 125 90.887 2.384 0.652 0.711 0.952 0.718 CB 1.798 125 residues pruned to eliminate duplicates Z: 89 84.628 2.415 0.658 0.744 0.966 0.784 CB 1.875 89 residues pruned to eliminate duplicates Z: 94 86.155 2.423 0.698 0.740 0.935 0.742 CB 1.872 94 residues pruned to eliminate duplicates Z: 92 88.720 2.443 0.740 0.701 0.956 0.714 CB 1.905 92 residues pruned to eliminate duplicates Z: 156 115.727 2.442 0.688 0.732 0.974 0.729 CB 1.879 156 residues pruned to eliminate duplicates Z: 57 69.129 2.409 0.701 0.716 1.000 0.661 CB 1.855 57 residues pruned to eliminate duplicates Z: 57 67.623 2.398 0.673 0.714 1.000 0.750 CB 1.855 57 residues pruned to eliminate duplicates Z: 54 64.140 2.434 0.612 0.759 0.962 0.830 CB 1.854 54 residues pruned to eliminate duplicates Z: 128 96.078 2.403 0.660 0.722 0.953 0.717 CB 1.836 128 residues pruned to eliminate duplicates Z: 58 63.991 2.367 0.720 0.689 0.965 0.772 CB 1.814 58 residues pruned to eliminate duplicates Z: 46 60.342 2.429 0.687 0.699 0.978 0.644 CB 1.873 46 residues pruned to eliminate duplicates Z: 143 116.482 2.448 0.713 0.759 0.986 0.725 CB 1.878 143 residues pruned to eliminate duplicates Z: 35 56.924 2.476 0.737 0.712 0.971 0.735 CB 1.929 35 residues pruned to eliminate duplicates Z: 130 103.044 2.429 0.685 0.715 0.977 0.721 CB 1.867 130 residues pruned to eliminate duplicates Z: 89 79.678 2.406 0.584 0.724 0.966 0.648 CB 1.886 89 residues pruned to eliminate duplicates Z: 93 78.372 2.371 0.601 0.714 0.967 0.696 CB 1.833 93 residues pruned to eliminate duplicates Z: 93 80.713 2.410 0.608 0.719 0.967 0.707 CB 1.840 93 residues pruned to eliminate duplicates Z: 92 87.360 2.435 0.756 0.699 0.967 0.736 CB 1.847 92 residues pruned to eliminate duplicates Z: 88 79.468 2.401 0.592 0.740 0.966 0.701 CB 1.863 88 residues pruned to eliminate duplicates Z: 52 56.168 2.355 0.640 0.690 0.961 0.667 CB 1.782 52 residues pruned to eliminate duplicates Z: 88 80.363 2.415 0.622 0.734 0.966 0.747 CB 1.846 88 residues pruned to eliminate duplicates Z: 93 78.272 2.369 0.635 0.711 0.967 0.717 CB 1.798 93 residues pruned to eliminate duplicates Z: 76 76.781 2.451 0.641 0.728 0.960 0.747 CB 1.870 76 residues pruned to eliminate duplicates Z: 94 84.354 2.402 0.692 0.737 0.968 0.720 CB 1.799 94 residues pruned to eliminate duplicates Z: 171 108.618 2.399 0.665 0.717 0.953 0.759 CB 1.799 171 residues pruned to eliminate duplicates Z: 41 47.862 2.311 0.488 0.727 0.975 0.750 CB 1.841 41 residues pruned to eliminate duplicates Z: 63 73.774 2.450 0.717 0.767 0.952 0.774 CB 1.847 63 residues pruned to eliminate duplicates Z: 94 78.943 2.353 0.633 0.715 0.978 0.731 CB 1.793 94 residues pruned to eliminate duplicates Z: 156 97.990 2.372 0.671 0.674 0.935 0.723 CB 1.808 156 residues pruned to eliminate duplicates Z: 30 52.797 2.441 0.750 0.774 0.966 0.759 CB 1.867 30 residues pruned to eliminate duplicates Z: 95 82.949 2.408 0.631 0.723 0.979 0.734 CB 1.820 95 residues pruned to eliminate duplicates Z: 92 74.026 2.352 0.593 0.704 0.934 0.659 CB 1.841 92 residues pruned to eliminate duplicates Z: 72 80.703 2.434 0.724 0.759 0.972 0.789 CB 1.866 72 residues pruned to eliminate duplicates Z: 28 67.076 2.504 1.108 0.842 0.926 0.778 CB 1.969 28 residues pruned to eliminate duplicates Z: 184 120.923 2.398 0.709 0.724 0.984 0.705 CB 1.812 184 residues pruned to eliminate duplicates Z: 27 57.440 2.442 0.828 0.913 0.962 0.923 CB 1.857 27 residues pruned to eliminate duplicates Z: 94 93.928 2.423 0.791 0.737 0.978 0.731 CB 1.855 94 residues pruned to eliminate duplicates Z: 130 106.908 2.428 0.774 0.723 0.961 0.698 CB 1.860 130 residues pruned to eliminate duplicates Z: 95 90.308 2.409 0.734 0.743 0.989 0.723 CB 1.813 95 residues pruned to eliminate duplicates Z: 97 85.622 2.381 0.738 0.711 0.969 0.708 CB 1.800 97 residues pruned to eliminate duplicates Z: 44 59.177 2.293 0.898 0.718 0.930 0.651 CB 1.830 44 residues pruned to eliminate duplicates Z: 95 90.222 2.402 0.763 0.736 0.968 0.713 CB 1.837 95 residues pruned to eliminate duplicates Z: 183 114.305 2.349 0.745 0.714 0.951 0.681 CB 1.790 183 residues pruned to eliminate duplicates Z: 40 64.109 2.347 0.895 0.789 0.974 0.667 CB 1.837 40 residues pruned to eliminate duplicates Z: 93 91.477 2.429 0.733 0.738 0.989 0.707 CB 1.850 93 residues pruned to eliminate duplicates Z: 94 94.489 2.413 0.817 0.738 0.978 0.699 CB 1.844 94 residues pruned to eliminate duplicates Z: 90 84.862 2.386 0.742 0.729 0.955 0.708 CB 1.844 90 residues pruned to eliminate duplicates Z: 89 90.773 2.398 0.812 0.734 0.977 0.705 CB 1.846 89 residues pruned to eliminate duplicates Z: 89 83.243 2.383 0.734 0.743 0.943 0.761 CB 1.831 89 residues pruned to eliminate duplicates Z: 141 115.668 2.454 0.759 0.754 0.979 0.764 CB 1.846 141 residues pruned to eliminate duplicates Z: 94 89.286 2.411 0.771 0.743 0.957 0.613 CB 1.823 94 residues pruned to eliminate duplicates Z: 95 88.333 2.388 0.743 0.741 0.968 0.723 CB 1.822 95 residues pruned to eliminate duplicates Z: 76 85.261 2.417 0.807 0.738 0.987 0.733 CB 1.845 76 residues pruned to eliminate duplicates Z: 94 92.841 2.410 0.793 0.746 0.978 0.720 CB 1.827 94 residues pruned to eliminate duplicates Z: 12 14.063 2.070 0.150 0.744 0.909 0.727 C 1.575 7 residues pruned to eliminate duplicates Z: 7 11.013 1.834 0.121 0.863 1.000 0.667 C 1.604 7 residues pruned to eliminate duplicates Z: 6 10.886 1.986 0.096 0.851 1.000 0.600 CA 1.656 6 residues pruned to eliminate duplicates Z: 91 78.487 2.347 0.714 0.706 0.956 0.678 CB 1.785 91 residues pruned to eliminate duplicates Z: 58 57.115 2.380 0.674 0.643 0.947 0.614 CB 1.754 41 residues pruned to eliminate duplicates Z: 6 7.459 1.973 0.811 0.284 0.800 0.200 CB 1.489 7 residues pruned to eliminate duplicates Z: 7 5.985 1.883 0.378 0.351 0.833 0.500 CB 1.328 7 residues pruned to eliminate duplicates Z: 147 101.306 2.421 0.668 0.699 0.966 0.747 CB 1.793 147 residues pruned to eliminate duplicates Z: 41 41.555 2.354 0.565 0.620 0.900 0.625 CB 1.769 41 residues pruned to eliminate duplicates Z: 30 30.269 2.242 0.468 0.626 0.897 0.724 CB 1.691 30 residues pruned to eliminate duplicates Z: 42 37.349 2.263 0.549 0.570 0.878 0.610 CB 1.771 42 residues pruned to eliminate duplicates Z: 58 55.279 2.378 0.525 0.652 0.965 0.684 CB 1.817 57 residues pruned to eliminate duplicates Z: 6 11.188 1.926 0.617 0.775 1.000 0.800 CA 1.260 6 residues pruned to eliminate duplicates Z: 182 105.297 2.403 0.634 0.696 0.945 0.707 CB 1.765 182 residues pruned to eliminate duplicates Z: 59 55.802 2.390 0.595 0.645 0.931 0.621 CB 1.803 59 residues pruned to eliminate duplicates Z: 58 55.593 2.403 0.541 0.675 0.947 0.667 CB 1.787 58 residues pruned to eliminate duplicates Z: 29 35.685 2.275 0.569 0.614 0.964 0.679 CB 1.759 29 residues pruned to eliminate duplicates Z: 59 55.375 2.384 0.608 0.659 0.931 0.638 CB 1.757 58 residues pruned to eliminate duplicates Z: 14 34.600 2.333 0.568 0.941 1.000 0.846 CB 1.820 14 residues pruned to eliminate duplicates Z: 173 113.552 2.444 0.733 0.705 0.936 0.698 CB 1.813 173 residues pruned to eliminate duplicates Z: 38 38.566 2.326 0.677 0.571 0.919 0.703 CB 1.652 38 residues pruned to eliminate duplicates Z: 41 42.775 2.309 0.707 0.585 0.900 0.550 CB 1.758 41 residues pruned to eliminate duplicates Z: 32 34.469 2.225 0.652 0.597 0.903 0.581 CB 1.700 32 residues pruned to eliminate duplicates Z: 43 41.679 2.298 0.577 0.565 0.976 0.571 CB 1.707 43 residues pruned to eliminate duplicates Z: 30 37.702 2.250 0.692 0.617 0.966 0.586 CB 1.704 30 residues pruned to eliminate duplicates Z: 42 47.554 2.331 0.695 0.601 0.951 0.585 CB 1.794 42 residues pruned to eliminate duplicates Z: 30 37.254 2.250 0.618 0.637 0.966 0.690 CB 1.731 30 residues pruned to eliminate duplicates Z: 37 42.833 2.323 0.658 0.601 0.972 0.639 CB 1.732 37 residues pruned to eliminate duplicates Z: 43 43.192 2.317 0.617 0.604 0.929 0.524 CB 1.735 43 residues pruned to eliminate duplicates Z: 42 42.848 2.347 0.585 0.611 0.902 0.561 CB 1.793 42 residues pruned to eliminate duplicates Z: 37 39.136 2.340 0.550 0.567 0.972 0.528 CB 1.735 37 residues pruned to eliminate duplicates Z: 12 9.461 2.146 0.433 0.276 0.818 0.273 CB 1.460 12 residues pruned to eliminate duplicates Z: 58 56.914 2.381 0.632 0.658 0.930 0.561 CB 1.803 59 residues pruned to eliminate duplicates Z: 6 18.668 2.353 0.639 0.686 1.000 0.800 CA 1.826 6 residues pruned to eliminate duplicates Z: 42 45.785 2.361 0.571 0.590 0.976 0.585 CB 1.813 42 residues pruned to eliminate duplicates Z: 58 62.338 2.377 0.680 0.680 0.982 0.579 CB 1.783 58 residues pruned to eliminate duplicates Z: 10 17.222 2.296 0.530 0.688 0.778 0.444 CA 1.768 10 residues pruned to eliminate duplicates Z: 43 45.083 2.339 0.605 0.600 0.952 0.571 CB 1.769 43 residues pruned to eliminate duplicates Z: 58 54.041 2.406 0.461 0.673 0.965 0.649 CB 1.799 58 residues pruned to eliminate duplicates Z: 17 19.977 2.236 0.881 0.430 0.750 0.250 CA 1.702 17 residues pruned to eliminate duplicates Z: 17 17.890 2.130 0.552 0.425 0.812 0.375 CA 1.801 17 residues pruned to eliminate duplicates Z: 58 57.805 2.380 0.630 0.665 0.965 0.596 CB 1.756 58 residues pruned to eliminate duplicates Z: 58 59.796 2.392 0.637 0.649 0.965 0.614 CB 1.824 58 residues pruned to eliminate duplicates Z: 30 41.581 2.447 0.615 0.670 0.897 0.586 CB 1.863 30 residues pruned to eliminate duplicates Z: 58 58.177 2.403 0.578 0.656 0.965 0.632 CB 1.822 58 residues pruned to eliminate duplicates Z: 183 118.085 2.445 0.722 0.701 0.956 0.731 CB 1.811 185 residues pruned to eliminate duplicates Z: 17 37.057 2.427 0.645 0.886 1.000 0.750 CB 1.675 17 residues pruned to eliminate duplicates Z: 32 41.242 2.412 0.676 0.637 0.903 0.581 CB 1.785 32 residues pruned to eliminate duplicates Z: 68 76.969 2.424 0.797 0.760 0.970 0.821 CB 1.766 18 residues pruned to eliminate duplicates Z: 17 36.417 2.346 0.599 0.896 1.000 0.938 CA 1.739 17 residues pruned to eliminate duplicates Z: 18 38.986 2.479 0.572 0.816 1.000 0.941 CA 1.844 18 residues pruned to eliminate duplicates Z: 17 48.083 2.512 0.875 0.864 1.000 0.812 CB 1.871 17 residues pruned to eliminate duplicates Z: 18 36.405 2.429 0.579 0.882 1.000 0.882 CB 1.666 18 residues pruned to eliminate duplicates Z: 142 106.785 2.470 0.653 0.741 0.979 0.780 CB 1.814 253 residues pruned to eliminate duplicates Z: 16 39.860 2.514 0.645 0.931 1.000 0.933 CB 1.740 Z: 16 40.302 2.399 0.869 0.891 1.000 0.733 CB 1.669 16 residues pruned to eliminate duplicates Z: 16 35.320 2.498 0.632 0.860 1.000 0.800 CB 1.644 16 residues pruned to eliminate duplicates Z: 20 33.549 2.378 0.484 0.806 1.000 0.789 CB 1.670 20 residues pruned to eliminate duplicates Z: 19 35.407 2.197 1.093 0.815 0.944 0.667 CB 1.461 19 residues pruned to eliminate duplicates Z: 68 72.603 2.422 0.743 0.753 0.970 0.806 CB 1.729 16 residues pruned to eliminate duplicates Z: 21 41.540 2.278 1.095 0.810 1.000 0.850 CB 1.485 21 residues pruned to eliminate duplicates Z: 119 87.367 2.356 0.815 0.640 0.958 0.619 CB 1.723 68 residues pruned to eliminate duplicates Z: 18 39.877 2.322 1.021 0.914 1.000 0.824 CB 1.457 18 residues pruned to eliminate duplicates Z: 109 88.080 2.415 0.695 0.724 0.954 0.759 CB 1.773 228 residues pruned to eliminate duplicates Z: 122 85.430 2.407 0.628 0.692 0.950 0.702 CB 1.750 122 residues pruned to eliminate duplicates Z: 143 104.611 2.459 0.629 0.743 0.965 0.732 CB 1.828 143 residues pruned to eliminate duplicates Z: 147 99.115 2.418 0.676 0.688 0.952 0.644 CB 1.790 147 residues pruned to eliminate duplicates Z: 144 109.458 2.467 0.691 0.744 0.965 0.734 CB 1.828 143 residues pruned to eliminate duplicates Z: 18 44.581 2.319 1.078 0.933 1.000 0.824 CB 1.565 Z: 18 47.254 2.314 1.124 0.898 0.941 0.824 CB 1.772 18 residues pruned to eliminate duplicates Z: 18 44.994 2.275 1.046 0.895 0.941 0.882 C 1.785 18 residues pruned to eliminate duplicates Z: 76 62.014 2.325 0.686 0.711 0.920 0.733 CB 1.640 18 residues pruned to eliminate duplicates Z: 18 43.633 2.358 0.892 0.918 1.000 0.941 CB 1.674 18 residues pruned to eliminate duplicates Z: 106 87.271 2.437 0.634 0.733 0.971 0.752 CB 1.785 182 residues pruned to eliminate duplicates Z: 173 121.818 2.438 0.794 0.714 0.959 0.738 CB 1.823 156 residues pruned to eliminate duplicates Z: 18 47.797 2.327 1.125 0.935 1.000 0.824 CB 1.634 Z: 19 46.041 2.388 0.999 0.796 1.000 0.722 CB 1.754 18 residues pruned to eliminate duplicates Z: 34 62.722 2.410 0.891 0.861 1.000 0.818 CB 1.760 19 residues pruned to eliminate duplicates Z: 21 28.921 2.234 0.625 0.738 0.900 0.900 CB 1.599 21 residues pruned to eliminate duplicates Z: 112 87.846 2.423 0.701 0.698 0.964 0.685 CB 1.752 146 residues pruned to eliminate duplicates Z: 106 86.288 2.439 0.635 0.723 0.981 0.733 CB 1.761 106 residues pruned to eliminate duplicates Z: 108 82.183 2.396 0.665 0.688 0.953 0.729 CB 1.759 29 residues pruned to eliminate duplicates Z: 16 32.994 2.396 0.426 0.928 1.000 1.000 CB 1.746 16 residues pruned to eliminate duplicates Z: 155 104.414 2.425 0.699 0.696 0.948 0.675 CB 1.801 80 residues pruned to eliminate duplicates Z: 16 39.162 2.367 0.680 0.912 1.000 0.867 CB 1.801 16 residues pruned to eliminate duplicates Z: 109 88.250 2.429 0.725 0.711 0.963 0.769 CB 1.739 109 residues pruned to eliminate duplicates Z: 91 76.526 2.406 0.641 0.703 0.967 0.767 CB 1.757 91 residues pruned to eliminate duplicates Z: 150 96.793 2.383 0.686 0.680 0.953 0.705 CB 1.755 150 residues pruned to eliminate duplicates Z: 144 110.961 2.451 0.720 0.754 0.965 0.727 CB 1.819 144 residues pruned to eliminate duplicates Z: 95 80.431 2.381 0.702 0.689 0.926 0.755 CB 1.859 95 residues pruned to eliminate duplicates Z: 118 94.432 2.421 0.783 0.686 0.949 0.692 CB 1.798 118 residues pruned to eliminate duplicates Z: 142 114.028 2.484 0.751 0.755 0.972 0.816 CB 1.810 142 residues pruned to eliminate duplicates Z: 145 117.256 2.464 0.771 0.747 0.979 0.799 CB 1.834 144 residues pruned to eliminate duplicates Z: 6 12.250 2.401 0.338 0.477 1.000 0.800 CA 1.745 6 residues pruned to eliminate duplicates Z: 107 89.660 2.433 0.669 0.734 0.991 0.726 CB 1.755 107 residues pruned to eliminate duplicates Z: 42 43.381 2.407 0.526 0.613 0.927 0.683 CB 1.787 42 residues pruned to eliminate duplicates Z: 91 78.024 2.405 0.730 0.702 0.944 0.733 CB 1.742 91 residues pruned to eliminate duplicates Z: 90 85.763 2.422 0.711 0.724 0.955 0.708 CB 1.876 90 residues pruned to eliminate duplicates Z: 109 83.373 2.408 0.609 0.709 0.981 0.731 CB 1.744 109 residues pruned to eliminate duplicates Z: 108 88.679 2.421 0.721 0.713 0.972 0.766 CB 1.745 108 residues pruned to eliminate duplicates Z: 108 86.083 2.431 0.695 0.717 0.953 0.757 CB 1.741 108 residues pruned to eliminate duplicates Z: 93 82.621 2.428 0.622 0.706 0.967 0.761 CB 1.875 93 residues pruned to eliminate duplicates Z: 96 85.801 2.455 0.702 0.705 0.937 0.779 CB 1.868 96 residues pruned to eliminate duplicates Z: 7 5.150 1.667 0.605 0.322 0.833 0.333 CB 1.147 Z: 13 27.509 2.192 0.528 0.861 1.000 0.667 CB 1.742 20 residues pruned to eliminate duplicates Z: 143 117.725 2.473 0.794 0.746 0.979 0.782 CB 1.827 143 residues pruned to eliminate duplicates Z: 14 22.538 2.355 0.415 0.727 0.923 0.769 CB 1.657 14 residues pruned to eliminate duplicates Z: 71 85.756 2.541 0.712 0.763 0.971 0.800 CB 1.920 71 residues pruned to eliminate duplicates Z: 185 121.656 2.438 0.713 0.713 0.973 0.766 CB 1.819 185 residues pruned to eliminate duplicates Z: 107 92.902 2.433 0.676 0.743 0.962 0.736 CB 1.850 107 residues pruned to eliminate duplicates Z: 143 106.629 2.449 0.727 0.750 0.937 0.782 CB 1.806 143 residues pruned to eliminate duplicates Z: 95 85.843 2.450 0.647 0.732 0.947 0.777 CB 1.880 95 residues pruned to eliminate duplicates Z: 97 80.081 2.391 0.723 0.694 0.938 0.708 CB 1.772 97 residues pruned to eliminate duplicates Z: 143 113.233 2.467 0.791 0.745 0.958 0.803 CB 1.804 143 residues pruned to eliminate duplicates Z: 143 120.596 2.467 0.823 0.752 0.986 0.789 CB 1.823 143 residues pruned to eliminate duplicates Z: 38 73.537 2.527 0.855 0.798 0.973 0.757 CB 2.043 38 residues pruned to eliminate duplicates Z: 128 107.817 2.450 0.805 0.734 0.969 0.748 CB 1.810 128 residues pruned to eliminate duplicates Z: 169 115.712 2.419 0.829 0.701 0.935 0.696 CB 1.798 169 residues pruned to eliminate duplicates Z: 184 124.943 2.447 0.793 0.703 0.967 0.727 CB 1.809 184 residues pruned to eliminate duplicates Z: 27 78.826 2.465 1.238 0.918 1.000 0.846 CB 1.976 27 residues pruned to eliminate duplicates Z: 119 110.853 2.436 0.964 0.725 0.958 0.729 CB 1.819 119 residues pruned to eliminate duplicates Z: 144 110.181 2.453 0.756 0.749 0.951 0.755 CB 1.800 144 residues pruned to eliminate duplicates Z: 97 82.312 2.415 0.663 0.700 0.948 0.729 CB 1.839 97 residues pruned to eliminate duplicates Z: 64 80.091 2.367 0.972 0.704 0.968 0.714 CB 1.855 64 residues pruned to eliminate duplicates Z: 97 83.573 2.389 0.755 0.679 0.948 0.667 CB 1.820 97 residues pruned to eliminate duplicates Z: 39 74.310 2.484 1.042 0.778 0.974 0.789 CB 1.909 39 residues pruned to eliminate duplicates Z: 89 92.324 2.455 0.825 0.732 0.955 0.716 CB 1.868 89 residues pruned to eliminate duplicates Z: 39 76.068 2.481 1.012 0.801 0.974 0.763 CB 1.952 39 residues pruned to eliminate duplicates Z: 97 91.714 2.409 0.820 0.707 0.938 0.719 CB 1.886 97 residues pruned to eliminate duplicates Z: 119 105.044 2.442 0.910 0.730 0.941 0.746 CB 1.792 119 residues pruned to eliminate duplicates Z: 75 88.283 2.468 0.840 0.752 0.959 0.743 CB 1.881 75 residues pruned to eliminate duplicates Z: 143 117.656 2.453 0.858 0.754 0.965 0.768 CB 1.791 143 residues pruned to eliminate duplicates Z: 131 105.711 2.429 0.815 0.716 0.954 0.754 CB 1.813 131 residues pruned to eliminate duplicates Z: 142 118.744 2.469 0.821 0.753 0.972 0.745 CB 1.827 142 residues pruned to eliminate duplicates Z: 43 66.111 2.378 0.935 0.718 0.976 0.619 CB 1.864 43 residues pruned to eliminate duplicates Z: 144 113.604 2.458 0.778 0.747 0.958 0.769 CB 1.819 144 residues pruned to eliminate duplicates Z: 181 117.364 2.405 0.793 0.698 0.956 0.672 CB 1.772 181 residues pruned to eliminate duplicates Z: 99 85.261 2.404 0.718 0.700 0.939 0.694 CB 1.851 99 residues pruned to eliminate duplicates Z: 144 113.469 2.452 0.796 0.746 0.972 0.762 CB 1.778 144 residues pruned to eliminate duplicates Z: 146 113.797 2.451 0.789 0.738 0.966 0.772 CB 1.803 146 residues pruned to eliminate duplicates Z: 143 116.977 2.458 0.794 0.752 0.986 0.761 CB 1.804 143 residues pruned to eliminate duplicates Z: 145 113.857 2.453 0.788 0.738 0.965 0.743 CB 1.810 145 residues pruned to eliminate duplicates Z: 13 19.210 2.214 0.209 0.684 1.000 0.500 CB 1.750 13 residues pruned to eliminate duplicates Z: 9 8.495 1.827 0.111 0.739 0.875 0.375 CA 1.366 9 residues pruned to eliminate duplicates Z: 27 25.590 2.148 0.447 0.571 0.885 0.577 CB 1.705 27 residues pruned to eliminate duplicates Z: 62 49.675 2.315 0.520 0.644 0.918 0.754 CB 1.722 62 residues pruned to eliminate duplicates Z: 183 121.614 2.452 0.714 0.706 0.973 0.747 CB 1.830 183 residues pruned to eliminate duplicates Z: 113 85.366 2.385 0.709 0.683 0.955 0.679 CB 1.751 113 residues pruned to eliminate duplicates Z: 144 106.251 2.460 0.711 0.743 0.951 0.783 CB 1.785 144 residues pruned to eliminate duplicates Z: 143 108.500 2.466 0.698 0.744 0.965 0.754 CB 1.811 143 residues pruned to eliminate duplicates Z: 141 93.278 2.392 0.691 0.665 0.971 0.714 CB 1.722 141 residues pruned to eliminate duplicates Z: 97 84.497 2.434 0.679 0.705 0.948 0.719 CB 1.847 97 residues pruned to eliminate duplicates Z: 128 101.437 2.451 0.728 0.734 0.945 0.772 CB 1.822 128 residues pruned to eliminate duplicates Z: 124 108.643 2.442 0.817 0.736 0.976 0.780 CB 1.831 124 residues pruned to eliminate duplicates Z: 73 67.413 2.374 0.630 0.734 0.972 0.764 CB 1.711 73 residues pruned to eliminate duplicates Z: 182 118.485 2.452 0.712 0.707 0.967 0.740 CB 1.798 182 residues pruned to eliminate duplicates Z: 184 122.943 2.450 0.730 0.717 0.973 0.727 CB 1.812 184 residues pruned to eliminate duplicates Z: 95 81.811 2.417 0.679 0.701 0.947 0.660 CB 1.829 95 residues pruned to eliminate duplicates Z: 96 86.382 2.439 0.692 0.711 0.947 0.684 CB 1.871 96 residues pruned to eliminate duplicates Z: 143 111.747 2.461 0.725 0.743 0.972 0.725 CB 1.829 143 residues pruned to eliminate duplicates Z: 74 73.547 2.409 0.770 0.725 0.973 0.795 CB 1.695 74 residues pruned to eliminate duplicates Z: 97 84.086 2.435 0.619 0.710 0.969 0.750 CB 1.857 97 residues pruned to eliminate duplicates Z: 148 96.668 2.410 0.685 0.678 0.966 0.701 CB 1.725 148 residues pruned to eliminate duplicates Z: 146 101.554 2.430 0.659 0.727 0.952 0.752 CB 1.792 146 residues pruned to eliminate duplicates Z: 106 87.462 2.440 0.684 0.729 0.962 0.771 CB 1.758 106 residues pruned to eliminate duplicates Z: 143 110.902 2.475 0.703 0.751 0.965 0.789 CB 1.829 143 residues pruned to eliminate duplicates Z: 148 93.481 2.388 0.670 0.684 0.946 0.626 CB 1.726 148 residues pruned to eliminate duplicates Z: 96 82.984 2.424 0.699 0.698 0.937 0.716 CB 1.842 96 residues pruned to eliminate duplicates Z: 105 90.620 2.451 0.673 0.742 0.981 0.750 CB 1.779 105 residues pruned to eliminate duplicates Z: 134 103.921 2.451 0.718 0.750 0.955 0.774 CB 1.793 134 residues pruned to eliminate duplicates Z: 107 91.665 2.441 0.741 0.715 0.972 0.726 CB 1.774 107 residues pruned to eliminate duplicates Z: 97 83.979 2.411 0.671 0.713 0.948 0.750 CB 1.850 69 residues pruned to eliminate duplicates Z: 17 48.335 2.440 0.811 0.917 1.000 0.875 CB 1.930 17 residues pruned to eliminate duplicates Z: 97 75.350 2.401 0.733 0.666 0.917 0.688 CB 1.729 97 residues pruned to eliminate duplicates Z: 73 72.938 2.418 0.694 0.707 0.958 0.778 CB 1.814 73 residues pruned to eliminate duplicates Z: 96 78.121 2.374 0.654 0.678 0.947 0.695 CB 1.829 96 residues pruned to eliminate duplicates Z: 144 112.887 2.476 0.715 0.744 0.979 0.769 CB 1.825 144 residues pruned to eliminate duplicates 361 residues left after pruning, divided into chains as follows: A: 13 B: 339 C: 9 CC for partial structure against native data = 40.74 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.508, Connect. = 0.809 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.821 for dens.mod. cycle 2 = 0.300, Contrast = 0.693, Connect. = 0.846 for dens.mod. cycle 3 = 0.300, Contrast = 0.701, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.713, Connect. = 0.850 for dens.mod. cycle 5 = 0.300, Contrast = 0.717, Connect. = 0.851 for dens.mod. cycle 6 = 0.300, Contrast = 0.724, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.727, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.731, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.733, Connect. = 0.854 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.30 - 2.61 - 2.28 - 2.07 - 1.92 - 1.80 - 1.71 - 1.64 - 1.57 - 1.51 0.731 0.764 0.775 0.752 0.709 0.656 0.621 0.578 0.504 0.463 0.891 0.905 0.897 0.865 0.818 0.749 0.701 0.652 0.575 0.528 N 6490 6517 6434 6486 6506 6894 6531 6096 7061 5541 Estimated mean FOM = 0.657 Pseudo-free CC = 68.46 % Best trace (cycle 3 with CC 42.40%) was saved as ./2oyo-1.5-parrot-mrncs/2oyo-1.5-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 6.3 - Setup, data input and phasing 24.3 - FFTs and peak-searches 60.4 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 1790.8 - Tripeptide search 13607.5 - Chain tracing 0.0 - NCS analysis 43.4 - B-value refinement for trace 1.0 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 23:40:34 Total time: 15534.44 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 260.17 Used memory is bytes: 28388472