++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:19:11 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: ./1zkg-2.3-parrot-mrncs/1zkg-2.3-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1zkg-2.3-parrot-mrncs/1zkg-2.3-parrot-mrncs.ins Phases from ./1zkg-2.3-parrot-mrncs/1zkg-2.3-parrot-mrncs.phi Native data from ./1zkg-2.3-parrot-mrncs/1zkg-2.3-parrot-mrncs.hkl Listing output to ./1zkg-2.3-parrot-mrncs/1zkg-2.3-parrot-mrncs.lst Phases output to ./1zkg-2.3-parrot-mrncs/1zkg-2.3-parrot-mrncs.phs Poly-Ala trace output to ./1zkg-2.3-parrot-mrncs/1zkg-2.3-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: P 1 21 1 Allowed origin shift code: 2 21358 Reflections read from file ./1zkg-2.3-parrot-mrncs/1zkg-2.3-parrot-mrncs.phi 21358 Reflections read from file ./1zkg-2.3-parrot-mrncs/1zkg-2.3-parrot-mrncs.hkl 21358 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by -0.001251h^2 -0.000049k^2 +0.000847l^2 +0.000000kl -0.001846hl +0.000000hk 11 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 64 x 128 x 39 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.700 = 0.300, Contrast = 0.423, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.429, Connect. = 0.674 for dens.mod. cycle 2 = 0.300, Contrast = 0.532, Connect. = 0.713 for dens.mod. cycle 3 = 0.300, Contrast = 0.575, Connect. = 0.727 for dens.mod. cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.734 for dens.mod. cycle 5 = 0.300, Contrast = 0.617, Connect. = 0.740 for dens.mod. cycle 6 = 0.300, Contrast = 0.628, Connect. = 0.744 for dens.mod. cycle 7 = 0.300, Contrast = 0.636, Connect. = 0.747 for dens.mod. cycle 8 = 0.300, Contrast = 0.641, Connect. = 0.750 for dens.mod. cycle 9 = 0.300, Contrast = 0.645, Connect. = 0.751 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1223 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 387 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 28.335 2.028 0.805 0.929 1.000 0.826 CB 1.129 B: 17 20.285 1.996 0.787 0.870 0.938 0.625 CB 1.106 C: 24 28.188 1.968 0.938 0.911 1.000 0.609 CB 1.092 24 residues pruned to eliminate duplicates D: 16 26.980 2.092 0.862 0.923 1.000 0.933 CB 1.257 17 residues pruned to eliminate duplicates E: 15 28.670 2.068 1.044 0.934 0.929 0.643 CB 1.361 F: 24 39.530 2.025 0.910 0.924 1.000 0.783 CB 1.496 G: 25 25.623 1.960 0.600 0.906 1.000 0.875 CB 1.186 24 residues pruned to eliminate duplicates H: 23 27.641 2.050 0.598 0.926 1.000 0.818 CB 1.261 23 residues pruned to eliminate duplicates I: 16 27.923 2.056 0.938 0.917 0.933 0.800 CB 1.369 15 residues pruned to eliminate duplicates J: 25 31.742 1.834 0.875 0.922 0.958 0.750 CB 1.383 K: 18 23.919 2.018 0.884 0.844 0.882 0.765 CB 1.287 16 residues pruned to eliminate duplicates L: 16 24.459 2.055 0.910 0.909 1.000 0.600 CB 1.142 16 residues pruned to eliminate duplicates M: 31 34.498 1.929 0.758 0.867 0.933 0.867 CA 1.455 N: 15 25.397 2.088 0.846 0.890 0.857 0.857 CB 1.477 15 residues pruned to eliminate duplicates O: 17 26.227 1.958 0.623 0.926 1.000 0.938 CB 1.447 19 residues pruned to eliminate duplicates P: 26 30.674 1.951 0.695 0.892 0.960 0.840 CB 1.388 26 residues pruned to eliminate duplicates Q: 27 41.149 2.005 1.066 0.933 0.962 0.808 CB 1.415 31 residues pruned to eliminate duplicates R: 16 31.337 2.042 0.947 0.915 1.000 0.800 CB 1.438 16 residues pruned to eliminate duplicates S: 16 26.914 1.987 0.876 0.889 1.000 0.800 CB 1.343 16 residues pruned to eliminate duplicates T: 26 41.345 1.994 1.082 0.927 1.000 0.800 CB 1.396 24 residues pruned to eliminate duplicates U: 24 25.160 1.990 0.523 0.921 1.000 0.913 CB 1.218 24 residues pruned to eliminate duplicates V: 23 27.559 2.024 0.542 0.940 1.000 0.909 CB 1.307 23 residues pruned to eliminate duplicates W: 20 33.707 1.920 0.965 0.935 1.000 0.789 CB 1.429 21 residues pruned to eliminate duplicates X: 19 28.789 2.020 0.656 0.849 1.000 0.889 CB 1.504 19 residues pruned to eliminate duplicates Y: 25 33.847 1.952 0.752 0.938 1.000 0.792 CB 1.405 25 residues pruned to eliminate duplicates Z: 25 41.918 2.025 0.998 0.941 1.000 0.958 CB 1.467 26 residues pruned to eliminate duplicates Z: 8 22.354 1.972 1.041 0.902 1.000 0.857 CA 1.497 Z: 26 39.315 1.993 0.909 0.900 1.000 0.880 CB 1.477 26 residues pruned to eliminate duplicates Z: 11 13.380 1.860 0.329 0.829 1.000 0.700 CB 1.288 11 residues pruned to eliminate duplicates Z: 15 20.278 2.084 0.718 0.928 0.929 0.929 CB 1.141 15 residues pruned to eliminate duplicates Z: 26 28.189 1.927 0.593 0.872 0.960 0.800 CB 1.394 26 residues pruned to eliminate duplicates Z: 20 28.802 1.924 0.916 0.886 0.895 0.737 CB 1.445 19 residues pruned to eliminate duplicates Z: 27 39.654 2.025 0.862 0.913 1.000 0.808 CB 1.459 27 residues pruned to eliminate duplicates Z: 9 13.551 1.746 0.776 0.681 0.875 0.500 CA 1.494 Z: 26 27.678 1.850 0.871 0.875 1.000 0.640 CB 1.163 Z: 26 33.484 1.963 0.767 0.895 0.960 0.920 CB 1.442 26 residues pruned to eliminate duplicates Z: 17 23.701 1.962 0.536 0.937 1.000 0.938 CB 1.368 17 residues pruned to eliminate duplicates Z: 30 29.285 1.831 0.915 0.833 0.931 0.690 CB 1.249 Z: 16 19.814 1.848 0.400 0.876 1.000 0.867 O 1.437 7 residues pruned to eliminate duplicates Z: 15 16.083 2.037 0.493 0.903 1.000 0.929 CB 1.008 15 residues pruned to eliminate duplicates Z: 25 29.365 1.846 0.820 0.930 0.958 0.708 CB 1.303 25 residues pruned to eliminate duplicates Z: 19 30.949 1.910 0.817 0.893 0.944 0.778 CA 1.598 19 residues pruned to eliminate duplicates Z: 25 27.298 2.017 0.645 0.906 0.958 0.833 CB 1.246 25 residues pruned to eliminate duplicates Z: 28 33.316 1.942 0.679 0.885 1.000 0.926 CB 1.420 28 residues pruned to eliminate duplicates Z: 18 33.503 1.936 1.014 0.932 1.000 0.765 CB 1.456 18 residues pruned to eliminate duplicates Z: 26 28.899 1.883 0.630 0.902 0.960 0.840 CB 1.399 16 residues pruned to eliminate duplicates Z: 14 12.947 1.689 0.480 0.844 0.923 0.615 CB 1.158 Z: 26 28.365 1.910 0.809 0.915 0.960 0.760 CB 1.209 25 residues pruned to eliminate duplicates Z: 26 34.800 2.013 0.845 0.899 0.960 0.800 CB 1.395 26 residues pruned to eliminate duplicates Z: 12 15.058 1.716 0.805 0.857 1.000 0.818 CB 1.080 10 residues pruned to eliminate duplicates Z: 18 22.532 1.915 0.548 0.945 1.000 1.000 CB 1.276 Z: 26 27.584 1.938 0.662 0.895 0.960 0.880 CB 1.279 26 residues pruned to eliminate duplicates Z: 16 27.754 2.095 0.899 0.944 1.000 0.867 CB 1.248 16 residues pruned to eliminate duplicates Z: 13 19.268 1.894 0.615 0.858 0.917 0.583 CB 1.460 9 residues pruned to eliminate duplicates Z: 9 14.402 1.811 0.723 0.845 1.000 0.625 CB 1.213 Z: 26 36.904 2.013 0.930 0.907 0.960 0.880 CB 1.407 26 residues pruned to eliminate duplicates Z: 28 33.448 1.884 0.726 0.916 1.000 0.852 CB 1.398 28 residues pruned to eliminate duplicates Z: 19 24.521 1.899 1.056 0.928 0.944 0.611 CB 1.097 18 residues pruned to eliminate duplicates Z: 21 29.799 1.896 0.886 0.927 1.000 0.950 CB 1.306 21 residues pruned to eliminate duplicates Z: 28 39.764 1.941 0.852 0.921 1.000 0.889 CB 1.498 27 residues pruned to eliminate duplicates Z: 17 21.748 1.787 0.643 0.882 0.938 0.750 CA 1.429 17 residues pruned to eliminate duplicates Z: 24 28.339 1.997 1.006 0.924 1.000 0.652 CB 1.036 24 residues pruned to eliminate duplicates Z: 19 23.177 1.873 0.576 0.880 1.000 0.667 CB 1.342 19 residues pruned to eliminate duplicates Z: 29 32.570 1.894 0.902 0.893 0.929 0.750 CB 1.321 25 residues pruned to eliminate duplicates Z: 24 32.941 1.996 1.013 0.932 1.000 0.435 CB 1.194 26 residues pruned to eliminate duplicates Z: 13 18.622 1.830 0.409 0.885 1.000 0.833 CB 1.506 13 residues pruned to eliminate duplicates Z: 27 22.911 1.826 0.576 0.851 0.923 0.654 CB 1.252 27 residues pruned to eliminate duplicates Z: 23 33.667 1.986 0.884 0.925 0.955 0.818 CB 1.411 23 residues pruned to eliminate duplicates Z: 25 28.513 1.987 0.563 0.942 1.000 0.875 CB 1.299 26 residues pruned to eliminate duplicates Z: 9 9.267 1.747 0.578 0.755 0.875 0.750 CB 1.082 9 residues pruned to eliminate duplicates Z: 15 22.703 1.875 0.703 0.920 0.929 0.929 CB 1.440 15 residues pruned to eliminate duplicates Z: 27 33.713 1.942 0.724 0.905 1.000 0.962 CA 1.405 27 residues pruned to eliminate duplicates Z: 25 22.746 1.734 0.889 0.766 0.875 0.500 CB 1.280 25 residues pruned to eliminate duplicates Z: 9 12.969 1.837 0.368 0.840 1.000 0.750 CB 1.362 9 residues pruned to eliminate duplicates Z: 25 43.530 2.020 1.165 0.890 1.000 0.708 CB 1.461 25 residues pruned to eliminate duplicates Z: 24 30.354 2.017 0.607 0.926 1.000 0.913 CB 1.369 23 residues pruned to eliminate duplicates Z: 16 12.407 1.690 0.544 0.782 0.867 0.533 CB 1.105 14 residues pruned to eliminate duplicates Z: 27 36.906 2.004 0.735 0.900 1.000 0.923 CB 1.487 27 residues pruned to eliminate duplicates Z: 25 22.594 1.850 0.450 0.902 1.000 0.958 CB 1.227 25 residues pruned to eliminate duplicates Z: 21 29.497 1.882 0.734 0.925 1.000 0.900 CB 1.418 21 residues pruned to eliminate duplicates Z: 11 12.662 1.797 0.478 0.920 1.000 0.800 CB 1.062 Z: 18 25.219 1.846 0.904 0.903 1.000 0.941 CB 1.240 18 residues pruned to eliminate duplicates Z: 26 38.097 2.027 0.937 0.917 1.000 0.760 CB 1.369 26 residues pruned to eliminate duplicates Z: 27 36.864 1.978 0.795 0.881 0.962 0.885 CB 1.533 27 residues pruned to eliminate duplicates Z: 28 38.874 1.981 0.792 0.920 1.000 0.889 CB 1.484 28 residues pruned to eliminate duplicates Z: 25 23.984 1.829 0.634 0.850 1.000 0.708 CB 1.214 25 residues pruned to eliminate duplicates Z: 24 30.286 2.048 0.631 0.961 1.000 0.957 CB 1.294 24 residues pruned to eliminate duplicates Z: 24 32.376 1.988 0.597 0.931 1.000 0.913 CB 1.486 24 residues pruned to eliminate duplicates Z: 23 19.328 1.812 0.899 0.877 0.864 0.545 CB 1.007 23 residues pruned to eliminate duplicates Z: 31 31.277 1.856 0.710 0.907 1.000 0.733 CB 1.279 31 residues pruned to eliminate duplicates Z: 16 17.205 2.055 0.229 0.917 1.000 0.800 CB 1.242 16 residues pruned to eliminate duplicates Z: 20 26.394 1.931 0.500 0.948 0.947 0.947 CB 1.524 20 residues pruned to eliminate duplicates Z: 25 40.571 2.033 0.972 0.906 1.000 0.833 CB 1.469 25 residues pruned to eliminate duplicates Z: 26 40.708 1.982 1.111 0.911 1.000 0.880 CB 1.379 26 residues pruned to eliminate duplicates Z: 14 15.659 1.687 0.679 0.865 0.923 0.769 CB 1.217 9 residues pruned to eliminate duplicates Z: 16 19.406 1.806 0.419 0.932 1.000 1.000 CA 1.365 16 residues pruned to eliminate duplicates Z: 25 29.869 2.006 0.589 0.893 0.958 0.875 CB 1.433 25 residues pruned to eliminate duplicates Z: 11 12.518 1.713 0.756 0.864 0.900 0.700 CB 1.073 11 residues pruned to eliminate duplicates Z: 27 35.157 2.012 0.774 0.919 1.000 0.923 CB 1.361 27 residues pruned to eliminate duplicates Z: 27 35.298 1.995 0.803 0.891 0.962 0.923 CB 1.439 27 residues pruned to eliminate duplicates Z: 12 16.769 1.928 0.648 0.892 1.000 0.909 CB 1.144 12 residues pruned to eliminate duplicates Z: 27 35.395 1.941 0.719 0.910 1.000 1.000 CB 1.476 27 residues pruned to eliminate duplicates Z: 10 12.081 1.885 0.750 0.927 1.000 0.889 CB 0.856 10 residues pruned to eliminate duplicates Z: 16 14.426 1.996 -0.023 0.916 1.000 0.867 CB 1.349 16 residues pruned to eliminate duplicates Z: 7 9.602 1.714 0.567 0.891 1.000 1.000 CB 1.049 Z: 12 15.391 1.775 0.803 0.860 0.909 0.818 CB 1.173 12 residues pruned to eliminate duplicates Z: 27 23.508 1.811 0.612 0.908 0.962 0.923 CB 1.167 27 residues pruned to eliminate duplicates Z: 27 27.385 1.885 0.650 0.858 1.000 0.846 CB 1.272 27 residues pruned to eliminate duplicates Z: 26 35.021 1.996 0.759 0.902 1.000 1.000 CB 1.424 26 residues pruned to eliminate duplicates Z: 31 31.745 1.846 0.804 0.883 1.000 0.633 CB 1.258 31 residues pruned to eliminate duplicates Z: 18 24.760 1.871 1.003 0.935 1.000 0.882 CB 1.117 19 residues pruned to eliminate duplicates Z: 25 28.428 1.950 0.963 0.906 0.958 0.500 CB 1.125 25 residues pruned to eliminate duplicates Z: 26 41.432 1.998 1.071 0.910 0.960 0.880 CB 1.480 26 residues pruned to eliminate duplicates Z: 10 15.668 1.701 0.489 0.889 1.000 1.000 CA 1.485 Z: 26 24.458 1.835 0.694 0.870 1.000 0.640 CB 1.148 26 residues pruned to eliminate duplicates Z: 12 12.380 1.695 0.583 0.814 0.818 0.636 CB 1.293 11 residues pruned to eliminate duplicates Z: 7 8.949 1.743 0.555 0.866 1.000 1.000 CB 0.987 7 residues pruned to eliminate duplicates Z: 29 35.173 1.894 1.051 0.912 1.000 0.536 CB 1.211 29 residues pruned to eliminate duplicates Z: 15 27.885 2.129 0.959 0.927 1.000 0.786 CB 1.252 15 residues pruned to eliminate duplicates Z: 17 23.803 1.956 0.660 0.931 1.000 0.938 CB 1.280 17 residues pruned to eliminate duplicates Z: 28 32.718 1.901 0.770 0.906 0.963 0.815 CB 1.382 28 residues pruned to eliminate duplicates Z: 28 21.885 1.878 0.387 0.856 0.963 0.926 CB 1.238 28 residues pruned to eliminate duplicates Z: 13 22.454 1.886 0.893 0.915 1.000 0.667 CB 1.283 13 residues pruned to eliminate duplicates Z: 17 26.872 1.958 0.613 0.909 1.000 0.750 CB 1.510 17 residues pruned to eliminate duplicates Z: 26 37.398 1.943 0.900 0.921 1.000 0.840 CB 1.425 26 residues pruned to eliminate duplicates Z: 23 36.256 2.044 0.970 0.927 1.000 0.864 CB 1.345 23 residues pruned to eliminate duplicates Z: 25 19.864 1.829 0.521 0.878 0.958 0.750 CB 1.103 25 residues pruned to eliminate duplicates Z: 16 26.145 1.896 0.854 0.855 1.000 0.733 CB 1.417 15 residues pruned to eliminate duplicates Z: 26 36.118 1.999 1.025 0.893 0.920 0.760 CB 1.393 26 residues pruned to eliminate duplicates Z: 17 16.361 1.982 0.146 0.886 1.000 0.812 CB 1.300 17 residues pruned to eliminate duplicates Z: 24 42.816 2.001 1.126 0.921 1.000 0.609 CB 1.478 24 residues pruned to eliminate duplicates Z: 26 43.789 2.042 0.938 0.918 1.000 0.960 CB 1.561 26 residues pruned to eliminate duplicates Z: 7 7.459 1.801 0.947 0.888 1.000 0.833 CB 0.626 Z: 22 23.278 1.840 0.625 0.919 1.000 0.857 CB 1.197 22 residues pruned to eliminate duplicates Z: 19 20.728 1.800 0.748 0.895 0.944 0.889 CB 1.179 19 residues pruned to eliminate duplicates Z: 16 25.810 2.010 0.694 0.907 1.000 0.733 CB 1.391 16 residues pruned to eliminate duplicates Z: 27 38.596 2.016 0.882 0.895 0.962 0.769 CB 1.488 27 residues pruned to eliminate duplicates Z: 18 23.542 1.862 0.902 0.865 0.941 0.765 CB 1.255 18 residues pruned to eliminate duplicates Z: 29 33.958 1.888 1.018 0.870 0.964 0.571 CB 1.275 29 residues pruned to eliminate duplicates Z: 17 18.866 1.991 0.392 0.897 1.000 0.750 CB 1.219 16 residues pruned to eliminate duplicates Z: 19 24.624 1.892 0.639 0.899 1.000 0.944 CA 1.338 19 residues pruned to eliminate duplicates Z: 24 28.433 1.901 0.750 0.873 0.957 0.783 CB 1.357 24 residues pruned to eliminate duplicates Z: 29 30.824 1.872 0.876 0.887 1.000 0.679 CB 1.196 29 residues pruned to eliminate duplicates Z: 24 39.462 2.011 1.111 0.929 1.000 0.652 CB 1.356 24 residues pruned to eliminate duplicates Z: 27 24.405 1.847 0.668 0.875 0.923 0.615 CB 1.224 27 residues pruned to eliminate duplicates Z: 18 24.553 1.854 0.739 0.916 1.000 0.765 CB 1.304 18 residues pruned to eliminate duplicates Z: 24 21.040 1.956 0.470 0.909 0.913 0.783 CB 1.186 24 residues pruned to eliminate duplicates Z: 8 11.094 1.593 0.479 0.860 1.000 0.857 CA 1.309 7 residues pruned to eliminate duplicates Z: 27 39.098 1.930 1.184 0.932 1.000 0.615 CB 1.271 27 residues pruned to eliminate duplicates Z: 30 33.840 1.893 0.939 0.904 0.966 0.586 CB 1.264 30 residues pruned to eliminate duplicates Z: 27 41.648 2.027 0.935 0.917 1.000 0.923 CB 1.470 28 residues pruned to eliminate duplicates Z: 27 40.497 1.985 1.026 0.899 1.000 0.846 CB 1.412 27 residues pruned to eliminate duplicates Z: 18 23.661 1.834 0.747 0.932 1.000 0.882 CB 1.251 18 residues pruned to eliminate duplicates Z: 29 38.698 1.827 1.203 0.922 1.000 0.464 CB 1.278 29 residues pruned to eliminate duplicates Z: 15 15.069 1.745 0.504 0.765 0.929 0.857 CB 1.306 15 residues pruned to eliminate duplicates Z: 7 3.667 1.397 0.330 0.359 1.000 0.333 C 0.939 Z: 15 15.576 1.669 0.749 0.816 1.000 0.643 CB 1.084 14 residues pruned to eliminate duplicates Z: 44 30.351 1.807 0.748 0.716 0.930 0.628 CB 1.295 43 residues pruned to eliminate duplicates Z: 23 24.357 1.798 0.858 0.840 0.955 0.682 CB 1.215 23 residues pruned to eliminate duplicates Z: 29 39.695 1.981 0.976 0.894 0.964 0.750 CB 1.426 27 residues pruned to eliminate duplicates Z: 10 7.468 1.554 0.205 0.656 1.000 0.778 CB 1.150 10 residues pruned to eliminate duplicates Z: 19 26.081 1.854 0.752 0.903 1.000 0.944 CB 1.348 19 residues pruned to eliminate duplicates Z: 25 33.959 1.959 0.995 0.923 0.958 0.833 CB 1.301 25 residues pruned to eliminate duplicates Z: 27 21.218 1.803 0.741 0.864 0.885 0.654 CB 1.099 27 residues pruned to eliminate duplicates Z: 28 33.525 1.949 0.594 0.908 1.000 0.926 CA 1.475 28 residues pruned to eliminate duplicates Z: 16 17.795 1.883 0.433 0.870 0.933 0.667 CB 1.332 16 residues pruned to eliminate duplicates Z: 30 26.844 1.816 0.786 0.859 0.897 0.724 CB 1.261 30 residues pruned to eliminate duplicates Z: 25 21.667 1.788 0.668 0.839 0.917 0.708 CB 1.208 25 residues pruned to eliminate duplicates Z: 13 16.354 1.755 0.882 0.860 0.917 0.750 CB 1.147 13 residues pruned to eliminate duplicates Z: 8 6.853 1.714 1.023 0.710 0.857 0.286 CB 0.720 8 residues pruned to eliminate duplicates Z: 16 26.816 2.132 0.862 0.927 1.000 0.867 CB 1.223 16 residues pruned to eliminate duplicates Z: 19 25.858 1.909 1.000 0.869 0.944 0.833 CB 1.235 19 residues pruned to eliminate duplicates Z: 26 21.433 1.841 0.588 0.878 0.960 0.720 CB 1.109 26 residues pruned to eliminate duplicates Z: 18 24.525 1.881 0.764 0.866 1.000 0.765 CB 1.313 18 residues pruned to eliminate duplicates Z: 11 11.404 1.788 0.575 0.911 1.000 0.900 CB 0.908 11 residues pruned to eliminate duplicates Z: 19 22.302 1.840 0.458 0.930 1.000 1.000 CA 1.370 19 residues pruned to eliminate duplicates Z: 18 18.359 1.852 0.629 0.919 1.000 0.824 CB 1.040 18 residues pruned to eliminate duplicates Z: 13 14.536 1.984 0.185 0.845 0.917 0.917 CA 1.448 13 residues pruned to eliminate duplicates Z: 11 16.228 1.571 0.838 0.906 1.000 0.900 CA 1.264 11 residues pruned to eliminate duplicates Z: 14 23.295 2.044 0.961 0.892 0.923 0.692 CB 1.254 14 residues pruned to eliminate duplicates Z: 14 21.677 1.841 0.802 0.909 1.000 1.000 CB 1.286 14 residues pruned to eliminate duplicates Z: 26 22.285 1.824 0.679 0.891 0.960 0.640 CB 1.089 26 residues pruned to eliminate duplicates Z: 26 32.304 1.977 0.728 0.889 0.960 0.840 CB 1.418 26 residues pruned to eliminate duplicates Z: 26 31.451 1.957 0.797 0.883 0.920 0.760 CB 1.406 26 residues pruned to eliminate duplicates Z: 19 28.791 1.917 1.049 0.912 0.944 0.667 CB 1.296 19 residues pruned to eliminate duplicates Z: 17 11.363 1.552 0.528 0.810 1.000 0.812 CB 0.914 Z: 11 13.022 1.895 0.447 0.794 0.900 0.800 CB 1.289 10 residues pruned to eliminate duplicates Z: 16 20.868 1.895 0.498 0.891 1.000 0.800 CB 1.364 16 residues pruned to eliminate duplicates Z: 19 30.481 1.953 0.970 0.944 1.000 0.944 CB 1.293 19 residues pruned to eliminate duplicates Z: 8 10.298 1.797 0.776 0.824 0.857 0.571 CB 1.075 7 residues pruned to eliminate duplicates Z: 23 27.465 1.845 0.732 0.921 1.000 0.909 CB 1.289 23 residues pruned to eliminate duplicates Z: 20 28.247 1.881 1.217 0.933 0.947 0.789 CB 1.144 20 residues pruned to eliminate duplicates Z: 16 8.372 1.717 0.514 0.617 0.800 0.533 CB 0.931 16 residues pruned to eliminate duplicates Z: 26 22.943 1.916 0.590 0.849 0.960 0.840 CB 1.163 26 residues pruned to eliminate duplicates Z: 13 15.331 1.887 0.380 0.919 1.000 0.917 CB 1.198 13 residues pruned to eliminate duplicates Z: 10 5.758 1.604 0.919 0.864 0.778 0.667 CB 0.588 10 residues pruned to eliminate duplicates Z: 44 29.819 1.919 0.685 0.777 0.930 0.674 CB 1.183 40 residues pruned to eliminate duplicates Z: 31 32.782 1.868 0.828 0.895 0.967 0.733 CB 1.300 31 residues pruned to eliminate duplicates Z: 7 7.327 1.590 0.704 0.840 0.833 0.833 CB 0.989 7 residues pruned to eliminate duplicates Z: 8 10.563 1.856 0.680 0.871 0.857 0.714 CB 1.090 8 residues pruned to eliminate duplicates Z: 21 21.060 1.832 0.497 0.896 1.000 0.850 CB 1.230 21 residues pruned to eliminate duplicates Z: 12 16.136 1.662 0.706 0.906 1.000 0.818 CB 1.220 17 residues pruned to eliminate duplicates Z: 25 27.217 1.793 0.959 0.904 0.958 0.583 CB 1.176 25 residues pruned to eliminate duplicates Z: 8 14.338 1.838 0.820 0.738 0.857 0.857 CB 1.526 8 residues pruned to eliminate duplicates Z: 28 24.585 1.797 0.593 0.884 1.000 0.926 CB 1.195 28 residues pruned to eliminate duplicates Z: 9 10.016 1.986 -0.032 0.920 1.000 1.000 CB 1.297 9 residues pruned to eliminate duplicates Z: 26 21.049 1.830 0.572 0.891 0.960 0.800 CB 1.096 26 residues pruned to eliminate duplicates Z: 14 11.592 1.646 0.541 0.863 0.923 0.923 CB 1.008 14 residues pruned to eliminate duplicates Z: 20 25.310 1.843 0.612 0.897 1.000 0.895 CB 1.400 20 residues pruned to eliminate duplicates Z: 6 3.913 1.614 0.052 0.569 1.000 0.600 CB 0.964 Z: 22 24.986 1.777 0.719 0.887 1.000 0.762 CB 1.287 22 residues pruned to eliminate duplicates Z: 15 21.360 1.869 1.071 0.914 0.857 0.643 CB 1.217 15 residues pruned to eliminate duplicates Z: 31 31.590 1.913 0.631 0.883 0.967 0.833 CB 1.383 29 residues pruned to eliminate duplicates Z: 29 17.473 1.567 0.801 0.894 0.893 0.607 CB 0.940 24 residues pruned to eliminate duplicates Z: 8 9.295 1.826 0.239 0.861 0.857 0.857 CB 1.330 8 residues pruned to eliminate duplicates Z: 9 5.750 1.539 0.592 0.458 0.750 0.625 CA 1.155 9 residues pruned to eliminate duplicates Z: 22 23.867 1.835 0.782 0.843 0.905 0.714 CB 1.311 22 residues pruned to eliminate duplicates Z: 25 26.310 2.007 0.590 0.901 0.958 0.833 CB 1.253 25 residues pruned to eliminate duplicates Z: 8 13.133 2.080 0.565 0.911 1.000 1.000 CB 1.081 9 residues pruned to eliminate duplicates Z: 11 12.213 1.776 0.360 0.908 0.800 0.700 N 1.420 11 residues pruned to eliminate duplicates Z: 12 15.572 1.686 0.891 0.914 1.000 0.909 CB 1.042 12 residues pruned to eliminate duplicates Z: 8 4.724 1.508 0.520 0.444 0.857 0.714 CB 0.962 Z: 12 15.457 1.597 0.698 0.808 1.000 0.636 CB 1.313 10 residues pruned to eliminate duplicates Z: 27 21.949 1.876 0.720 0.674 0.885 0.654 CB 1.284 27 residues pruned to eliminate duplicates Z: 28 26.118 1.812 0.843 0.805 0.926 0.704 CB 1.246 28 residues pruned to eliminate duplicates Z: 24 28.345 1.999 0.667 0.944 1.000 0.696 CB 1.229 24 residues pruned to eliminate duplicates Z: 10 11.646 1.807 0.422 0.732 0.889 0.667 CB 1.379 10 residues pruned to eliminate duplicates Z: 19 23.504 1.876 0.562 0.936 1.000 1.000 CB 1.317 19 residues pruned to eliminate duplicates Z: 12 16.773 1.778 0.668 0.756 0.909 0.727 CB 1.493 12 residues pruned to eliminate duplicates Z: 20 22.286 1.789 0.714 0.856 1.000 0.842 CB 1.230 20 residues pruned to eliminate duplicates Z: 8 9.418 1.810 0.555 0.878 0.857 0.714 CB 1.071 8 residues pruned to eliminate duplicates Z: 7 6.301 1.681 0.889 0.755 0.833 0.500 CB 0.774 Z: 10 16.415 1.662 0.985 0.868 1.000 0.444 CB 1.213 12 residues pruned to eliminate duplicates Z: 18 11.497 1.462 0.540 0.853 0.941 0.824 CB 0.973 18 residues pruned to eliminate duplicates Z: 25 22.077 1.794 0.397 0.917 1.000 0.792 CB 1.269 25 residues pruned to eliminate duplicates Z: 9 14.880 1.860 0.424 0.838 1.000 1.000 CA 1.486 9 residues pruned to eliminate duplicates Z: 13 13.384 1.814 0.501 0.803 0.833 0.500 CB 1.307 13 residues pruned to eliminate duplicates Z: 6 3.500 1.618 0.477 0.828 0.800 0.600 CB 0.616 Z: 17 22.768 2.019 0.741 0.853 0.875 0.625 CB 1.368 17 residues pruned to eliminate duplicates Z: 13 17.433 1.822 0.749 0.775 0.917 0.750 CB 1.350 13 residues pruned to eliminate duplicates Z: 23 22.974 1.942 0.509 0.915 0.955 0.909 CB 1.237 23 residues pruned to eliminate duplicates Z: 9 11.603 2.040 0.151 0.925 1.000 1.000 CB 1.226 9 residues pruned to eliminate duplicates Z: 9 4.443 1.510 0.186 0.478 0.750 0.625 O 1.196 9 residues pruned to eliminate duplicates Z: 9 10.134 1.539 0.439 0.863 1.000 0.875 CB 1.187 6 residues pruned to eliminate duplicates Z: 9 12.991 1.920 0.546 0.913 1.000 1.000 CB 1.095 9 residues pruned to eliminate duplicates Z: 20 20.412 1.854 0.340 0.925 1.000 0.947 CB 1.323 20 residues pruned to eliminate duplicates Z: 7 8.919 1.720 0.596 0.870 1.000 1.000 CB 0.967 7 residues pruned to eliminate duplicates Z: 8 2.782 1.314 0.369 0.540 0.714 0.286 CB 0.787 Z: 28 24.602 1.792 0.666 0.894 0.926 0.667 CB 1.229 28 residues pruned to eliminate duplicates Z: 27 28.509 1.823 0.891 0.863 0.962 0.500 CB 1.238 27 residues pruned to eliminate duplicates Z: 20 28.258 1.854 0.941 0.895 0.947 0.684 CB 1.363 20 residues pruned to eliminate duplicates Z: 26 37.571 2.005 0.936 0.910 0.960 0.920 CB 1.430 26 residues pruned to eliminate duplicates Z: 15 20.022 1.924 0.686 0.911 0.929 0.929 CB 1.259 15 residues pruned to eliminate duplicates Z: 15 23.926 2.097 1.053 0.916 1.000 0.929 CB 1.049 15 residues pruned to eliminate duplicates Z: 25 26.503 1.958 0.749 0.849 0.958 0.500 CB 1.223 25 residues pruned to eliminate duplicates Z: 10 17.943 1.721 0.759 0.908 1.000 0.667 CA 1.403 10 residues pruned to eliminate duplicates Z: 25 17.878 1.722 0.799 0.588 0.917 0.458 CB 1.180 25 residues pruned to eliminate duplicates Z: 17 21.205 1.907 0.533 0.907 1.000 0.938 CB 1.288 17 residues pruned to eliminate duplicates Z: 12 8.963 1.529 0.640 0.810 0.909 0.455 CB 0.905 11 residues pruned to eliminate duplicates Z: 8 2.171 1.317 0.369 0.288 0.571 0.286 C 1.011 8 residues pruned to eliminate duplicates Z: 24 31.830 1.989 0.817 0.931 1.000 0.870 CB 1.284 24 residues pruned to eliminate duplicates Z: 32 22.477 1.970 0.592 0.734 0.871 0.742 CB 1.198 32 residues pruned to eliminate duplicates Z: 21 14.068 1.664 0.688 0.626 0.800 0.600 CB 1.243 21 residues pruned to eliminate duplicates Z: 14 13.660 1.637 0.565 0.848 1.000 0.692 CB 1.097 14 residues pruned to eliminate duplicates Z: 16 13.629 1.749 0.559 0.753 0.800 0.467 CB 1.287 16 residues pruned to eliminate duplicates Z: 24 31.807 2.009 1.119 0.906 1.000 0.739 CB 1.108 24 residues pruned to eliminate duplicates Z: 19 24.995 1.825 0.689 0.852 0.944 0.778 CB 1.497 19 residues pruned to eliminate duplicates Z: 26 34.533 1.926 0.827 0.930 1.000 0.960 CB 1.372 26 residues pruned to eliminate duplicates 8 1.487 1.212 0.701 0.283 0.714 0.429 CB 0.487 ? Z: 9 15.037 1.738 0.920 0.914 1.000 0.625 CB 1.127 9 residues pruned to eliminate duplicates Z: 41 26.258 1.786 0.796 0.749 0.900 0.600 CB 1.151 41 residues pruned to eliminate duplicates Z: 12 14.165 1.709 0.944 0.865 0.909 0.545 CB 1.036 12 residues pruned to eliminate duplicates Z: 25 22.008 1.839 0.413 0.907 1.000 0.875 CB 1.229 25 residues pruned to eliminate duplicates Z: 7 5.074 1.664 0.929 0.726 0.667 0.500 CB 0.790 7 residues pruned to eliminate duplicates Z: 23 22.103 1.845 0.662 0.737 0.955 0.864 CB 1.301 21 residues pruned to eliminate duplicates Z: 18 15.990 1.749 0.972 0.875 0.941 0.412 CB 0.869 18 residues pruned to eliminate duplicates Z: 13 16.435 1.751 0.471 0.911 1.000 0.917 CB 1.305 15 residues pruned to eliminate duplicates Z: 9 12.462 1.663 0.711 0.819 0.875 0.750 CA 1.342 9 residues pruned to eliminate duplicates Z: 8 6.765 1.723 0.580 0.834 0.857 0.714 CB 0.821 8 residues pruned to eliminate duplicates Z: 27 37.236 2.025 0.856 0.852 0.962 0.923 CB 1.494 35 residues pruned to eliminate duplicates Z: 24 20.015 1.712 0.706 0.801 0.957 0.783 CB 1.148 24 residues pruned to eliminate duplicates Z: 15 9.658 1.692 0.453 0.678 0.786 0.643 CB 1.134 15 residues pruned to eliminate duplicates Z: 10 11.509 1.670 0.833 0.910 1.000 0.778 CB 0.889 10 residues pruned to eliminate duplicates Z: 10 17.135 1.718 0.960 0.864 1.000 0.667 CB 1.243 10 residues pruned to eliminate duplicates Z: 16 22.306 2.061 0.733 0.906 1.000 0.867 CB 1.147 16 residues pruned to eliminate duplicates Z: 24 27.837 1.980 0.625 0.937 1.000 0.957 CB 1.256 24 residues pruned to eliminate duplicates Z: 13 5.157 1.388 0.442 0.339 0.833 0.250 CB 1.064 12 residues pruned to eliminate duplicates Z: 19 15.767 1.907 0.091 0.807 1.000 0.833 CB 1.367 19 residues pruned to eliminate duplicates Z: 15 17.367 1.806 0.758 0.792 0.929 0.643 CB 1.219 15 residues pruned to eliminate duplicates Z: 99 42.900 1.808 0.838 0.710 0.898 0.592 CB 1.200 99 residues pruned to eliminate duplicates Z: 9 3.664 1.427 0.545 0.406 0.875 0.375 CB 0.741 Z: 7 5.313 1.513 0.824 0.785 0.833 0.500 CB 0.734 7 residues pruned to eliminate duplicates Z: 8 3.134 1.589 -0.100 0.440 0.857 0.714 CB 1.028 Z: 18 23.503 1.864 1.005 0.910 1.000 0.706 CB 1.082 18 residues pruned to eliminate duplicates Z: 25 22.822 1.861 0.494 0.925 1.000 0.875 CB 1.176 25 residues pruned to eliminate duplicates Z: 17 12.175 1.537 0.898 0.861 0.812 0.625 CB 0.944 17 residues pruned to eliminate duplicates Z: 42 24.084 1.902 0.516 0.726 0.878 0.683 CB 1.212 42 residues pruned to eliminate duplicates Z: 55 28.002 1.825 0.572 0.728 0.889 0.630 CB 1.216 50 residues pruned to eliminate duplicates Z: 9 2.357 1.202 0.108 0.462 0.750 0.500 CB 0.867 9 residues pruned to eliminate duplicates Z: 27 18.557 1.727 0.575 0.853 0.923 0.654 CB 1.071 27 residues pruned to eliminate duplicates Z: 24 16.679 1.712 0.356 0.727 0.913 0.696 CB 1.338 18 residues pruned to eliminate duplicates Z: 7 3.773 1.395 0.743 0.355 0.667 0.500 N 1.111 Z: 11 6.520 1.590 0.415 0.568 1.000 0.600 CB 0.859 8 residues pruned to eliminate duplicates 8 1.327 1.173 0.542 0.212 0.714 0.429 CB 0.546 ? 6 0.691 1.577 0.104 0.493 0.600 0.400 CB 0.298 ? Z: 6 4.183 1.584 0.536 0.838 1.000 0.600 CB 0.575 Z: 18 25.018 1.956 0.632 0.851 1.000 0.941 CB 1.407 18 residues pruned to eliminate duplicates Z: 11 8.163 1.536 0.624 0.721 0.900 0.600 CB 0.942 11 residues pruned to eliminate duplicates Z: 6 2.207 1.564 -0.085 0.109 1.000 0.600 N 1.132 Z: 9 3.523 1.254 0.576 0.474 0.750 0.375 N 0.864 Z: 13 8.801 1.974 0.141 0.657 0.917 0.833 CB 1.063 13 residues pruned to eliminate duplicates Z: 9 8.343 1.609 0.706 0.770 1.000 0.500 CB 0.846 9 residues pruned to eliminate duplicates 361 residues left after pruning, divided into chains as follows: A: 25 B: 31 C: 17 D: 8 E: 8 F: 27 G: 10 H: 10 I: 26 J: 125 K: 55 L: 19 CC for partial structure against native data = 45.52 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.439, Connect. = 0.693 for dens.mod. cycle 1 = 0.300, Contrast = 0.509, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.613, Connect. = 0.750 for dens.mod. cycle 3 = 0.300, Contrast = 0.627, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.641, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.647, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.654, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.657, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.660, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.662, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1216 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 374 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 32.335 2.107 0.864 0.929 1.000 0.933 CB 1.487 B: 16 25.361 2.104 0.543 0.932 1.000 0.867 CB 1.408 C: 27 35.531 2.003 0.708 0.922 0.962 0.923 CB 1.489 D: 15 33.903 2.158 0.858 0.932 1.000 0.857 CB 1.578 15 residues pruned to eliminate duplicates E: 26 34.270 2.038 0.535 0.884 1.000 0.800 CB 1.583 F: 24 42.523 2.083 0.887 0.922 1.000 0.783 CB 1.587 24 residues pruned to eliminate duplicates G: 17 29.374 2.024 0.742 0.893 1.000 0.812 CB 1.496 17 residues pruned to eliminate duplicates H: 25 37.662 2.128 0.542 0.942 1.000 0.833 CB 1.625 26 residues pruned to eliminate duplicates I: 16 34.448 2.100 0.931 0.930 1.000 0.867 CB 1.533 15 residues pruned to eliminate duplicates J: 15 29.988 2.135 0.743 0.935 0.929 0.786 CB 1.616 15 residues pruned to eliminate duplicates K: 24 38.691 2.117 0.698 0.910 1.000 0.913 CB 1.592 27 residues pruned to eliminate duplicates L: 26 36.658 2.087 0.664 0.889 0.960 0.920 CB 1.583 26 residues pruned to eliminate duplicates M: 24 33.962 2.085 0.643 0.917 1.000 0.826 CB 1.459 N: 16 28.243 2.130 0.806 0.879 1.000 0.800 CB 1.375 16 residues pruned to eliminate duplicates O: 17 24.418 1.934 0.491 0.914 1.000 0.875 CA 1.497 P: 25 39.276 2.116 0.715 0.936 0.958 0.875 CB 1.606 25 residues pruned to eliminate duplicates Q: 14 22.143 1.922 0.713 0.847 1.000 0.615 CB 1.385 R: 23 34.839 2.153 0.772 0.922 0.955 0.864 CB 1.435 23 residues pruned to eliminate duplicates S: 27 31.008 1.837 0.775 0.938 1.000 0.808 CB 1.297 T: 18 32.117 1.936 1.028 0.938 1.000 0.765 CB 1.379 18 residues pruned to eliminate duplicates U: 25 29.428 2.071 0.511 0.935 1.000 0.917 CB 1.338 25 residues pruned to eliminate duplicates V: 16 26.959 2.022 0.517 0.915 1.000 0.867 CB 1.605 16 residues pruned to eliminate duplicates W: 26 39.116 2.089 0.686 0.913 1.000 0.960 CB 1.572 24 residues pruned to eliminate duplicates X: 16 27.470 2.105 0.580 0.878 1.000 0.867 CB 1.547 16 residues pruned to eliminate duplicates Y: 26 30.711 2.031 0.724 0.896 0.960 0.680 CB 1.309 26 residues pruned to eliminate duplicates Z: 16 31.738 2.056 1.011 0.928 1.000 0.667 CB 1.387 16 residues pruned to eliminate duplicates Z: 13 22.385 2.014 0.699 0.861 0.833 0.833 CA 1.665 Z: 23 34.758 2.075 0.866 0.905 1.000 0.864 CB 1.363 23 residues pruned to eliminate duplicates Z: 25 32.098 2.086 0.617 0.904 1.000 0.833 CB 1.383 25 residues pruned to eliminate duplicates Z: 26 44.435 2.106 1.020 0.929 0.920 0.880 CB 1.588 25 residues pruned to eliminate duplicates Z: 27 34.383 2.038 0.877 0.887 1.000 0.885 CB 1.270 26 residues pruned to eliminate duplicates Z: 26 39.232 2.085 0.944 0.889 0.960 0.920 CB 1.452 26 residues pruned to eliminate duplicates Z: 12 21.756 1.991 0.421 0.870 1.000 0.727 CA 1.692 12 residues pruned to eliminate duplicates Z: 27 23.413 1.847 0.555 0.863 0.962 0.692 CB 1.220 12 residues pruned to eliminate duplicates Z: 25 40.050 2.133 0.746 0.913 1.000 0.833 CB 1.552 25 residues pruned to eliminate duplicates Z: 31 36.458 2.011 0.742 0.862 0.933 0.833 CB 1.495 31 residues pruned to eliminate duplicates Z: 19 27.232 2.013 0.434 0.907 1.000 0.944 CB 1.580 17 residues pruned to eliminate duplicates Z: 25 46.145 2.128 1.038 0.941 1.000 0.625 CB 1.507 26 residues pruned to eliminate duplicates Z: 25 43.430 2.136 0.813 0.932 1.000 0.958 CB 1.600 25 residues pruned to eliminate duplicates Z: 24 30.988 2.087 0.738 0.938 1.000 0.783 CB 1.238 24 residues pruned to eliminate duplicates Z: 24 26.797 1.936 0.762 0.851 1.000 0.696 CB 1.213 24 residues pruned to eliminate duplicates Z: 24 27.038 2.011 0.435 0.924 1.000 0.957 CB 1.372 24 residues pruned to eliminate duplicates Z: 18 27.311 1.937 0.789 0.830 1.000 0.529 CB 1.437 18 residues pruned to eliminate duplicates Z: 27 36.698 2.071 0.701 0.909 0.962 0.885 CA 1.507 27 residues pruned to eliminate duplicates Z: 12 15.666 1.879 0.432 0.870 1.000 0.727 CB 1.281 Z: 16 28.605 2.179 0.857 0.917 0.933 0.800 CB 1.380 16 residues pruned to eliminate duplicates Z: 24 27.612 1.953 0.426 0.890 1.000 0.913 CB 1.487 26 residues pruned to eliminate duplicates Z: 26 28.018 1.787 0.722 0.904 0.960 0.880 CB 1.350 25 residues pruned to eliminate duplicates Z: 13 14.884 1.817 0.661 0.733 0.833 0.417 CB 1.385 13 residues pruned to eliminate duplicates Z: 20 26.200 1.925 0.502 0.919 1.000 0.947 CB 1.466 Z: 26 34.783 2.048 0.575 0.896 0.960 0.800 CB 1.609 26 residues pruned to eliminate duplicates Z: 15 29.694 2.116 0.930 0.933 1.000 0.786 CB 1.356 15 residues pruned to eliminate duplicates Z: 30 29.053 1.890 0.616 0.866 1.000 0.862 CB 1.293 19 residues pruned to eliminate duplicates Z: 26 21.092 1.892 0.489 0.810 0.960 0.560 CB 1.190 26 residues pruned to eliminate duplicates Z: 30 38.193 1.926 1.103 0.939 0.966 0.517 CB 1.260 30 residues pruned to eliminate duplicates Z: 20 25.661 1.941 0.608 0.884 1.000 0.842 CB 1.362 Z: 17 29.390 1.959 0.655 0.934 1.000 1.000 CB 1.581 17 residues pruned to eliminate duplicates Z: 27 32.177 1.910 0.796 0.931 1.000 0.731 CB 1.285 27 residues pruned to eliminate duplicates Z: 24 40.734 2.108 0.795 0.912 1.000 0.957 CB 1.589 24 residues pruned to eliminate duplicates Z: 15 23.192 1.991 0.685 0.906 0.929 0.857 CB 1.415 15 residues pruned to eliminate duplicates Z: 30 27.087 1.889 0.620 0.844 0.966 0.793 CB 1.267 31 residues pruned to eliminate duplicates Z: 25 24.923 2.029 0.276 0.910 1.000 0.875 CB 1.394 24 residues pruned to eliminate duplicates Z: 17 22.849 2.083 0.300 0.908 1.000 0.938 CA 1.497 16 residues pruned to eliminate duplicates Z: 26 44.267 2.096 0.991 0.900 0.960 0.760 CB 1.579 26 residues pruned to eliminate duplicates Z: 27 33.928 2.036 0.561 0.897 1.000 0.846 CA 1.498 27 residues pruned to eliminate duplicates Z: 20 31.192 1.885 0.934 0.861 0.947 0.789 CB 1.523 20 residues pruned to eliminate duplicates Z: 14 17.167 1.938 0.560 0.780 0.769 0.692 CA 1.600 14 residues pruned to eliminate duplicates Z: 11 13.637 1.806 0.494 0.886 1.000 0.800 CB 1.153 Z: 27 28.779 1.827 0.580 0.930 1.000 0.923 CB 1.367 27 residues pruned to eliminate duplicates Z: 20 28.888 1.969 0.638 0.928 1.000 0.789 CB 1.439 20 residues pruned to eliminate duplicates Z: 26 36.537 2.084 0.591 0.916 1.000 0.920 CA 1.556 26 residues pruned to eliminate duplicates Z: 10 14.359 1.986 0.289 0.917 1.000 0.444 CB 1.319 Z: 17 18.854 1.899 0.383 0.919 1.000 1.000 CB 1.265 17 residues pruned to eliminate duplicates Z: 17 28.549 1.964 0.908 0.939 1.000 1.000 CB 1.324 17 residues pruned to eliminate duplicates Z: 13 23.155 2.006 0.463 0.861 1.000 0.667 CA 1.674 13 residues pruned to eliminate duplicates Z: 26 35.891 2.078 0.665 0.856 0.960 0.760 CB 1.593 26 residues pruned to eliminate duplicates Z: 27 44.758 2.105 0.971 0.918 1.000 1.000 CB 1.492 27 residues pruned to eliminate duplicates Z: 10 15.628 1.983 0.678 0.911 1.000 0.778 CB 1.110 10 residues pruned to eliminate duplicates Z: 26 29.149 1.931 0.784 0.883 1.000 0.840 CB 1.223 26 residues pruned to eliminate duplicates Z: 15 19.061 1.946 0.298 0.907 1.000 0.857 CB 1.433 15 residues pruned to eliminate duplicates Z: 29 31.985 1.978 0.703 0.892 0.893 0.857 CB 1.444 29 residues pruned to eliminate duplicates Z: 10 12.596 1.664 0.486 0.877 1.000 0.889 CB 1.232 Z: 15 11.952 1.716 0.352 0.886 0.929 0.714 CB 1.070 Z: 30 18.253 1.744 0.403 0.855 0.931 0.655 CB 1.098 26 residues pruned to eliminate duplicates Z: 23 35.377 2.106 0.634 0.923 0.955 0.773 CB 1.614 23 residues pruned to eliminate duplicates Z: 26 38.709 2.088 0.900 0.883 0.920 0.720 CB 1.534 26 residues pruned to eliminate duplicates Z: 16 27.279 2.152 0.705 0.915 1.000 0.800 CB 1.357 16 residues pruned to eliminate duplicates Z: 13 17.420 1.950 0.546 0.766 0.833 0.667 N 1.581 13 residues pruned to eliminate duplicates Z: 20 19.207 1.814 0.303 0.901 1.000 0.789 CB 1.331 20 residues pruned to eliminate duplicates Z: 25 33.381 2.093 0.564 0.902 0.958 0.917 CB 1.549 25 residues pruned to eliminate duplicates Z: 22 22.539 1.834 0.460 0.900 1.000 0.857 CB 1.313 22 residues pruned to eliminate duplicates Z: 24 28.813 2.039 0.539 0.919 1.000 0.826 CB 1.349 24 residues pruned to eliminate duplicates Z: 14 13.840 1.714 0.446 0.877 0.923 0.692 CB 1.219 Z: 15 29.520 2.162 1.017 0.916 0.929 0.643 CB 1.375 15 residues pruned to eliminate duplicates Z: 25 27.076 2.040 0.455 0.918 0.958 0.875 CB 1.370 25 residues pruned to eliminate duplicates Z: 15 26.742 2.082 0.465 0.901 1.000 1.000 CB 1.672 15 residues pruned to eliminate duplicates Z: 18 30.421 1.913 0.777 0.916 1.000 0.824 CB 1.532 18 residues pruned to eliminate duplicates Z: 25 29.768 1.925 0.752 0.882 1.000 0.667 CB 1.303 25 residues pruned to eliminate duplicates Z: 26 23.097 1.887 0.460 0.897 1.000 0.800 CB 1.200 26 residues pruned to eliminate duplicates Z: 17 22.958 1.932 0.627 0.908 0.938 0.875 CB 1.384 17 residues pruned to eliminate duplicates Z: 10 10.583 1.704 0.393 0.800 0.889 0.778 CB 1.285 10 residues pruned to eliminate duplicates Z: 20 23.113 1.868 0.767 0.921 0.947 0.895 CB 1.193 20 residues pruned to eliminate duplicates Z: 21 27.204 1.949 0.494 0.925 1.000 0.800 CB 1.466 21 residues pruned to eliminate duplicates Z: 26 34.011 1.968 0.798 0.929 1.000 0.560 CB 1.345 26 residues pruned to eliminate duplicates Z: 26 27.271 1.809 0.726 0.888 0.960 0.720 CB 1.311 26 residues pruned to eliminate duplicates Z: 17 26.066 2.126 0.423 0.900 1.000 0.938 CA 1.538 17 residues pruned to eliminate duplicates Z: 26 43.769 2.081 0.955 0.898 1.000 0.680 CB 1.540 26 residues pruned to eliminate duplicates Z: 20 29.467 1.938 0.793 0.872 0.947 0.842 CB 1.498 21 residues pruned to eliminate duplicates Z: 20 31.916 1.938 0.917 0.830 0.947 0.632 CB 1.565 20 residues pruned to eliminate duplicates Z: 12 19.117 1.977 0.469 0.893 0.909 0.636 CB 1.567 12 residues pruned to eliminate duplicates Z: 16 27.010 2.042 0.682 0.907 0.933 0.733 CB 1.546 16 residues pruned to eliminate duplicates Z: 27 39.129 2.068 0.888 0.904 1.000 0.885 CB 1.400 27 residues pruned to eliminate duplicates Z: 18 28.917 1.965 0.708 0.946 1.000 0.941 CB 1.445 18 residues pruned to eliminate duplicates Z: 15 14.493 1.760 0.401 0.874 1.000 0.929 CB 1.143 14 residues pruned to eliminate duplicates Z: 28 38.071 1.929 1.186 0.943 1.000 0.370 CB 1.204 28 residues pruned to eliminate duplicates Z: 7 10.720 1.830 0.558 0.879 1.000 0.833 CB 1.112 Z: 19 22.651 1.880 0.677 0.906 1.000 0.778 CB 1.205 19 residues pruned to eliminate duplicates Z: 27 25.419 2.026 0.201 0.915 1.000 1.000 CA 1.447 27 residues pruned to eliminate duplicates Z: 15 33.076 2.126 0.945 0.947 1.000 0.714 CB 1.478 15 residues pruned to eliminate duplicates Z: 25 34.871 2.086 0.634 0.864 1.000 0.750 CB 1.532 25 residues pruned to eliminate duplicates Z: 27 30.611 2.052 0.527 0.857 0.962 0.769 CB 1.468 27 residues pruned to eliminate duplicates Z: 28 28.473 1.853 0.691 0.893 0.963 0.741 CB 1.304 28 residues pruned to eliminate duplicates Z: 25 36.100 2.059 1.013 0.901 1.000 0.833 CB 1.269 24 residues pruned to eliminate duplicates Z: 25 30.979 2.075 0.588 0.922 1.000 0.917 CB 1.350 25 residues pruned to eliminate duplicates Z: 20 28.328 1.933 0.837 0.915 1.000 0.842 CB 1.294 20 residues pruned to eliminate duplicates Z: 16 20.198 2.036 0.328 0.896 1.000 0.867 CA 1.382 16 residues pruned to eliminate duplicates Z: 21 29.345 1.931 0.800 0.884 0.950 0.950 CB 1.436 21 residues pruned to eliminate duplicates Z: 31 32.660 1.972 0.661 0.875 0.967 0.833 CB 1.369 27 residues pruned to eliminate duplicates Z: 25 39.021 2.056 0.962 0.897 1.000 0.667 CB 1.413 30 residues pruned to eliminate duplicates Z: 11 13.863 1.668 0.534 0.846 1.000 0.800 CA 1.273 Z: 30 27.844 1.971 0.528 0.834 0.828 0.690 CB 1.554 30 residues pruned to eliminate duplicates Z: 31 18.600 1.722 0.368 0.861 0.933 0.767 CB 1.135 31 residues pruned to eliminate duplicates Z: 8 8.114 1.663 0.560 0.771 1.000 0.714 CB 0.930 8 residues pruned to eliminate duplicates Z: 6 3.012 1.473 0.617 0.475 0.800 0.400 N 0.725 Z: 20 29.891 1.960 0.851 0.931 0.947 0.737 CB 1.395 20 residues pruned to eliminate duplicates Z: 25 44.134 2.096 1.292 0.910 0.917 0.417 CB 1.451 25 residues pruned to eliminate duplicates Z: 9 9.709 1.811 0.356 0.712 1.000 0.625 CB 1.154 5 residues pruned to eliminate duplicates Z: 16 31.109 2.075 0.923 0.904 1.000 0.933 CB 1.434 16 residues pruned to eliminate duplicates Z: 20 16.943 1.914 0.207 0.923 0.947 0.947 CB 1.248 20 residues pruned to eliminate duplicates Z: 7 4.558 1.632 0.192 0.539 0.833 0.667 CB 1.105 Z: 19 33.553 1.980 0.994 0.936 1.000 0.667 CB 1.395 19 residues pruned to eliminate duplicates Z: 15 14.107 1.685 0.816 0.886 0.929 0.786 CB 0.957 14 residues pruned to eliminate duplicates Z: 17 30.239 2.127 0.741 0.939 1.000 0.812 CB 1.418 17 residues pruned to eliminate duplicates Z: 26 43.593 2.112 1.016 0.894 0.960 0.840 CB 1.531 26 residues pruned to eliminate duplicates Z: 19 30.469 1.993 0.689 0.881 0.944 0.722 CB 1.635 19 residues pruned to eliminate duplicates Z: 18 31.525 1.976 0.810 0.868 1.000 0.765 CB 1.563 18 residues pruned to eliminate duplicates Z: 15 21.535 1.912 0.776 0.906 1.000 0.857 CB 1.205 15 residues pruned to eliminate duplicates Z: 29 21.003 1.781 0.575 0.881 0.964 0.643 CB 1.062 29 residues pruned to eliminate duplicates Z: 26 44.348 2.071 1.044 0.915 0.960 0.680 CB 1.542 26 residues pruned to eliminate duplicates Z: 26 25.812 1.823 0.402 0.928 1.000 0.880 CB 1.414 26 residues pruned to eliminate duplicates Z: 23 41.019 2.118 1.076 0.942 1.000 0.545 CB 1.379 25 residues pruned to eliminate duplicates Z: 9 9.133 1.966 0.003 0.906 1.000 1.000 CB 1.165 9 residues pruned to eliminate duplicates Z: 15 26.393 1.991 0.891 0.916 0.929 0.643 CB 1.425 15 residues pruned to eliminate duplicates Z: 8 18.213 1.952 0.576 0.840 1.000 0.714 N 1.670 8 residues pruned to eliminate duplicates Z: 16 26.550 2.032 0.627 0.928 1.000 0.867 CB 1.451 16 residues pruned to eliminate duplicates Z: 12 9.798 1.874 0.356 0.848 0.636 0.273 CB 1.355 12 residues pruned to eliminate duplicates Z: 10 12.505 1.781 0.295 0.919 1.000 1.000 CB 1.274 10 residues pruned to eliminate duplicates Z: 19 33.586 1.930 0.946 0.904 1.000 0.778 CB 1.501 19 residues pruned to eliminate duplicates Z: 9 13.501 1.808 0.638 0.812 1.000 0.625 CB 1.228 9 residues pruned to eliminate duplicates Z: 15 27.834 2.139 0.656 0.942 1.000 0.857 CB 1.456 15 residues pruned to eliminate duplicates Z: 25 24.507 1.961 0.254 0.894 1.000 0.958 CB 1.459 25 residues pruned to eliminate duplicates Z: 26 47.976 2.094 1.182 0.906 0.960 0.840 CB 1.556 25 residues pruned to eliminate duplicates Z: 10 10.886 1.988 -0.056 0.925 1.000 1.000 CB 1.357 10 residues pruned to eliminate duplicates Z: 47 26.452 1.834 0.667 0.607 0.870 0.543 CB 1.326 46 residues pruned to eliminate duplicates Z: 12 13.816 1.857 0.492 0.853 0.818 0.727 CB 1.358 12 residues pruned to eliminate duplicates Z: 16 24.256 2.160 0.422 0.911 1.000 0.867 CB 1.445 16 residues pruned to eliminate duplicates Z: 28 20.238 1.764 0.830 0.798 0.889 0.704 CB 1.046 28 residues pruned to eliminate duplicates Z: 25 31.676 2.062 0.631 0.876 0.958 0.833 CB 1.458 25 residues pruned to eliminate duplicates Z: 15 26.486 2.098 0.756 0.876 0.929 0.714 CB 1.504 15 residues pruned to eliminate duplicates Z: 20 23.756 1.827 1.066 0.872 0.947 0.684 CB 1.111 20 residues pruned to eliminate duplicates Z: 19 18.343 1.876 0.263 0.860 0.944 0.889 CA 1.420 19 residues pruned to eliminate duplicates Z: 21 24.175 1.961 0.368 0.924 1.000 1.000 CB 1.415 21 residues pruned to eliminate duplicates Z: 12 13.990 1.611 0.787 0.786 1.000 0.727 CB 1.139 11 residues pruned to eliminate duplicates Z: 10 20.655 1.748 0.949 0.894 1.000 0.889 CB 1.450 12 residues pruned to eliminate duplicates Z: 16 26.290 2.014 0.429 0.937 1.000 0.933 CA 1.641 16 residues pruned to eliminate duplicates Z: 9 11.221 1.757 0.499 0.837 0.875 0.750 CB 1.288 9 residues pruned to eliminate duplicates Z: 30 31.597 1.926 0.844 0.889 0.966 0.690 CB 1.232 30 residues pruned to eliminate duplicates Z: 23 31.056 2.105 0.617 0.923 0.955 0.909 CB 1.432 23 residues pruned to eliminate duplicates Z: 33 39.867 1.969 0.888 0.856 0.938 0.750 CB 1.492 33 residues pruned to eliminate duplicates Z: 24 35.588 2.106 0.878 0.927 1.000 0.696 CB 1.315 24 residues pruned to eliminate duplicates Z: 33 27.018 2.023 0.503 0.759 0.938 0.812 CB 1.331 25 residues pruned to eliminate duplicates Z: 10 18.498 1.724 0.840 0.898 1.000 0.667 CB 1.391 10 residues pruned to eliminate duplicates Z: 9 13.316 2.095 0.272 0.908 1.000 0.875 CB 1.255 9 residues pruned to eliminate duplicates Z: 23 24.422 2.060 0.312 0.910 1.000 0.864 CB 1.366 23 residues pruned to eliminate duplicates Z: 10 17.537 2.028 0.586 0.915 1.000 0.667 CB 1.285 10 residues pruned to eliminate duplicates Z: 26 35.999 1.972 1.132 0.935 0.920 0.520 CB 1.297 26 residues pruned to eliminate duplicates Z: 28 35.948 1.906 1.115 0.946 0.963 0.444 CB 1.233 28 residues pruned to eliminate duplicates Z: 16 20.914 2.077 0.268 0.917 1.000 0.933 CB 1.447 16 residues pruned to eliminate duplicates Z: 13 16.945 1.799 0.465 0.899 1.000 0.583 CB 1.327 15 residues pruned to eliminate duplicates Z: 16 14.737 1.764 0.371 0.828 0.933 0.800 CB 1.269 16 residues pruned to eliminate duplicates Z: 13 22.745 2.001 0.681 0.906 1.000 0.917 CB 1.389 13 residues pruned to eliminate duplicates Z: 17 24.553 1.883 0.752 0.884 0.938 0.750 CA 1.434 17 residues pruned to eliminate duplicates Z: 14 23.946 2.013 1.199 0.919 0.846 0.615 CB 1.249 15 residues pruned to eliminate duplicates Z: 21 26.887 1.919 0.751 0.880 0.950 0.600 CB 1.365 21 residues pruned to eliminate duplicates Z: 10 18.075 2.037 0.315 0.867 1.000 0.889 CA 1.644 10 residues pruned to eliminate duplicates Z: 30 32.173 1.932 0.855 0.891 0.966 0.690 CB 1.241 30 residues pruned to eliminate duplicates Z: 20 29.170 1.910 0.727 0.929 1.000 0.895 CB 1.420 20 residues pruned to eliminate duplicates Z: 29 33.356 1.933 0.930 0.917 1.000 0.679 CB 1.192 29 residues pruned to eliminate duplicates Z: 30 29.857 1.927 0.507 0.907 0.966 0.828 CB 1.406 29 residues pruned to eliminate duplicates Z: 7 9.872 1.791 0.391 0.848 1.000 1.000 CB 1.200 7 residues pruned to eliminate duplicates Z: 16 25.768 1.990 0.508 0.911 1.000 1.000 CB 1.572 16 residues pruned to eliminate duplicates Z: 27 28.937 2.011 0.351 0.919 1.000 0.885 CA 1.471 27 residues pruned to eliminate duplicates Z: 24 37.760 2.125 0.857 0.884 1.000 0.739 CB 1.442 24 residues pruned to eliminate duplicates Z: 24 40.437 2.092 1.068 0.930 0.957 0.696 CB 1.425 32 residues pruned to eliminate duplicates Z: 10 17.905 1.783 0.744 0.829 1.000 0.778 CB 1.444 10 residues pruned to eliminate duplicates Z: 12 8.574 1.733 0.446 0.759 0.727 0.364 CB 1.127 12 residues pruned to eliminate duplicates Z: 13 19.822 2.033 0.559 0.769 0.833 0.750 CA 1.707 13 residues pruned to eliminate duplicates Z: 21 30.204 1.940 0.748 0.759 1.000 0.600 CB 1.582 21 residues pruned to eliminate duplicates Z: 25 33.837 2.029 0.874 0.893 1.000 0.625 CB 1.304 24 residues pruned to eliminate duplicates Z: 26 38.066 2.069 0.947 0.907 0.960 0.760 CB 1.399 26 residues pruned to eliminate duplicates Z: 10 10.368 1.817 0.499 0.880 0.889 0.778 CB 1.034 10 residues pruned to eliminate duplicates Z: 9 17.305 2.029 0.705 0.920 1.000 1.000 CB 1.246 10 residues pruned to eliminate duplicates Z: 28 29.729 1.794 0.628 0.890 0.963 0.815 CB 1.464 28 residues pruned to eliminate duplicates Z: 26 27.567 1.811 0.884 0.899 0.960 0.640 CB 1.203 26 residues pruned to eliminate duplicates Z: 30 38.380 1.996 0.829 0.905 0.966 0.828 CB 1.440 30 residues pruned to eliminate duplicates Z: 27 36.699 2.071 0.745 0.923 1.000 0.923 CB 1.399 26 residues pruned to eliminate duplicates Z: 15 18.283 1.858 0.816 0.737 0.786 0.714 CA 1.489 15 residues pruned to eliminate duplicates Z: 11 13.738 1.817 0.462 0.916 1.000 0.900 CB 1.155 11 residues pruned to eliminate duplicates Z: 26 24.842 1.877 0.447 0.904 1.000 0.960 CB 1.302 26 residues pruned to eliminate duplicates Z: 8 10.418 1.773 0.620 0.848 1.000 0.571 CB 1.017 8 residues pruned to eliminate duplicates Z: 14 16.414 1.999 0.618 0.804 1.000 0.615 CB 1.079 14 residues pruned to eliminate duplicates Z: 31 19.564 1.749 0.528 0.859 0.933 0.600 CB 1.054 31 residues pruned to eliminate duplicates Z: 6 3.777 1.788 0.719 0.764 0.600 0.600 CB 0.725 6 residues pruned to eliminate duplicates Z: 19 20.721 1.919 0.332 0.908 0.944 0.944 CA 1.437 19 residues pruned to eliminate duplicates Z: 29 17.844 1.810 0.823 0.550 0.857 0.536 CB 1.135 36 residues pruned to eliminate duplicates Z: 6 12.813 1.828 1.218 0.878 1.000 0.800 CB 1.026 6 residues pruned to eliminate duplicates Z: 18 22.299 1.941 0.436 0.913 1.000 0.882 CB 1.373 18 residues pruned to eliminate duplicates Z: 27 18.597 1.900 0.425 0.774 0.846 0.692 CB 1.249 27 residues pruned to eliminate duplicates Z: 30 35.253 1.955 1.052 0.904 0.966 0.586 CB 1.203 30 residues pruned to eliminate duplicates Z: 20 24.046 1.914 0.458 0.843 0.947 0.789 CB 1.554 20 residues pruned to eliminate duplicates Z: 26 34.017 2.079 0.678 0.902 0.960 0.960 CB 1.449 26 residues pruned to eliminate duplicates Z: 12 11.048 1.820 0.599 0.836 1.000 0.636 CB 0.857 12 residues pruned to eliminate duplicates Z: 14 16.448 1.805 0.541 0.858 1.000 0.846 CB 1.208 14 residues pruned to eliminate duplicates Z: 17 22.469 1.964 0.377 0.921 1.000 0.812 CA 1.463 17 residues pruned to eliminate duplicates Z: 30 17.599 1.730 0.401 0.864 0.966 0.690 CB 1.023 30 residues pruned to eliminate duplicates Z: 18 24.615 1.960 0.534 0.925 0.941 0.824 CB 1.480 18 residues pruned to eliminate duplicates Z: 25 42.920 2.144 0.907 0.916 1.000 0.833 CB 1.513 25 residues pruned to eliminate duplicates Z: 13 12.841 1.631 0.250 0.908 1.000 0.833 CB 1.292 13 residues pruned to eliminate duplicates Z: 20 28.270 1.931 0.612 0.927 1.000 0.895 CB 1.460 20 residues pruned to eliminate duplicates Z: 26 31.378 1.851 0.953 0.906 0.960 0.560 CB 1.286 28 residues pruned to eliminate duplicates Z: 29 32.069 1.924 0.792 0.864 0.964 0.643 CB 1.336 31 residues pruned to eliminate duplicates Z: 10 14.872 1.731 0.726 0.890 1.000 0.778 CB 1.194 10 residues pruned to eliminate duplicates Z: 7 9.825 1.897 0.772 0.833 0.833 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 27 35.234 2.064 0.796 0.902 0.962 0.769 CB 1.382 27 residues pruned to eliminate duplicates Z: 6 5.710 1.559 0.442 0.671 0.800 0.800 CB 1.213 Z: 19 25.317 1.948 0.645 0.904 1.000 0.667 CB 1.326 19 residues pruned to eliminate duplicates Z: 26 28.270 2.052 0.586 0.895 0.960 0.800 CB 1.297 26 residues pruned to eliminate duplicates Z: 8 3.313 1.253 0.608 0.379 0.857 0.429 N 0.825 Z: 23 33.893 1.966 1.027 0.910 1.000 0.636 CB 1.286 23 residues pruned to eliminate duplicates Z: 19 29.379 1.949 0.885 0.887 0.944 0.556 CB 1.439 19 residues pruned to eliminate duplicates Z: 8 10.070 1.675 0.267 0.757 1.000 0.714 CB 1.427 8 residues pruned to eliminate duplicates Z: 8 2.607 1.599 0.280 0.522 0.857 0.571 CB 0.550 Z: 32 21.207 1.950 0.487 0.720 0.903 0.677 CB 1.193 32 residues pruned to eliminate duplicates Z: 8 4.017 1.535 0.100 0.341 0.857 0.571 CB 1.247 Z: 10 20.766 2.078 0.623 0.835 0.889 0.889 N 1.729 10 residues pruned to eliminate duplicates Z: 11 13.595 1.799 0.878 0.856 1.000 0.500 CB 0.939 12 residues pruned to eliminate duplicates Z: 26 38.620 2.075 0.801 0.894 1.000 0.800 CB 1.483 26 residues pruned to eliminate duplicates Z: 13 17.178 1.787 0.492 0.919 1.000 1.000 CB 1.311 12 residues pruned to eliminate duplicates Z: 18 24.586 1.941 0.504 0.929 1.000 1.000 CB 1.430 18 residues pruned to eliminate duplicates Z: 11 11.916 1.732 0.369 0.819 1.000 0.800 CB 1.204 11 residues pruned to eliminate duplicates Z: 11 12.842 1.624 0.616 0.799 0.900 0.800 CB 1.324 11 residues pruned to eliminate duplicates Z: 24 36.751 2.084 0.871 0.875 1.000 0.739 CB 1.430 24 residues pruned to eliminate duplicates Z: 10 16.145 1.979 0.668 0.909 1.000 0.444 CB 1.157 10 residues pruned to eliminate duplicates Z: 24 27.543 1.946 0.813 0.854 0.913 0.739 CB 1.317 24 residues pruned to eliminate duplicates Z: 17 19.949 1.911 0.627 0.867 0.812 0.562 CB 1.443 17 residues pruned to eliminate duplicates Z: 17 10.790 1.666 0.463 0.844 0.875 0.625 CB 0.942 17 residues pruned to eliminate duplicates Z: 28 29.580 1.804 0.851 0.885 0.963 0.593 CB 1.279 25 residues pruned to eliminate duplicates Z: 29 28.999 1.965 0.429 0.900 1.000 0.893 CB 1.395 29 residues pruned to eliminate duplicates Z: 7 2.396 1.123 0.116 0.610 0.833 0.500 CB 0.843 Z: 13 13.591 1.664 0.349 0.913 1.000 0.917 CB 1.236 13 residues pruned to eliminate duplicates Z: 16 16.938 1.666 0.472 0.835 1.000 0.600 CB 1.336 18 residues pruned to eliminate duplicates Z: 7 8.523 1.780 0.548 0.823 1.000 1.000 CB 0.955 7 residues pruned to eliminate duplicates Z: 16 27.168 2.141 0.625 0.901 1.000 0.667 CB 1.439 16 residues pruned to eliminate duplicates Z: 15 34.546 2.082 0.888 0.923 1.000 0.857 CB 1.650 15 residues pruned to eliminate duplicates Z: 26 28.992 2.010 0.493 0.881 1.000 0.960 CB 1.400 26 residues pruned to eliminate duplicates Z: 17 5.233 1.730 0.343 0.407 0.875 0.375 CB 0.709 27 residues pruned to eliminate duplicates Z: 6 7.092 1.345 0.759 0.771 1.000 1.000 N 1.055 6 residues pruned to eliminate duplicates Z: 8 7.999 1.618 0.317 0.896 1.000 0.857 CB 1.017 Z: 26 22.872 1.973 0.297 0.898 0.960 0.840 CB 1.331 26 residues pruned to eliminate duplicates Z: 20 26.465 1.887 0.841 0.924 1.000 0.632 CB 1.228 27 residues pruned to eliminate duplicates Z: 25 29.599 1.871 0.814 0.934 0.958 0.792 CB 1.296 25 residues pruned to eliminate duplicates Z: 27 28.483 1.904 0.782 0.857 0.923 0.577 CB 1.314 27 residues pruned to eliminate duplicates Z: 18 27.989 2.012 0.561 0.848 1.000 0.824 CB 1.603 18 residues pruned to eliminate duplicates Z: 15 24.466 2.184 0.521 0.909 1.000 0.643 CB 1.397 15 residues pruned to eliminate duplicates Z: 10 14.807 1.939 0.351 0.896 1.000 0.778 CB 1.350 10 residues pruned to eliminate duplicates Z: 7 6.973 1.622 0.496 0.738 0.833 0.833 CB 1.137 7 residues pruned to eliminate duplicates Z: 23 26.844 1.760 0.874 0.922 1.000 0.591 CB 1.220 23 residues pruned to eliminate duplicates Z: 31 19.420 1.726 0.355 0.860 1.000 0.700 CB 1.115 31 residues pruned to eliminate duplicates Z: 23 47.214 2.178 1.158 0.946 1.000 0.682 CB 1.481 23 residues pruned to eliminate duplicates Z: 26 32.211 2.076 0.445 0.904 1.000 0.880 CB 1.530 26 residues pruned to eliminate duplicates Z: 10 4.385 1.445 0.192 0.795 0.889 0.667 CB 0.737 10 residues pruned to eliminate duplicates Z: 25 12.456 1.708 0.498 0.504 0.917 0.583 CB 1.080 25 residues pruned to eliminate duplicates Z: 19 14.852 1.647 0.445 0.856 1.000 0.667 CB 1.085 19 residues pruned to eliminate duplicates Z: 26 18.672 1.767 0.528 0.877 1.000 0.760 CB 1.005 26 residues pruned to eliminate duplicates Z: 12 13.553 1.788 0.374 0.864 0.909 0.727 CB 1.341 11 residues pruned to eliminate duplicates Z: 12 15.861 1.832 0.646 0.885 1.000 0.818 CB 1.145 12 residues pruned to eliminate duplicates Z: 30 16.622 1.770 0.361 0.870 0.931 0.586 CB 1.005 30 residues pruned to eliminate duplicates Z: 19 16.318 1.718 0.364 0.692 0.944 0.611 CB 1.458 19 residues pruned to eliminate duplicates Z: 6 2.129 1.680 0.032 0.404 0.600 0.600 CB 1.012 Z: 24 46.070 2.151 1.093 0.917 1.000 0.739 CB 1.505 24 residues pruned to eliminate duplicates Z: 19 30.618 1.957 0.748 0.885 1.000 0.833 CB 1.523 19 residues pruned to eliminate duplicates Z: 34 33.800 1.962 0.785 0.771 0.939 0.606 CB 1.407 36 residues pruned to eliminate duplicates Z: 12 12.396 1.893 0.567 0.871 0.909 0.727 CB 1.011 12 residues pruned to eliminate duplicates Z: 14 9.062 1.716 0.332 0.872 1.000 0.769 CB 0.802 14 residues pruned to eliminate duplicates Z: 24 33.409 1.908 0.860 0.926 1.000 0.652 CB 1.376 24 residues pruned to eliminate duplicates Z: 32 27.650 1.919 0.694 0.696 0.935 0.645 CB 1.366 32 residues pruned to eliminate duplicates Z: 10 17.496 1.976 0.482 0.858 1.000 0.889 CB 1.467 10 residues pruned to eliminate duplicates Z: 7 2.941 1.424 0.355 0.557 0.833 0.500 CB 0.706 Z: 9 2.234 1.270 0.526 0.184 0.625 0.250 CB 0.954 8 1.991 1.523 0.458 0.358 0.571 0.571 CB 0.691 ? Z: 23 35.313 1.974 1.125 0.917 1.000 0.364 CB 1.267 23 residues pruned to eliminate duplicates Z: 7 3.712 1.501 0.030 0.590 0.833 0.500 CB 1.079 Z: 7 2.960 1.436 0.388 0.397 0.667 0.500 N 1.013 Z: 21 21.146 1.820 0.438 0.739 1.000 0.900 CB 1.458 21 residues pruned to eliminate duplicates Z: 25 28.362 1.993 0.653 0.889 0.917 0.750 CB 1.380 25 residues pruned to eliminate duplicates Z: 31 20.005 1.746 0.525 0.882 0.933 0.600 CB 1.064 31 residues pruned to eliminate duplicates Z: 9 14.906 1.820 0.459 0.865 1.000 0.750 CB 1.454 9 residues pruned to eliminate duplicates Z: 32 35.834 1.915 0.989 0.896 0.968 0.742 CB 1.250 32 residues pruned to eliminate duplicates 6 1.824 1.649 -0.032 0.288 0.800 0.600 CB 0.811 ? Using tripeptides from previous cycle as seeds Z: 46 27.703 1.900 0.594 0.674 0.956 0.711 CB 1.216 33 residues pruned to eliminate duplicates Z: 28 26.679 1.770 0.444 0.913 1.000 0.741 CB 1.422 28 residues pruned to eliminate duplicates Z: 23 22.395 1.911 0.620 0.729 0.909 0.727 CB 1.381 23 residues pruned to eliminate duplicates Z: 58 25.275 1.834 0.511 0.611 0.947 0.667 CB 1.148 58 residues pruned to eliminate duplicates Z: 46 22.753 1.813 0.511 0.690 0.889 0.689 CB 1.171 46 residues pruned to eliminate duplicates Z: 79 37.402 1.902 0.584 0.678 0.949 0.744 CB 1.258 86 residues pruned to eliminate duplicates Z: 20 34.158 1.973 0.798 0.844 1.000 0.737 CB 1.644 20 residues pruned to eliminate duplicates Z: 43 31.076 1.940 0.767 0.692 0.952 0.738 CB 1.232 43 residues pruned to eliminate duplicates Z: 44 27.325 1.912 0.707 0.664 0.977 0.651 CB 1.123 44 residues pruned to eliminate duplicates Z: 44 29.552 1.940 0.742 0.704 0.930 0.651 CB 1.191 44 residues pruned to eliminate duplicates Z: 35 27.482 1.847 0.835 0.675 0.941 0.588 CB 1.257 35 residues pruned to eliminate duplicates Z: 47 27.593 1.900 0.689 0.645 0.935 0.761 CB 1.184 47 residues pruned to eliminate duplicates Z: 47 31.559 1.927 0.647 0.689 0.957 0.761 CB 1.289 47 residues pruned to eliminate duplicates Z: 27 25.514 1.848 0.845 0.749 0.885 0.500 CB 1.328 27 residues pruned to eliminate duplicates Z: 34 25.772 1.853 0.765 0.679 0.879 0.697 CB 1.324 34 residues pruned to eliminate duplicates Z: 43 33.027 1.944 0.839 0.686 0.976 0.643 CB 1.231 43 residues pruned to eliminate duplicates Z: 39 33.154 1.881 0.794 0.752 0.974 0.763 CB 1.308 39 residues pruned to eliminate duplicates Z: 62 38.752 1.874 0.661 0.799 0.902 0.770 CB 1.361 62 residues pruned to eliminate duplicates Z: 28 30.769 1.852 0.858 0.854 0.963 0.630 CB 1.320 28 residues pruned to eliminate duplicates Z: 47 29.363 1.868 0.778 0.679 0.935 0.652 CB 1.182 47 residues pruned to eliminate duplicates Z: 28 33.040 1.838 0.846 0.886 1.000 0.667 CB 1.352 28 residues pruned to eliminate duplicates Z: 50 32.324 1.883 0.810 0.717 0.980 0.673 CB 1.136 50 residues pruned to eliminate duplicates Z: 28 30.354 1.868 0.828 0.882 0.926 0.704 CB 1.337 28 residues pruned to eliminate duplicates Z: 31 25.669 1.950 0.433 0.804 0.967 0.867 CB 1.330 31 residues pruned to eliminate duplicates Z: 36 19.133 1.837 0.340 0.611 0.914 0.657 CB 1.293 36 residues pruned to eliminate duplicates Z: 22 18.296 1.839 0.531 0.770 0.905 0.762 CB 1.234 22 residues pruned to eliminate duplicates Z: 36 25.663 1.858 0.557 0.717 0.971 0.714 CB 1.269 36 residues pruned to eliminate duplicates Z: 47 20.929 1.757 0.524 0.580 0.891 0.565 CB 1.198 47 residues pruned to eliminate duplicates Z: 35 26.894 1.915 0.589 0.738 0.941 0.706 CB 1.301 35 residues pruned to eliminate duplicates Z: 29 27.856 1.969 0.666 0.805 1.000 0.821 CB 1.230 29 residues pruned to eliminate duplicates Z: 27 24.418 1.921 0.707 0.654 0.962 0.692 CB 1.315 27 residues pruned to eliminate duplicates Z: 21 17.521 1.856 0.581 0.744 0.900 0.700 CB 1.193 21 residues pruned to eliminate duplicates Z: 32 29.784 1.951 0.722 0.800 0.935 0.774 CB 1.309 32 residues pruned to eliminate duplicates Z: 35 23.585 1.906 0.593 0.697 0.882 0.647 CB 1.261 35 residues pruned to eliminate duplicates Z: 34 21.136 1.871 0.588 0.584 0.909 0.576 CB 1.256 34 residues pruned to eliminate duplicates Z: 37 28.200 1.868 0.777 0.712 0.889 0.667 CB 1.314 37 residues pruned to eliminate duplicates Z: 35 29.047 1.886 0.848 0.797 0.882 0.588 CB 1.249 35 residues pruned to eliminate duplicates Z: 37 30.022 1.871 0.776 0.755 0.917 0.667 CB 1.309 37 residues pruned to eliminate duplicates Z: 37 27.841 1.863 0.733 0.769 0.917 0.472 CB 1.235 37 residues pruned to eliminate duplicates Z: 43 24.186 1.805 0.626 0.628 0.881 0.548 CB 1.280 43 residues pruned to eliminate duplicates Z: 31 24.436 1.883 0.687 0.646 1.000 0.600 CB 1.226 31 residues pruned to eliminate duplicates Z: 80 37.919 1.871 0.746 0.706 0.937 0.557 CB 1.156 80 residues pruned to eliminate duplicates Z: 60 33.813 1.838 0.719 0.715 0.932 0.593 CB 1.231 57 residues pruned to eliminate duplicates Z: 13 9.432 1.631 0.611 0.822 0.833 0.333 CB 0.941 12 residues pruned to eliminate duplicates Z: 8 13.330 1.769 0.705 0.868 1.000 0.857 CB 1.222 10 residues pruned to eliminate duplicates Z: 13 13.113 1.826 0.455 0.800 0.833 0.750 CB 1.315 9 residues pruned to eliminate duplicates Z: 12 15.280 1.782 0.552 0.872 0.909 0.455 CB 1.335 12 residues pruned to eliminate duplicates Z: 37 26.703 1.811 0.734 0.742 1.000 0.444 CB 1.141 37 residues pruned to eliminate duplicates Z: 33 25.348 1.904 0.675 0.730 0.906 0.688 CB 1.260 33 residues pruned to eliminate duplicates Z: 32 29.542 1.939 0.867 0.833 0.871 0.677 CB 1.262 34 residues pruned to eliminate duplicates Z: 11 13.832 1.876 0.521 0.834 0.900 0.700 CB 1.278 11 residues pruned to eliminate duplicates Z: 12 13.647 1.863 0.368 0.863 0.909 0.636 CB 1.304 11 residues pruned to eliminate duplicates Z: 16 20.233 2.099 0.229 0.899 1.000 0.867 CB 1.447 16 residues pruned to eliminate duplicates Z: 17 28.139 2.166 0.664 0.849 0.938 0.812 CB 1.543 17 residues pruned to eliminate duplicates Z: 22 21.488 1.961 0.514 0.694 0.952 0.857 CB 1.389 22 residues pruned to eliminate duplicates Z: 22 22.577 1.958 0.589 0.702 0.952 0.571 CB 1.383 21 residues pruned to eliminate duplicates Z: 16 30.775 2.189 0.829 0.923 1.000 0.800 CB 1.395 16 residues pruned to eliminate duplicates Z: 19 26.935 2.017 0.720 0.846 1.000 0.889 CB 1.359 19 residues pruned to eliminate duplicates Z: 19 28.826 2.076 0.651 0.831 1.000 0.944 CB 1.490 19 residues pruned to eliminate duplicates Z: 20 25.505 2.013 0.540 0.809 1.000 0.895 CB 1.442 20 residues pruned to eliminate duplicates Z: 22 26.044 1.925 0.665 0.756 1.000 0.857 CB 1.411 22 residues pruned to eliminate duplicates Z: 18 31.367 2.110 0.736 0.877 1.000 0.765 CB 1.508 18 residues pruned to eliminate duplicates Z: 16 32.241 2.127 0.900 0.902 1.000 0.733 CB 1.469 16 residues pruned to eliminate duplicates Z: 18 25.813 2.037 0.660 0.831 1.000 0.882 CB 1.392 18 residues pruned to eliminate duplicates Z: 20 24.175 2.028 0.549 0.749 1.000 0.684 CB 1.414 20 residues pruned to eliminate duplicates Z: 17 26.460 2.103 0.556 0.889 1.000 0.938 CB 1.455 17 residues pruned to eliminate duplicates Z: 16 24.440 2.158 0.466 0.868 1.000 0.867 CB 1.458 16 residues pruned to eliminate duplicates Z: 9 9.095 1.720 0.456 0.847 0.875 0.625 CB 1.089 8 residues pruned to eliminate duplicates Z: 8 10.347 1.682 0.314 0.841 1.000 0.857 CA 1.319 7 residues pruned to eliminate duplicates Z: 8 11.281 1.651 0.534 0.879 1.000 0.714 CB 1.220 8 residues pruned to eliminate duplicates Z: 7 9.479 1.839 0.272 0.866 1.000 0.667 CB 1.211 7 residues pruned to eliminate duplicates Z: 7 12.080 1.839 0.482 0.871 1.000 0.833 CB 1.320 8 residues pruned to eliminate duplicates Z: 8 11.583 1.654 0.545 0.828 1.000 1.000 CA 1.290 8 residues pruned to eliminate duplicates Z: 10 11.121 1.663 0.739 0.784 0.889 0.556 CB 1.123 10 residues pruned to eliminate duplicates Z: 45 30.406 1.903 0.733 0.699 0.909 0.659 CB 1.275 45 residues pruned to eliminate duplicates Z: 26 13.948 1.872 0.379 0.567 0.960 0.680 CB 1.055 26 residues pruned to eliminate duplicates Z: 23 14.842 1.945 0.584 0.615 0.909 0.682 CB 1.013 23 residues pruned to eliminate duplicates Z: 21 16.123 1.975 0.834 0.647 0.900 0.550 CB 0.964 21 residues pruned to eliminate duplicates Z: 20 18.427 2.059 0.500 0.697 1.000 0.895 CB 1.143 20 residues pruned to eliminate duplicates Z: 34 28.987 1.984 0.725 0.775 0.909 0.667 CB 1.272 34 residues pruned to eliminate duplicates Z: 58 41.085 2.026 0.715 0.802 0.912 0.737 CB 1.319 57 residues pruned to eliminate duplicates Z: 26 33.861 2.074 0.456 0.912 1.000 0.920 CB 1.589 26 residues pruned to eliminate duplicates Z: 56 43.911 2.044 0.721 0.795 0.945 0.764 CB 1.374 56 residues pruned to eliminate duplicates Z: 58 41.915 2.054 0.593 0.787 0.930 0.825 CB 1.418 58 residues pruned to eliminate duplicates Z: 27 36.547 2.109 0.675 0.896 1.000 0.962 CB 1.454 27 residues pruned to eliminate duplicates Z: 28 41.215 2.084 1.015 0.853 1.000 0.704 CB 1.396 28 residues pruned to eliminate duplicates Z: 27 38.405 2.074 0.818 0.894 1.000 0.885 CB 1.433 27 residues pruned to eliminate duplicates Z: 26 37.865 2.092 0.747 0.853 0.960 0.760 CA 1.595 26 residues pruned to eliminate duplicates Z: 26 35.600 2.072 0.587 0.859 1.000 0.840 CA 1.593 26 residues pruned to eliminate duplicates Z: 26 36.435 2.077 0.748 0.895 1.000 0.880 CB 1.439 27 residues pruned to eliminate duplicates Z: 27 35.219 2.058 0.815 0.901 0.962 0.731 CB 1.372 27 residues pruned to eliminate duplicates Z: 28 33.260 2.021 0.694 0.867 0.926 0.852 CB 1.478 28 residues pruned to eliminate duplicates Z: 30 37.150 2.054 0.793 0.868 0.931 0.828 CB 1.470 30 residues pruned to eliminate duplicates Z: 29 31.136 1.992 0.721 0.753 0.893 0.750 CB 1.535 29 residues pruned to eliminate duplicates Z: 26 41.645 2.094 0.899 0.883 0.960 0.760 CB 1.577 26 residues pruned to eliminate duplicates Z: 30 38.048 2.010 0.919 0.824 0.931 0.724 CB 1.486 30 residues pruned to eliminate duplicates Z: 29 35.723 2.063 0.790 0.830 0.964 0.821 CB 1.425 29 residues pruned to eliminate duplicates Z: 31 39.777 2.041 0.925 0.846 0.933 0.767 CB 1.472 27 residues pruned to eliminate duplicates Z: 26 37.266 2.084 0.709 0.890 1.000 0.840 CB 1.505 26 residues pruned to eliminate duplicates Z: 26 38.032 2.088 0.771 0.871 1.000 0.760 CB 1.501 26 residues pruned to eliminate duplicates Z: 24 39.036 2.152 0.707 0.894 0.957 0.870 CB 1.663 24 residues pruned to eliminate duplicates Z: 27 38.036 2.101 0.751 0.909 1.000 0.808 CB 1.439 27 residues pruned to eliminate duplicates Z: 25 43.209 2.112 0.957 0.917 1.000 0.833 CB 1.506 25 residues pruned to eliminate duplicates Z: 31 36.208 2.027 0.766 0.805 0.933 0.667 CB 1.516 31 residues pruned to eliminate duplicates Z: 11 14.262 1.791 0.631 0.793 0.900 0.700 CB 1.326 11 residues pruned to eliminate duplicates Z: 32 21.820 1.810 0.766 0.633 0.871 0.677 CB 1.243 29 residues pruned to eliminate duplicates Z: 10 14.171 1.699 0.719 0.801 0.889 0.556 CB 1.399 10 residues pruned to eliminate duplicates Z: 33 25.179 1.779 0.859 0.623 0.938 0.594 CB 1.278 33 residues pruned to eliminate duplicates Z: 14 9.879 1.595 0.670 0.620 0.846 0.385 CB 1.085 14 residues pruned to eliminate duplicates Z: 31 22.426 1.849 0.904 0.697 0.867 0.333 CB 1.121 31 residues pruned to eliminate duplicates Z: 33 21.448 1.783 0.919 0.633 0.812 0.531 CB 1.203 33 residues pruned to eliminate duplicates Z: 14 14.952 1.823 0.875 0.688 0.923 0.846 CB 1.106 14 residues pruned to eliminate duplicates Z: 16 10.817 1.893 0.264 0.612 0.933 0.667 CB 1.124 16 residues pruned to eliminate duplicates Z: 22 15.510 1.972 0.489 0.624 0.905 0.714 CB 1.133 22 residues pruned to eliminate duplicates Z: 34 17.248 1.879 0.514 0.596 0.879 0.576 CB 1.096 34 residues pruned to eliminate duplicates Z: 25 16.191 1.922 0.708 0.555 0.917 0.625 CB 1.041 25 residues pruned to eliminate duplicates Z: 32 16.686 1.858 0.517 0.588 0.871 0.484 CB 1.122 32 residues pruned to eliminate duplicates Z: 23 15.146 1.931 0.525 0.644 0.955 0.727 CB 1.005 23 residues pruned to eliminate duplicates Z: 35 21.125 1.963 0.667 0.646 0.794 0.500 CB 1.217 32 residues pruned to eliminate duplicates Z: 9 19.071 2.084 0.607 0.928 1.000 0.875 CB 1.411 9 residues pruned to eliminate duplicates Z: 12 7.778 1.456 0.427 0.524 1.000 0.818 CB 1.102 12 residues pruned to eliminate duplicates Z: 23 24.981 1.852 0.565 0.868 0.955 0.909 CB 1.408 23 residues pruned to eliminate duplicates Z: 24 27.011 1.946 0.520 0.850 1.000 0.696 CB 1.410 24 residues pruned to eliminate duplicates Z: 54 38.973 1.955 0.639 0.787 0.943 0.755 CB 1.377 53 residues pruned to eliminate duplicates Z: 28 26.261 1.878 0.541 0.857 0.963 0.778 CB 1.337 28 residues pruned to eliminate duplicates Z: 25 26.065 1.949 0.431 0.883 1.000 0.958 CB 1.379 25 residues pruned to eliminate duplicates Z: 25 29.116 1.978 0.508 0.895 1.000 1.000 CB 1.428 25 residues pruned to eliminate duplicates Z: 19 27.726 2.026 0.536 0.886 1.000 0.778 CB 1.515 19 residues pruned to eliminate duplicates Z: 26 27.128 1.943 0.550 0.872 0.960 0.920 CB 1.368 26 residues pruned to eliminate duplicates Z: 23 22.568 1.943 0.534 0.804 0.955 0.818 CB 1.297 23 residues pruned to eliminate duplicates Z: 26 25.504 1.935 0.403 0.906 1.000 0.920 CB 1.336 26 residues pruned to eliminate duplicates Z: 19 26.038 1.991 0.477 0.911 1.000 0.889 CB 1.479 19 residues pruned to eliminate duplicates Z: 22 23.613 1.937 0.628 0.833 0.952 0.714 CB 1.287 22 residues pruned to eliminate duplicates Z: 23 23.191 1.955 0.531 0.867 0.955 0.773 CB 1.266 23 residues pruned to eliminate duplicates Z: 22 24.486 1.934 0.718 0.834 0.952 0.667 CB 1.266 22 residues pruned to eliminate duplicates Z: 20 26.492 1.999 0.628 0.880 0.947 0.895 CB 1.428 20 residues pruned to eliminate duplicates Z: 21 24.355 1.948 0.650 0.821 1.000 0.900 CB 1.283 21 residues pruned to eliminate duplicates Z: 22 26.499 1.942 0.770 0.829 1.000 0.571 CB 1.266 22 residues pruned to eliminate duplicates Z: 21 29.677 1.860 0.930 0.860 1.000 0.550 CB 1.360 22 residues pruned to eliminate duplicates Z: 25 20.143 1.849 0.707 0.854 0.875 0.583 CB 1.099 25 residues pruned to eliminate duplicates Z: 21 27.526 1.965 0.840 0.883 0.900 0.500 CB 1.368 21 residues pruned to eliminate duplicates Z: 25 30.200 1.941 0.700 0.908 1.000 0.792 CB 1.327 25 residues pruned to eliminate duplicates Z: 23 25.467 1.942 0.715 0.841 0.955 0.682 CB 1.273 23 residues pruned to eliminate duplicates Z: 57 46.358 1.989 0.840 0.810 0.964 0.768 CB 1.340 52 residues pruned to eliminate duplicates Z: 21 27.218 1.869 0.623 0.900 1.000 0.850 CA 1.433 21 residues pruned to eliminate duplicates Z: 20 21.087 1.951 0.514 0.693 0.842 0.737 CB 1.630 20 residues pruned to eliminate duplicates Z: 27 29.515 1.949 0.703 0.763 1.000 0.846 CB 1.381 27 residues pruned to eliminate duplicates Z: 23 26.081 1.997 0.288 0.957 1.000 0.955 CB 1.484 23 residues pruned to eliminate duplicates Z: 30 24.139 1.871 0.585 0.703 0.897 0.655 CB 1.401 30 residues pruned to eliminate duplicates Z: 18 23.638 1.978 0.694 0.751 0.882 0.765 CB 1.549 18 residues pruned to eliminate duplicates Z: 29 27.290 1.927 0.690 0.747 0.929 0.750 CB 1.367 28 residues pruned to eliminate duplicates Z: 30 33.270 1.937 0.662 0.911 0.966 0.931 CB 1.409 30 residues pruned to eliminate duplicates Z: 28 21.651 1.879 0.604 0.674 0.889 0.741 CB 1.325 28 residues pruned to eliminate duplicates Z: 21 27.812 1.941 0.821 0.762 1.000 0.900 CB 1.394 21 residues pruned to eliminate duplicates Z: 27 32.722 1.969 0.831 0.757 1.000 0.769 CB 1.416 28 residues pruned to eliminate duplicates Z: 27 34.945 1.986 0.818 0.937 1.000 0.769 CB 1.321 27 residues pruned to eliminate duplicates Z: 20 30.179 1.984 1.018 0.784 0.947 0.579 CB 1.422 20 residues pruned to eliminate duplicates Z: 21 28.372 2.001 0.922 0.734 0.950 0.550 CB 1.407 21 residues pruned to eliminate duplicates Z: 29 27.083 1.910 0.960 0.705 0.929 0.500 CB 1.221 29 residues pruned to eliminate duplicates Z: 19 23.778 1.905 1.096 0.719 0.944 0.500 CB 1.219 19 residues pruned to eliminate duplicates Z: 75 48.028 1.939 0.713 0.773 0.932 0.622 CB 1.416 75 residues pruned to eliminate duplicates Z: 38 25.977 1.860 0.771 0.692 0.919 0.595 CB 1.184 38 residues pruned to eliminate duplicates Z: 42 33.272 1.946 0.829 0.762 0.927 0.732 CB 1.248 42 residues pruned to eliminate duplicates Z: 25 18.593 1.873 0.489 0.640 0.875 0.750 CB 1.364 25 residues pruned to eliminate duplicates Z: 37 31.252 1.870 0.976 0.842 0.944 0.667 CB 1.112 37 residues pruned to eliminate duplicates Z: 74 42.757 1.889 0.910 0.735 0.849 0.452 CB 1.323 74 residues pruned to eliminate duplicates Z: 37 36.130 1.908 0.998 0.836 0.972 0.722 CB 1.217 37 residues pruned to eliminate duplicates Z: 12 16.885 1.849 0.795 0.863 0.909 0.727 CB 1.238 12 residues pruned to eliminate duplicates Z: 32 29.843 1.915 0.774 0.784 0.935 0.774 CB 1.313 32 residues pruned to eliminate duplicates Z: 45 31.150 1.867 0.862 0.687 0.977 0.636 CB 1.165 45 residues pruned to eliminate duplicates Z: 46 31.394 1.856 0.831 0.709 0.978 0.556 CB 1.165 46 residues pruned to eliminate duplicates Z: 56 41.659 1.900 0.870 0.776 0.982 0.745 CB 1.262 56 residues pruned to eliminate duplicates Z: 55 48.070 1.958 0.971 0.811 0.981 0.685 CB 1.318 55 residues pruned to eliminate duplicates Z: 23 21.347 1.928 0.614 0.655 0.909 0.727 CB 1.392 23 residues pruned to eliminate duplicates Z: 20 26.682 2.006 0.684 0.767 0.947 0.789 CA 1.510 20 residues pruned to eliminate duplicates Z: 23 22.584 1.842 0.793 0.668 0.909 0.455 CB 1.373 23 residues pruned to eliminate duplicates Z: 35 28.998 1.907 0.745 0.694 0.912 0.618 CB 1.372 35 residues pruned to eliminate duplicates Z: 22 25.137 1.915 0.688 0.716 1.000 0.571 CB 1.396 22 residues pruned to eliminate duplicates Z: 22 23.789 1.954 0.705 0.705 0.905 0.571 CB 1.430 22 residues pruned to eliminate duplicates Z: 23 22.929 1.884 0.795 0.693 0.909 0.318 CB 1.332 23 residues pruned to eliminate duplicates Z: 23 24.322 1.933 0.830 0.723 0.909 0.591 CB 1.318 23 residues pruned to eliminate duplicates Z: 22 25.621 1.960 0.734 0.773 1.000 0.476 CB 1.292 22 residues pruned to eliminate duplicates Z: 52 38.526 1.869 0.953 0.796 0.941 0.392 CB 1.211 52 residues pruned to eliminate duplicates Z: 56 34.613 1.925 0.944 0.730 0.891 0.473 CB 1.138 56 residues pruned to eliminate duplicates Z: 21 27.259 1.977 0.779 0.761 1.000 0.500 CB 1.374 21 residues pruned to eliminate duplicates Z: 33 29.474 1.915 0.816 0.758 0.938 0.688 CB 1.270 33 residues pruned to eliminate duplicates Z: 38 39.967 1.969 0.836 0.832 1.000 0.649 CB 1.364 38 residues pruned to eliminate duplicates Z: 40 36.324 1.947 0.819 0.749 0.897 0.487 CB 1.465 40 residues pruned to eliminate duplicates Z: 51 39.613 1.921 0.860 0.745 0.960 0.440 CB 1.312 51 residues pruned to eliminate duplicates Z: 59 32.342 1.842 0.722 0.667 0.879 0.569 CB 1.305 59 residues pruned to eliminate duplicates Z: 63 33.459 1.854 0.776 0.689 0.887 0.516 CB 1.223 63 residues pruned to eliminate duplicates Z: 35 21.654 1.853 0.707 0.611 0.853 0.500 CB 1.238 35 residues pruned to eliminate duplicates Z: 43 33.311 1.924 0.764 0.748 0.881 0.524 CB 1.378 43 residues pruned to eliminate duplicates Z: 62 26.696 1.822 0.818 0.573 0.803 0.525 CB 1.197 62 residues pruned to eliminate duplicates Z: 21 22.406 1.879 0.587 0.679 0.950 0.500 CB 1.500 21 residues pruned to eliminate duplicates Z: 29 15.861 1.764 0.737 0.508 0.821 0.357 CB 1.182 29 residues pruned to eliminate duplicates Z: 31 22.353 1.835 0.576 0.607 0.867 0.533 CB 1.471 31 residues pruned to eliminate duplicates Z: 32 27.651 1.913 0.643 0.709 0.935 0.613 CB 1.397 32 residues pruned to eliminate duplicates Z: 22 22.707 1.880 0.749 0.622 0.857 0.476 N 1.566 22 residues pruned to eliminate duplicates Z: 29 31.978 1.946 0.848 0.757 0.893 0.500 CB 1.498 29 residues pruned to eliminate duplicates Z: 30 23.672 1.844 0.647 0.599 0.897 0.690 CB 1.469 30 residues pruned to eliminate duplicates Z: 21 21.019 1.926 0.415 0.701 0.950 0.500 CB 1.512 21 residues pruned to eliminate duplicates Z: 82 48.948 1.937 0.821 0.784 0.951 0.519 CB 1.263 82 residues pruned to eliminate duplicates Z: 32 20.746 1.853 0.610 0.564 0.839 0.548 CB 1.400 32 residues pruned to eliminate duplicates Z: 67 40.154 1.906 0.846 0.699 0.939 0.485 CB 1.246 67 residues pruned to eliminate duplicates Z: 72 34.680 1.843 0.652 0.725 0.901 0.592 CB 1.224 72 residues pruned to eliminate duplicates Z: 83 50.828 1.941 0.810 0.781 0.939 0.622 CB 1.328 83 residues pruned to eliminate duplicates Z: 43 29.105 1.890 0.745 0.612 0.857 0.405 CB 1.430 43 residues pruned to eliminate duplicates Z: 71 45.414 1.923 0.800 0.761 0.929 0.571 CB 1.339 71 residues pruned to eliminate duplicates Z: 33 28.472 1.884 0.677 0.631 0.906 0.500 CB 1.555 33 residues pruned to eliminate duplicates Z: 48 27.290 1.855 0.466 0.746 0.957 0.638 CB 1.227 48 residues pruned to eliminate duplicates Z: 38 24.489 1.802 0.665 0.614 0.865 0.568 CB 1.392 38 residues pruned to eliminate duplicates Z: 36 32.684 1.953 0.808 0.756 0.943 0.486 CB 1.321 36 residues pruned to eliminate duplicates Z: 73 37.818 1.877 0.772 0.673 0.861 0.583 CB 1.326 73 residues pruned to eliminate duplicates Z: 31 30.048 1.889 0.629 0.714 0.967 0.700 CB 1.519 31 residues pruned to eliminate duplicates Z: 54 32.720 1.836 0.644 0.689 0.943 0.509 CB 1.328 54 residues pruned to eliminate duplicates Z: 28 18.915 1.768 0.499 0.825 0.963 0.556 CB 1.076 28 residues pruned to eliminate duplicates Z: 43 27.488 1.862 0.499 0.735 0.976 0.619 CB 1.261 43 residues pruned to eliminate duplicates Z: 110 48.674 1.916 0.605 0.739 0.963 0.642 CB 1.271 108 residues pruned to eliminate duplicates Z: 17 13.875 1.715 0.485 0.842 1.000 0.438 CB 1.015 17 residues pruned to eliminate duplicates Z: 35 22.428 1.818 0.556 0.697 0.853 0.647 CB 1.331 35 residues pruned to eliminate duplicates Z: 47 23.967 1.855 0.403 0.621 0.913 0.587 CB 1.327 47 residues pruned to eliminate duplicates Z: 65 41.439 1.860 0.820 0.777 0.938 0.547 CB 1.278 65 residues pruned to eliminate duplicates Z: 58 31.615 1.834 0.620 0.657 0.912 0.544 CB 1.335 58 residues pruned to eliminate duplicates Z: 19 12.728 1.738 0.358 0.794 0.889 0.556 CB 1.105 19 residues pruned to eliminate duplicates Z: 13 9.727 1.874 0.239 0.759 0.833 0.583 CB 1.152 13 residues pruned to eliminate duplicates Z: 57 30.654 1.872 0.613 0.752 0.911 0.625 CB 1.189 57 residues pruned to eliminate duplicates Z: 69 40.530 1.895 0.683 0.771 0.971 0.529 CB 1.249 69 residues pruned to eliminate duplicates Z: 44 25.528 1.948 0.520 0.667 0.930 0.605 CB 1.211 44 residues pruned to eliminate duplicates Z: 15 15.467 1.923 0.522 0.709 1.000 0.571 CB 1.168 15 residues pruned to eliminate duplicates Z: 25 18.825 1.778 0.630 0.786 0.917 0.667 CB 1.125 25 residues pruned to eliminate duplicates Z: 28 13.500 1.724 0.472 0.561 0.815 0.481 CB 1.185 28 residues pruned to eliminate duplicates Z: 76 40.062 1.882 0.676 0.744 0.933 0.533 CB 1.263 76 residues pruned to eliminate duplicates Z: 24 14.622 1.768 0.424 0.677 0.913 0.696 CB 1.127 24 residues pruned to eliminate duplicates Z: 12 14.771 1.953 0.543 0.799 1.000 0.727 CB 1.138 12 residues pruned to eliminate duplicates Z: 25 15.859 1.823 0.398 0.724 0.958 0.583 CB 1.083 25 residues pruned to eliminate duplicates Z: 41 29.513 2.046 0.606 0.786 0.900 0.775 CB 1.227 41 residues pruned to eliminate duplicates Z: 15 15.254 1.940 0.528 0.733 0.929 0.643 CB 1.201 15 residues pruned to eliminate duplicates Z: 34 25.234 1.975 0.569 0.736 0.909 0.697 CB 1.262 34 residues pruned to eliminate duplicates Z: 44 27.405 1.961 0.463 0.701 0.930 0.674 CB 1.304 44 residues pruned to eliminate duplicates Z: 88 41.454 1.919 0.530 0.746 0.966 0.598 CB 1.258 88 residues pruned to eliminate duplicates Z: 89 41.602 1.891 0.754 0.668 0.932 0.614 CB 1.229 89 residues pruned to eliminate duplicates Z: 46 24.893 1.936 0.568 0.682 0.867 0.556 CB 1.193 46 residues pruned to eliminate duplicates Z: 30 20.840 1.989 0.382 0.706 0.897 0.724 CB 1.301 30 residues pruned to eliminate duplicates Z: 26 28.821 2.095 0.692 0.829 0.960 0.880 CB 1.274 26 residues pruned to eliminate duplicates Z: 30 27.220 2.034 0.543 0.739 0.966 0.724 CB 1.347 30 residues pruned to eliminate duplicates Z: 46 27.920 1.968 0.610 0.715 0.867 0.756 CB 1.247 46 residues pruned to eliminate duplicates Z: 53 29.006 1.928 0.576 0.704 0.865 0.673 CB 1.271 53 residues pruned to eliminate duplicates Z: 112 44.713 1.904 0.621 0.712 0.892 0.532 CB 1.272 112 residues pruned to eliminate duplicates Z: 28 26.411 2.062 0.650 0.755 0.926 0.667 CB 1.286 28 residues pruned to eliminate duplicates Z: 44 27.469 1.981 0.542 0.728 0.884 0.628 CB 1.263 44 residues pruned to eliminate duplicates Z: 54 27.275 1.880 0.518 0.687 0.906 0.642 CB 1.221 54 residues pruned to eliminate duplicates Z: 41 29.288 2.025 0.651 0.716 0.900 0.700 CB 1.266 41 residues pruned to eliminate duplicates Z: 71 43.660 1.969 0.722 0.738 0.929 0.700 CB 1.339 74 residues pruned to eliminate duplicates Z: 24 30.834 2.129 0.586 0.900 1.000 0.870 CB 1.359 24 residues pruned to eliminate duplicates Z: 131 57.663 1.916 0.701 0.772 0.962 0.646 CB 1.269 131 residues pruned to eliminate duplicates Z: 29 22.835 2.059 0.475 0.752 0.964 0.786 CB 1.177 29 residues pruned to eliminate duplicates Z: 39 23.079 2.001 0.629 0.679 0.842 0.395 CB 1.156 39 residues pruned to eliminate duplicates Z: 44 28.850 1.992 0.636 0.706 0.860 0.698 CB 1.302 44 residues pruned to eliminate duplicates Z: 48 31.021 1.951 0.650 0.756 0.936 0.723 CB 1.195 48 residues pruned to eliminate duplicates Z: 27 28.618 2.096 0.719 0.780 0.962 0.654 CB 1.265 27 residues pruned to eliminate duplicates Z: 104 42.001 1.880 0.666 0.704 0.883 0.583 CB 1.242 104 residues pruned to eliminate duplicates Z: 35 29.416 1.972 0.885 0.650 0.912 0.412 CB 1.295 35 residues pruned to eliminate duplicates Z: 30 25.205 2.025 0.832 0.727 0.897 0.448 CB 1.147 30 residues pruned to eliminate duplicates Z: 15 16.171 1.995 0.977 0.760 0.857 0.500 CB 1.015 15 residues pruned to eliminate duplicates Z: 54 31.310 1.901 0.698 0.718 0.925 0.585 CB 1.183 54 residues pruned to eliminate duplicates Z: 26 36.719 2.125 0.975 0.839 0.960 0.600 CB 1.361 26 residues pruned to eliminate duplicates Z: 11 4.263 1.471 0.361 0.380 0.900 0.400 CB 0.850 Z: 12 8.492 1.568 0.378 0.838 0.909 0.818 CB 0.974 11 residues pruned to eliminate duplicates Z: 28 14.326 1.712 0.372 0.687 0.889 0.630 CB 1.112 51 residues pruned to eliminate duplicates Z: 13 7.403 1.562 0.648 0.809 0.833 0.500 CB 0.761 13 residues pruned to eliminate duplicates Z: 23 15.362 1.730 0.580 0.732 0.909 0.591 CB 1.070 23 residues pruned to eliminate duplicates Z: 14 6.833 1.598 0.505 0.610 0.769 0.538 CB 0.923 14 residues pruned to eliminate duplicates Z: 23 11.418 1.712 0.319 0.573 0.909 0.455 CB 1.105 23 residues pruned to eliminate duplicates Z: 6 3.008 1.475 0.687 0.618 1.000 0.600 CB 0.484 6 residues pruned to eliminate duplicates Z: 18 10.601 1.704 0.429 0.631 0.824 0.412 CB 1.134 18 residues pruned to eliminate duplicates Z: 23 13.214 1.772 0.403 0.571 0.909 0.591 CB 1.163 23 residues pruned to eliminate duplicates Z: 21 12.207 1.768 0.434 0.556 0.900 0.500 CB 1.133 21 residues pruned to eliminate duplicates Z: 41 28.167 1.960 0.583 0.657 0.925 0.725 CB 1.341 41 residues pruned to eliminate duplicates Z: 20 14.586 1.760 0.504 0.672 0.947 0.368 CB 1.138 20 residues pruned to eliminate duplicates Z: 26 9.019 1.684 0.423 0.435 0.840 0.440 CB 0.959 26 residues pruned to eliminate duplicates Z: 47 31.178 1.970 0.579 0.717 0.870 0.652 CB 1.397 47 residues pruned to eliminate duplicates Z: 26 11.991 1.704 0.404 0.545 0.920 0.360 CB 1.042 26 residues pruned to eliminate duplicates Z: 24 12.887 1.768 0.425 0.598 0.913 0.565 CB 1.064 24 residues pruned to eliminate duplicates Z: 53 29.783 1.881 0.596 0.663 0.904 0.712 CB 1.309 53 residues pruned to eliminate duplicates Z: 23 13.694 1.761 0.469 0.549 0.909 0.409 CB 1.184 23 residues pruned to eliminate duplicates Z: 49 38.330 1.987 0.781 0.737 0.917 0.667 CB 1.379 49 residues pruned to eliminate duplicates Z: 51 27.785 1.912 0.517 0.653 0.900 0.680 CB 1.305 51 residues pruned to eliminate duplicates Z: 25 13.745 1.735 0.527 0.539 0.833 0.458 CB 1.224 25 residues pruned to eliminate duplicates Z: 20 14.418 1.745 0.456 0.651 0.947 0.579 CB 1.194 20 residues pruned to eliminate duplicates Z: 6 2.547 1.572 -0.037 0.552 0.800 0.800 CB 0.894 Z: 24 13.637 1.755 0.373 0.578 0.913 0.609 CB 1.198 30 residues pruned to eliminate duplicates Z: 25 13.816 1.752 0.482 0.592 0.917 0.625 CB 1.085 25 residues pruned to eliminate duplicates Z: 26 13.117 1.770 0.363 0.592 0.880 0.560 CB 1.132 26 residues pruned to eliminate duplicates Z: 27 35.774 2.118 0.656 0.783 0.962 0.692 CB 1.621 27 residues pruned to eliminate duplicates Z: 53 33.658 1.945 0.669 0.653 0.942 0.635 CB 1.323 53 residues pruned to eliminate duplicates Z: 49 34.639 1.980 0.577 0.711 0.938 0.625 CB 1.410 49 residues pruned to eliminate duplicates Z: 48 34.403 1.991 0.719 0.730 0.894 0.681 CB 1.334 48 residues pruned to eliminate duplicates Z: 28 38.368 2.105 0.756 0.801 0.963 0.852 CB 1.594 28 residues pruned to eliminate duplicates Z: 27 35.935 2.060 0.703 0.850 0.962 0.769 CB 1.548 27 residues pruned to eliminate duplicates Z: 28 35.257 2.096 0.627 0.768 0.963 0.741 CB 1.630 28 residues pruned to eliminate duplicates Z: 51 36.109 1.938 0.669 0.665 0.940 0.580 CB 1.442 51 residues pruned to eliminate duplicates Z: 27 45.259 2.154 0.868 0.831 1.000 0.731 CB 1.658 27 residues pruned to eliminate duplicates Z: 52 33.594 1.955 0.708 0.676 0.902 0.627 CB 1.328 52 residues pruned to eliminate duplicates Z: 26 35.273 2.128 0.891 0.767 0.920 0.720 CB 1.504 26 residues pruned to eliminate duplicates Z: 54 33.676 1.965 0.736 0.688 0.887 0.623 CB 1.288 54 residues pruned to eliminate duplicates Z: 49 36.129 1.980 0.822 0.707 0.917 0.625 CB 1.306 49 residues pruned to eliminate duplicates Z: 52 36.360 1.961 0.793 0.715 0.902 0.667 CB 1.321 52 residues pruned to eliminate duplicates Z: 29 39.594 2.085 0.924 0.773 0.929 0.643 CB 1.577 29 residues pruned to eliminate duplicates Z: 28 40.500 2.086 0.920 0.769 0.963 0.630 CB 1.592 28 residues pruned to eliminate duplicates Z: 27 42.415 2.143 1.068 0.821 0.962 0.692 CB 1.478 27 residues pruned to eliminate duplicates Z: 28 43.204 2.084 0.958 0.785 1.000 0.741 CB 1.586 28 residues pruned to eliminate duplicates Z: 27 45.967 2.119 1.133 0.803 0.962 0.615 CB 1.592 27 residues pruned to eliminate duplicates Z: 27 44.911 2.129 1.082 0.797 1.000 0.615 CB 1.531 27 residues pruned to eliminate duplicates Z: 53 34.124 1.948 0.736 0.662 0.923 0.538 CB 1.305 53 residues pruned to eliminate duplicates Z: 52 37.567 1.959 0.823 0.671 0.941 0.686 CB 1.337 52 residues pruned to eliminate duplicates Z: 52 35.346 1.962 0.751 0.658 0.922 0.490 CB 1.350 52 residues pruned to eliminate duplicates Z: 54 34.460 1.942 0.715 0.708 0.906 0.585 CB 1.299 54 residues pruned to eliminate duplicates Z: 28 43.295 2.106 0.938 0.829 0.963 0.741 CB 1.594 28 residues pruned to eliminate duplicates Z: 18 20.363 1.925 0.249 0.833 1.000 0.882 CA 1.541 18 residues pruned to eliminate duplicates Z: 25 22.655 1.831 0.452 0.727 1.000 0.750 CB 1.417 25 residues pruned to eliminate duplicates Z: 18 27.088 2.027 0.446 0.888 1.000 1.000 CB 1.614 18 residues pruned to eliminate duplicates Z: 21 18.685 1.823 0.280 0.733 1.000 0.800 CB 1.453 21 residues pruned to eliminate duplicates Z: 18 19.646 1.908 0.253 0.813 1.000 0.941 CB 1.517 18 residues pruned to eliminate duplicates Z: 17 29.648 2.067 0.733 0.809 1.000 0.750 CB 1.581 17 residues pruned to eliminate duplicates Z: 18 28.031 2.004 0.865 0.816 0.941 0.882 CB 1.469 18 residues pruned to eliminate duplicates Z: 18 33.092 2.056 0.843 0.864 1.000 0.941 CB 1.552 18 residues pruned to eliminate duplicates Z: 19 28.734 1.962 0.801 0.828 1.000 0.833 CB 1.443 19 residues pruned to eliminate duplicates Z: 18 33.053 2.048 0.993 0.859 1.000 0.765 CB 1.445 18 residues pruned to eliminate duplicates Z: 17 32.146 2.066 0.922 0.856 1.000 0.750 CB 1.492 17 residues pruned to eliminate duplicates Z: 16 32.522 2.139 0.845 0.865 1.000 0.867 CB 1.558 16 residues pruned to eliminate duplicates Z: 19 28.147 1.953 0.841 0.816 1.000 0.889 CB 1.403 19 residues pruned to eliminate duplicates Z: 18 31.034 2.037 0.823 0.866 1.000 0.824 CB 1.483 18 residues pruned to eliminate duplicates Z: 18 32.689 2.049 0.942 0.873 1.000 1.000 CB 1.452 18 residues pruned to eliminate duplicates Z: 16 37.020 2.157 1.062 0.889 1.000 0.867 CB 1.548 16 residues pruned to eliminate duplicates Z: 17 33.932 2.080 0.884 0.875 1.000 0.875 CB 1.575 17 residues pruned to eliminate duplicates 376 residues left after pruning, divided into chains as follows: A: 29 B: 105 C: 158 D: 84 CC for partial structure against native data = 46.47 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.454, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.520, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.621, Connect. = 0.752 for dens.mod. cycle 3 = 0.300, Contrast = 0.633, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.644, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.649, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.654, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.657, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.659, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.660, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1256 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 375 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 29.759 2.064 0.785 0.915 1.000 0.933 CB 1.474 B: 25 40.043 2.140 0.746 0.926 1.000 0.833 CB 1.534 C: 25 38.728 2.137 0.794 0.929 1.000 0.917 CB 1.443 25 residues pruned to eliminate duplicates D: 27 41.382 2.094 0.918 0.910 1.000 0.846 CB 1.434 E: 25 23.131 2.040 0.397 0.896 0.958 0.833 CB 1.239 F: 8 10.623 1.889 0.195 0.771 1.000 0.714 CA 1.399 G: 25 36.645 2.139 0.704 0.922 0.958 0.833 CB 1.506 25 residues pruned to eliminate duplicates H: 17 24.715 2.108 0.579 0.901 0.875 0.688 CB 1.513 I: 16 22.933 2.151 0.626 0.879 0.867 0.733 CB 1.417 16 residues pruned to eliminate duplicates J: 32 26.222 1.857 0.413 0.880 0.968 0.903 CB 1.345 8 residues pruned to eliminate duplicates K: 17 26.791 2.100 0.717 0.875 0.875 0.625 CB 1.543 17 residues pruned to eliminate duplicates L: 24 44.094 2.134 1.005 0.876 1.000 0.783 CB 1.561 25 residues pruned to eliminate duplicates M: 25 36.229 2.122 0.716 0.894 0.958 0.792 CB 1.521 25 residues pruned to eliminate duplicates N: 25 30.416 2.065 0.680 0.890 1.000 0.875 CB 1.287 24 residues pruned to eliminate duplicates O: 16 28.858 2.068 0.699 0.911 1.000 0.933 CB 1.504 16 residues pruned to eliminate duplicates P: 25 28.060 1.921 0.653 0.900 0.958 0.583 CB 1.345 Q: 17 28.883 2.089 0.684 0.913 1.000 0.812 CB 1.452 17 residues pruned to eliminate duplicates R: 27 31.793 1.984 0.572 0.881 1.000 0.846 CB 1.447 27 residues pruned to eliminate duplicates S: 23 39.873 2.173 0.698 0.913 1.000 0.864 CB 1.630 24 residues pruned to eliminate duplicates T: 26 32.640 2.048 0.770 0.882 0.920 0.800 CB 1.416 26 residues pruned to eliminate duplicates U: 26 35.154 2.069 0.863 0.918 0.960 0.800 CB 1.339 26 residues pruned to eliminate duplicates V: 31 28.748 1.794 0.691 0.855 0.900 0.733 CA 1.419 W: 18 23.038 1.934 0.646 0.910 0.941 0.882 CB 1.323 X: 24 34.924 2.142 0.505 0.918 1.000 0.957 CB 1.593 24 residues pruned to eliminate duplicates Y: 26 39.054 2.085 0.891 0.928 1.000 0.800 CB 1.387 26 residues pruned to eliminate duplicates Z: 16 28.426 2.062 0.741 0.910 1.000 0.867 CB 1.450 16 residues pruned to eliminate duplicates Z: 24 41.183 2.169 0.669 0.963 1.000 1.000 CB 1.622 22 residues pruned to eliminate duplicates Z: 26 42.646 2.108 1.068 0.918 0.920 0.800 CB 1.501 25 residues pruned to eliminate duplicates Z: 25 43.333 2.138 0.873 0.938 1.000 0.917 CB 1.536 25 residues pruned to eliminate duplicates Z: 27 38.616 2.084 0.802 0.907 1.000 0.885 CB 1.434 27 residues pruned to eliminate duplicates Z: 24 44.175 2.148 1.005 0.934 1.000 0.783 CB 1.492 24 residues pruned to eliminate duplicates Z: 26 36.805 2.091 0.689 0.919 0.960 0.800 CB 1.530 26 residues pruned to eliminate duplicates Z: 21 22.923 1.852 0.346 0.910 1.000 0.950 CA 1.458 21 residues pruned to eliminate duplicates Z: 10 11.094 1.896 0.143 0.893 1.000 0.889 CB 1.225 Z: 12 16.660 1.940 0.691 0.869 0.909 0.909 CB 1.230 12 residues pruned to eliminate duplicates Z: 16 27.427 2.035 0.653 0.926 1.000 0.867 CB 1.477 16 residues pruned to eliminate duplicates Z: 24 24.126 1.901 0.478 0.890 0.957 0.783 CB 1.346 24 residues pruned to eliminate duplicates Z: 13 24.924 2.028 0.533 0.863 1.000 0.833 CA 1.698 Z: 19 29.484 1.980 0.804 0.846 0.944 0.833 CB 1.530 19 residues pruned to eliminate duplicates Z: 28 29.229 1.755 0.890 0.883 0.963 0.407 CB 1.273 30 residues pruned to eliminate duplicates Z: 26 38.741 2.096 0.841 0.912 1.000 0.760 CB 1.422 26 residues pruned to eliminate duplicates Z: 26 32.555 2.055 0.739 0.924 0.920 0.760 CA 1.391 26 residues pruned to eliminate duplicates Z: 27 31.664 2.041 0.521 0.899 1.000 0.885 CB 1.429 27 residues pruned to eliminate duplicates Z: 20 27.541 1.941 0.831 0.892 0.947 0.632 CB 1.348 Z: 21 21.983 1.926 0.405 0.921 1.000 0.900 CB 1.278 19 residues pruned to eliminate duplicates Z: 12 16.128 1.907 0.594 0.843 1.000 0.727 CB 1.191 13 residues pruned to eliminate duplicates Z: 15 28.872 2.179 0.861 0.921 0.929 0.857 CB 1.442 15 residues pruned to eliminate duplicates Z: 25 38.384 2.048 0.939 0.906 1.000 0.750 CB 1.403 25 residues pruned to eliminate duplicates Z: 16 31.156 2.057 0.859 0.903 1.000 0.800 CB 1.499 16 residues pruned to eliminate duplicates Z: 27 29.757 2.033 0.548 0.886 1.000 0.846 CB 1.338 27 residues pruned to eliminate duplicates Z: 25 27.079 2.021 0.453 0.859 1.000 0.792 CB 1.385 25 residues pruned to eliminate duplicates Z: 16 33.713 2.052 0.839 0.924 1.000 0.800 CB 1.620 16 residues pruned to eliminate duplicates Z: 23 30.256 2.032 0.728 0.891 1.000 0.864 CB 1.321 23 residues pruned to eliminate duplicates Z: 20 25.630 1.866 0.568 0.869 1.000 0.789 CB 1.469 20 residues pruned to eliminate duplicates Z: 20 28.258 1.907 0.764 0.932 1.000 1.000 CB 1.345 21 residues pruned to eliminate duplicates Z: 14 25.092 1.889 0.664 0.915 1.000 0.769 N 1.564 13 residues pruned to eliminate duplicates Z: 30 33.808 1.933 0.925 0.866 0.931 0.655 CB 1.326 30 residues pruned to eliminate duplicates Z: 29 36.777 1.969 1.053 0.907 1.000 0.607 CB 1.221 29 residues pruned to eliminate duplicates Z: 16 23.707 2.091 0.411 0.865 1.000 0.800 CA 1.520 16 residues pruned to eliminate duplicates Z: 14 22.782 1.903 0.540 0.893 1.000 0.538 CA 1.548 14 residues pruned to eliminate duplicates Z: 13 20.015 1.909 0.630 0.863 0.917 0.833 CB 1.486 13 residues pruned to eliminate duplicates Z: 20 15.667 1.853 0.186 0.880 1.000 0.947 CB 1.184 20 residues pruned to eliminate duplicates Z: 21 19.538 1.862 0.535 0.856 0.950 0.750 CB 1.187 21 residues pruned to eliminate duplicates Z: 12 20.444 1.921 0.534 0.912 1.000 1.000 CA 1.481 11 residues pruned to eliminate duplicates Z: 25 43.140 2.125 1.120 0.929 1.000 0.833 CB 1.368 25 residues pruned to eliminate duplicates Z: 10 10.351 1.742 0.240 0.839 1.000 0.889 CA 1.193 Z: 20 26.911 1.926 0.752 0.923 1.000 0.895 CB 1.285 20 residues pruned to eliminate duplicates Z: 17 20.773 2.002 0.254 0.914 1.000 0.812 CA 1.462 17 residues pruned to eliminate duplicates Z: 20 21.417 1.908 0.413 0.935 0.947 0.947 CB 1.340 20 residues pruned to eliminate duplicates Z: 9 10.817 1.925 0.030 0.903 1.000 1.000 CA 1.376 10 residues pruned to eliminate duplicates Z: 31 25.882 1.862 0.465 0.891 1.000 0.900 CB 1.245 30 residues pruned to eliminate duplicates Z: 15 9.958 1.637 0.503 0.797 1.000 0.429 CB 0.834 Z: 17 19.871 1.945 0.312 0.873 0.938 0.875 CB 1.512 17 residues pruned to eliminate duplicates Z: 27 27.451 1.716 0.680 0.873 0.962 0.731 CB 1.414 26 residues pruned to eliminate duplicates Z: 16 20.369 2.053 0.248 0.887 1.000 0.867 CA 1.480 16 residues pruned to eliminate duplicates Z: 27 27.356 1.841 0.567 0.874 0.962 0.769 CB 1.407 28 residues pruned to eliminate duplicates Z: 19 21.855 1.933 0.533 0.878 0.944 0.778 CB 1.337 19 residues pruned to eliminate duplicates Z: 11 13.461 1.861 0.540 0.886 0.900 0.700 CB 1.191 Z: 17 28.670 1.996 0.742 0.884 1.000 0.938 CB 1.490 17 residues pruned to eliminate duplicates Z: 24 45.441 2.156 0.942 0.915 1.000 0.783 CB 1.599 24 residues pruned to eliminate duplicates Z: 13 22.906 1.967 0.579 0.933 1.000 1.000 CA 1.486 13 residues pruned to eliminate duplicates Z: 20 14.820 1.894 -0.044 0.916 1.000 0.947 CB 1.326 20 residues pruned to eliminate duplicates Z: 27 35.129 2.078 0.629 0.908 1.000 0.769 CB 1.445 27 residues pruned to eliminate duplicates Z: 25 38.852 2.072 0.682 0.912 1.000 0.875 CB 1.612 25 residues pruned to eliminate duplicates Z: 8 20.713 2.048 0.629 0.875 1.000 0.857 CA 1.706 8 residues pruned to eliminate duplicates Z: 25 30.265 1.816 0.775 0.888 1.000 0.625 CB 1.380 25 residues pruned to eliminate duplicates Z: 12 11.729 1.831 0.340 0.850 0.818 0.727 CB 1.305 11 residues pruned to eliminate duplicates Z: 21 27.842 2.102 0.632 0.923 1.000 0.900 CB 1.275 21 residues pruned to eliminate duplicates Z: 9 23.549 2.026 0.785 0.905 1.000 0.625 N 1.639 9 residues pruned to eliminate duplicates Z: 30 22.672 1.829 0.638 0.882 0.897 0.828 CB 1.134 31 residues pruned to eliminate duplicates Z: 30 33.473 1.974 0.733 0.880 0.966 0.862 CB 1.364 30 residues pruned to eliminate duplicates Z: 12 16.634 1.790 0.732 0.893 0.909 0.727 CB 1.278 13 residues pruned to eliminate duplicates Z: 13 13.408 1.824 0.293 0.840 1.000 0.583 CB 1.226 Z: 27 17.339 1.699 0.334 0.853 0.962 0.692 CB 1.154 15 residues pruned to eliminate duplicates Z: 16 28.593 2.160 0.752 0.901 1.000 0.733 CB 1.393 16 residues pruned to eliminate duplicates Z: 20 26.282 1.905 0.593 0.876 1.000 0.895 CB 1.443 20 residues pruned to eliminate duplicates Z: 14 22.677 1.905 0.606 0.890 1.000 0.769 CA 1.479 13 residues pruned to eliminate duplicates Z: 26 24.588 1.966 0.379 0.860 0.960 0.880 CB 1.389 26 residues pruned to eliminate duplicates Z: 20 29.803 1.934 0.795 0.842 0.947 0.684 CB 1.549 20 residues pruned to eliminate duplicates Z: 28 32.913 1.828 0.802 0.903 1.000 0.815 CB 1.371 29 residues pruned to eliminate duplicates Z: 21 23.280 1.907 0.446 0.893 1.000 0.850 CB 1.355 21 residues pruned to eliminate duplicates Z: 26 29.426 1.865 0.688 0.899 1.000 0.800 CB 1.337 25 residues pruned to eliminate duplicates Z: 29 18.190 1.749 0.445 0.873 0.964 0.821 CB 1.027 28 residues pruned to eliminate duplicates Z: 25 28.460 1.906 0.606 0.897 1.000 0.792 CB 1.358 25 residues pruned to eliminate duplicates Z: 25 28.056 2.068 0.541 0.942 1.000 0.833 CB 1.246 25 residues pruned to eliminate duplicates Z: 16 28.770 2.046 0.578 0.919 1.000 1.000 CB 1.621 16 residues pruned to eliminate duplicates Z: 19 28.139 1.897 0.871 0.888 1.000 0.889 CB 1.347 19 residues pruned to eliminate duplicates Z: 27 36.841 2.082 0.851 0.906 0.962 0.769 CB 1.387 27 residues pruned to eliminate duplicates Z: 24 23.285 1.991 0.386 0.889 1.000 0.783 CB 1.266 25 residues pruned to eliminate duplicates Z: 12 13.795 1.672 0.558 0.908 1.000 0.727 CB 1.134 10 residues pruned to eliminate duplicates Z: 24 31.836 1.911 0.838 0.905 0.957 0.739 CB 1.406 25 residues pruned to eliminate duplicates Z: 16 32.069 2.082 0.759 0.922 1.000 0.933 CB 1.590 16 residues pruned to eliminate duplicates Z: 9 15.836 1.934 0.742 0.923 1.000 0.625 CB 1.168 9 residues pruned to eliminate duplicates Z: 20 19.841 1.918 0.315 0.848 0.947 0.789 CB 1.413 20 residues pruned to eliminate duplicates Z: 26 26.445 2.005 0.555 0.901 0.960 0.840 CB 1.262 25 residues pruned to eliminate duplicates Z: 14 16.033 1.932 0.496 0.810 0.769 0.769 CA 1.526 14 residues pruned to eliminate duplicates Z: 10 13.511 1.721 0.466 0.842 1.000 0.889 CB 1.330 10 residues pruned to eliminate duplicates Z: 15 26.385 2.052 1.053 0.935 0.929 0.786 CB 1.256 15 residues pruned to eliminate duplicates Z: 24 26.636 2.023 0.930 0.917 0.957 0.522 CB 1.049 24 residues pruned to eliminate duplicates Z: 29 32.411 1.980 0.593 0.869 0.964 0.786 CA 1.471 29 residues pruned to eliminate duplicates Z: 20 22.600 1.928 0.386 0.878 1.000 0.842 CB 1.407 20 residues pruned to eliminate duplicates Z: 21 24.466 1.880 0.627 0.865 1.000 0.900 CB 1.311 21 residues pruned to eliminate duplicates Z: 15 26.397 2.040 0.625 0.921 1.000 0.857 CB 1.497 15 residues pruned to eliminate duplicates Z: 21 8.188 1.707 0.385 0.450 0.850 0.400 CB 0.960 21 residues pruned to eliminate duplicates Z: 18 31.803 2.125 0.569 0.921 1.000 0.941 CB 1.628 18 residues pruned to eliminate duplicates Z: 20 25.507 1.938 0.566 0.901 1.000 0.947 CB 1.375 20 residues pruned to eliminate duplicates Z: 19 27.409 1.994 0.471 0.945 1.000 1.000 CB 1.525 19 residues pruned to eliminate duplicates Z: 26 28.165 1.905 0.618 0.914 0.960 0.880 CB 1.346 26 residues pruned to eliminate duplicates Z: 15 12.623 1.622 0.399 0.881 1.000 0.786 CB 1.077 13 residues pruned to eliminate duplicates Z: 9 16.799 2.026 0.377 0.870 0.875 0.875 CA 1.776 9 residues pruned to eliminate duplicates Z: 16 19.442 1.889 0.370 0.878 1.000 0.933 CB 1.407 16 residues pruned to eliminate duplicates Z: 9 14.008 1.856 0.366 0.905 1.000 1.000 CB 1.390 9 residues pruned to eliminate duplicates Z: 12 20.128 1.894 0.672 0.844 1.000 0.727 CA 1.425 12 residues pruned to eliminate duplicates Z: 20 24.656 1.929 0.570 0.895 0.947 0.789 CB 1.413 20 residues pruned to eliminate duplicates Z: 14 14.056 1.802 0.266 0.896 0.923 0.846 CB 1.327 13 residues pruned to eliminate duplicates Z: 25 31.096 2.059 0.772 0.899 1.000 0.875 CB 1.243 26 residues pruned to eliminate duplicates Z: 11 18.069 1.952 0.511 0.819 0.900 0.700 N 1.632 11 residues pruned to eliminate duplicates Z: 16 21.817 1.999 0.392 0.903 1.000 0.933 CB 1.443 16 residues pruned to eliminate duplicates Z: 25 28.086 1.899 0.605 0.901 1.000 0.750 CB 1.342 25 residues pruned to eliminate duplicates Z: 24 49.520 2.172 1.126 0.934 1.000 0.783 CB 1.559 26 residues pruned to eliminate duplicates Z: 20 24.341 1.951 0.429 0.918 1.000 0.895 CB 1.413 20 residues pruned to eliminate duplicates Z: 30 30.883 1.904 0.767 0.906 0.966 0.828 CB 1.256 30 residues pruned to eliminate duplicates Z: 25 32.869 2.039 1.007 0.858 1.000 0.667 CB 1.207 24 residues pruned to eliminate duplicates Z: 7 7.732 1.762 0.310 0.877 0.833 0.667 CB 1.192 Z: 12 9.690 1.771 0.330 0.783 0.909 0.727 CB 1.063 12 residues pruned to eliminate duplicates Z: 15 11.619 1.745 0.444 0.834 1.000 0.643 CB 0.924 15 residues pruned to eliminate duplicates Z: 24 43.132 2.173 0.883 0.950 1.000 0.870 CB 1.515 24 residues pruned to eliminate duplicates Z: 27 31.184 2.044 0.566 0.915 0.962 0.923 CB 1.405 27 residues pruned to eliminate duplicates Z: 21 22.423 1.889 0.441 0.924 1.000 0.900 CB 1.294 20 residues pruned to eliminate duplicates Z: 45 21.786 1.786 0.642 0.640 0.841 0.545 CB 1.168 37 residues pruned to eliminate duplicates Z: 14 12.024 1.717 0.205 0.920 1.000 1.000 CB 1.135 14 residues pruned to eliminate duplicates Z: 10 14.675 1.919 0.670 0.910 0.889 0.889 CB 1.217 11 residues pruned to eliminate duplicates Z: 25 38.240 2.094 0.761 0.878 1.000 0.875 CB 1.537 25 residues pruned to eliminate duplicates Z: 13 14.698 1.797 0.453 0.879 1.000 0.833 CB 1.178 13 residues pruned to eliminate duplicates Z: 17 29.445 2.051 0.873 0.907 1.000 0.688 CB 1.362 17 residues pruned to eliminate duplicates Z: 15 10.810 1.656 0.100 0.916 1.000 0.857 CB 1.121 15 residues pruned to eliminate duplicates Z: 23 21.078 1.780 1.063 0.820 0.864 0.545 CB 1.073 23 residues pruned to eliminate duplicates Z: 8 9.796 2.062 0.005 0.879 1.000 0.857 CB 1.296 8 residues pruned to eliminate duplicates Z: 14 10.865 1.720 0.400 0.784 0.923 0.692 CB 1.056 13 residues pruned to eliminate duplicates Z: 6 9.704 1.760 0.495 0.881 1.000 1.000 CB 1.194 13 residues pruned to eliminate duplicates Z: 7 8.616 2.074 -0.085 0.894 1.000 1.000 CB 1.328 7 residues pruned to eliminate duplicates Z: 8 20.512 1.990 0.571 0.873 1.000 1.000 N 1.807 8 residues pruned to eliminate duplicates Z: 9 7.024 1.606 0.883 0.708 0.875 0.750 CB 0.777 9 residues pruned to eliminate duplicates Z: 9 11.269 1.692 0.569 0.860 1.000 0.750 CB 1.104 9 residues pruned to eliminate duplicates Z: 20 19.718 1.885 0.736 0.923 0.895 0.842 CB 1.085 20 residues pruned to eliminate duplicates Z: 19 23.661 1.948 0.534 0.930 1.000 0.889 CB 1.305 19 residues pruned to eliminate duplicates Z: 20 17.961 1.752 0.365 0.865 0.947 0.947 CA 1.332 20 residues pruned to eliminate duplicates Z: 29 19.341 1.737 0.544 0.887 0.964 0.679 CB 1.019 30 residues pruned to eliminate duplicates Z: 23 19.477 1.984 0.246 0.922 1.000 0.864 CB 1.181 23 residues pruned to eliminate duplicates Z: 19 12.664 1.723 0.409 0.772 0.944 0.667 CB 1.024 19 residues pruned to eliminate duplicates Z: 12 14.988 1.772 0.727 0.878 1.000 0.636 CB 1.072 12 residues pruned to eliminate duplicates Z: 30 16.780 1.710 0.441 0.846 0.931 0.759 CB 1.009 30 residues pruned to eliminate duplicates Z: 9 18.621 1.847 0.813 0.903 1.000 0.750 CB 1.401 Z: 19 33.645 1.953 0.820 0.886 1.000 0.833 CB 1.610 19 residues pruned to eliminate duplicates Z: 19 10.076 1.784 0.365 0.560 0.944 0.778 CB 0.974 13 residues pruned to eliminate duplicates Z: 12 11.427 1.638 0.246 0.860 1.000 0.909 O 1.242 12 residues pruned to eliminate duplicates Z: 19 24.122 1.962 0.454 0.927 1.000 0.944 CB 1.396 19 residues pruned to eliminate duplicates Z: 28 33.212 1.925 0.816 0.949 1.000 0.889 CB 1.262 28 residues pruned to eliminate duplicates Z: 19 28.570 1.884 0.943 0.924 1.000 0.778 CB 1.291 19 residues pruned to eliminate duplicates Z: 26 23.927 1.813 0.883 0.891 0.840 0.360 CB 1.200 26 residues pruned to eliminate duplicates Z: 21 19.057 1.857 0.573 0.829 0.900 0.600 CB 1.220 21 residues pruned to eliminate duplicates Z: 7 2.568 1.513 0.281 0.445 0.833 0.667 CB 0.687 Z: 25 34.401 1.881 0.823 0.924 1.000 0.667 CB 1.437 25 residues pruned to eliminate duplicates Z: 30 23.528 1.895 0.342 0.909 1.000 0.931 CB 1.220 30 residues pruned to eliminate duplicates Z: 24 35.476 2.103 0.731 0.900 0.957 0.870 CB 1.517 24 residues pruned to eliminate duplicates Z: 34 22.387 1.799 0.679 0.647 0.879 0.667 CB 1.281 29 residues pruned to eliminate duplicates Z: 12 10.302 1.606 0.526 0.874 0.909 0.364 CB 1.015 12 residues pruned to eliminate duplicates Z: 24 26.870 2.009 0.643 0.911 1.000 0.652 CB 1.203 24 residues pruned to eliminate duplicates Z: 10 21.072 2.030 0.396 0.896 1.000 0.889 CA 1.775 10 residues pruned to eliminate duplicates Z: 25 34.835 2.060 1.025 0.862 1.000 0.667 CB 1.251 25 residues pruned to eliminate duplicates Z: 10 15.452 1.741 0.652 0.885 1.000 0.889 CB 1.293 10 residues pruned to eliminate duplicates Z: 21 16.978 1.810 0.166 0.902 1.000 0.950 CB 1.283 21 residues pruned to eliminate duplicates Z: 14 13.395 1.777 0.194 0.879 1.000 0.846 CB 1.270 14 residues pruned to eliminate duplicates Z: 27 38.374 2.090 0.837 0.922 1.000 0.923 CB 1.378 27 residues pruned to eliminate duplicates Z: 12 10.746 1.716 0.731 0.810 0.818 0.273 CB 1.018 9 residues pruned to eliminate duplicates Z: 20 31.535 1.962 1.008 0.918 0.947 0.526 CB 1.368 19 residues pruned to eliminate duplicates Z: 24 36.366 2.086 0.754 0.904 1.000 0.826 CB 1.476 24 residues pruned to eliminate duplicates Z: 16 28.146 2.093 0.729 0.876 1.000 0.733 CB 1.459 17 residues pruned to eliminate duplicates Z: 11 14.517 1.731 0.604 0.815 1.000 0.800 CB 1.257 11 residues pruned to eliminate duplicates Z: 10 11.628 1.678 0.504 0.831 1.000 0.778 CB 1.154 10 residues pruned to eliminate duplicates Z: 28 28.741 1.773 0.627 0.885 1.000 0.778 CB 1.384 28 residues pruned to eliminate duplicates Z: 13 17.223 1.864 0.318 0.932 1.000 1.000 CB 1.413 13 residues pruned to eliminate duplicates Z: 30 30.358 1.882 0.775 0.901 0.966 0.724 CB 1.247 30 residues pruned to eliminate duplicates Z: 15 25.439 1.928 0.756 0.909 1.000 0.857 CB 1.426 15 residues pruned to eliminate duplicates Z: 9 16.173 1.973 0.611 0.924 1.000 0.750 CB 1.264 9 residues pruned to eliminate duplicates Z: 31 31.464 1.869 0.973 0.903 1.000 0.467 CB 1.110 31 residues pruned to eliminate duplicates Z: 22 13.129 1.532 0.500 0.861 0.952 0.762 CB 0.962 14 residues pruned to eliminate duplicates Z: 9 13.780 1.960 0.664 0.779 1.000 0.875 CB 1.168 9 residues pruned to eliminate duplicates Z: 18 26.726 1.976 0.588 0.934 1.000 0.824 CB 1.441 18 residues pruned to eliminate duplicates Z: 15 9.530 1.716 0.347 0.890 1.000 0.929 CB 0.793 15 residues pruned to eliminate duplicates Z: 19 23.619 1.928 0.393 0.889 1.000 0.778 CB 1.492 19 residues pruned to eliminate duplicates Z: 21 22.873 2.026 0.223 0.921 1.000 0.950 CB 1.453 21 residues pruned to eliminate duplicates Z: 26 23.608 1.818 0.486 0.830 0.960 0.720 CB 1.368 26 residues pruned to eliminate duplicates Z: 19 25.554 2.041 0.433 0.870 1.000 0.722 CB 1.503 17 residues pruned to eliminate duplicates Z: 10 7.766 1.591 0.370 0.768 1.000 0.333 CB 0.936 5 residues pruned to eliminate duplicates Z: 21 29.926 1.892 0.758 0.924 1.000 0.850 CB 1.413 21 residues pruned to eliminate duplicates Z: 9 22.646 2.073 0.682 0.878 1.000 0.750 CB 1.667 9 residues pruned to eliminate duplicates Z: 14 30.868 2.053 1.006 0.932 1.000 0.692 CB 1.451 14 residues pruned to eliminate duplicates Z: 6 6.471 1.765 0.220 0.462 1.000 0.600 CB 1.398 6 residues pruned to eliminate duplicates Z: 10 14.866 1.764 0.558 0.900 1.000 1.000 CA 1.288 10 residues pruned to eliminate duplicates Z: 25 15.875 1.766 0.428 0.772 0.917 0.583 CB 1.102 25 residues pruned to eliminate duplicates Z: 32 25.975 1.859 0.438 0.886 0.968 0.871 CB 1.301 32 residues pruned to eliminate duplicates Z: 14 14.824 1.723 0.561 0.877 1.000 0.692 CB 1.110 14 residues pruned to eliminate duplicates Z: 14 6.063 1.495 0.355 0.467 0.923 0.615 CB 0.930 14 residues pruned to eliminate duplicates Z: 19 17.984 1.845 0.782 0.851 0.889 0.722 CB 1.073 19 residues pruned to eliminate duplicates Z: 26 37.010 2.080 0.993 0.915 0.960 0.760 CB 1.314 26 residues pruned to eliminate duplicates Z: 31 31.433 1.918 0.724 0.903 1.000 0.733 CB 1.237 31 residues pruned to eliminate duplicates Z: 23 23.388 2.063 0.292 0.950 1.000 0.955 CB 1.290 23 residues pruned to eliminate duplicates Z: 7 3.570 1.666 0.146 0.495 0.667 0.333 CB 1.151 Z: 6 3.188 1.652 0.300 0.602 0.800 0.600 CB 0.753 Z: 11 10.541 1.659 0.625 0.924 0.900 0.800 CB 0.965 11 residues pruned to eliminate duplicates Z: 27 28.077 1.791 0.836 0.839 0.962 0.615 CB 1.300 27 residues pruned to eliminate duplicates Z: 20 18.779 1.932 0.381 0.877 0.947 0.789 CB 1.237 20 residues pruned to eliminate duplicates Z: 13 19.631 1.951 0.840 0.799 0.833 0.583 CB 1.458 14 residues pruned to eliminate duplicates Z: 25 37.474 2.116 1.050 0.922 0.917 0.583 CB 1.353 25 residues pruned to eliminate duplicates Z: 19 35.494 1.971 0.965 0.937 0.944 0.667 CB 1.592 19 residues pruned to eliminate duplicates Z: 26 18.440 1.700 0.792 0.525 0.920 0.320 CB 1.284 27 residues pruned to eliminate duplicates Z: 16 8.555 1.792 0.200 0.567 0.867 0.533 CB 1.111 23 residues pruned to eliminate duplicates Z: 8 8.617 1.697 0.266 0.847 1.000 1.000 CB 1.126 8 residues pruned to eliminate duplicates Z: 13 20.821 1.958 0.440 0.863 1.000 0.667 CA 1.565 13 residues pruned to eliminate duplicates Z: 12 15.622 1.633 0.720 0.762 1.000 0.636 CB 1.329 9 residues pruned to eliminate duplicates Z: 9 14.323 1.972 0.496 0.887 1.000 0.500 CB 1.238 9 residues pruned to eliminate duplicates Z: 31 26.293 1.834 0.701 0.841 0.900 0.667 CB 1.275 32 residues pruned to eliminate duplicates Z: 26 32.760 2.102 0.515 0.899 1.000 0.920 CB 1.471 26 residues pruned to eliminate duplicates Z: 28 32.144 1.981 0.703 0.888 0.963 0.889 CB 1.372 28 residues pruned to eliminate duplicates Z: 15 26.516 2.163 0.655 0.928 1.000 0.857 CB 1.386 15 residues pruned to eliminate duplicates Z: 28 33.905 2.085 0.646 0.838 0.963 0.815 CB 1.476 28 residues pruned to eliminate duplicates Z: 15 23.150 2.115 0.524 0.884 0.929 0.857 CB 1.494 15 residues pruned to eliminate duplicates Z: 10 4.379 1.584 0.169 0.630 0.889 0.556 CB 0.785 Z: 12 17.018 2.090 0.192 0.926 1.000 1.000 CB 1.444 12 residues pruned to eliminate duplicates Z: 18 20.273 1.912 0.296 0.921 1.000 1.000 CB 1.396 18 residues pruned to eliminate duplicates Z: 13 13.234 1.753 0.264 0.875 1.000 0.833 CB 1.254 13 residues pruned to eliminate duplicates 6 1.564 1.259 0.484 0.861 0.800 0.800 CB 0.344 ? Z: 26 37.048 2.074 1.056 0.863 0.920 0.800 CB 1.386 26 residues pruned to eliminate duplicates Z: 18 11.735 1.615 0.492 0.869 1.000 0.529 CB 0.863 18 residues pruned to eliminate duplicates Z: 12 11.529 1.819 0.144 0.907 1.000 0.909 CB 1.188 12 residues pruned to eliminate duplicates Z: 27 17.877 1.746 0.618 0.846 0.923 0.577 CB 0.999 27 residues pruned to eliminate duplicates Z: 23 16.007 1.900 0.425 0.674 1.000 0.636 CB 1.073 26 residues pruned to eliminate duplicates Z: 16 24.901 1.992 0.695 0.864 1.000 0.600 CB 1.397 16 residues pruned to eliminate duplicates Z: 7 9.232 1.810 0.347 0.837 1.000 1.000 CB 1.156 7 residues pruned to eliminate duplicates Z: 8 19.037 1.870 0.904 0.882 1.000 1.000 CB 1.462 8 residues pruned to eliminate duplicates Z: 27 29.455 2.015 0.464 0.896 1.000 1.000 CB 1.403 27 residues pruned to eliminate duplicates Z: 7 9.682 1.728 0.307 0.854 1.000 0.833 CB 1.292 7 residues pruned to eliminate duplicates Z: 22 37.283 2.072 1.106 0.927 1.000 0.667 CB 1.307 24 residues pruned to eliminate duplicates Z: 26 21.695 1.843 0.328 0.886 0.960 0.880 CB 1.333 26 residues pruned to eliminate duplicates Z: 7 7.259 1.262 1.134 0.784 1.000 0.500 C 0.857 Z: 31 36.038 1.910 0.914 0.907 1.000 0.600 CB 1.279 39 residues pruned to eliminate duplicates Z: 26 24.241 1.878 0.569 0.862 0.960 0.680 CB 1.257 26 residues pruned to eliminate duplicates Z: 22 30.487 1.864 0.938 0.879 0.952 0.476 CB 1.401 22 residues pruned to eliminate duplicates Z: 26 25.895 1.909 0.609 0.883 1.000 0.880 CB 1.219 26 residues pruned to eliminate duplicates Z: 28 29.757 1.785 0.685 0.893 1.000 0.778 CA 1.368 28 residues pruned to eliminate duplicates Z: 25 41.667 2.090 1.260 0.911 0.958 0.583 CB 1.331 25 residues pruned to eliminate duplicates Z: 12 9.706 1.626 0.554 0.831 1.000 0.636 CB 0.870 12 residues pruned to eliminate duplicates Z: 26 15.809 1.709 0.547 0.868 0.920 0.760 CB 0.950 26 residues pruned to eliminate duplicates Z: 30 34.582 1.771 0.882 0.862 1.000 0.655 CB 1.414 32 residues pruned to eliminate duplicates Z: 26 33.248 1.795 0.914 0.928 0.960 0.480 CB 1.411 26 residues pruned to eliminate duplicates Z: 44 26.805 1.916 0.738 0.642 0.930 0.488 CB 1.155 44 residues pruned to eliminate duplicates Z: 20 24.831 1.931 0.849 0.926 0.947 0.789 CB 1.181 20 residues pruned to eliminate duplicates Z: 13 11.459 1.720 0.423 0.868 0.917 0.833 CB 1.077 13 residues pruned to eliminate duplicates Z: 15 27.042 2.184 0.652 0.899 0.929 0.714 CB 1.542 15 residues pruned to eliminate duplicates Z: 9 17.493 1.877 0.743 0.895 1.000 1.000 CB 1.355 12 residues pruned to eliminate duplicates Z: 8 6.125 1.503 0.286 0.665 0.857 0.714 CB 1.199 Z: 32 24.796 1.834 0.800 0.890 0.935 0.613 CB 1.037 32 residues pruned to eliminate duplicates Z: 18 28.695 1.943 0.849 0.938 1.000 0.882 CB 1.346 18 residues pruned to eliminate duplicates Z: 13 9.109 1.708 0.410 0.847 0.917 0.833 CB 0.885 13 residues pruned to eliminate duplicates Z: 11 13.335 1.688 0.550 0.872 1.000 0.600 CB 1.174 10 residues pruned to eliminate duplicates Z: 25 31.149 2.025 0.914 0.845 1.000 0.792 CB 1.220 25 residues pruned to eliminate duplicates Z: 18 8.239 1.598 0.663 0.559 0.824 0.412 CB 0.862 18 residues pruned to eliminate duplicates Z: 52 31.706 1.870 0.778 0.718 0.902 0.608 CB 1.215 57 residues pruned to eliminate duplicates Z: 17 15.521 1.986 0.304 0.841 0.812 0.812 CB 1.375 17 residues pruned to eliminate duplicates Z: 9 15.078 1.868 0.636 0.900 1.000 0.750 CB 1.247 9 residues pruned to eliminate duplicates Z: 15 17.889 1.958 0.187 0.798 1.000 1.000 CA 1.585 15 residues pruned to eliminate duplicates Z: 23 25.243 1.883 0.850 0.738 0.909 0.636 CB 1.372 23 residues pruned to eliminate duplicates Z: 8 2.315 1.504 0.592 0.290 0.571 0.429 CB 0.809 Z: 26 27.624 1.846 0.764 0.725 0.960 0.640 CB 1.442 17 residues pruned to eliminate duplicates Z: 20 21.932 1.715 0.790 0.693 0.947 0.737 CB 1.450 20 residues pruned to eliminate duplicates Z: 26 29.002 1.898 0.594 0.879 1.000 0.920 CB 1.390 26 residues pruned to eliminate duplicates Z: 19 12.000 1.764 0.288 0.700 0.944 0.556 CB 1.098 19 residues pruned to eliminate duplicates Z: 18 13.910 1.858 0.515 0.678 0.824 0.765 CB 1.236 18 residues pruned to eliminate duplicates Z: 31 32.437 1.911 0.930 0.897 1.000 0.667 CB 1.149 31 residues pruned to eliminate duplicates Z: 13 13.104 1.752 0.509 0.819 1.000 0.583 CB 1.084 13 residues pruned to eliminate duplicates Z: 15 16.738 1.794 0.746 0.663 0.857 0.429 CB 1.432 15 residues pruned to eliminate duplicates Z: 21 22.941 1.852 0.470 0.862 1.000 0.800 CB 1.384 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 19.156 1.848 0.404 0.702 0.900 0.700 CA 1.526 21 residues pruned to eliminate duplicates Z: 17 16.727 1.918 0.312 0.737 0.938 0.938 CB 1.433 17 residues pruned to eliminate duplicates Z: 16 26.042 2.082 0.568 0.867 1.000 0.867 CB 1.506 16 residues pruned to eliminate duplicates Z: 18 22.866 1.931 0.510 0.812 1.000 0.882 CB 1.449 18 residues pruned to eliminate duplicates Z: 28 17.856 1.784 0.494 0.536 0.889 0.519 CB 1.400 28 residues pruned to eliminate duplicates Z: 19 26.403 1.884 0.766 0.804 1.000 0.778 CB 1.435 18 residues pruned to eliminate duplicates Z: 16 27.176 2.043 0.753 0.929 1.000 0.867 CB 1.371 16 residues pruned to eliminate duplicates Z: 18 30.441 1.969 0.927 0.849 1.000 0.529 CB 1.443 18 residues pruned to eliminate duplicates Z: 16 29.243 2.059 0.982 0.903 1.000 0.800 CB 1.319 16 residues pruned to eliminate duplicates Z: 17 31.901 2.019 1.019 0.853 1.000 0.625 CB 1.447 16 residues pruned to eliminate duplicates Z: 14 23.882 2.035 0.774 0.836 0.923 0.308 CB 1.488 14 residues pruned to eliminate duplicates Z: 18 20.594 1.989 0.684 0.631 0.941 0.412 CB 1.401 18 residues pruned to eliminate duplicates Z: 24 20.091 1.950 0.641 0.601 0.913 0.565 CB 1.303 24 residues pruned to eliminate duplicates Z: 32 24.527 1.872 0.625 0.665 0.935 0.742 CB 1.330 29 residues pruned to eliminate duplicates 6 1.149 1.614 0.184 0.300 0.400 0.000 O 0.841 ? 7 1.812 1.672 0.255 0.284 0.667 0.500 CB 0.675 ? Z: 7 4.841 1.760 0.390 0.440 0.833 0.833 CB 1.032 7 residues pruned to eliminate duplicates Z: 31 21.343 1.839 0.721 0.632 0.900 0.667 CB 1.208 31 residues pruned to eliminate duplicates Z: 31 18.422 1.838 0.548 0.609 0.867 0.633 CB 1.230 31 residues pruned to eliminate duplicates Z: 30 22.871 1.891 0.761 0.652 0.862 0.517 CB 1.284 30 residues pruned to eliminate duplicates Z: 31 23.336 1.865 0.605 0.643 0.867 0.767 CB 1.438 31 residues pruned to eliminate duplicates Z: 32 25.620 1.822 0.835 0.629 0.903 0.548 CB 1.350 32 residues pruned to eliminate duplicates Z: 31 20.839 1.809 0.625 0.621 0.867 0.667 CB 1.332 31 residues pruned to eliminate duplicates Z: 32 24.067 1.812 0.691 0.632 0.903 0.774 CB 1.380 32 residues pruned to eliminate duplicates Z: 23 15.882 1.817 0.726 0.490 0.818 0.636 CB 1.333 23 residues pruned to eliminate duplicates Z: 15 12.045 1.723 0.477 0.653 0.857 0.643 CB 1.281 15 residues pruned to eliminate duplicates Z: 21 20.343 1.924 0.335 0.770 1.000 0.850 CB 1.395 18 residues pruned to eliminate duplicates Z: 17 26.268 2.124 0.462 0.856 1.000 0.812 CB 1.560 19 residues pruned to eliminate duplicates Z: 17 30.298 2.086 0.689 0.859 1.000 0.625 CA 1.582 17 residues pruned to eliminate duplicates Z: 17 29.098 2.131 0.636 0.865 1.000 0.688 CB 1.529 17 residues pruned to eliminate duplicates Z: 18 25.918 2.086 0.618 0.827 0.941 0.706 CB 1.492 21 residues pruned to eliminate duplicates Z: 17 31.558 2.080 0.786 0.899 1.000 0.688 CB 1.518 17 residues pruned to eliminate duplicates Z: 18 30.721 2.116 0.710 0.854 1.000 0.765 CB 1.521 16 residues pruned to eliminate duplicates Z: 16 31.201 2.128 0.709 0.900 1.000 0.867 CB 1.582 16 residues pruned to eliminate duplicates Z: 21 27.654 2.034 0.696 0.757 0.950 0.800 CB 1.501 21 residues pruned to eliminate duplicates Z: 16 32.379 2.197 0.764 0.902 1.000 0.800 CB 1.539 16 residues pruned to eliminate duplicates Z: 16 32.786 2.167 0.905 0.906 1.000 0.667 CB 1.459 16 residues pruned to eliminate duplicates Z: 16 30.391 2.151 0.749 0.908 1.000 0.600 CB 1.481 16 residues pruned to eliminate duplicates Z: 18 23.942 2.011 0.797 0.815 0.941 0.588 CB 1.298 18 residues pruned to eliminate duplicates Z: 20 24.444 1.992 0.701 0.756 0.895 0.579 CB 1.472 20 residues pruned to eliminate duplicates Z: 18 28.691 2.040 0.756 0.873 1.000 0.588 CB 1.415 18 residues pruned to eliminate duplicates Z: 27 11.992 1.888 0.116 0.579 0.923 0.615 CB 1.120 27 residues pruned to eliminate duplicates 6 1.463 1.469 0.769 0.249 0.600 0.000 CB 0.560 ? Z: 61 23.011 1.844 0.575 0.536 0.850 0.533 CB 1.161 63 residues pruned to eliminate duplicates Z: 10 12.473 2.047 0.607 0.748 0.889 0.778 CB 1.139 10 residues pruned to eliminate duplicates Z: 43 25.086 1.972 0.438 0.714 0.929 0.667 CB 1.211 43 residues pruned to eliminate duplicates Z: 41 29.294 1.989 0.661 0.696 0.900 0.625 CB 1.302 41 residues pruned to eliminate duplicates Z: 40 21.444 1.915 0.504 0.547 0.923 0.564 CB 1.234 39 residues pruned to eliminate duplicates Z: 9 15.403 2.016 0.355 0.926 1.000 1.000 CA 1.398 9 residues pruned to eliminate duplicates Z: 40 23.054 1.947 0.579 0.620 0.872 0.641 CB 1.229 40 residues pruned to eliminate duplicates Z: 22 18.920 2.027 0.478 0.615 1.000 0.810 CB 1.236 22 residues pruned to eliminate duplicates Z: 40 21.220 1.868 0.564 0.607 0.923 0.692 CB 1.139 40 residues pruned to eliminate duplicates Z: 26 15.934 1.910 0.524 0.540 0.920 0.640 CB 1.145 26 residues pruned to eliminate duplicates Z: 42 29.310 2.018 0.697 0.660 0.927 0.756 CB 1.243 42 residues pruned to eliminate duplicates Z: 45 31.028 1.931 0.771 0.664 0.909 0.727 CB 1.292 45 residues pruned to eliminate duplicates Z: 24 15.654 1.956 0.430 0.620 0.957 0.652 CB 1.090 24 residues pruned to eliminate duplicates Z: 23 17.351 1.956 0.422 0.603 1.000 0.682 CB 1.206 23 residues pruned to eliminate duplicates Z: 37 18.345 1.841 0.481 0.550 0.889 0.667 CB 1.201 37 residues pruned to eliminate duplicates Z: 22 17.959 2.020 0.564 0.656 1.000 0.810 CB 1.073 22 residues pruned to eliminate duplicates Z: 23 18.155 1.978 0.396 0.649 0.955 0.818 CB 1.277 23 residues pruned to eliminate duplicates Z: 12 9.612 1.914 0.488 0.577 0.818 0.818 CB 1.155 12 residues pruned to eliminate duplicates Z: 23 15.902 1.911 0.551 0.623 0.955 0.636 CB 1.067 23 residues pruned to eliminate duplicates Z: 48 27.653 1.954 0.616 0.626 0.894 0.638 CB 1.269 48 residues pruned to eliminate duplicates Z: 47 26.680 1.893 0.567 0.636 0.935 0.565 CB 1.249 47 residues pruned to eliminate duplicates Z: 48 26.723 1.896 0.546 0.662 0.915 0.681 CB 1.251 48 residues pruned to eliminate duplicates Z: 43 31.040 1.943 0.654 0.685 0.952 0.690 CB 1.320 43 residues pruned to eliminate duplicates Z: 43 27.598 1.916 0.482 0.710 0.952 0.762 CB 1.300 43 residues pruned to eliminate duplicates Z: 43 26.044 1.907 0.620 0.671 0.929 0.690 CB 1.196 43 residues pruned to eliminate duplicates Z: 36 25.767 1.959 0.635 0.644 0.943 0.657 CB 1.260 36 residues pruned to eliminate duplicates Z: 48 28.486 1.891 0.671 0.668 0.957 0.660 CB 1.176 48 residues pruned to eliminate duplicates Z: 40 25.581 1.926 0.666 0.602 0.974 0.692 CB 1.188 40 residues pruned to eliminate duplicates Z: 34 22.919 1.905 0.805 0.633 0.879 0.545 CB 1.165 34 residues pruned to eliminate duplicates Z: 42 27.489 1.922 0.778 0.684 0.927 0.463 CB 1.145 42 residues pruned to eliminate duplicates Z: 49 32.934 1.916 0.682 0.729 0.917 0.625 CB 1.309 49 residues pruned to eliminate duplicates Z: 42 28.642 1.964 0.629 0.682 0.951 0.610 CB 1.244 42 residues pruned to eliminate duplicates Z: 37 25.042 1.884 0.769 0.613 0.889 0.500 CB 1.266 37 residues pruned to eliminate duplicates Z: 45 25.789 1.881 0.797 0.668 0.932 0.409 CB 1.057 45 residues pruned to eliminate duplicates Z: 49 25.029 1.887 0.570 0.618 0.938 0.604 CB 1.164 49 residues pruned to eliminate duplicates Z: 23 16.517 1.829 0.642 0.711 0.818 0.455 CB 1.184 23 residues pruned to eliminate duplicates Z: 50 28.998 1.875 0.705 0.724 0.959 0.673 CB 1.103 50 residues pruned to eliminate duplicates Z: 19 12.663 1.667 0.435 0.603 0.889 0.333 CB 1.273 19 residues pruned to eliminate duplicates Z: 18 17.130 1.735 0.502 0.769 1.000 0.647 CB 1.257 18 residues pruned to eliminate duplicates Z: 18 17.980 1.762 0.655 0.789 0.882 0.529 CB 1.315 18 residues pruned to eliminate duplicates Z: 49 33.204 1.936 0.746 0.759 0.958 0.646 CB 1.175 49 residues pruned to eliminate duplicates Z: 50 33.073 1.910 0.737 0.745 0.959 0.653 CB 1.193 50 residues pruned to eliminate duplicates Z: 27 31.653 1.847 1.029 0.871 0.962 0.346 CB 1.257 27 residues pruned to eliminate duplicates Z: 22 15.358 1.684 0.579 0.701 0.810 0.476 CB 1.297 22 residues pruned to eliminate duplicates Z: 29 29.379 1.801 0.855 0.800 0.964 0.536 CB 1.326 29 residues pruned to eliminate duplicates Z: 78 31.005 1.854 0.468 0.679 0.870 0.610 CB 1.265 78 residues pruned to eliminate duplicates Z: 14 8.964 1.605 0.577 0.518 0.846 0.308 CB 1.140 14 residues pruned to eliminate duplicates Z: 49 26.788 1.900 0.720 0.650 0.896 0.542 CB 1.149 49 residues pruned to eliminate duplicates Z: 18 14.200 1.733 0.772 0.787 0.765 0.471 CB 1.139 18 residues pruned to eliminate duplicates Z: 28 19.547 1.831 0.570 0.640 0.852 0.593 CB 1.347 28 residues pruned to eliminate duplicates Z: 51 23.098 1.785 0.485 0.599 0.880 0.560 CB 1.275 51 residues pruned to eliminate duplicates Z: 52 34.050 1.867 0.582 0.758 0.941 0.647 CB 1.364 54 residues pruned to eliminate duplicates Z: 31 23.597 1.768 0.800 0.745 0.867 0.433 CB 1.255 31 residues pruned to eliminate duplicates Z: 20 23.153 1.981 0.529 0.811 0.947 0.895 CB 1.412 20 residues pruned to eliminate duplicates Z: 42 17.399 1.821 0.153 0.642 0.854 0.585 CB 1.328 42 residues pruned to eliminate duplicates Z: 33 19.603 1.877 0.340 0.640 0.938 0.719 CB 1.289 33 residues pruned to eliminate duplicates Z: 28 23.820 1.979 0.329 0.828 0.963 0.889 CB 1.363 28 residues pruned to eliminate duplicates Z: 37 20.343 1.833 0.431 0.705 0.861 0.639 CB 1.246 35 residues pruned to eliminate duplicates Z: 30 27.127 1.909 0.607 0.884 0.897 0.690 CB 1.323 30 residues pruned to eliminate duplicates Z: 24 17.031 1.816 0.519 0.683 0.913 0.609 CB 1.192 24 residues pruned to eliminate duplicates Z: 15 17.763 1.878 0.709 0.716 0.929 0.714 CB 1.309 15 residues pruned to eliminate duplicates Z: 71 33.058 1.871 0.597 0.738 0.929 0.557 CB 1.151 71 residues pruned to eliminate duplicates Z: 34 21.699 1.902 0.492 0.637 0.939 0.697 CB 1.246 34 residues pruned to eliminate duplicates Z: 40 24.058 1.841 0.628 0.672 0.897 0.564 CB 1.223 37 residues pruned to eliminate duplicates Z: 20 24.786 1.937 0.713 0.860 0.895 0.632 CB 1.408 20 residues pruned to eliminate duplicates Z: 29 23.431 1.920 0.494 0.713 0.929 0.714 CB 1.371 29 residues pruned to eliminate duplicates Z: 76 30.422 1.868 0.521 0.654 0.853 0.587 CB 1.255 76 residues pruned to eliminate duplicates Z: 84 35.584 1.864 0.620 0.682 0.892 0.651 CB 1.227 84 residues pruned to eliminate duplicates Z: 33 29.965 1.928 0.749 0.793 0.969 0.625 CB 1.254 37 residues pruned to eliminate duplicates Z: 20 24.523 1.951 0.572 0.901 0.947 0.842 CB 1.383 20 residues pruned to eliminate duplicates Z: 43 22.846 1.839 0.565 0.672 0.929 0.619 CB 1.126 43 residues pruned to eliminate duplicates Z: 28 24.221 1.910 0.618 0.878 0.889 0.778 CB 1.231 28 residues pruned to eliminate duplicates Z: 45 22.056 1.815 0.531 0.612 0.886 0.591 CB 1.214 45 residues pruned to eliminate duplicates Z: 38 24.670 1.882 0.487 0.697 0.919 0.676 CB 1.317 38 residues pruned to eliminate duplicates Z: 33 29.703 1.934 0.629 0.773 1.000 0.812 CB 1.309 33 residues pruned to eliminate duplicates Z: 38 25.485 1.846 0.678 0.681 0.946 0.649 CB 1.211 38 residues pruned to eliminate duplicates Z: 36 28.238 1.923 0.653 0.783 0.943 0.629 CB 1.241 36 residues pruned to eliminate duplicates Z: 35 25.397 1.852 0.609 0.726 0.882 0.735 CB 1.351 35 residues pruned to eliminate duplicates Z: 84 34.964 1.855 0.620 0.654 0.928 0.554 CB 1.192 84 residues pruned to eliminate duplicates Z: 46 20.281 1.777 0.588 0.600 0.822 0.356 CB 1.184 46 residues pruned to eliminate duplicates Z: 38 26.705 1.869 0.702 0.690 0.919 0.622 CB 1.262 38 residues pruned to eliminate duplicates Z: 36 31.805 1.906 0.758 0.814 0.943 0.600 CB 1.295 36 residues pruned to eliminate duplicates Z: 34 26.938 1.930 0.595 0.782 0.909 0.758 CB 1.308 34 residues pruned to eliminate duplicates Z: 38 28.844 1.861 0.658 0.773 0.919 0.730 CB 1.315 38 residues pruned to eliminate duplicates Z: 31 18.373 1.876 0.414 0.598 0.833 0.700 CB 1.381 31 residues pruned to eliminate duplicates Z: 25 21.824 1.894 0.390 0.718 0.958 0.792 CB 1.450 25 residues pruned to eliminate duplicates Z: 24 21.653 1.878 0.494 0.750 0.957 0.783 CB 1.346 24 residues pruned to eliminate duplicates Z: 26 19.960 1.842 0.400 0.653 0.960 0.760 CB 1.398 27 residues pruned to eliminate duplicates Z: 7 10.770 1.807 0.375 0.878 1.000 1.000 CA 1.285 7 residues pruned to eliminate duplicates Z: 25 22.368 1.927 0.607 0.671 0.917 0.708 CB 1.374 25 residues pruned to eliminate duplicates Z: 27 23.002 1.836 0.583 0.702 0.962 0.769 CB 1.343 27 residues pruned to eliminate duplicates Z: 19 22.875 1.953 0.642 0.676 1.000 0.778 CB 1.430 19 residues pruned to eliminate duplicates Z: 20 24.652 1.952 0.472 0.849 1.000 0.737 CA 1.459 20 residues pruned to eliminate duplicates Z: 20 22.615 1.906 0.614 0.649 1.000 0.632 CB 1.469 20 residues pruned to eliminate duplicates Z: 23 22.394 1.949 0.403 0.715 1.000 0.818 CB 1.436 23 residues pruned to eliminate duplicates Z: 25 24.140 1.908 0.503 0.738 1.000 0.833 CB 1.388 25 residues pruned to eliminate duplicates Z: 24 22.880 1.893 0.512 0.723 0.957 0.652 CA 1.424 24 residues pruned to eliminate duplicates Z: 27 25.575 1.908 0.618 0.674 0.962 0.769 CB 1.439 27 residues pruned to eliminate duplicates Z: 30 29.339 1.914 0.540 0.881 1.000 0.931 CB 1.338 30 residues pruned to eliminate duplicates Z: 27 22.167 1.859 0.579 0.672 0.923 0.692 CB 1.368 27 residues pruned to eliminate duplicates Z: 25 28.051 1.951 0.808 0.711 1.000 0.708 CB 1.340 25 residues pruned to eliminate duplicates Z: 28 27.877 1.941 0.814 0.700 0.963 0.667 CB 1.319 28 residues pruned to eliminate duplicates Z: 28 27.258 1.914 0.760 0.752 0.963 0.556 CB 1.291 28 residues pruned to eliminate duplicates Z: 17 14.255 1.854 0.597 0.456 0.875 0.375 N 1.440 17 residues pruned to eliminate duplicates Z: 18 11.225 1.754 0.704 0.422 0.765 0.471 CB 1.292 18 residues pruned to eliminate duplicates Z: 25 19.633 1.834 0.711 0.754 0.875 0.542 CB 1.164 25 residues pruned to eliminate duplicates Z: 33 23.386 1.866 0.703 0.660 0.875 0.562 CB 1.281 33 residues pruned to eliminate duplicates Z: 14 13.605 1.769 0.739 0.558 0.923 0.308 N 1.256 14 residues pruned to eliminate duplicates Z: 35 30.962 1.913 0.867 0.771 0.971 0.676 CB 1.205 35 residues pruned to eliminate duplicates Z: 36 34.032 1.915 0.989 0.854 0.971 0.629 CB 1.149 36 residues pruned to eliminate duplicates Z: 21 22.778 1.905 1.044 0.854 0.950 0.600 CB 1.017 21 residues pruned to eliminate duplicates Z: 21 19.570 1.860 0.963 0.873 0.850 0.750 CB 1.027 21 residues pruned to eliminate duplicates Z: 23 14.796 1.773 0.605 0.636 0.864 0.727 CB 1.130 23 residues pruned to eliminate duplicates Z: 59 24.605 1.755 0.516 0.661 0.879 0.621 CB 1.189 60 residues pruned to eliminate duplicates Z: 31 29.319 1.884 1.032 0.905 0.933 0.567 CB 1.066 31 residues pruned to eliminate duplicates Z: 16 12.880 1.735 0.820 0.707 0.867 0.800 CB 1.007 16 residues pruned to eliminate duplicates Z: 35 23.202 1.847 0.745 0.708 0.912 0.529 CB 1.121 35 residues pruned to eliminate duplicates Z: 41 27.546 1.853 0.835 0.739 0.950 0.750 CB 1.088 41 residues pruned to eliminate duplicates Z: 25 12.144 1.589 0.851 0.552 0.708 0.500 CB 1.131 25 residues pruned to eliminate duplicates Z: 63 32.151 1.861 0.724 0.675 0.855 0.516 CB 1.267 63 residues pruned to eliminate duplicates Z: 24 18.332 1.885 0.613 0.626 0.957 0.652 CB 1.167 24 residues pruned to eliminate duplicates Z: 18 8.105 1.746 0.447 0.674 0.765 0.471 CB 0.867 18 residues pruned to eliminate duplicates Z: 37 24.999 1.850 0.715 0.699 0.889 0.556 CB 1.232 37 residues pruned to eliminate duplicates Z: 20 22.988 1.908 0.827 0.775 0.947 0.632 CB 1.253 20 residues pruned to eliminate duplicates Z: 19 23.212 2.000 0.648 0.773 0.944 0.722 CB 1.381 19 residues pruned to eliminate duplicates Z: 40 31.156 1.879 0.773 0.790 0.949 0.692 CB 1.224 40 residues pruned to eliminate duplicates Z: 74 34.874 1.837 0.693 0.659 0.863 0.616 CB 1.312 74 residues pruned to eliminate duplicates Z: 51 35.717 1.870 0.591 0.791 0.960 0.640 CB 1.370 51 residues pruned to eliminate duplicates Z: 37 23.209 1.858 0.686 0.667 0.806 0.472 CB 1.313 37 residues pruned to eliminate duplicates Z: 20 21.002 1.896 0.643 0.742 0.947 0.684 CB 1.315 20 residues pruned to eliminate duplicates Z: 30 26.792 1.922 0.728 0.838 0.897 0.621 CB 1.249 30 residues pruned to eliminate duplicates Z: 40 33.826 1.923 0.834 0.818 0.923 0.564 CB 1.262 40 residues pruned to eliminate duplicates Z: 81 44.664 1.897 0.744 0.741 0.938 0.650 CB 1.297 81 residues pruned to eliminate duplicates Z: 48 37.988 1.928 0.738 0.806 0.979 0.574 CB 1.294 48 residues pruned to eliminate duplicates Z: 70 43.076 1.899 0.713 0.803 0.928 0.725 CB 1.319 83 residues pruned to eliminate duplicates Z: 13 16.148 1.902 0.475 0.896 1.000 0.917 CB 1.191 13 residues pruned to eliminate duplicates Z: 35 28.671 1.858 0.696 0.725 0.941 0.735 CB 1.354 35 residues pruned to eliminate duplicates Z: 50 36.355 1.890 0.726 0.800 0.939 0.694 CB 1.304 50 residues pruned to eliminate duplicates Z: 44 29.016 1.872 0.556 0.704 0.907 0.581 CB 1.391 44 residues pruned to eliminate duplicates Z: 37 25.002 1.814 0.675 0.685 0.917 0.583 CB 1.263 37 residues pruned to eliminate duplicates Z: 54 26.125 1.830 0.556 0.656 0.849 0.585 CB 1.284 54 residues pruned to eliminate duplicates Z: 24 29.307 1.948 0.696 0.813 1.000 0.565 CB 1.408 24 residues pruned to eliminate duplicates Z: 36 25.724 1.862 0.606 0.748 0.943 0.600 CB 1.236 36 residues pruned to eliminate duplicates Z: 76 39.604 1.876 0.659 0.722 0.920 0.627 CB 1.307 76 residues pruned to eliminate duplicates Z: 38 30.362 1.843 0.596 0.796 0.973 0.595 CB 1.346 38 residues pruned to eliminate duplicates Z: 77 48.484 1.922 0.777 0.797 0.974 0.618 CB 1.290 77 residues pruned to eliminate duplicates Z: 83 51.585 1.935 0.853 0.781 0.951 0.561 CB 1.303 85 residues pruned to eliminate duplicates Z: 13 24.904 1.988 0.579 0.879 1.000 0.750 CA 1.662 13 residues pruned to eliminate duplicates Z: 48 34.814 1.869 0.773 0.756 0.894 0.617 CB 1.365 47 residues pruned to eliminate duplicates Z: 14 23.053 1.983 0.531 0.875 0.923 0.769 CA 1.660 14 residues pruned to eliminate duplicates Z: 37 29.201 1.855 0.609 0.785 0.944 0.722 CB 1.344 37 residues pruned to eliminate duplicates Z: 70 39.905 1.891 0.746 0.771 0.928 0.652 CB 1.234 70 residues pruned to eliminate duplicates Z: 51 34.250 1.899 0.779 0.755 0.920 0.500 CB 1.241 51 residues pruned to eliminate duplicates Z: 36 29.511 1.886 0.675 0.738 0.943 0.571 CB 1.353 36 residues pruned to eliminate duplicates Z: 60 39.435 1.894 0.729 0.759 0.949 0.610 CB 1.313 60 residues pruned to eliminate duplicates Z: 58 38.897 1.943 0.704 0.728 0.965 0.544 CB 1.313 58 residues pruned to eliminate duplicates Z: 83 45.190 1.915 0.647 0.778 0.951 0.622 CB 1.302 83 residues pruned to eliminate duplicates Z: 40 29.524 1.827 0.666 0.733 1.000 0.564 CB 1.260 40 residues pruned to eliminate duplicates Z: 41 26.389 1.840 0.637 0.684 0.900 0.575 CB 1.299 41 residues pruned to eliminate duplicates Z: 68 45.246 1.902 0.796 0.797 0.940 0.612 CB 1.327 68 residues pruned to eliminate duplicates Z: 62 38.923 1.877 0.754 0.764 0.918 0.721 CB 1.304 62 residues pruned to eliminate duplicates Z: 47 38.699 1.943 0.753 0.793 0.957 0.522 CB 1.355 47 residues pruned to eliminate duplicates Z: 41 26.131 1.844 0.586 0.695 0.975 0.550 CB 1.213 41 residues pruned to eliminate duplicates Z: 38 28.779 1.859 0.702 0.759 0.919 0.676 CB 1.293 38 residues pruned to eliminate duplicates Z: 11 8.802 1.656 0.377 0.786 0.900 0.700 CB 1.055 11 residues pruned to eliminate duplicates Z: 52 36.653 1.894 0.705 0.774 0.961 0.451 CB 1.298 52 residues pruned to eliminate duplicates Z: 58 31.748 1.876 0.485 0.732 0.965 0.544 CB 1.270 38 residues pruned to eliminate duplicates Z: 14 11.765 1.697 0.592 0.844 1.000 0.692 CB 0.898 14 residues pruned to eliminate duplicates Z: 95 42.494 1.901 0.553 0.723 0.915 0.596 CB 1.327 95 residues pruned to eliminate duplicates Z: 20 12.091 1.623 0.493 0.580 0.947 0.632 CB 1.119 20 residues pruned to eliminate duplicates Z: 59 27.772 1.838 0.589 0.704 0.897 0.517 CB 1.157 59 residues pruned to eliminate duplicates Z: 26 11.463 1.800 0.387 0.583 0.800 0.520 CB 1.060 26 residues pruned to eliminate duplicates Z: 109 38.279 1.848 0.601 0.641 0.880 0.602 CB 1.240 109 residues pruned to eliminate duplicates Z: 27 13.545 1.788 0.361 0.605 0.846 0.500 CB 1.168 27 residues pruned to eliminate duplicates Z: 14 10.853 1.701 0.055 0.888 1.000 1.000 CB 1.209 14 residues pruned to eliminate duplicates Z: 48 23.730 1.832 0.386 0.624 0.957 0.617 CB 1.267 48 residues pruned to eliminate duplicates Z: 18 11.078 1.771 0.273 0.573 0.882 0.588 CB 1.259 19 residues pruned to eliminate duplicates Z: 28 15.133 1.728 0.221 0.877 0.963 0.815 CB 1.041 28 residues pruned to eliminate duplicates Z: 16 12.460 1.811 0.367 0.688 1.000 0.667 CB 1.094 16 residues pruned to eliminate duplicates Z: 42 26.355 1.997 0.435 0.724 0.951 0.707 CB 1.234 40 residues pruned to eliminate duplicates Z: 22 12.183 1.677 0.320 0.798 0.905 0.524 CB 1.023 22 residues pruned to eliminate duplicates Z: 14 15.320 1.949 0.506 0.719 1.000 0.538 CB 1.188 14 residues pruned to eliminate duplicates Z: 22 12.892 1.809 0.361 0.683 0.952 0.619 CB 1.014 22 residues pruned to eliminate duplicates Z: 44 24.646 1.905 0.574 0.688 0.907 0.628 CB 1.164 44 residues pruned to eliminate duplicates Z: 41 28.086 1.979 0.522 0.721 0.900 0.675 CB 1.342 41 residues pruned to eliminate duplicates Z: 14 10.520 1.920 0.530 0.613 0.769 0.308 CB 1.160 14 residues pruned to eliminate duplicates Z: 42 28.109 1.964 0.476 0.755 0.951 0.707 CB 1.268 42 residues pruned to eliminate duplicates Z: 44 25.236 1.937 0.448 0.704 0.907 0.698 CB 1.256 44 residues pruned to eliminate duplicates Z: 27 23.503 1.943 0.279 0.839 1.000 0.846 CB 1.385 27 residues pruned to eliminate duplicates Z: 28 23.630 1.985 0.458 0.789 0.926 0.778 CB 1.316 28 residues pruned to eliminate duplicates Z: 29 23.007 2.012 0.457 0.780 0.964 0.786 CB 1.202 29 residues pruned to eliminate duplicates Z: 19 19.361 2.046 0.348 0.709 1.000 0.778 CB 1.369 19 residues pruned to eliminate duplicates Z: 42 24.831 1.948 0.383 0.706 0.902 0.561 CB 1.322 42 residues pruned to eliminate duplicates Z: 19 18.615 2.010 0.412 0.689 0.889 0.667 CB 1.462 19 residues pruned to eliminate duplicates Z: 49 23.918 1.869 0.399 0.693 0.938 0.583 CB 1.180 49 residues pruned to eliminate duplicates Z: 27 22.294 2.025 0.333 0.823 0.962 0.885 CB 1.273 27 residues pruned to eliminate duplicates Z: 38 24.066 2.030 0.445 0.720 0.838 0.649 CB 1.320 38 residues pruned to eliminate duplicates Z: 33 21.425 1.963 0.460 0.749 0.875 0.750 CB 1.209 33 residues pruned to eliminate duplicates Z: 46 24.614 1.939 0.491 0.716 0.911 0.689 CB 1.146 46 residues pruned to eliminate duplicates Z: 27 28.250 2.064 0.590 0.821 0.962 0.846 CB 1.330 27 residues pruned to eliminate duplicates Z: 32 21.519 1.960 0.440 0.698 0.968 0.710 CB 1.181 32 residues pruned to eliminate duplicates Z: 52 25.261 1.854 0.549 0.697 0.902 0.706 CB 1.140 52 residues pruned to eliminate duplicates Z: 26 31.258 2.071 0.843 0.810 1.000 0.760 CB 1.250 26 residues pruned to eliminate duplicates Z: 44 28.289 1.946 0.634 0.698 0.930 0.651 CB 1.217 44 residues pruned to eliminate duplicates Z: 29 28.794 2.022 0.766 0.748 0.964 0.714 CB 1.266 29 residues pruned to eliminate duplicates Z: 27 26.657 2.028 0.684 0.777 0.962 0.654 CB 1.247 27 residues pruned to eliminate duplicates Z: 30 28.077 1.975 0.676 0.741 0.966 0.655 CB 1.314 30 residues pruned to eliminate duplicates Z: 27 28.150 2.038 0.740 0.802 0.962 0.615 CB 1.244 27 residues pruned to eliminate duplicates Z: 45 30.321 1.919 0.614 0.697 0.955 0.568 CB 1.291 45 residues pruned to eliminate duplicates Z: 41 31.181 1.997 0.644 0.776 0.950 0.775 CB 1.239 41 residues pruned to eliminate duplicates Z: 44 25.596 1.916 0.640 0.672 0.884 0.465 CB 1.199 44 residues pruned to eliminate duplicates Z: 48 25.872 1.872 0.694 0.656 0.894 0.468 CB 1.152 48 residues pruned to eliminate duplicates Z: 53 30.688 1.942 0.701 0.677 0.885 0.558 CB 1.238 51 residues pruned to eliminate duplicates Z: 34 28.613 1.949 0.514 0.765 0.970 0.697 CB 1.376 34 residues pruned to eliminate duplicates Z: 35 28.187 1.955 0.653 0.751 0.882 0.824 CB 1.355 35 residues pruned to eliminate duplicates Z: 69 42.159 1.988 0.833 0.757 0.956 0.662 CB 1.168 69 residues pruned to eliminate duplicates Z: 28 38.103 2.044 0.976 0.876 0.963 0.852 CB 1.371 28 residues pruned to eliminate duplicates Z: 28 37.991 2.062 0.983 0.843 1.000 0.852 CB 1.331 28 residues pruned to eliminate duplicates Z: 68 47.064 2.014 0.762 0.779 0.970 0.731 CB 1.307 68 residues pruned to eliminate duplicates Z: 27 36.796 2.047 0.801 0.836 0.962 0.846 CB 1.524 27 residues pruned to eliminate duplicates Z: 27 40.837 2.057 0.939 0.844 0.962 0.885 CB 1.554 27 residues pruned to eliminate duplicates Z: 25 39.931 2.122 0.767 0.905 1.000 0.958 CB 1.547 25 residues pruned to eliminate duplicates Z: 30 38.868 2.042 0.858 0.883 0.966 0.828 CB 1.425 30 residues pruned to eliminate duplicates Z: 25 42.465 2.134 0.963 0.901 1.000 0.792 CB 1.477 25 residues pruned to eliminate duplicates Z: 29 35.739 2.039 0.871 0.832 0.929 0.750 CB 1.431 29 residues pruned to eliminate duplicates Z: 26 36.582 2.071 0.859 0.855 1.000 0.800 CB 1.402 26 residues pruned to eliminate duplicates Z: 25 39.717 2.104 0.958 0.886 0.958 0.750 CB 1.482 25 residues pruned to eliminate duplicates Z: 29 35.884 2.046 0.783 0.858 0.964 0.821 CB 1.419 29 residues pruned to eliminate duplicates Z: 25 40.584 2.116 0.814 0.914 1.000 0.833 CB 1.526 25 residues pruned to eliminate duplicates Z: 29 36.846 2.063 0.916 0.830 0.929 0.786 CB 1.426 29 residues pruned to eliminate duplicates Z: 26 43.047 2.099 1.009 0.861 1.000 0.720 CB 1.500 26 residues pruned to eliminate duplicates Z: 27 42.216 2.089 1.050 0.880 1.000 0.885 CB 1.400 27 residues pruned to eliminate duplicates Z: 54 41.590 2.001 0.950 0.761 0.906 0.717 CB 1.282 54 residues pruned to eliminate duplicates Z: 25 45.023 2.121 1.011 0.899 1.000 0.750 CB 1.540 25 residues pruned to eliminate duplicates Z: 25 47.363 2.133 1.110 0.901 1.000 0.667 CB 1.533 25 residues pruned to eliminate duplicates Z: 74 44.115 1.987 0.766 0.730 0.932 0.658 CB 1.285 74 residues pruned to eliminate duplicates Z: 27 37.092 2.086 0.817 0.906 1.000 0.846 CB 1.364 27 residues pruned to eliminate duplicates Z: 31 36.144 2.006 0.875 0.852 0.933 0.767 CB 1.390 27 residues pruned to eliminate duplicates Z: 26 39.627 2.084 1.025 0.913 0.960 0.880 CB 1.385 31 residues pruned to eliminate duplicates Z: 26 42.064 2.094 1.054 0.898 1.000 0.800 CB 1.400 26 residues pruned to eliminate duplicates Z: 8 4.580 1.487 0.173 0.673 1.000 0.857 CB 0.846 8 residues pruned to eliminate duplicates Z: 10 3.258 1.500 0.226 0.515 0.889 0.444 CB 0.655 10 residues pruned to eliminate duplicates Z: 10 9.002 1.643 0.345 0.870 1.000 0.889 CB 0.991 10 residues pruned to eliminate duplicates Z: 11 9.804 1.670 0.241 0.832 1.000 0.600 CB 1.123 11 residues pruned to eliminate duplicates Z: 11 8.381 1.642 0.267 0.853 0.900 0.800 CB 1.047 11 residues pruned to eliminate duplicates Z: 10 10.123 1.646 0.400 0.855 1.000 0.556 CB 1.080 10 residues pruned to eliminate duplicates Z: 10 8.382 1.692 0.348 0.831 1.000 0.333 CB 0.921 10 residues pruned to eliminate duplicates Z: 27 11.950 1.682 0.361 0.676 0.885 0.423 CB 0.984 27 residues pruned to eliminate duplicates Z: 16 3.996 1.554 -0.030 0.369 0.733 0.333 CB 1.074 16 residues pruned to eliminate duplicates Z: 26 14.240 1.722 0.213 0.732 1.000 0.600 CB 1.107 26 residues pruned to eliminate duplicates Z: 27 11.296 1.695 0.090 0.590 0.962 0.538 CB 1.144 27 residues pruned to eliminate duplicates Z: 25 15.511 1.727 0.371 0.758 0.917 0.708 CB 1.160 25 residues pruned to eliminate duplicates Z: 9 11.470 1.864 0.532 0.756 1.000 0.750 CB 1.131 9 residues pruned to eliminate duplicates Z: 15 13.811 1.761 0.555 0.717 0.929 0.571 CB 1.193 15 residues pruned to eliminate duplicates Z: 31 13.136 1.651 0.277 0.586 0.933 0.500 CB 1.122 31 residues pruned to eliminate duplicates Z: 27 15.630 1.752 0.351 0.713 0.962 0.615 CB 1.110 27 residues pruned to eliminate duplicates Z: 14 12.467 1.863 0.159 0.774 1.000 0.769 CB 1.258 14 residues pruned to eliminate duplicates Z: 15 13.135 1.802 0.369 0.743 0.929 0.643 CB 1.233 15 residues pruned to eliminate duplicates Z: 16 13.880 1.787 0.463 0.705 0.933 0.333 CB 1.219 16 residues pruned to eliminate duplicates Z: 16 12.447 1.774 0.490 0.707 0.867 0.533 CB 1.162 16 residues pruned to eliminate duplicates Z: 16 14.570 1.822 0.321 0.760 1.000 0.533 CB 1.240 14 residues pruned to eliminate duplicates Z: 14 14.164 1.824 0.275 0.861 1.000 0.769 CB 1.241 14 residues pruned to eliminate duplicates Z: 15 12.382 1.795 0.384 0.693 0.929 0.500 CB 1.202 15 residues pruned to eliminate duplicates Z: 49 33.879 1.941 0.534 0.754 0.958 0.688 CB 1.367 46 residues pruned to eliminate duplicates Z: 26 36.544 2.127 0.702 0.843 1.000 0.840 CB 1.504 26 residues pruned to eliminate duplicates Z: 26 32.383 2.131 0.636 0.837 1.000 0.880 CB 1.389 26 residues pruned to eliminate duplicates Z: 27 41.606 2.150 0.870 0.831 1.000 0.769 CB 1.524 27 residues pruned to eliminate duplicates Z: 51 30.247 1.908 0.533 0.736 0.900 0.680 CB 1.315 51 residues pruned to eliminate duplicates Z: 26 44.351 2.184 0.913 0.864 1.000 0.840 CB 1.558 26 residues pruned to eliminate duplicates Z: 31 37.684 2.112 0.921 0.788 0.900 0.733 CB 1.463 30 residues pruned to eliminate duplicates Z: 25 36.193 2.123 0.759 0.909 1.000 0.875 CB 1.404 25 residues pruned to eliminate duplicates Z: 27 40.343 2.133 0.771 0.845 1.000 0.808 CB 1.558 27 residues pruned to eliminate duplicates Z: 43 37.144 1.996 0.717 0.766 0.952 0.690 CB 1.387 43 residues pruned to eliminate duplicates Z: 33 35.824 2.053 0.850 0.775 0.969 0.719 CB 1.351 33 residues pruned to eliminate duplicates Z: 46 33.214 1.955 0.702 0.744 0.956 0.689 CB 1.251 46 residues pruned to eliminate duplicates Z: 45 35.450 1.977 0.776 0.764 0.909 0.727 CB 1.325 45 residues pruned to eliminate duplicates Z: 46 34.523 1.979 0.652 0.746 0.933 0.733 CB 1.353 46 residues pruned to eliminate duplicates Z: 53 30.584 1.949 0.672 0.669 0.865 0.635 CB 1.287 53 residues pruned to eliminate duplicates Z: 31 35.784 2.091 0.764 0.760 0.967 0.733 CB 1.454 31 residues pruned to eliminate duplicates Z: 49 34.539 1.948 0.671 0.729 0.958 0.708 CB 1.301 49 residues pruned to eliminate duplicates Z: 33 35.406 2.056 0.842 0.743 0.938 0.688 CB 1.418 33 residues pruned to eliminate duplicates Z: 45 36.382 2.026 0.728 0.768 0.909 0.750 CB 1.359 45 residues pruned to eliminate duplicates Z: 43 40.367 2.050 0.858 0.765 0.952 0.690 CB 1.357 43 residues pruned to eliminate duplicates Z: 56 35.512 1.946 0.719 0.746 0.909 0.691 CB 1.264 56 residues pruned to eliminate duplicates Z: 32 32.970 2.106 0.853 0.745 0.871 0.742 CB 1.399 32 residues pruned to eliminate duplicates Z: 45 36.926 2.010 0.725 0.775 0.932 0.705 CB 1.351 45 residues pruned to eliminate duplicates Z: 28 38.450 2.146 0.877 0.821 0.926 0.704 CB 1.502 28 residues pruned to eliminate duplicates Z: 28 39.815 2.130 0.982 0.777 0.963 0.630 CB 1.476 28 residues pruned to eliminate duplicates Z: 38 32.636 1.981 0.857 0.720 0.892 0.649 CB 1.341 36 residues pruned to eliminate duplicates Z: 35 34.861 1.948 0.802 0.807 0.971 0.824 CB 1.343 35 residues pruned to eliminate duplicates Z: 9 4.716 1.595 0.430 0.651 0.875 0.625 CB 0.726 9 residues pruned to eliminate duplicates Z: 37 33.631 1.977 0.830 0.741 0.917 0.694 CB 1.362 37 residues pruned to eliminate duplicates Z: 37 35.170 1.979 0.948 0.749 0.944 0.750 CB 1.288 37 residues pruned to eliminate duplicates Z: 8 5.767 1.641 0.589 0.804 0.714 0.571 CB 0.898 8 residues pruned to eliminate duplicates Z: 83 40.307 1.891 0.617 0.718 0.939 0.659 CB 1.272 83 residues pruned to eliminate duplicates Z: 28 24.444 1.821 0.584 0.800 0.963 0.741 CB 1.303 28 residues pruned to eliminate duplicates Z: 12 6.632 1.575 0.694 0.510 0.818 0.545 CB 0.907 12 residues pruned to eliminate duplicates Z: 54 41.721 1.992 0.609 0.794 0.962 0.679 CB 1.436 54 residues pruned to eliminate duplicates Z: 30 24.879 1.789 0.606 0.782 0.966 0.759 CB 1.299 30 residues pruned to eliminate duplicates Z: 11 4.045 1.601 0.261 0.345 0.800 0.300 CB 0.937 11 residues pruned to eliminate duplicates Z: 20 28.834 1.938 0.641 0.872 1.000 0.789 CB 1.516 20 residues pruned to eliminate duplicates Z: 26 26.906 1.895 0.610 0.844 0.960 0.720 CB 1.367 27 residues pruned to eliminate duplicates Z: 20 27.218 1.953 0.606 0.914 1.000 0.684 CB 1.408 20 residues pruned to eliminate duplicates Z: 21 23.657 1.929 0.687 0.808 0.900 0.500 CB 1.380 21 residues pruned to eliminate duplicates Z: 18 30.718 1.994 0.768 0.935 1.000 0.647 CB 1.473 18 residues pruned to eliminate duplicates Z: 26 25.625 1.865 0.607 0.858 0.920 0.640 CB 1.369 26 residues pruned to eliminate duplicates Z: 19 31.692 1.979 0.822 0.902 1.000 0.667 CB 1.478 19 residues pruned to eliminate duplicates Z: 15 18.353 1.898 0.766 0.714 0.857 0.643 CB 1.406 15 residues pruned to eliminate duplicates Z: 13 20.725 1.998 0.801 0.845 0.917 0.750 CB 1.349 13 residues pruned to eliminate duplicates Z: 27 26.067 1.851 0.693 0.870 0.923 0.731 CB 1.291 27 residues pruned to eliminate duplicates Z: 20 26.376 1.917 0.759 0.858 0.947 0.632 CB 1.395 20 residues pruned to eliminate duplicates Z: 26 28.386 1.888 0.691 0.870 0.960 0.840 CB 1.352 25 residues pruned to eliminate duplicates Z: 25 26.206 1.913 0.639 0.896 0.875 0.625 CB 1.398 25 residues pruned to eliminate duplicates Z: 16 14.140 1.813 0.726 0.671 0.800 0.600 CB 1.246 16 residues pruned to eliminate duplicates Z: 20 26.076 1.917 0.702 0.831 1.000 0.579 CB 1.377 20 residues pruned to eliminate duplicates Z: 13 17.881 1.935 0.749 0.822 0.833 0.750 CB 1.384 13 residues pruned to eliminate duplicates 374 residues left after pruning, divided into chains as follows: A: 30 B: 157 C: 187 CC for partial structure against native data = 43.98 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.433, Connect. = 0.697 for dens.mod. cycle 1 = 0.300, Contrast = 0.499, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.603, Connect. = 0.750 for dens.mod. cycle 3 = 0.300, Contrast = 0.617, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.631, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.638, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.645, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.649, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.652, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.654, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1283 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 384 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 29.872 1.994 0.863 0.895 1.000 0.688 CB 1.441 B: 16 27.100 2.046 0.721 0.899 1.000 0.800 CB 1.420 16 residues pruned to eliminate duplicates C: 17 26.022 2.026 0.559 0.917 1.000 0.812 CB 1.454 D: 24 38.760 2.102 0.898 0.914 1.000 0.870 CB 1.432 E: 25 42.506 2.110 1.061 0.925 0.958 0.833 CB 1.461 24 residues pruned to eliminate duplicates F: 24 34.120 2.085 0.699 0.903 1.000 0.870 CB 1.431 G: 25 37.188 2.071 0.661 0.929 1.000 0.875 CB 1.544 25 residues pruned to eliminate duplicates H: 23 27.129 2.037 0.515 0.884 1.000 0.909 CB 1.354 23 residues pruned to eliminate duplicates I: 16 27.665 2.127 0.710 0.918 0.933 0.733 CB 1.484 16 residues pruned to eliminate duplicates J: 25 39.839 2.103 0.735 0.914 1.000 0.750 CB 1.576 25 residues pruned to eliminate duplicates K: 24 31.902 2.108 0.476 0.942 1.000 0.957 CB 1.483 24 residues pruned to eliminate duplicates L: 25 33.063 2.078 0.763 0.903 0.917 0.750 CB 1.433 25 residues pruned to eliminate duplicates M: 18 20.760 1.918 0.369 0.934 1.000 1.000 CB 1.338 N: 28 30.924 1.951 0.615 0.908 0.963 0.926 CB 1.393 O: 24 23.715 2.036 0.347 0.881 1.000 0.913 CB 1.306 24 residues pruned to eliminate duplicates P: 23 27.681 2.061 0.530 0.887 1.000 0.909 CB 1.349 23 residues pruned to eliminate duplicates Q: 24 34.056 1.914 0.836 0.919 1.000 0.696 CB 1.424 R: 16 26.387 2.102 0.701 0.934 1.000 0.800 CB 1.328 16 residues pruned to eliminate duplicates S: 24 35.822 2.074 0.694 0.906 1.000 0.783 CB 1.512 24 residues pruned to eliminate duplicates T: 26 34.773 2.011 0.751 0.895 1.000 0.840 CB 1.416 27 residues pruned to eliminate duplicates U: 15 14.696 1.804 0.132 0.901 1.000 0.857 CA 1.373 15 residues pruned to eliminate duplicates V: 20 23.314 1.909 0.678 0.891 1.000 0.842 CB 1.201 W: 23 29.806 2.087 0.499 0.911 1.000 0.864 CB 1.440 23 residues pruned to eliminate duplicates X: 13 16.771 1.885 0.369 0.871 0.917 0.667 N 1.493 Y: 34 37.284 1.955 0.726 0.846 0.939 0.788 CB 1.521 13 residues pruned to eliminate duplicates Z: 27 34.652 2.026 0.842 0.929 1.000 0.808 CB 1.274 27 residues pruned to eliminate duplicates Z: 25 30.924 1.908 0.693 0.913 1.000 0.708 CB 1.383 Z: 25 28.949 1.963 0.524 0.903 1.000 0.792 CB 1.408 25 residues pruned to eliminate duplicates Z: 9 26.376 2.033 0.890 0.898 1.000 0.875 CA 1.735 9 residues pruned to eliminate duplicates Z: 30 26.221 1.821 0.376 0.881 1.000 0.793 CB 1.407 25 residues pruned to eliminate duplicates Z: 25 25.767 1.951 0.369 0.921 1.000 0.917 CA 1.385 18 residues pruned to eliminate duplicates Z: 25 39.512 2.087 1.044 0.900 0.917 0.792 CB 1.473 25 residues pruned to eliminate duplicates Z: 20 29.384 1.942 0.734 0.924 1.000 0.737 CB 1.405 19 residues pruned to eliminate duplicates Z: 15 24.341 2.047 0.574 0.867 1.000 0.714 CB 1.477 15 residues pruned to eliminate duplicates Z: 27 40.055 1.994 1.074 0.889 1.000 0.808 CB 1.367 26 residues pruned to eliminate duplicates Z: 25 38.641 2.069 0.849 0.914 1.000 0.875 CB 1.458 25 residues pruned to eliminate duplicates Z: 13 17.617 1.913 0.496 0.911 0.833 0.750 CA 1.512 13 residues pruned to eliminate duplicates Z: 26 30.875 2.025 0.529 0.898 1.000 0.880 CB 1.426 26 residues pruned to eliminate duplicates Z: 16 24.019 2.018 0.642 0.904 1.000 0.800 CB 1.333 16 residues pruned to eliminate duplicates Z: 25 29.705 2.044 0.466 0.926 1.000 0.875 CB 1.419 25 residues pruned to eliminate duplicates Z: 16 23.296 2.006 0.554 0.909 1.000 0.600 CB 1.369 16 residues pruned to eliminate duplicates Z: 28 27.552 1.914 0.725 0.839 0.926 0.704 CB 1.295 20 residues pruned to eliminate duplicates Z: 30 32.014 1.962 0.701 0.881 0.966 0.759 CB 1.336 27 residues pruned to eliminate duplicates Z: 24 27.664 2.035 0.417 0.884 1.000 0.870 CB 1.445 24 residues pruned to eliminate duplicates Z: 25 26.921 1.893 0.564 0.894 0.917 0.750 CB 1.453 25 residues pruned to eliminate duplicates Z: 23 22.851 2.012 0.329 0.881 1.000 0.864 CB 1.319 23 residues pruned to eliminate duplicates Z: 19 15.250 1.796 0.303 0.883 1.000 0.833 CB 1.111 19 residues pruned to eliminate duplicates Z: 30 33.052 1.925 0.748 0.890 1.000 0.655 CB 1.313 25 residues pruned to eliminate duplicates Z: 10 8.046 1.716 0.854 0.813 0.778 0.778 CB 0.825 Z: 26 33.981 2.054 0.605 0.897 1.000 0.960 CB 1.476 26 residues pruned to eliminate duplicates Z: 9 10.237 2.044 0.214 0.914 1.000 1.000 CB 1.032 Z: 19 23.382 1.894 1.217 0.924 0.944 0.722 CB 0.976 21 residues pruned to eliminate duplicates Z: 24 24.643 1.985 0.259 0.915 1.000 0.913 CB 1.454 24 residues pruned to eliminate duplicates Z: 26 36.122 2.044 0.912 0.883 0.960 0.840 CB 1.392 26 residues pruned to eliminate duplicates Z: 7 20.552 1.990 0.938 0.879 1.000 1.000 CB 1.577 7 residues pruned to eliminate duplicates Z: 20 20.501 1.953 0.280 0.860 1.000 0.947 CB 1.383 19 residues pruned to eliminate duplicates Z: 30 25.890 1.891 0.464 0.855 0.966 0.862 CB 1.327 30 residues pruned to eliminate duplicates Z: 30 26.124 1.788 0.414 0.856 0.966 0.862 CB 1.467 29 residues pruned to eliminate duplicates Z: 24 26.757 2.099 0.637 0.905 0.957 0.696 CB 1.208 24 residues pruned to eliminate duplicates Z: 27 33.746 2.005 0.864 0.919 0.962 0.885 CB 1.298 30 residues pruned to eliminate duplicates Z: 14 19.609 1.916 0.469 0.873 0.923 0.692 CA 1.525 14 residues pruned to eliminate duplicates Z: 24 41.723 2.113 1.093 0.930 1.000 0.696 CB 1.376 24 residues pruned to eliminate duplicates Z: 18 19.878 1.952 0.353 0.794 1.000 0.706 CB 1.411 18 residues pruned to eliminate duplicates Z: 26 30.722 1.909 0.637 0.893 1.000 0.760 CB 1.412 26 residues pruned to eliminate duplicates Z: 20 21.825 1.864 0.629 0.903 0.947 0.737 CB 1.240 20 residues pruned to eliminate duplicates Z: 24 29.160 2.052 0.467 0.933 1.000 0.913 CB 1.410 24 residues pruned to eliminate duplicates Z: 24 33.445 2.070 0.885 0.891 1.000 0.826 CB 1.285 24 residues pruned to eliminate duplicates Z: 12 9.945 1.681 0.328 0.751 0.909 0.727 CB 1.181 Z: 14 19.168 1.855 0.524 0.876 1.000 0.846 CA 1.367 13 residues pruned to eliminate duplicates Z: 20 25.905 1.936 0.838 0.897 0.947 0.789 CB 1.262 20 residues pruned to eliminate duplicates Z: 24 27.526 2.058 0.465 0.866 1.000 0.826 CB 1.393 24 residues pruned to eliminate duplicates Z: 9 13.121 1.850 0.485 0.859 0.875 0.625 CB 1.420 9 residues pruned to eliminate duplicates Z: 26 36.752 2.051 0.763 0.925 1.000 0.960 CB 1.427 26 residues pruned to eliminate duplicates Z: 27 33.710 2.023 0.662 0.904 1.000 0.885 CB 1.401 27 residues pruned to eliminate duplicates Z: 26 37.110 2.058 0.827 0.925 1.000 0.960 CB 1.385 26 residues pruned to eliminate duplicates Z: 24 32.339 2.059 0.756 0.906 1.000 0.913 CB 1.326 24 residues pruned to eliminate duplicates Z: 11 16.775 1.966 0.299 0.930 1.000 1.000 CA 1.452 11 residues pruned to eliminate duplicates Z: 15 14.226 1.780 0.551 0.753 0.929 0.500 CB 1.183 15 residues pruned to eliminate duplicates Z: 19 22.710 1.924 0.624 0.918 0.944 0.833 CB 1.279 19 residues pruned to eliminate duplicates Z: 26 34.713 2.056 0.763 0.918 1.000 0.800 CB 1.351 26 residues pruned to eliminate duplicates Z: 20 21.058 1.840 0.359 0.928 1.000 0.895 CB 1.352 19 residues pruned to eliminate duplicates Z: 28 30.598 1.970 0.590 0.891 0.963 0.889 CB 1.404 28 residues pruned to eliminate duplicates Z: 28 31.364 1.976 0.777 0.885 0.963 0.889 CB 1.289 28 residues pruned to eliminate duplicates Z: 28 17.472 1.748 0.635 0.868 0.926 0.556 CB 0.929 10 residues pruned to eliminate duplicates Z: 23 36.781 2.112 0.865 0.937 0.955 0.727 CB 1.452 23 residues pruned to eliminate duplicates Z: 28 20.929 1.857 0.531 0.850 0.852 0.704 CB 1.232 28 residues pruned to eliminate duplicates Z: 21 23.876 1.867 0.392 0.836 1.000 0.800 CB 1.539 21 residues pruned to eliminate duplicates Z: 14 15.956 1.859 0.404 0.848 0.846 0.615 CA 1.487 14 residues pruned to eliminate duplicates Z: 23 24.466 2.066 0.416 0.904 0.955 0.955 CB 1.331 23 residues pruned to eliminate duplicates Z: 20 14.070 1.812 0.141 0.877 0.947 0.947 CB 1.196 20 residues pruned to eliminate duplicates Z: 15 31.323 1.989 0.922 0.940 1.000 0.571 CB 1.521 15 residues pruned to eliminate duplicates Z: 21 24.503 1.841 0.456 0.915 1.000 0.950 CA 1.444 21 residues pruned to eliminate duplicates Z: 12 11.632 1.707 0.518 0.727 0.909 0.636 CB 1.213 12 residues pruned to eliminate duplicates Z: 24 26.242 1.838 0.535 0.887 1.000 0.826 CA 1.398 24 residues pruned to eliminate duplicates Z: 25 25.238 1.899 0.373 0.901 1.000 0.917 CB 1.411 25 residues pruned to eliminate duplicates Z: 26 25.584 1.863 0.690 0.867 0.920 0.760 CB 1.292 26 residues pruned to eliminate duplicates Z: 27 35.002 2.019 0.698 0.903 1.000 0.808 CB 1.427 27 residues pruned to eliminate duplicates Z: 24 44.749 2.134 1.107 0.929 1.000 0.783 CB 1.452 24 residues pruned to eliminate duplicates Z: 20 22.433 1.881 0.401 0.936 1.000 1.000 CB 1.361 20 residues pruned to eliminate duplicates Z: 14 11.511 1.685 0.284 0.921 1.000 1.000 CB 1.039 14 residues pruned to eliminate duplicates Z: 12 10.484 1.780 0.228 0.861 0.818 0.727 CB 1.298 10 residues pruned to eliminate duplicates Z: 16 25.794 2.007 0.842 0.892 0.933 0.667 CB 1.386 16 residues pruned to eliminate duplicates Z: 15 12.842 1.727 0.334 0.882 0.929 0.929 CB 1.161 15 residues pruned to eliminate duplicates Z: 30 33.594 1.916 0.860 0.888 0.966 0.586 CB 1.306 30 residues pruned to eliminate duplicates Z: 23 26.141 2.049 0.752 0.925 0.955 0.864 CB 1.141 23 residues pruned to eliminate duplicates Z: 12 20.770 1.915 0.700 0.868 1.000 0.818 CA 1.406 12 residues pruned to eliminate duplicates Z: 14 12.339 1.620 0.581 0.865 0.923 0.769 CB 1.061 14 residues pruned to eliminate duplicates Z: 17 27.457 2.038 0.681 0.928 1.000 0.750 CB 1.403 17 residues pruned to eliminate duplicates Z: 14 24.383 1.923 0.689 0.916 0.923 0.846 CA 1.593 14 residues pruned to eliminate duplicates Z: 27 28.782 1.810 0.647 0.887 0.962 0.654 CB 1.419 27 residues pruned to eliminate duplicates Z: 8 9.062 1.921 -0.042 0.914 1.000 1.000 CA 1.316 7 residues pruned to eliminate duplicates Z: 17 21.034 1.970 0.683 0.904 0.938 0.875 CB 1.205 17 residues pruned to eliminate duplicates Z: 18 26.208 1.938 0.887 0.929 1.000 0.941 CB 1.217 18 residues pruned to eliminate duplicates Z: 27 25.827 1.896 0.725 0.915 0.923 0.846 CB 1.185 27 residues pruned to eliminate duplicates Z: 19 22.040 1.904 0.531 0.895 0.889 0.889 CB 1.437 19 residues pruned to eliminate duplicates Z: 33 35.130 1.969 0.712 0.878 0.906 0.719 CB 1.476 33 residues pruned to eliminate duplicates Z: 8 12.356 1.915 0.537 0.855 1.000 1.000 CA 1.171 8 residues pruned to eliminate duplicates Z: 20 25.707 1.923 0.506 0.929 1.000 0.947 CB 1.425 20 residues pruned to eliminate duplicates Z: 24 33.182 2.103 0.832 0.877 1.000 0.696 CB 1.305 23 residues pruned to eliminate duplicates Z: 12 9.810 1.691 0.408 0.723 0.909 0.636 CB 1.118 12 residues pruned to eliminate duplicates Z: 15 13.570 1.796 0.630 0.869 1.000 0.500 CB 0.905 15 residues pruned to eliminate duplicates Z: 18 23.104 1.953 0.521 0.871 0.941 0.824 CB 1.462 18 residues pruned to eliminate duplicates Z: 12 12.044 1.766 0.451 0.877 0.818 0.818 CB 1.258 12 residues pruned to eliminate duplicates Z: 21 17.366 1.779 0.597 0.870 0.950 0.900 CB 1.051 21 residues pruned to eliminate duplicates Z: 28 31.536 1.980 0.562 0.900 1.000 0.926 CB 1.402 28 residues pruned to eliminate duplicates Z: 26 34.971 2.013 0.863 0.867 1.000 0.760 CB 1.364 26 residues pruned to eliminate duplicates Z: 20 32.304 1.979 0.861 0.923 1.000 0.737 CB 1.414 20 residues pruned to eliminate duplicates Z: 18 23.329 1.939 0.704 0.917 0.941 0.824 CB 1.285 18 residues pruned to eliminate duplicates Z: 27 28.565 1.984 0.444 0.901 1.000 0.846 CB 1.395 27 residues pruned to eliminate duplicates Z: 25 31.302 2.031 0.872 0.860 1.000 0.833 CB 1.236 25 residues pruned to eliminate duplicates Z: 25 31.850 2.014 0.574 0.916 1.000 0.917 CB 1.448 25 residues pruned to eliminate duplicates Z: 17 26.106 2.012 0.784 0.901 1.000 0.688 CB 1.298 17 residues pruned to eliminate duplicates Z: 16 28.162 2.021 0.812 0.941 1.000 0.867 CB 1.378 16 residues pruned to eliminate duplicates Z: 9 10.080 1.930 0.076 0.889 1.000 0.875 CA 1.235 10 residues pruned to eliminate duplicates Z: 15 28.777 2.052 0.808 0.889 1.000 0.786 CB 1.493 17 residues pruned to eliminate duplicates Z: 15 10.996 1.747 0.387 0.889 1.000 0.857 CB 0.873 14 residues pruned to eliminate duplicates Z: 27 31.015 1.789 0.832 0.936 1.000 0.615 CB 1.292 27 residues pruned to eliminate duplicates Z: 23 21.993 1.856 0.800 0.890 1.000 0.591 CB 1.010 23 residues pruned to eliminate duplicates Z: 28 29.475 1.939 0.607 0.891 1.000 0.926 CB 1.309 27 residues pruned to eliminate duplicates Z: 14 14.864 1.780 0.349 0.893 1.000 0.923 CB 1.232 Z: 26 25.465 1.846 0.623 0.874 0.920 0.840 CB 1.345 26 residues pruned to eliminate duplicates Z: 10 11.428 1.830 0.696 0.810 0.778 0.444 CB 1.205 10 residues pruned to eliminate duplicates Z: 26 26.737 1.829 0.544 0.884 1.000 0.880 CB 1.368 26 residues pruned to eliminate duplicates Z: 31 29.234 1.784 0.627 0.833 0.967 0.733 CB 1.426 31 residues pruned to eliminate duplicates Z: 15 14.612 1.744 0.344 0.874 1.000 0.786 CB 1.213 14 residues pruned to eliminate duplicates Z: 20 19.562 1.847 0.212 0.909 1.000 0.947 CA 1.422 20 residues pruned to eliminate duplicates Z: 27 27.670 2.014 0.486 0.898 1.000 0.846 CB 1.297 27 residues pruned to eliminate duplicates Z: 20 19.759 1.931 0.215 0.925 1.000 1.000 CB 1.355 20 residues pruned to eliminate duplicates Z: 15 29.826 2.053 1.089 0.938 1.000 0.571 CB 1.292 15 residues pruned to eliminate duplicates Z: 15 14.622 1.586 0.712 0.894 1.000 0.857 CB 1.032 13 residues pruned to eliminate duplicates Z: 24 39.441 2.127 1.130 0.928 0.957 0.913 CB 1.328 24 residues pruned to eliminate duplicates Z: 9 19.507 2.078 0.289 0.900 1.000 1.000 CB 1.840 9 residues pruned to eliminate duplicates Z: 18 24.430 1.937 0.822 0.914 1.000 1.000 CB 1.187 18 residues pruned to eliminate duplicates Z: 27 16.506 1.721 0.648 0.869 0.923 0.654 CB 0.903 27 residues pruned to eliminate duplicates Z: 30 35.766 1.918 0.981 0.881 1.000 0.690 CB 1.266 29 residues pruned to eliminate duplicates Z: 25 14.896 1.867 0.583 0.582 0.833 0.375 CB 1.141 23 residues pruned to eliminate duplicates Z: 26 34.937 2.034 0.734 0.917 1.000 0.960 CB 1.397 26 residues pruned to eliminate duplicates Z: 19 22.780 1.949 0.586 0.899 0.944 0.722 CB 1.315 19 residues pruned to eliminate duplicates Z: 25 36.380 2.074 0.784 0.930 0.958 0.792 CB 1.464 25 residues pruned to eliminate duplicates Z: 11 12.264 1.570 0.641 0.861 1.000 0.800 CA 1.106 12 residues pruned to eliminate duplicates Z: 27 35.466 1.968 0.916 0.943 1.000 0.769 CB 1.278 27 residues pruned to eliminate duplicates Z: 26 36.412 2.053 0.796 0.908 1.000 0.920 CB 1.403 26 residues pruned to eliminate duplicates Z: 10 9.325 1.601 0.187 0.800 0.889 0.667 O 1.416 10 residues pruned to eliminate duplicates Z: 8 13.134 2.083 0.556 0.917 1.000 1.000 CB 1.081 8 residues pruned to eliminate duplicates Z: 17 24.009 1.933 0.813 0.877 1.000 0.750 CB 1.243 17 residues pruned to eliminate duplicates Z: 26 39.063 2.045 1.144 0.903 0.960 0.640 CB 1.323 26 residues pruned to eliminate duplicates Z: 14 22.607 2.047 0.677 0.906 0.846 0.769 CB 1.535 14 residues pruned to eliminate duplicates Z: 16 10.112 1.677 0.339 0.861 0.933 0.933 CB 0.915 16 residues pruned to eliminate duplicates Z: 19 21.988 1.793 0.932 0.880 1.000 0.500 CB 1.084 19 residues pruned to eliminate duplicates Z: 25 39.139 2.076 0.985 0.951 0.958 0.875 CB 1.395 25 residues pruned to eliminate duplicates Z: 28 27.380 1.827 0.638 0.879 0.963 0.593 CB 1.327 28 residues pruned to eliminate duplicates Z: 16 28.166 2.099 0.908 0.924 1.000 0.800 CB 1.275 17 residues pruned to eliminate duplicates Z: 12 20.473 1.944 0.518 0.876 0.909 0.545 N 1.673 12 residues pruned to eliminate duplicates Z: 23 24.405 1.866 0.939 0.850 0.955 0.636 CB 1.116 23 residues pruned to eliminate duplicates Z: 29 32.119 1.848 0.648 0.872 1.000 0.571 CB 1.453 29 residues pruned to eliminate duplicates Z: 20 34.110 1.923 1.091 0.938 1.000 0.579 CB 1.353 20 residues pruned to eliminate duplicates Z: 7 11.494 2.172 -0.031 0.897 1.000 1.000 CA 1.597 7 residues pruned to eliminate duplicates Z: 14 17.848 1.799 0.690 0.832 1.000 0.692 CB 1.223 14 residues pruned to eliminate duplicates Z: 26 28.853 2.024 0.619 0.898 0.960 0.960 CB 1.312 26 residues pruned to eliminate duplicates Z: 29 29.560 1.808 0.698 0.852 1.000 0.571 CB 1.346 29 residues pruned to eliminate duplicates Z: 6 8.986 1.747 0.237 0.840 1.000 0.800 N 1.388 Z: 12 14.622 1.938 0.798 0.855 0.909 0.727 CB 1.028 12 residues pruned to eliminate duplicates Z: 10 12.802 1.745 0.586 0.869 0.889 0.778 CB 1.268 Z: 7 9.113 1.759 0.311 0.883 1.000 0.833 CB 1.166 7 residues pruned to eliminate duplicates Z: 10 18.610 1.784 0.961 0.862 1.000 1.000 CB 1.303 10 residues pruned to eliminate duplicates Z: 29 24.555 1.899 0.704 0.881 0.929 0.643 CB 1.118 29 residues pruned to eliminate duplicates Z: 8 10.447 2.040 0.203 0.898 1.000 1.000 CB 1.151 8 residues pruned to eliminate duplicates Z: 31 17.161 1.792 0.569 0.538 0.900 0.500 CB 1.193 31 residues pruned to eliminate duplicates Z: 21 18.688 1.818 0.818 0.747 0.900 0.550 CB 1.126 21 residues pruned to eliminate duplicates Z: 16 25.906 1.902 0.821 0.854 0.933 0.667 CB 1.529 16 residues pruned to eliminate duplicates Z: 21 21.962 1.840 0.439 0.833 0.950 0.900 CB 1.464 21 residues pruned to eliminate duplicates Z: 34 19.430 1.893 0.384 0.650 0.879 0.697 CB 1.278 33 residues pruned to eliminate duplicates Z: 12 14.768 1.798 0.589 0.880 1.000 0.727 CB 1.129 12 residues pruned to eliminate duplicates Z: 19 24.771 1.968 0.591 0.919 1.000 0.833 CB 1.314 19 residues pruned to eliminate duplicates Z: 7 14.213 1.967 0.561 0.842 1.000 0.667 CB 1.408 7 residues pruned to eliminate duplicates Z: 8 12.623 2.143 0.268 0.914 1.000 1.000 CB 1.242 8 residues pruned to eliminate duplicates Z: 10 13.169 1.729 0.744 0.819 0.889 0.889 CB 1.241 10 residues pruned to eliminate duplicates Z: 12 11.815 1.804 0.483 0.855 0.818 0.545 CB 1.202 12 residues pruned to eliminate duplicates Z: 21 20.683 1.845 0.222 0.924 1.000 0.950 CB 1.441 21 residues pruned to eliminate duplicates Z: 62 35.535 1.980 0.552 0.767 0.918 0.721 CB 1.272 61 residues pruned to eliminate duplicates Z: 10 11.783 1.891 0.128 0.903 1.000 1.000 CB 1.313 10 residues pruned to eliminate duplicates Z: 25 23.408 2.026 0.292 0.900 1.000 0.917 CB 1.305 25 residues pruned to eliminate duplicates Z: 27 33.010 1.851 0.673 0.898 1.000 0.615 CB 1.495 27 residues pruned to eliminate duplicates Z: 19 27.967 1.944 0.622 0.905 1.000 0.944 CB 1.487 19 residues pruned to eliminate duplicates Z: 15 15.314 1.707 0.406 0.840 1.000 0.786 CB 1.272 15 residues pruned to eliminate duplicates Z: 18 21.788 1.970 0.777 0.918 0.941 0.647 CB 1.131 18 residues pruned to eliminate duplicates Z: 18 20.255 1.933 0.781 0.887 0.941 0.647 CB 1.093 18 residues pruned to eliminate duplicates Z: 25 37.395 2.022 1.182 0.909 0.958 0.792 CB 1.281 25 residues pruned to eliminate duplicates Z: 29 26.881 1.931 0.536 0.748 0.964 0.571 CB 1.422 27 residues pruned to eliminate duplicates Z: 12 22.225 1.995 0.625 0.867 0.909 0.909 CA 1.663 12 residues pruned to eliminate duplicates Z: 25 26.553 1.885 0.565 0.905 0.958 0.792 CB 1.364 25 residues pruned to eliminate duplicates Z: 8 8.560 1.752 0.290 0.824 1.000 0.857 CB 1.081 8 residues pruned to eliminate duplicates Z: 10 4.582 1.773 0.035 0.331 0.889 0.778 CB 1.127 4 residues pruned to eliminate duplicates Z: 36 20.515 1.784 0.676 0.653 0.886 0.629 CB 1.135 35 residues pruned to eliminate duplicates Z: 10 4.775 1.654 0.374 0.512 0.667 0.333 CB 1.037 10 residues pruned to eliminate duplicates Z: 16 18.359 1.935 0.300 0.928 1.000 1.000 CB 1.319 16 residues pruned to eliminate duplicates Z: 24 28.791 1.880 0.773 0.902 0.957 0.826 CB 1.343 24 residues pruned to eliminate duplicates Z: 26 27.047 1.832 0.532 0.877 1.000 0.760 CB 1.400 26 residues pruned to eliminate duplicates Z: 29 29.593 1.807 0.732 0.863 0.964 0.643 CB 1.359 29 residues pruned to eliminate duplicates Z: 21 22.008 1.954 0.403 0.860 0.950 0.900 CB 1.389 21 residues pruned to eliminate duplicates Z: 31 30.052 1.855 0.878 0.905 1.000 0.567 CB 1.121 31 residues pruned to eliminate duplicates Z: 28 32.807 1.841 0.922 0.903 0.926 0.481 CB 1.374 28 residues pruned to eliminate duplicates Z: 15 10.878 1.671 0.643 0.847 1.000 0.714 CB 0.786 15 residues pruned to eliminate duplicates Z: 25 26.184 2.047 0.329 0.934 1.000 0.958 CB 1.370 25 residues pruned to eliminate duplicates Z: 16 27.242 2.095 0.676 0.914 1.000 0.800 CB 1.417 16 residues pruned to eliminate duplicates Z: 25 32.893 1.869 0.814 0.897 0.917 0.750 CB 1.546 25 residues pruned to eliminate duplicates Z: 19 25.218 1.914 0.571 0.939 1.000 0.944 CB 1.373 19 residues pruned to eliminate duplicates Z: 6 3.456 1.520 0.246 0.314 1.000 0.600 CB 1.002 Z: 25 44.767 2.121 1.024 0.946 1.000 0.833 CB 1.473 26 residues pruned to eliminate duplicates Z: 6 9.376 1.818 0.252 0.846 1.000 1.000 CA 1.368 6 residues pruned to eliminate duplicates Z: 30 27.399 1.891 0.601 0.884 0.966 0.793 CB 1.258 30 residues pruned to eliminate duplicates Z: 14 14.281 1.751 0.342 0.878 1.000 0.923 CB 1.223 14 residues pruned to eliminate duplicates Z: 6 9.353 1.838 0.232 0.828 1.000 0.800 N 1.391 6 residues pruned to eliminate duplicates Z: 18 19.685 1.920 0.340 0.903 0.941 0.824 CB 1.406 18 residues pruned to eliminate duplicates Z: 28 26.293 1.815 0.326 0.922 1.000 0.926 CA 1.478 28 residues pruned to eliminate duplicates Z: 27 26.285 1.796 0.597 0.884 0.962 0.885 CA 1.351 27 residues pruned to eliminate duplicates Z: 30 31.219 1.931 0.849 0.907 1.000 0.621 CB 1.154 30 residues pruned to eliminate duplicates Z: 30 25.568 1.906 0.715 0.857 0.931 0.759 CB 1.150 30 residues pruned to eliminate duplicates Z: 29 17.292 1.647 0.609 0.853 0.929 0.607 CB 0.982 29 residues pruned to eliminate duplicates Z: 14 10.670 1.712 0.495 0.863 0.923 0.769 CB 0.920 14 residues pruned to eliminate duplicates Z: 12 10.485 1.675 0.478 0.757 1.000 0.727 CB 1.016 12 residues pruned to eliminate duplicates Z: 27 33.137 1.970 0.714 0.916 1.000 0.923 CB 1.360 27 residues pruned to eliminate duplicates Z: 13 13.018 1.733 0.375 0.871 1.000 0.667 CB 1.150 13 residues pruned to eliminate duplicates Z: 16 23.077 1.884 0.731 0.890 0.933 0.933 CA 1.408 15 residues pruned to eliminate duplicates Z: 15 15.605 1.784 0.632 0.893 1.000 0.714 CB 1.028 15 residues pruned to eliminate duplicates Z: 23 21.589 1.818 0.910 0.852 0.909 0.500 CB 1.078 23 residues pruned to eliminate duplicates Z: 27 12.559 1.763 0.220 0.813 0.962 0.692 CB 0.907 27 residues pruned to eliminate duplicates Z: 12 14.010 1.758 0.427 0.925 1.000 0.909 CB 1.182 12 residues pruned to eliminate duplicates Z: 16 8.700 1.954 0.365 0.635 0.867 0.800 CB 0.857 16 residues pruned to eliminate duplicates Z: 27 28.006 1.905 0.796 0.833 1.000 0.654 CB 1.205 27 residues pruned to eliminate duplicates Z: 24 21.895 1.890 0.638 0.871 1.000 0.739 CB 1.075 24 residues pruned to eliminate duplicates Z: 14 10.678 1.784 0.543 0.885 1.000 0.538 CB 0.777 14 residues pruned to eliminate duplicates Z: 30 30.953 1.806 0.664 0.861 1.000 0.690 CB 1.405 30 residues pruned to eliminate duplicates Z: 24 35.259 2.063 0.909 0.887 1.000 0.739 CB 1.346 24 residues pruned to eliminate duplicates Z: 8 4.170 1.422 0.002 0.581 1.000 0.714 CB 1.023 Z: 16 20.923 2.071 0.564 0.910 1.000 0.800 CB 1.183 16 residues pruned to eliminate duplicates Z: 21 19.344 1.865 0.877 0.833 0.850 0.550 CB 1.090 21 residues pruned to eliminate duplicates Z: 14 18.191 2.033 0.823 0.894 0.923 0.692 CB 1.058 14 residues pruned to eliminate duplicates Z: 24 31.254 2.019 0.944 0.923 1.000 0.652 CB 1.167 24 residues pruned to eliminate duplicates Z: 20 20.437 1.938 0.494 0.820 0.895 0.842 CB 1.371 20 residues pruned to eliminate duplicates Z: 26 25.910 1.785 0.692 0.914 0.920 0.520 CB 1.319 26 residues pruned to eliminate duplicates Z: 13 11.958 1.621 0.276 0.895 0.917 0.917 CB 1.306 13 residues pruned to eliminate duplicates Z: 26 16.619 1.595 0.466 0.881 1.000 0.640 CB 1.029 14 residues pruned to eliminate duplicates Z: 26 30.442 1.963 0.712 0.864 0.960 0.840 CB 1.383 26 residues pruned to eliminate duplicates Z: 18 25.119 1.940 0.640 0.873 1.000 0.941 CB 1.395 18 residues pruned to eliminate duplicates Z: 13 13.064 1.781 0.659 0.894 1.000 0.417 CB 0.915 13 residues pruned to eliminate duplicates Z: 7 11.268 1.784 0.485 0.837 1.000 0.833 CA 1.299 6 residues pruned to eliminate duplicates Z: 6 6.438 1.598 1.097 0.853 1.000 0.800 CB 0.635 Z: 18 20.062 1.857 0.766 0.683 0.941 0.706 CB 1.333 26 residues pruned to eliminate duplicates Z: 7 11.222 1.714 0.550 0.818 1.000 0.833 CA 1.309 7 residues pruned to eliminate duplicates Z: 26 26.598 1.881 0.563 0.887 0.960 0.840 CB 1.358 26 residues pruned to eliminate duplicates Z: 26 23.066 1.879 0.322 0.905 1.000 0.920 CB 1.322 26 residues pruned to eliminate duplicates Z: 6 7.646 1.686 0.434 0.753 1.000 0.600 CB 1.129 6 residues pruned to eliminate duplicates Z: 25 30.313 1.991 0.885 0.841 0.958 0.625 CB 1.283 25 residues pruned to eliminate duplicates Z: 15 16.758 1.924 0.526 0.753 0.929 0.857 CB 1.311 15 residues pruned to eliminate duplicates Z: 16 13.609 1.740 0.416 0.815 0.933 0.600 CB 1.162 14 residues pruned to eliminate duplicates Z: 14 12.335 1.688 0.203 0.841 1.000 0.769 CB 1.256 14 residues pruned to eliminate duplicates Z: 21 17.632 2.002 0.592 0.650 0.950 0.700 CB 1.132 21 residues pruned to eliminate duplicates Z: 20 16.776 1.843 0.645 0.856 0.947 0.684 CB 0.988 20 residues pruned to eliminate duplicates Z: 61 28.534 1.893 0.400 0.680 0.900 0.667 CB 1.308 60 residues pruned to eliminate duplicates Z: 11 12.044 1.542 0.703 0.774 1.000 0.800 CB 1.139 9 residues pruned to eliminate duplicates Z: 22 45.045 2.129 1.161 0.903 0.952 0.810 CB 1.599 22 residues pruned to eliminate duplicates Z: 26 27.611 1.780 0.614 0.911 1.000 0.760 CB 1.362 26 residues pruned to eliminate duplicates Z: 16 24.697 2.061 0.620 0.925 1.000 0.733 CB 1.340 16 residues pruned to eliminate duplicates Z: 25 26.988 1.888 0.504 0.882 1.000 0.833 CB 1.403 25 residues pruned to eliminate duplicates Z: 15 18.247 1.845 0.763 0.631 0.929 0.643 CB 1.429 11 residues pruned to eliminate duplicates Z: 16 25.430 1.944 0.595 0.917 1.000 0.667 CA 1.494 21 residues pruned to eliminate duplicates Z: 33 15.353 1.813 0.533 0.566 0.812 0.594 CB 1.128 31 residues pruned to eliminate duplicates Z: 12 17.311 2.016 0.279 0.914 1.000 1.000 CB 1.433 12 residues pruned to eliminate duplicates Z: 24 28.000 1.829 0.803 0.905 0.913 0.652 CB 1.380 24 residues pruned to eliminate duplicates Z: 10 12.829 1.962 0.481 0.828 1.000 0.778 CB 1.108 10 residues pruned to eliminate duplicates Z: 26 30.630 1.888 0.649 0.886 1.000 0.840 CB 1.419 26 residues pruned to eliminate duplicates Z: 18 16.958 1.894 0.208 0.753 0.941 0.882 CA 1.524 18 residues pruned to eliminate duplicates Z: 6 8.657 1.793 0.545 0.746 0.800 0.600 CA 1.403 6 residues pruned to eliminate duplicates Z: 30 27.923 1.869 0.681 0.897 0.966 0.690 CB 1.224 30 residues pruned to eliminate duplicates Z: 26 23.610 1.825 0.421 0.884 1.000 0.880 CB 1.316 26 residues pruned to eliminate duplicates Z: 42 30.444 1.958 0.479 0.781 0.927 0.756 CB 1.383 40 residues pruned to eliminate duplicates Z: 13 11.992 1.740 0.280 0.887 0.917 0.750 CB 1.223 13 residues pruned to eliminate duplicates Z: 32 23.045 1.878 0.679 0.584 0.935 0.452 CB 1.295 32 residues pruned to eliminate duplicates Z: 15 11.258 1.840 0.583 0.605 0.857 0.571 CB 1.091 15 residues pruned to eliminate duplicates Z: 16 17.568 1.945 0.190 0.861 1.000 0.933 CB 1.440 16 residues pruned to eliminate duplicates Z: 10 5.654 1.322 0.769 0.617 0.889 0.889 CB 0.812 Z: 27 33.714 1.950 0.966 0.898 1.000 0.885 CB 1.233 27 residues pruned to eliminate duplicates Z: 9 4.876 1.730 0.310 0.405 0.875 0.625 CB 0.961 10 residues pruned to eliminate duplicates Z: 20 22.391 1.911 0.502 0.878 0.947 0.842 CB 1.370 20 residues pruned to eliminate duplicates Z: 9 10.034 1.837 0.042 0.899 1.000 1.000 CA 1.325 9 residues pruned to eliminate duplicates Z: 14 10.672 1.719 0.228 0.841 0.923 0.769 CB 1.133 14 residues pruned to eliminate duplicates Z: 15 27.979 2.045 0.897 0.919 1.000 0.857 CB 1.358 15 residues pruned to eliminate duplicates Z: 15 11.170 1.760 0.620 0.881 0.929 0.714 CB 0.817 15 residues pruned to eliminate duplicates Z: 6 5.041 1.307 0.689 0.708 0.800 0.400 N 1.057 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 29 15.073 1.837 0.342 0.576 0.857 0.607 CB 1.253 29 residues pruned to eliminate duplicates Z: 18 19.044 1.934 0.297 0.811 0.941 0.882 CB 1.492 18 residues pruned to eliminate duplicates Z: 17 23.976 2.024 0.522 0.861 1.000 0.938 CB 1.430 18 residues pruned to eliminate duplicates Z: 16 22.443 1.985 0.390 0.888 1.000 0.800 CB 1.513 17 residues pruned to eliminate duplicates Z: 16 21.543 2.025 0.386 0.913 1.000 0.933 CB 1.403 16 residues pruned to eliminate duplicates Z: 17 19.807 1.895 0.666 0.758 0.875 0.750 CB 1.425 17 residues pruned to eliminate duplicates Z: 16 23.800 1.932 0.604 0.805 1.000 0.933 CB 1.520 16 residues pruned to eliminate duplicates Z: 17 20.370 1.874 0.599 0.719 0.938 0.562 CB 1.486 17 residues pruned to eliminate duplicates Z: 17 27.723 2.039 0.740 0.868 1.000 0.625 CB 1.428 17 residues pruned to eliminate duplicates Z: 22 14.715 1.893 0.525 0.476 0.857 0.619 CB 1.330 22 residues pruned to eliminate duplicates Z: 16 28.188 2.027 0.733 0.928 1.000 0.933 CB 1.451 16 residues pruned to eliminate duplicates Z: 33 19.307 1.790 0.621 0.664 0.844 0.406 CB 1.198 33 residues pruned to eliminate duplicates Z: 28 16.363 1.778 0.604 0.518 0.815 0.481 CB 1.332 28 residues pruned to eliminate duplicates Z: 25 17.056 1.832 0.503 0.574 0.875 0.458 CB 1.345 23 residues pruned to eliminate duplicates Z: 20 15.800 1.914 0.481 0.702 0.789 0.474 CB 1.348 20 residues pruned to eliminate duplicates Z: 30 28.920 1.920 0.690 0.657 0.931 0.759 CB 1.536 34 residues pruned to eliminate duplicates Z: 17 14.237 1.714 0.465 0.670 1.000 0.625 CB 1.212 14 residues pruned to eliminate duplicates Z: 14 11.863 1.611 0.399 0.687 1.000 0.923 CB 1.229 14 residues pruned to eliminate duplicates Z: 11 11.621 1.649 0.528 0.899 0.900 0.800 CA 1.158 11 residues pruned to eliminate duplicates Z: 15 13.902 1.807 0.582 0.647 0.857 0.714 CB 1.321 15 residues pruned to eliminate duplicates Z: 14 13.759 1.925 0.509 0.668 0.846 0.769 CB 1.329 14 residues pruned to eliminate duplicates Z: 15 12.697 1.789 0.627 0.654 0.857 0.714 CB 1.179 15 residues pruned to eliminate duplicates Z: 14 15.689 1.911 0.684 0.604 0.923 0.769 CB 1.327 14 residues pruned to eliminate duplicates Z: 32 22.769 1.853 0.673 0.661 0.935 0.613 CB 1.214 32 residues pruned to eliminate duplicates Z: 31 17.523 1.799 0.590 0.601 0.900 0.533 CB 1.128 31 residues pruned to eliminate duplicates Z: 18 10.522 1.825 0.383 0.471 0.765 0.706 CB 1.362 16 residues pruned to eliminate duplicates Z: 7 11.525 1.814 0.309 0.826 1.000 0.833 CB 1.494 7 residues pruned to eliminate duplicates Z: 6 8.574 1.812 0.219 0.810 1.000 0.800 CA 1.325 6 residues pruned to eliminate duplicates Z: 7 10.594 1.795 0.493 0.792 1.000 0.667 CB 1.249 7 residues pruned to eliminate duplicates Z: 39 19.886 1.813 0.414 0.678 0.895 0.763 CB 1.194 39 residues pruned to eliminate duplicates Z: 21 18.049 1.862 0.427 0.688 0.950 0.850 CB 1.347 21 residues pruned to eliminate duplicates Z: 15 12.852 1.935 0.288 0.552 0.929 0.714 CA 1.412 15 residues pruned to eliminate duplicates Z: 28 24.332 1.911 0.496 0.710 0.963 0.778 CB 1.406 28 residues pruned to eliminate duplicates Z: 23 25.569 1.804 0.545 0.902 1.000 0.909 CA 1.395 23 residues pruned to eliminate duplicates Z: 31 20.387 1.795 0.554 0.623 0.933 0.633 CB 1.273 31 residues pruned to eliminate duplicates Z: 29 15.223 1.778 0.414 0.490 0.893 0.607 CA 1.295 29 residues pruned to eliminate duplicates Z: 22 15.064 1.863 0.576 0.449 0.857 0.619 CA 1.377 22 residues pruned to eliminate duplicates Z: 24 24.427 1.907 0.582 0.766 1.000 0.696 CB 1.333 24 residues pruned to eliminate duplicates Z: 25 24.127 1.906 0.592 0.725 0.958 0.583 CB 1.382 25 residues pruned to eliminate duplicates Z: 28 26.576 1.907 0.510 0.932 1.000 0.741 CB 1.240 28 residues pruned to eliminate duplicates Z: 26 20.557 1.860 0.690 0.690 0.880 0.520 CB 1.248 26 residues pruned to eliminate duplicates Z: 29 22.801 1.808 0.794 0.672 0.929 0.571 CB 1.220 29 residues pruned to eliminate duplicates Z: 11 16.294 1.887 0.854 0.693 0.900 0.500 CB 1.371 11 residues pruned to eliminate duplicates Z: 30 18.033 1.732 0.641 0.496 0.897 0.483 CB 1.320 30 residues pruned to eliminate duplicates Z: 27 20.924 1.872 0.590 0.702 0.923 0.769 CB 1.243 27 residues pruned to eliminate duplicates Z: 26 20.830 1.904 0.450 0.685 0.920 0.640 CB 1.384 26 residues pruned to eliminate duplicates Z: 21 22.611 1.910 0.644 0.864 0.950 0.750 CB 1.243 21 residues pruned to eliminate duplicates Z: 28 18.190 1.863 0.603 0.589 0.889 0.556 CB 1.211 28 residues pruned to eliminate duplicates Z: 28 17.584 1.841 0.582 0.685 0.889 0.481 CB 1.103 28 residues pruned to eliminate duplicates Z: 39 29.667 1.922 0.697 0.799 0.895 0.763 CB 1.270 39 residues pruned to eliminate duplicates Z: 34 23.899 1.846 0.829 0.669 0.879 0.515 CB 1.199 34 residues pruned to eliminate duplicates Z: 20 24.867 1.943 0.896 0.880 0.947 0.632 CB 1.185 20 residues pruned to eliminate duplicates Z: 45 30.779 1.923 0.656 0.715 0.886 0.636 CB 1.353 45 residues pruned to eliminate duplicates Z: 24 23.765 1.891 0.773 0.771 0.913 0.652 CB 1.273 24 residues pruned to eliminate duplicates Z: 42 31.268 1.908 0.773 0.767 0.927 0.610 CB 1.229 42 residues pruned to eliminate duplicates Z: 78 40.370 1.879 0.602 0.743 0.961 0.727 CB 1.280 78 residues pruned to eliminate duplicates Z: 41 29.688 1.905 0.894 0.738 0.875 0.575 CB 1.201 41 residues pruned to eliminate duplicates Z: 57 29.877 1.894 0.556 0.702 0.857 0.643 CB 1.314 57 residues pruned to eliminate duplicates Z: 50 31.990 1.911 0.658 0.733 0.857 0.633 CB 1.365 50 residues pruned to eliminate duplicates Z: 40 31.385 1.929 0.731 0.807 0.872 0.564 CB 1.321 40 residues pruned to eliminate duplicates Z: 39 33.296 1.934 0.636 0.826 1.000 0.711 CB 1.288 39 residues pruned to eliminate duplicates Z: 41 20.835 1.793 0.512 0.674 0.850 0.650 CB 1.218 41 residues pruned to eliminate duplicates Z: 40 33.529 1.932 0.784 0.801 0.897 0.538 CB 1.335 40 residues pruned to eliminate duplicates Z: 37 26.663 1.903 0.571 0.739 0.889 0.556 CB 1.350 37 residues pruned to eliminate duplicates Z: 54 38.641 1.927 0.627 0.807 0.981 0.755 CB 1.320 54 residues pruned to eliminate duplicates Z: 46 24.786 1.864 0.471 0.702 0.867 0.533 CB 1.294 46 residues pruned to eliminate duplicates Z: 42 29.368 1.929 0.629 0.754 0.902 0.634 CB 1.290 42 residues pruned to eliminate duplicates Z: 39 33.143 1.954 0.747 0.817 0.947 0.632 CB 1.262 39 residues pruned to eliminate duplicates Z: 60 39.329 1.915 0.746 0.777 0.949 0.593 CB 1.263 60 residues pruned to eliminate duplicates Z: 40 30.096 1.866 0.806 0.811 0.923 0.641 CB 1.181 40 residues pruned to eliminate duplicates Z: 58 35.730 1.915 0.700 0.768 0.930 0.544 CB 1.233 58 residues pruned to eliminate duplicates Z: 43 29.846 1.940 0.702 0.802 0.905 0.500 CB 1.184 43 residues pruned to eliminate duplicates Z: 56 26.731 1.837 0.672 0.672 0.891 0.491 CB 1.124 56 residues pruned to eliminate duplicates Z: 7 11.973 1.968 0.744 0.749 1.000 0.833 CB 1.140 7 residues pruned to eliminate duplicates Z: 21 16.379 1.858 0.546 0.570 0.900 0.500 CB 1.324 21 residues pruned to eliminate duplicates Z: 39 28.975 1.916 0.737 0.825 0.868 0.421 CB 1.227 39 residues pruned to eliminate duplicates Z: 31 28.582 1.858 0.776 0.710 0.933 0.600 CB 1.400 30 residues pruned to eliminate duplicates Z: 32 35.914 1.937 0.845 0.865 0.935 0.677 CB 1.414 32 residues pruned to eliminate duplicates Z: 27 23.656 1.859 0.580 0.725 0.885 0.577 CB 1.457 27 residues pruned to eliminate duplicates Z: 36 22.399 1.840 0.652 0.626 0.829 0.543 CB 1.335 36 residues pruned to eliminate duplicates Z: 14 21.115 1.973 0.863 0.765 1.000 0.769 CB 1.259 14 residues pruned to eliminate duplicates Z: 49 29.392 1.865 0.594 0.700 0.917 0.625 CB 1.297 53 residues pruned to eliminate duplicates Z: 33 37.716 1.944 0.874 0.859 0.969 0.594 CB 1.391 33 residues pruned to eliminate duplicates Z: 40 23.298 1.830 0.535 0.705 0.821 0.615 CB 1.343 40 residues pruned to eliminate duplicates Z: 51 40.918 1.959 0.782 0.816 0.980 0.600 CB 1.285 51 residues pruned to eliminate duplicates Z: 72 34.215 1.821 0.660 0.678 0.930 0.493 CB 1.227 72 residues pruned to eliminate duplicates Z: 35 22.191 1.858 0.604 0.628 0.853 0.618 CB 1.327 35 residues pruned to eliminate duplicates Z: 24 27.397 1.963 0.701 0.768 0.913 0.565 CB 1.478 24 residues pruned to eliminate duplicates Z: 38 28.915 1.847 0.679 0.755 0.919 0.649 CB 1.329 38 residues pruned to eliminate duplicates Z: 29 20.572 1.796 0.586 0.593 0.857 0.500 CB 1.456 29 residues pruned to eliminate duplicates Z: 45 26.886 1.829 0.547 0.642 0.909 0.545 CB 1.380 45 residues pruned to eliminate duplicates Z: 37 28.186 1.916 0.682 0.746 0.917 0.583 CB 1.276 37 residues pruned to eliminate duplicates Z: 38 26.761 1.884 0.585 0.717 0.919 0.595 CB 1.317 38 residues pruned to eliminate duplicates Z: 39 27.769 1.873 0.543 0.712 0.921 0.737 CB 1.396 39 residues pruned to eliminate duplicates Z: 42 30.054 1.892 0.617 0.682 0.951 0.561 CB 1.364 42 residues pruned to eliminate duplicates Z: 68 38.893 1.888 0.728 0.718 0.910 0.522 CB 1.313 68 residues pruned to eliminate duplicates Z: 37 28.279 1.879 0.711 0.715 0.944 0.583 CB 1.277 37 residues pruned to eliminate duplicates Z: 30 29.528 1.895 0.639 0.743 0.966 0.586 CB 1.472 30 residues pruned to eliminate duplicates Z: 39 31.816 1.873 0.657 0.734 1.000 0.500 CB 1.348 39 residues pruned to eliminate duplicates Z: 75 42.335 1.891 0.683 0.747 0.932 0.500 CB 1.330 75 residues pruned to eliminate duplicates Z: 40 29.614 1.878 0.646 0.692 0.949 0.615 CB 1.357 40 residues pruned to eliminate duplicates Z: 31 28.470 1.869 0.572 0.731 0.967 0.567 CB 1.487 31 residues pruned to eliminate duplicates Z: 11 12.260 1.763 0.519 0.724 1.000 0.500 CB 1.183 11 residues pruned to eliminate duplicates Z: 39 31.132 1.910 0.693 0.760 0.974 0.579 CB 1.273 39 residues pruned to eliminate duplicates Z: 10 8.993 1.787 0.669 0.821 0.889 0.444 CB 0.856 10 residues pruned to eliminate duplicates Z: 22 15.862 1.824 0.299 0.768 1.000 0.762 CB 1.152 22 residues pruned to eliminate duplicates Z: 68 37.423 1.898 0.571 0.752 0.940 0.612 CB 1.303 68 residues pruned to eliminate duplicates Z: 21 17.342 1.823 0.496 0.767 1.000 0.800 CB 1.123 21 residues pruned to eliminate duplicates Z: 41 29.720 1.893 0.633 0.762 0.950 0.650 CB 1.268 41 residues pruned to eliminate duplicates Z: 27 17.712 1.873 0.521 0.712 0.962 0.615 CB 1.046 27 residues pruned to eliminate duplicates Z: 19 10.266 1.759 0.507 0.571 0.889 0.556 CB 0.959 19 residues pruned to eliminate duplicates Z: 53 32.179 1.880 0.621 0.748 0.904 0.596 CB 1.298 53 residues pruned to eliminate duplicates Z: 18 11.956 1.805 0.491 0.726 0.824 0.588 CB 1.067 18 residues pruned to eliminate duplicates Z: 105 45.317 1.930 0.626 0.762 0.904 0.615 CB 1.241 105 residues pruned to eliminate duplicates Z: 50 19.839 1.872 0.307 0.651 0.898 0.633 CB 1.121 50 residues pruned to eliminate duplicates Z: 20 16.621 1.765 0.588 0.609 0.947 0.526 CB 1.296 20 residues pruned to eliminate duplicates Z: 21 10.318 1.858 0.187 0.604 0.850 0.650 CB 1.114 21 residues pruned to eliminate duplicates Z: 41 28.703 1.998 0.525 0.747 0.950 0.775 CB 1.257 41 residues pruned to eliminate duplicates Z: 14 11.514 1.906 0.276 0.685 0.923 0.615 CB 1.200 14 residues pruned to eliminate duplicates Z: 10 12.915 1.968 0.235 0.860 1.000 0.778 CB 1.303 10 residues pruned to eliminate duplicates Z: 43 24.849 1.973 0.383 0.723 0.905 0.690 CB 1.270 43 residues pruned to eliminate duplicates Z: 28 11.893 1.792 0.265 0.549 0.852 0.519 CB 1.130 28 residues pruned to eliminate duplicates Z: 13 12.826 2.000 0.160 0.679 1.000 0.500 CB 1.354 13 residues pruned to eliminate duplicates Z: 25 13.086 1.793 0.385 0.563 0.875 0.583 CB 1.157 25 residues pruned to eliminate duplicates Z: 18 12.270 1.907 0.329 0.562 0.941 0.529 CB 1.174 18 residues pruned to eliminate duplicates Z: 44 26.127 1.940 0.400 0.709 0.977 0.698 CB 1.242 44 residues pruned to eliminate duplicates Z: 43 20.092 1.905 0.257 0.639 0.952 0.619 CB 1.194 43 residues pruned to eliminate duplicates Z: 44 23.150 1.956 0.475 0.680 0.884 0.605 CB 1.173 44 residues pruned to eliminate duplicates Z: 46 27.040 1.970 0.577 0.649 0.911 0.689 CB 1.239 46 residues pruned to eliminate duplicates Z: 42 26.797 2.021 0.412 0.715 0.902 0.732 CB 1.337 42 residues pruned to eliminate duplicates Z: 27 26.530 2.044 0.591 0.795 0.962 0.731 CB 1.285 27 residues pruned to eliminate duplicates Z: 47 20.495 1.906 0.443 0.638 0.870 0.696 CB 1.110 47 residues pruned to eliminate duplicates Z: 27 28.641 2.062 0.638 0.819 0.962 0.731 CB 1.312 27 residues pruned to eliminate duplicates Z: 21 29.278 2.095 0.764 0.795 1.000 0.900 CB 1.368 21 residues pruned to eliminate duplicates Z: 82 37.720 1.934 0.573 0.743 0.914 0.654 CB 1.214 82 residues pruned to eliminate duplicates Z: 48 25.822 1.952 0.486 0.699 0.915 0.702 CB 1.184 48 residues pruned to eliminate duplicates Z: 38 20.990 1.901 0.454 0.618 0.838 0.622 CB 1.332 38 residues pruned to eliminate duplicates Z: 81 39.587 1.951 0.606 0.734 0.925 0.625 CB 1.238 81 residues pruned to eliminate duplicates Z: 25 33.703 2.096 0.896 0.846 1.000 0.708 CB 1.287 25 residues pruned to eliminate duplicates Z: 41 29.715 2.001 0.613 0.758 0.975 0.600 CB 1.187 41 residues pruned to eliminate duplicates Z: 63 24.833 1.837 0.609 0.670 0.871 0.597 CB 1.047 63 residues pruned to eliminate duplicates Z: 41 26.794 2.002 0.646 0.750 0.875 0.575 CB 1.176 41 residues pruned to eliminate duplicates Z: 41 28.190 1.999 0.660 0.729 0.950 0.550 CB 1.151 41 residues pruned to eliminate duplicates Z: 28 28.152 2.029 0.646 0.745 0.963 0.630 CB 1.353 28 residues pruned to eliminate duplicates Z: 43 26.655 1.932 0.653 0.703 0.929 0.643 CB 1.153 43 residues pruned to eliminate duplicates Z: 30 29.180 1.985 0.847 0.722 1.000 0.414 CB 1.209 30 residues pruned to eliminate duplicates Z: 47 27.416 1.957 0.573 0.720 0.957 0.565 CB 1.125 47 residues pruned to eliminate duplicates Z: 34 26.875 2.003 0.790 0.701 0.939 0.576 CB 1.157 34 residues pruned to eliminate duplicates Z: 27 29.386 2.050 0.703 0.794 0.962 0.538 CB 1.327 27 residues pruned to eliminate duplicates Z: 31 24.682 1.942 0.741 0.701 0.900 0.600 CB 1.232 31 residues pruned to eliminate duplicates Z: 51 25.319 1.899 0.590 0.648 0.920 0.540 CB 1.123 51 residues pruned to eliminate duplicates Z: 28 29.566 2.053 0.841 0.756 0.926 0.741 CB 1.294 28 residues pruned to eliminate duplicates Z: 54 42.933 2.034 0.892 0.795 0.962 0.642 CB 1.229 54 residues pruned to eliminate duplicates Z: 54 46.810 2.065 0.807 0.819 0.981 0.717 CB 1.331 54 residues pruned to eliminate duplicates Z: 54 42.133 2.027 0.689 0.813 0.981 0.736 CB 1.312 54 residues pruned to eliminate duplicates Z: 35 27.888 1.931 0.840 0.725 0.912 0.676 CB 1.205 36 residues pruned to eliminate duplicates Z: 27 35.277 2.035 0.809 0.893 1.000 0.846 CB 1.349 27 residues pruned to eliminate duplicates Z: 27 35.726 2.009 0.815 0.892 1.000 0.846 CB 1.380 27 residues pruned to eliminate duplicates Z: 30 30.893 1.986 0.760 0.803 0.931 0.793 CB 1.353 30 residues pruned to eliminate duplicates Z: 81 40.293 1.968 0.620 0.751 0.938 0.713 CB 1.205 81 residues pruned to eliminate duplicates Z: 26 31.602 1.993 0.593 0.912 1.000 0.920 CB 1.410 26 residues pruned to eliminate duplicates Z: 109 50.431 1.968 0.623 0.731 0.935 0.685 CB 1.319 110 residues pruned to eliminate duplicates Z: 27 33.416 1.987 0.863 0.889 1.000 0.731 CB 1.275 27 residues pruned to eliminate duplicates Z: 26 36.082 2.069 0.658 0.917 1.000 0.960 CB 1.484 26 residues pruned to eliminate duplicates Z: 25 34.340 2.072 0.772 0.905 0.958 0.792 CB 1.417 25 residues pruned to eliminate duplicates Z: 55 44.735 2.058 0.866 0.783 0.963 0.722 CB 1.284 54 residues pruned to eliminate duplicates Z: 29 34.302 2.016 0.793 0.890 0.964 0.857 CB 1.338 27 residues pruned to eliminate duplicates Z: 25 33.481 2.038 0.641 0.911 1.000 0.833 CA 1.448 25 residues pruned to eliminate duplicates Z: 29 33.932 2.018 0.762 0.840 0.964 0.786 CB 1.396 29 residues pruned to eliminate duplicates Z: 27 37.790 2.039 0.943 0.892 1.000 0.846 CB 1.344 27 residues pruned to eliminate duplicates Z: 55 45.053 2.025 0.773 0.794 0.981 0.778 CB 1.345 55 residues pruned to eliminate duplicates Z: 27 35.422 2.046 0.837 0.900 1.000 0.769 CB 1.321 27 residues pruned to eliminate duplicates Z: 76 39.960 1.934 0.719 0.732 0.920 0.573 CB 1.225 76 residues pruned to eliminate duplicates Z: 28 35.473 2.042 0.852 0.865 1.000 0.852 CB 1.322 30 residues pruned to eliminate duplicates Z: 28 33.339 1.971 0.951 0.874 0.926 0.852 CB 1.312 28 residues pruned to eliminate duplicates Z: 68 43.401 1.991 0.803 0.778 0.955 0.731 CB 1.210 68 residues pruned to eliminate duplicates Z: 28 37.318 2.038 0.936 0.843 1.000 0.704 CB 1.356 28 residues pruned to eliminate duplicates Z: 27 38.393 2.033 0.965 0.927 1.000 0.846 CB 1.321 27 residues pruned to eliminate duplicates Z: 26 37.180 2.039 1.055 0.915 1.000 0.800 CB 1.254 26 residues pruned to eliminate duplicates Z: 27 43.482 2.068 1.205 0.907 1.000 0.846 CB 1.330 27 residues pruned to eliminate duplicates Z: 11 14.825 1.987 0.497 0.762 0.900 0.700 CB 1.387 9 residues pruned to eliminate duplicates Z: 16 24.719 2.085 0.686 0.855 1.000 0.800 CB 1.340 16 residues pruned to eliminate duplicates Z: 21 22.253 1.944 0.727 0.692 0.900 0.650 CB 1.382 21 residues pruned to eliminate duplicates Z: 21 22.411 1.896 0.572 0.787 0.950 0.650 CB 1.375 20 residues pruned to eliminate duplicates Z: 16 25.373 2.052 0.990 0.902 0.867 0.800 CB 1.320 16 residues pruned to eliminate duplicates Z: 22 23.336 1.937 0.785 0.742 0.952 0.619 CB 1.244 22 residues pruned to eliminate duplicates Z: 15 22.404 2.054 0.838 0.792 0.857 0.429 CB 1.433 15 residues pruned to eliminate duplicates Z: 39 23.363 1.891 0.587 0.565 0.947 0.579 CB 1.252 39 residues pruned to eliminate duplicates Z: 14 14.326 1.863 0.563 0.613 0.923 0.692 CB 1.329 14 residues pruned to eliminate duplicates Z: 19 13.391 1.872 0.469 0.441 0.944 0.389 CB 1.293 20 residues pruned to eliminate duplicates Z: 15 19.280 2.016 0.924 0.786 0.786 0.286 CB 1.315 15 residues pruned to eliminate duplicates Z: 19 11.957 1.850 0.520 0.538 0.889 0.444 CB 1.087 19 residues pruned to eliminate duplicates Z: 41 21.870 1.943 0.462 0.584 0.900 0.600 CB 1.248 41 residues pruned to eliminate duplicates Z: 43 18.144 1.946 0.481 0.494 0.833 0.452 CB 1.173 43 residues pruned to eliminate duplicates Z: 28 17.232 1.935 0.418 0.544 0.926 0.519 CB 1.251 28 residues pruned to eliminate duplicates Z: 25 15.576 1.964 0.373 0.588 0.958 0.708 CB 1.131 25 residues pruned to eliminate duplicates Z: 27 13.816 1.913 0.468 0.541 0.885 0.615 CB 1.047 27 residues pruned to eliminate duplicates Z: 23 15.968 2.036 0.269 0.645 1.000 0.864 CB 1.150 23 residues pruned to eliminate duplicates Z: 26 14.215 1.941 0.362 0.567 0.880 0.680 CB 1.145 26 residues pruned to eliminate duplicates Z: 26 15.536 1.986 0.488 0.546 0.880 0.640 CB 1.142 26 residues pruned to eliminate duplicates Z: 39 17.821 1.921 0.534 0.526 0.921 0.605 CB 1.038 39 residues pruned to eliminate duplicates Z: 28 14.787 1.980 0.663 0.520 0.852 0.519 CB 0.995 28 residues pruned to eliminate duplicates Z: 27 13.279 1.947 0.488 0.541 0.846 0.538 CB 1.020 27 residues pruned to eliminate duplicates Z: 23 13.433 1.986 0.397 0.643 0.909 0.773 CB 0.993 23 residues pruned to eliminate duplicates Z: 42 30.301 2.003 0.687 0.685 0.927 0.732 CB 1.274 42 residues pruned to eliminate duplicates Z: 43 25.783 1.967 0.502 0.681 0.929 0.738 CB 1.228 43 residues pruned to eliminate duplicates Z: 46 17.780 1.878 0.421 0.459 0.844 0.489 CB 1.226 46 residues pruned to eliminate duplicates Z: 41 29.541 1.998 0.591 0.691 0.925 0.725 CB 1.334 41 residues pruned to eliminate duplicates Z: 42 29.521 1.991 0.603 0.692 0.927 0.683 CB 1.307 42 residues pruned to eliminate duplicates Z: 42 26.045 1.960 0.539 0.685 0.854 0.659 CB 1.333 42 residues pruned to eliminate duplicates Z: 47 25.138 1.926 0.545 0.611 0.848 0.696 CB 1.323 47 residues pruned to eliminate duplicates Z: 26 9.527 1.781 0.523 0.449 0.800 0.440 CB 0.926 26 residues pruned to eliminate duplicates Z: 27 13.954 1.906 0.607 0.419 0.846 0.423 CB 1.149 27 residues pruned to eliminate duplicates Z: 28 13.339 1.924 0.407 0.555 0.815 0.630 CB 1.103 28 residues pruned to eliminate duplicates Z: 25 15.986 2.017 0.420 0.580 0.917 0.625 CB 1.151 25 residues pruned to eliminate duplicates Z: 49 30.253 1.922 0.520 0.714 0.896 0.667 CB 1.374 49 residues pruned to eliminate duplicates Z: 35 24.312 1.997 0.560 0.622 0.971 0.676 CB 1.229 35 residues pruned to eliminate duplicates Z: 37 23.095 1.865 0.571 0.600 0.889 0.583 CB 1.344 37 residues pruned to eliminate duplicates Z: 45 28.438 1.971 0.584 0.640 0.909 0.659 CB 1.325 45 residues pruned to eliminate duplicates Z: 19 28.656 1.964 0.766 0.829 0.944 0.722 CB 1.552 19 residues pruned to eliminate duplicates Z: 37 22.969 1.936 0.522 0.636 0.944 0.556 CB 1.211 37 residues pruned to eliminate duplicates Z: 49 31.261 1.933 0.614 0.680 0.958 0.625 CB 1.278 49 residues pruned to eliminate duplicates Z: 20 26.988 1.936 0.765 0.818 0.895 0.737 CB 1.537 20 residues pruned to eliminate duplicates Z: 49 23.052 1.889 0.560 0.606 0.896 0.604 CB 1.139 49 residues pruned to eliminate duplicates Z: 18 22.206 1.921 0.758 0.797 0.824 0.588 CB 1.493 18 residues pruned to eliminate duplicates Z: 42 27.498 1.971 0.626 0.724 0.951 0.707 CB 1.151 42 residues pruned to eliminate duplicates Z: 83 36.360 1.917 0.479 0.690 0.927 0.646 CB 1.284 83 residues pruned to eliminate duplicates Z: 84 38.574 1.895 0.659 0.675 0.928 0.566 CB 1.236 84 residues pruned to eliminate duplicates Z: 51 34.214 1.914 0.675 0.724 0.980 0.700 CB 1.259 51 residues pruned to eliminate duplicates Z: 25 28.623 1.845 0.800 0.924 1.000 0.833 CB 1.236 25 residues pruned to eliminate duplicates Z: 66 28.314 1.820 0.503 0.610 0.862 0.615 CB 1.343 58 residues pruned to eliminate duplicates Z: 28 31.469 1.877 0.770 0.881 0.926 0.667 CB 1.426 28 residues pruned to eliminate duplicates Z: 50 32.148 1.947 0.662 0.734 0.939 0.633 CB 1.225 50 residues pruned to eliminate duplicates Z: 40 32.638 1.863 0.761 0.734 0.974 0.590 CB 1.325 40 residues pruned to eliminate duplicates Z: 50 33.799 1.886 0.681 0.750 0.980 0.571 CB 1.244 50 residues pruned to eliminate duplicates Z: 51 32.219 1.956 0.617 0.730 0.900 0.680 CB 1.301 51 residues pruned to eliminate duplicates Z: 54 27.428 1.808 0.516 0.693 0.887 0.679 CB 1.300 54 residues pruned to eliminate duplicates Z: 49 28.005 1.861 0.647 0.680 0.917 0.604 CB 1.220 49 residues pruned to eliminate duplicates Z: 74 35.742 1.889 0.625 0.692 0.959 0.644 CB 1.192 74 residues pruned to eliminate duplicates Z: 40 27.557 1.870 0.588 0.738 0.923 0.641 CB 1.300 40 residues pruned to eliminate duplicates Z: 59 31.061 1.923 0.478 0.684 0.914 0.621 CB 1.327 59 residues pruned to eliminate duplicates Z: 49 27.931 1.896 0.697 0.677 0.917 0.646 CB 1.162 49 residues pruned to eliminate duplicates Z: 50 34.426 1.881 0.549 0.777 0.939 0.714 CB 1.407 50 residues pruned to eliminate duplicates Z: 33 25.429 1.902 0.550 0.663 0.969 0.719 CB 1.353 33 residues pruned to eliminate duplicates Z: 57 25.956 1.814 0.384 0.710 0.893 0.661 CB 1.278 57 residues pruned to eliminate duplicates Z: 52 26.399 1.868 0.547 0.607 0.863 0.549 CB 1.339 52 residues pruned to eliminate duplicates Z: 51 29.851 1.806 0.645 0.660 0.860 0.620 CB 1.424 51 residues pruned to eliminate duplicates Z: 38 27.327 1.905 0.481 0.752 0.973 0.757 CB 1.307 38 residues pruned to eliminate duplicates Z: 84 43.515 1.931 0.568 0.758 0.988 0.747 CB 1.269 84 residues pruned to eliminate duplicates Z: 30 20.035 1.898 0.359 0.663 0.931 0.759 CB 1.331 30 residues pruned to eliminate duplicates Z: 35 26.691 1.892 0.552 0.745 0.941 0.676 CB 1.330 35 residues pruned to eliminate duplicates Z: 34 25.808 1.911 0.438 0.765 0.939 0.818 CB 1.376 34 residues pruned to eliminate duplicates Z: 39 24.027 1.870 0.618 0.677 0.895 0.658 CB 1.223 39 residues pruned to eliminate duplicates Z: 84 42.901 1.930 0.588 0.752 0.964 0.711 CB 1.273 84 residues pruned to eliminate duplicates Z: 34 23.720 1.930 0.470 0.743 0.879 0.758 CB 1.332 34 residues pruned to eliminate duplicates Z: 25 19.277 1.782 0.536 0.682 0.917 0.667 CB 1.327 25 residues pruned to eliminate duplicates Z: 24 22.723 1.840 0.579 0.753 1.000 0.826 CB 1.302 24 residues pruned to eliminate duplicates Z: 48 26.063 1.830 0.483 0.693 0.894 0.745 CB 1.314 48 residues pruned to eliminate duplicates Z: 33 23.797 1.935 0.391 0.751 0.969 0.844 CB 1.290 33 residues pruned to eliminate duplicates Z: 44 24.933 1.838 0.581 0.684 0.884 0.674 CB 1.250 44 residues pruned to eliminate duplicates Z: 32 26.103 1.975 0.505 0.745 0.935 0.806 CB 1.354 32 residues pruned to eliminate duplicates Z: 36 25.262 1.929 0.560 0.699 0.943 0.743 CB 1.255 36 residues pruned to eliminate duplicates Z: 58 40.727 1.881 0.639 0.817 0.965 0.789 CB 1.377 58 residues pruned to eliminate duplicates Z: 36 27.877 1.877 0.570 0.716 1.000 0.800 CB 1.316 36 residues pruned to eliminate duplicates Z: 32 31.044 1.926 0.789 0.753 0.968 0.710 CB 1.334 42 residues pruned to eliminate duplicates Z: 29 29.206 1.891 0.862 0.841 0.929 0.607 CB 1.259 28 residues pruned to eliminate duplicates Z: 31 29.079 1.893 0.739 0.854 0.967 0.767 CB 1.232 30 residues pruned to eliminate duplicates Z: 31 28.399 1.899 0.779 0.816 0.933 0.700 CB 1.249 31 residues pruned to eliminate duplicates Z: 34 25.541 1.908 0.693 0.690 0.909 0.667 CB 1.272 34 residues pruned to eliminate duplicates Z: 60 41.674 1.887 0.747 0.792 0.966 0.729 CB 1.318 60 residues pruned to eliminate duplicates Z: 55 36.538 1.844 0.691 0.740 0.963 0.667 CB 1.335 55 residues pruned to eliminate duplicates Z: 11 17.261 1.850 0.573 0.904 1.000 0.900 CB 1.336 13 residues pruned to eliminate duplicates Z: 8 13.939 1.960 0.865 0.879 0.857 0.429 CB 1.219 8 residues pruned to eliminate duplicates Z: 46 24.808 1.845 0.587 0.644 0.911 0.533 CB 1.211 46 residues pruned to eliminate duplicates Z: 99 40.047 1.861 0.613 0.680 0.929 0.653 CB 1.230 99 residues pruned to eliminate duplicates Z: 68 28.166 1.756 0.624 0.624 0.896 0.507 CB 1.198 66 residues pruned to eliminate duplicates Z: 12 13.182 1.766 0.668 0.754 0.909 0.636 CB 1.183 12 residues pruned to eliminate duplicates Z: 38 25.242 1.864 0.753 0.688 0.919 0.676 CB 1.163 38 residues pruned to eliminate duplicates Z: 8 2.997 1.522 0.323 0.154 0.714 0.286 CB 1.204 8 residues pruned to eliminate duplicates Z: 39 25.029 1.868 0.549 0.676 0.921 0.789 CB 1.295 39 residues pruned to eliminate duplicates Z: 7 3.226 1.644 0.203 0.303 0.833 0.000 CB 0.995 Z: 26 14.819 1.652 0.457 0.834 0.960 0.680 CB 0.961 26 residues pruned to eliminate duplicates Z: 10 6.113 1.451 0.523 0.703 0.778 0.333 CB 0.985 10 residues pruned to eliminate duplicates Z: 10 7.631 1.660 0.296 0.676 1.000 0.556 CB 1.006 17 residues pruned to eliminate duplicates Z: 10 5.578 1.516 0.434 0.627 0.889 0.444 CB 0.854 10 residues pruned to eliminate duplicates Z: 16 7.493 1.557 0.373 0.543 0.933 0.400 CB 0.930 16 residues pruned to eliminate duplicates Z: 17 8.340 1.493 0.431 0.611 0.875 0.375 CB 1.004 17 residues pruned to eliminate duplicates Z: 9 5.570 1.599 0.196 0.406 0.875 0.250 CB 1.299 9 residues pruned to eliminate duplicates Z: 16 7.648 1.396 0.393 0.612 0.933 0.600 CB 0.978 16 residues pruned to eliminate duplicates Z: 13 10.897 1.708 0.289 0.696 0.917 0.667 CB 1.303 13 residues pruned to eliminate duplicates Z: 19 9.198 1.622 0.276 0.630 0.889 0.556 CB 1.043 19 residues pruned to eliminate duplicates Z: 14 7.599 1.503 0.361 0.730 0.923 0.769 CB 0.907 14 residues pruned to eliminate duplicates Z: 20 15.502 1.799 0.396 0.813 0.895 0.789 CB 1.205 20 residues pruned to eliminate duplicates Z: 27 14.944 1.652 0.485 0.689 0.962 0.423 CB 1.046 27 residues pruned to eliminate duplicates Z: 24 14.745 1.648 0.478 0.733 0.870 0.522 CB 1.177 24 residues pruned to eliminate duplicates Z: 15 12.094 1.745 0.258 0.781 1.000 0.429 CB 1.150 15 residues pruned to eliminate duplicates Z: 23 10.500 1.627 0.401 0.686 0.864 0.682 CB 0.959 23 residues pruned to eliminate duplicates Z: 18 11.280 1.687 0.423 0.692 0.941 0.765 CB 1.016 18 residues pruned to eliminate duplicates Z: 45 31.209 1.960 0.455 0.749 0.955 0.773 CB 1.383 45 residues pruned to eliminate duplicates Z: 17 13.648 1.733 0.507 0.696 0.938 0.500 CB 1.165 17 residues pruned to eliminate duplicates Z: 17 13.185 1.752 0.461 0.708 0.938 0.875 CB 1.138 17 residues pruned to eliminate duplicates Z: 27 15.376 1.704 0.483 0.740 0.923 0.615 CB 1.042 27 residues pruned to eliminate duplicates Z: 23 12.673 1.686 0.424 0.655 0.909 0.591 CB 1.072 23 residues pruned to eliminate duplicates Z: 22 11.919 1.651 0.327 0.599 0.857 0.476 CB 1.260 22 residues pruned to eliminate duplicates Z: 44 31.314 1.954 0.482 0.750 0.953 0.581 CB 1.383 44 residues pruned to eliminate duplicates Z: 21 16.324 1.774 0.472 0.726 0.950 0.550 CB 1.201 21 residues pruned to eliminate duplicates Z: 54 31.479 1.878 0.515 0.715 0.962 0.679 CB 1.299 54 residues pruned to eliminate duplicates Z: 51 30.456 1.897 0.471 0.784 0.940 0.740 CB 1.278 51 residues pruned to eliminate duplicates Z: 109 47.150 1.870 0.565 0.743 0.935 0.722 CB 1.334 109 residues pruned to eliminate duplicates Z: 29 33.695 2.070 0.791 0.796 0.964 0.714 CB 1.375 29 residues pruned to eliminate duplicates Z: 26 26.908 2.038 0.564 0.827 1.000 0.840 CB 1.272 26 residues pruned to eliminate duplicates Z: 45 35.573 1.972 0.690 0.779 0.955 0.659 CB 1.319 45 residues pruned to eliminate duplicates Z: 24 29.952 2.087 0.491 0.935 1.000 0.913 CB 1.398 24 residues pruned to eliminate duplicates Z: 46 29.061 1.925 0.589 0.731 0.911 0.800 CB 1.263 46 residues pruned to eliminate duplicates Z: 44 31.243 1.970 0.565 0.767 0.953 0.721 CB 1.279 44 residues pruned to eliminate duplicates Z: 30 32.253 2.007 0.756 0.742 0.966 0.793 CB 1.417 30 residues pruned to eliminate duplicates Z: 56 28.725 1.827 0.719 0.638 0.945 0.673 CB 1.146 56 residues pruned to eliminate duplicates Z: 27 36.519 2.130 0.906 0.791 0.962 0.769 CB 1.421 27 residues pruned to eliminate duplicates Z: 28 39.341 2.083 0.968 0.821 1.000 0.778 CB 1.398 28 residues pruned to eliminate duplicates Z: 26 32.935 2.008 1.020 0.860 0.880 0.640 CB 1.357 26 residues pruned to eliminate duplicates Z: 54 30.391 1.868 0.738 0.687 0.906 0.604 CB 1.196 51 residues pruned to eliminate duplicates Z: 25 40.053 2.112 0.974 0.929 0.958 0.750 CB 1.432 28 residues pruned to eliminate duplicates Z: 25 40.095 2.101 1.029 0.923 0.958 0.750 CB 1.408 25 residues pruned to eliminate duplicates Z: 25 38.173 2.117 0.969 0.919 0.958 0.792 CB 1.374 25 residues pruned to eliminate duplicates Z: 49 31.028 1.867 0.778 0.712 0.938 0.688 CB 1.187 49 residues pruned to eliminate duplicates Z: 30 36.147 2.029 0.970 0.746 1.000 0.621 CB 1.348 30 residues pruned to eliminate duplicates Z: 28 41.547 2.091 0.981 0.791 1.000 0.704 CB 1.496 27 residues pruned to eliminate duplicates Z: 25 36.246 2.100 0.965 0.897 0.958 0.708 CB 1.339 25 residues pruned to eliminate duplicates Z: 27 38.431 2.138 0.809 0.828 1.000 0.808 CB 1.467 27 residues pruned to eliminate duplicates Z: 45 36.073 1.993 0.688 0.786 0.955 0.705 CB 1.317 45 residues pruned to eliminate duplicates Z: 30 36.004 2.091 0.867 0.821 0.966 0.759 CB 1.343 30 residues pruned to eliminate duplicates Z: 28 41.369 2.102 0.927 0.811 1.000 0.741 CB 1.499 29 residues pruned to eliminate duplicates Z: 24 38.654 2.152 0.805 0.936 1.000 0.826 CB 1.444 24 residues pruned to eliminate duplicates Z: 56 31.713 1.885 0.625 0.737 0.945 0.673 CB 1.193 56 residues pruned to eliminate duplicates Z: 54 36.745 1.908 0.710 0.752 0.962 0.755 CB 1.283 54 residues pruned to eliminate duplicates Z: 45 26.623 1.878 0.822 0.656 0.841 0.523 CB 1.207 43 residues pruned to eliminate duplicates Z: 9 4.535 1.580 0.347 0.637 0.750 0.500 CB 0.884 9 residues pruned to eliminate duplicates Z: 28 24.567 1.877 0.521 0.824 0.963 0.778 CB 1.299 28 residues pruned to eliminate duplicates Z: 54 45.874 1.993 0.767 0.816 0.981 0.698 CB 1.385 54 residues pruned to eliminate duplicates Z: 18 7.651 1.552 0.510 0.424 0.824 0.412 CB 1.040 18 residues pruned to eliminate duplicates Z: 71 40.880 1.949 0.593 0.779 0.929 0.671 CB 1.326 71 residues pruned to eliminate duplicates Z: 27 24.793 1.892 0.572 0.828 0.885 0.769 CB 1.391 27 residues pruned to eliminate duplicates Z: 55 43.766 1.969 0.733 0.805 0.963 0.778 CB 1.388 55 residues pruned to eliminate duplicates Z: 77 38.985 1.927 0.570 0.747 0.921 0.645 CB 1.287 77 residues pruned to eliminate duplicates Z: 26 27.795 1.905 0.579 0.857 0.960 0.880 CB 1.419 27 residues pruned to eliminate duplicates Z: 26 26.622 1.896 0.470 0.891 1.000 0.760 CB 1.374 26 residues pruned to eliminate duplicates Z: 28 26.262 1.898 0.543 0.824 0.963 0.741 CB 1.354 28 residues pruned to eliminate duplicates Z: 27 26.339 1.887 0.526 0.841 1.000 0.731 CB 1.337 27 residues pruned to eliminate duplicates Z: 20 24.789 1.918 0.525 0.871 0.947 0.737 CB 1.497 20 residues pruned to eliminate duplicates Z: 19 28.997 1.981 0.576 0.910 1.000 0.833 CB 1.554 19 residues pruned to eliminate duplicates Z: 27 22.410 1.853 0.641 0.754 0.923 0.808 CB 1.249 27 residues pruned to eliminate duplicates Z: 55 41.713 1.970 0.681 0.800 0.963 0.833 CB 1.369 55 residues pruned to eliminate duplicates Z: 20 26.674 1.944 0.650 0.861 0.947 0.474 CB 1.480 20 residues pruned to eliminate duplicates Z: 13 25.262 1.970 0.831 0.906 1.000 0.917 CB 1.438 13 residues pruned to eliminate duplicates Z: 18 28.826 2.008 0.745 0.941 0.941 0.824 CB 1.471 18 residues pruned to eliminate duplicates Z: 19 19.920 1.817 0.782 0.667 0.889 0.611 CB 1.397 19 residues pruned to eliminate duplicates Z: 27 30.187 1.886 0.728 0.870 1.000 0.846 CB 1.326 27 residues pruned to eliminate duplicates Z: 13 27.043 1.920 0.963 0.888 1.000 0.667 N 1.492 13 residues pruned to eliminate duplicates Z: 27 31.379 1.874 0.746 0.911 1.000 0.615 CB 1.333 26 residues pruned to eliminate duplicates Z: 27 24.070 1.876 0.659 0.847 0.885 0.615 CB 1.272 27 residues pruned to eliminate duplicates Z: 21 27.489 1.914 0.831 0.831 0.950 0.500 CB 1.387 21 residues pruned to eliminate duplicates Z: 29 27.491 1.848 0.682 0.788 0.964 0.750 CB 1.346 29 residues pruned to eliminate duplicates 375 residues left after pruning, divided into chains as follows: A: 30 B: 158 C: 187 CC for partial structure against native data = 46.48 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.453, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.519, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.621, Connect. = 0.752 for dens.mod. cycle 3 = 0.300, Contrast = 0.631, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.643, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.648, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.654, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.656, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.659, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.661, Connect. = 0.757 for dens.mod. cycle 10 TimeTaking 108.18