++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:21:19 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-hancs/1zkg-2.3-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1zkg-2.3-parrot-hancs/1zkg-2.3-parrot-hancs.ins Phases from ./1zkg-2.3-parrot-hancs/1zkg-2.3-parrot-hancs.phi Native data from ./1zkg-2.3-parrot-hancs/1zkg-2.3-parrot-hancs.hkl Listing output to ./1zkg-2.3-parrot-hancs/1zkg-2.3-parrot-hancs.lst Phases output to ./1zkg-2.3-parrot-hancs/1zkg-2.3-parrot-hancs.phs Poly-Ala trace output to ./1zkg-2.3-parrot-hancs/1zkg-2.3-parrot-hancs.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-hancs/1zkg-2.3-parrot-hancs.phi 21358 Reflections read from file ./1zkg-2.3-parrot-hancs/1zkg-2.3-parrot-hancs.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 = 0.448, Connect. = 0.709 for dens.mod. cycle 1 = 0.300, Contrast = 0.455, Connect. = 0.686 for dens.mod. cycle 2 = 0.300, Contrast = 0.558, Connect. = 0.719 for dens.mod. cycle 3 = 0.300, Contrast = 0.597, Connect. = 0.730 for dens.mod. cycle 4 = 0.300, Contrast = 0.620, Connect. = 0.738 for dens.mod. cycle 5 = 0.300, Contrast = 0.633, Connect. = 0.743 for dens.mod. cycle 6 = 0.300, Contrast = 0.642, Connect. = 0.747 for dens.mod. cycle 7 = 0.300, Contrast = 0.648, Connect. = 0.750 for dens.mod. cycle 8 = 0.300, Contrast = 0.652, Connect. = 0.752 for dens.mod. cycle 9 = 0.300, Contrast = 0.654, Connect. = 0.754 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1163 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 385 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 29.495 2.131 0.895 0.904 1.000 0.667 CB 1.343 B: 16 31.087 2.056 1.117 0.916 1.000 0.867 CB 1.303 C: 16 25.753 2.098 0.614 0.924 1.000 0.867 CB 1.379 16 residues pruned to eliminate duplicates D: 16 26.296 2.129 0.634 0.918 1.000 0.800 CB 1.376 16 residues pruned to eliminate duplicates E: 24 39.589 2.056 0.875 0.901 0.957 0.739 CB 1.597 F: 26 25.997 1.877 0.902 0.852 0.920 0.600 CB 1.171 G: 17 26.759 2.055 0.608 0.894 1.000 0.750 CB 1.452 16 residues pruned to eliminate duplicates H: 29 35.173 1.935 0.724 0.905 1.000 0.893 CB 1.418 I: 24 31.357 2.013 0.930 0.945 1.000 0.826 CB 1.164 J: 28 36.239 1.997 0.898 0.915 0.926 0.889 CB 1.404 28 residues pruned to eliminate duplicates K: 16 29.527 2.144 0.846 0.939 1.000 0.733 CB 1.339 16 residues pruned to eliminate duplicates L: 26 25.657 1.932 0.695 0.906 0.960 0.840 CB 1.161 26 residues pruned to eliminate duplicates M: 16 31.985 2.043 0.894 0.898 1.000 0.867 CB 1.526 16 residues pruned to eliminate duplicates N: 24 35.875 2.051 0.670 0.940 1.000 0.957 CB 1.516 24 residues pruned to eliminate duplicates O: 24 37.419 2.074 0.862 0.911 0.957 0.826 CB 1.497 24 residues pruned to eliminate duplicates P: 26 36.145 1.984 0.740 0.931 1.000 0.960 CA 1.464 26 residues pruned to eliminate duplicates Q: 25 44.333 2.058 1.035 0.932 1.000 0.917 CB 1.510 24 residues pruned to eliminate duplicates R: 18 29.578 1.971 0.821 0.884 0.941 0.882 CB 1.534 S: 18 29.118 1.942 0.721 0.922 1.000 0.824 CB 1.486 18 residues pruned to eliminate duplicates T: 25 30.631 1.975 0.997 0.898 0.958 0.500 CB 1.183 25 residues pruned to eliminate duplicates U: 26 37.588 1.988 0.944 0.864 0.960 0.800 CB 1.486 26 residues pruned to eliminate duplicates V: 27 33.212 2.021 0.607 0.921 1.000 0.962 CB 1.412 27 residues pruned to eliminate duplicates W: 25 34.622 2.035 0.756 0.922 0.958 0.875 CB 1.451 25 residues pruned to eliminate duplicates X: 22 24.668 1.910 0.818 0.855 0.952 0.619 CB 1.202 22 residues pruned to eliminate duplicates Y: 27 25.835 1.867 0.718 0.867 0.923 0.692 CB 1.252 27 residues pruned to eliminate duplicates Z: 16 25.475 1.909 0.910 0.866 0.933 0.733 CB 1.415 Z: 24 27.647 1.990 0.577 0.882 0.957 0.870 CB 1.389 24 residues pruned to eliminate duplicates Z: 24 43.321 2.033 1.032 0.917 1.000 0.913 CB 1.544 24 residues pruned to eliminate duplicates Z: 16 30.208 2.050 0.879 0.909 0.933 0.667 CB 1.540 15 residues pruned to eliminate duplicates Z: 28 29.464 1.819 0.910 0.820 1.000 0.630 CB 1.237 14 residues pruned to eliminate duplicates Z: 13 15.638 1.693 0.872 0.887 0.917 0.833 CB 1.120 Z: 24 36.262 1.968 0.920 0.916 1.000 0.826 CB 1.413 24 residues pruned to eliminate duplicates Z: 25 30.077 1.974 0.896 0.879 0.917 0.750 CB 1.298 25 residues pruned to eliminate duplicates Z: 18 29.609 1.937 0.745 0.912 1.000 0.941 CB 1.505 18 residues pruned to eliminate duplicates Z: 19 24.942 1.943 0.652 0.905 1.000 0.889 CB 1.304 Z: 18 29.474 1.935 0.914 0.905 1.000 0.882 CB 1.374 18 residues pruned to eliminate duplicates Z: 14 20.660 1.831 0.740 0.876 1.000 0.846 CB 1.307 14 residues pruned to eliminate duplicates Z: 27 34.283 1.998 0.809 0.873 1.000 0.769 CB 1.355 27 residues pruned to eliminate duplicates Z: 32 28.723 1.809 0.704 0.818 0.935 0.710 CB 1.357 19 residues pruned to eliminate duplicates Z: 25 25.356 1.938 0.404 0.927 1.000 0.833 CB 1.333 25 residues pruned to eliminate duplicates Z: 26 31.915 1.897 0.718 0.942 0.960 0.920 CB 1.415 26 residues pruned to eliminate duplicates Z: 24 30.328 2.021 0.839 0.950 1.000 0.913 CB 1.174 24 residues pruned to eliminate duplicates Z: 21 30.958 1.940 1.007 0.926 1.000 0.800 CB 1.247 22 residues pruned to eliminate duplicates Z: 21 29.284 1.867 0.901 0.929 1.000 0.550 CB 1.291 18 residues pruned to eliminate duplicates Z: 29 37.120 1.928 0.854 0.913 1.000 0.964 CB 1.389 29 residues pruned to eliminate duplicates Z: 8 13.841 1.903 0.293 0.886 1.000 0.714 CA 1.534 8 residues pruned to eliminate duplicates Z: 31 27.004 1.763 0.566 0.863 1.000 0.800 CB 1.310 21 residues pruned to eliminate duplicates Z: 14 20.437 1.808 0.644 0.838 0.923 0.538 CB 1.544 13 residues pruned to eliminate duplicates Z: 20 26.955 1.880 0.761 0.877 0.947 0.526 CB 1.431 20 residues pruned to eliminate duplicates Z: 26 32.111 1.913 0.919 0.880 1.000 0.800 CB 1.268 26 residues pruned to eliminate duplicates Z: 15 21.847 1.978 0.501 0.941 1.000 0.929 CB 1.365 15 residues pruned to eliminate duplicates Z: 28 25.635 1.761 0.816 0.803 0.889 0.741 CB 1.332 12 residues pruned to eliminate duplicates Z: 22 29.859 1.858 0.698 0.898 1.000 0.857 CB 1.477 23 residues pruned to eliminate duplicates Z: 26 30.716 1.983 0.604 0.903 1.000 0.880 CB 1.377 26 residues pruned to eliminate duplicates Z: 27 33.395 2.013 0.706 0.913 0.962 0.923 CB 1.403 27 residues pruned to eliminate duplicates Z: 20 24.815 1.922 0.806 0.874 0.947 0.895 CB 1.260 20 residues pruned to eliminate duplicates Z: 19 27.309 1.950 0.491 0.930 1.000 1.000 CA 1.548 19 residues pruned to eliminate duplicates Z: 25 44.917 2.058 1.162 0.947 1.000 0.792 CB 1.423 25 residues pruned to eliminate duplicates Z: 24 37.706 2.042 0.919 0.915 0.957 0.783 CB 1.482 24 residues pruned to eliminate duplicates Z: 29 32.017 1.874 0.977 0.891 0.929 0.607 CB 1.265 31 residues pruned to eliminate duplicates Z: 26 32.859 1.865 0.772 0.910 1.000 0.800 CB 1.410 27 residues pruned to eliminate duplicates Z: 24 41.441 2.069 1.141 0.927 1.000 0.739 CB 1.367 24 residues pruned to eliminate duplicates Z: 19 27.070 1.926 0.680 0.885 0.944 0.611 CB 1.508 19 residues pruned to eliminate duplicates Z: 24 23.433 1.819 0.550 0.889 0.913 0.870 CB 1.366 24 residues pruned to eliminate duplicates Z: 8 10.898 1.821 0.358 0.849 1.000 0.571 CB 1.235 8 residues pruned to eliminate duplicates Z: 7 11.038 1.805 0.627 0.893 1.000 0.833 CB 1.102 Z: 7 10.700 1.887 0.686 0.899 1.000 0.833 CB 0.981 Z: 18 26.246 1.875 0.832 0.927 1.000 0.765 CB 1.298 18 residues pruned to eliminate duplicates Z: 21 26.886 1.887 0.748 0.907 0.950 0.900 CB 1.363 21 residues pruned to eliminate duplicates Z: 23 27.384 2.006 0.705 0.925 1.000 0.864 CB 1.198 23 residues pruned to eliminate duplicates Z: 16 26.091 2.106 0.689 0.927 0.933 0.867 CB 1.421 16 residues pruned to eliminate duplicates Z: 25 25.593 1.977 0.489 0.925 1.000 0.792 CB 1.245 25 residues pruned to eliminate duplicates Z: 27 32.856 1.967 0.707 0.888 1.000 0.846 CB 1.383 27 residues pruned to eliminate duplicates Z: 17 28.434 1.991 1.094 0.896 0.938 0.625 CB 1.302 17 residues pruned to eliminate duplicates Z: 25 22.300 1.893 0.551 0.810 0.917 0.833 CB 1.291 25 residues pruned to eliminate duplicates Z: 25 34.482 2.027 0.793 0.912 0.958 0.917 CB 1.431 25 residues pruned to eliminate duplicates Z: 7 8.384 1.901 0.579 0.844 1.000 0.667 CB 0.848 7 residues pruned to eliminate duplicates Z: 29 30.866 1.855 0.877 0.825 0.964 0.679 CB 1.311 27 residues pruned to eliminate duplicates Z: 24 26.746 2.015 0.721 0.935 1.000 0.826 CB 1.121 24 residues pruned to eliminate duplicates Z: 16 31.875 2.066 0.928 0.911 1.000 0.867 CB 1.464 16 residues pruned to eliminate duplicates Z: 8 16.342 2.099 0.744 0.884 1.000 0.857 CB 1.219 Z: 16 28.231 1.994 0.756 0.894 1.000 0.733 CB 1.493 16 residues pruned to eliminate duplicates Z: 19 24.009 1.880 0.696 0.917 1.000 0.833 CB 1.252 18 residues pruned to eliminate duplicates Z: 9 17.763 2.093 0.613 0.912 1.000 1.000 CB 1.318 8 residues pruned to eliminate duplicates Z: 26 38.990 2.025 0.931 0.908 0.960 0.840 CB 1.475 26 residues pruned to eliminate duplicates Z: 28 21.437 1.795 0.357 0.892 0.963 0.889 CB 1.263 28 residues pruned to eliminate duplicates Z: 20 27.254 1.865 0.843 0.900 1.000 0.421 CB 1.299 20 residues pruned to eliminate duplicates Z: 26 34.863 1.986 0.859 0.925 0.960 0.800 CB 1.380 26 residues pruned to eliminate duplicates Z: 31 25.701 1.678 0.696 0.885 1.000 0.833 CB 1.190 Z: 22 31.534 1.853 0.769 0.925 1.000 0.905 CA 1.474 19 residues pruned to eliminate duplicates Z: 27 39.080 2.024 0.786 0.933 1.000 0.923 CB 1.480 27 residues pruned to eliminate duplicates Z: 23 36.483 2.043 0.816 0.921 1.000 0.682 CB 1.476 23 residues pruned to eliminate duplicates Z: 8 15.282 1.869 0.549 0.837 1.000 0.714 CB 1.493 8 residues pruned to eliminate duplicates Z: 26 37.314 2.007 1.021 0.906 0.960 0.720 CB 1.363 26 residues pruned to eliminate duplicates Z: 25 36.175 1.993 1.202 0.870 0.917 0.333 CB 1.339 25 residues pruned to eliminate duplicates Z: 16 18.955 1.915 0.288 0.897 1.000 0.800 CA 1.422 16 residues pruned to eliminate duplicates Z: 27 31.183 1.999 0.550 0.914 0.962 0.962 CB 1.452 27 residues pruned to eliminate duplicates Z: 27 26.267 1.859 0.461 0.894 1.000 0.885 CB 1.361 27 residues pruned to eliminate duplicates Z: 20 30.900 1.932 0.873 0.940 1.000 1.000 CB 1.361 20 residues pruned to eliminate duplicates Z: 17 21.589 1.775 0.792 0.878 0.938 0.562 CA 1.314 15 residues pruned to eliminate duplicates Z: 16 20.662 2.045 0.766 0.893 1.000 0.667 CB 1.060 16 residues pruned to eliminate duplicates Z: 15 21.247 1.872 0.594 0.916 1.000 0.786 CA 1.344 15 residues pruned to eliminate duplicates Z: 13 13.175 1.696 0.499 0.844 0.917 0.833 CB 1.214 13 residues pruned to eliminate duplicates Z: 9 16.303 2.061 0.584 0.922 1.000 1.000 CB 1.241 9 residues pruned to eliminate duplicates Z: 25 22.659 1.916 0.601 0.862 0.917 0.833 CB 1.207 25 residues pruned to eliminate duplicates Z: 29 26.824 1.807 0.763 0.848 0.893 0.571 CB 1.322 29 residues pruned to eliminate duplicates Z: 26 19.339 1.680 0.604 0.876 0.920 0.680 CB 1.134 Z: 20 18.503 1.731 0.699 0.799 0.895 0.737 CB 1.242 20 residues pruned to eliminate duplicates Z: 6 4.660 1.886 0.912 0.740 0.800 0.800 CB 0.583 6 residues pruned to eliminate duplicates Z: 29 32.964 1.903 0.917 0.887 0.964 0.643 CB 1.277 29 residues pruned to eliminate duplicates Z: 20 25.712 1.831 0.768 0.874 0.947 0.842 CB 1.400 20 residues pruned to eliminate duplicates Z: 28 33.929 1.894 1.010 0.814 0.963 0.741 CB 1.356 28 residues pruned to eliminate duplicates Z: 13 24.573 1.900 1.028 0.929 0.917 0.500 CB 1.405 13 residues pruned to eliminate duplicates Z: 8 8.368 1.716 0.485 0.850 0.857 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 15 19.615 1.736 0.837 0.883 1.000 0.857 CB 1.189 15 residues pruned to eliminate duplicates Z: 16 18.402 1.914 0.378 0.863 0.933 0.733 CA 1.416 16 residues pruned to eliminate duplicates Z: 16 20.185 1.888 0.638 0.864 1.000 0.800 CB 1.235 16 residues pruned to eliminate duplicates Z: 27 26.384 1.865 0.656 0.866 0.923 0.808 CB 1.329 27 residues pruned to eliminate duplicates Z: 18 25.773 1.878 0.706 0.935 1.000 0.882 CB 1.360 18 residues pruned to eliminate duplicates Z: 16 23.505 2.102 0.417 0.916 1.000 0.933 CB 1.439 16 residues pruned to eliminate duplicates Z: 28 30.145 1.850 0.947 0.873 0.926 0.593 CB 1.267 28 residues pruned to eliminate duplicates Z: 29 36.050 1.944 0.858 0.903 0.964 0.893 CB 1.394 29 residues pruned to eliminate duplicates Z: 11 14.384 1.941 0.220 0.901 1.000 0.700 CB 1.372 11 residues pruned to eliminate duplicates Z: 27 23.637 1.863 0.567 0.851 0.923 0.769 CB 1.274 27 residues pruned to eliminate duplicates Z: 20 23.711 1.876 0.862 0.906 0.947 0.474 CB 1.169 20 residues pruned to eliminate duplicates Z: 16 18.930 1.913 0.337 0.914 1.000 0.933 CB 1.352 16 residues pruned to eliminate duplicates Z: 8 9.742 1.659 0.734 0.833 0.857 0.857 CA 1.121 Z: 17 23.414 1.994 0.814 0.879 0.875 0.750 CB 1.341 17 residues pruned to eliminate duplicates Z: 24 39.904 2.067 0.965 0.924 0.957 0.870 CB 1.504 24 residues pruned to eliminate duplicates Z: 14 13.910 1.681 0.468 0.873 0.846 0.846 CB 1.345 13 residues pruned to eliminate duplicates Z: 24 28.219 1.884 0.790 0.938 1.000 0.783 CB 1.213 24 residues pruned to eliminate duplicates Z: 25 25.890 1.980 0.638 0.891 1.000 0.875 CB 1.171 25 residues pruned to eliminate duplicates Z: 11 12.003 1.718 0.715 0.917 1.000 0.700 CB 0.909 11 residues pruned to eliminate duplicates Z: 25 26.969 1.969 0.531 0.912 1.000 0.833 CB 1.293 25 residues pruned to eliminate duplicates Z: 26 26.334 1.889 0.654 0.869 0.960 0.920 CB 1.283 26 residues pruned to eliminate duplicates Z: 23 23.551 1.859 0.446 0.885 0.955 0.818 CB 1.414 22 residues pruned to eliminate duplicates Z: 26 24.808 1.862 0.609 0.877 0.960 0.760 CB 1.253 26 residues pruned to eliminate duplicates Z: 26 30.990 1.982 0.910 0.929 0.960 0.800 CB 1.194 26 residues pruned to eliminate duplicates Z: 29 32.236 1.893 0.958 0.913 0.964 0.643 CB 1.207 29 residues pruned to eliminate duplicates Z: 15 24.054 1.904 0.741 0.903 1.000 0.714 CB 1.382 15 residues pruned to eliminate duplicates Z: 24 33.392 2.029 0.863 0.929 1.000 0.957 CB 1.289 23 residues pruned to eliminate duplicates Z: 24 25.996 1.971 0.776 0.932 1.000 0.739 CB 1.081 24 residues pruned to eliminate duplicates Z: 18 10.915 1.613 0.281 0.828 0.941 0.706 CB 1.025 18 residues pruned to eliminate duplicates Z: 29 37.002 1.926 0.849 0.898 1.000 0.821 CB 1.404 29 residues pruned to eliminate duplicates Z: 7 9.046 1.825 0.594 0.880 1.000 1.000 CB 0.920 7 residues pruned to eliminate duplicates Z: 28 27.175 1.846 0.608 0.876 1.000 0.778 CB 1.280 26 residues pruned to eliminate duplicates Z: 11 18.998 1.646 0.984 0.879 1.000 0.600 CB 1.334 8 residues pruned to eliminate duplicates Z: 25 15.774 1.595 0.595 0.835 1.000 0.625 CB 0.948 25 residues pruned to eliminate duplicates Z: 19 29.749 1.960 1.023 0.940 1.000 0.944 CB 1.228 19 residues pruned to eliminate duplicates Z: 10 7.819 1.715 0.558 0.718 0.778 0.556 CB 1.030 10 residues pruned to eliminate duplicates Z: 13 15.505 1.886 0.394 0.853 0.833 0.750 CB 1.510 13 residues pruned to eliminate duplicates Z: 26 33.146 1.887 0.969 0.915 1.000 0.600 CB 1.261 28 residues pruned to eliminate duplicates Z: 10 14.796 1.802 0.832 0.892 1.000 0.667 CB 1.073 10 residues pruned to eliminate duplicates Z: 19 25.858 1.834 0.995 0.891 0.944 0.778 CB 1.268 19 residues pruned to eliminate duplicates Z: 18 24.094 1.939 1.008 0.944 1.000 1.000 CB 1.039 18 residues pruned to eliminate duplicates Z: 9 19.663 1.757 1.023 0.885 1.000 0.875 CA 1.413 9 residues pruned to eliminate duplicates Z: 20 25.095 1.931 0.577 0.930 1.000 0.947 CB 1.322 20 residues pruned to eliminate duplicates Z: 15 11.775 1.698 0.217 0.869 0.929 0.786 CB 1.199 15 residues pruned to eliminate duplicates Z: 16 27.037 2.062 0.732 0.892 1.000 0.800 CB 1.404 16 residues pruned to eliminate duplicates Z: 18 24.248 1.983 0.704 0.874 1.000 0.765 CB 1.267 18 residues pruned to eliminate duplicates Z: 25 37.350 2.032 0.920 0.928 1.000 0.833 CB 1.369 25 residues pruned to eliminate duplicates Z: 11 14.747 1.769 0.634 0.892 0.900 0.900 CB 1.288 11 residues pruned to eliminate duplicates Z: 7 7.072 1.668 0.494 0.647 0.833 0.500 CB 1.212 7 residues pruned to eliminate duplicates Z: 23 24.016 1.863 0.811 0.868 0.864 0.636 CB 1.284 23 residues pruned to eliminate duplicates Z: 25 26.414 1.865 0.837 0.913 0.917 0.708 CB 1.216 25 residues pruned to eliminate duplicates Z: 25 38.926 2.009 0.875 0.913 1.000 0.875 CB 1.493 25 residues pruned to eliminate duplicates Z: 20 28.696 1.914 0.843 0.915 1.000 0.947 CB 1.319 20 residues pruned to eliminate duplicates Z: 26 34.205 1.995 0.712 0.912 1.000 0.840 CB 1.418 26 residues pruned to eliminate duplicates Z: 30 19.120 1.708 0.548 0.893 0.931 0.724 CB 1.035 30 residues pruned to eliminate duplicates Z: 15 7.828 1.594 0.517 0.338 0.786 0.429 N 1.314 15 residues pruned to eliminate duplicates Z: 10 11.187 1.902 0.060 0.907 1.000 0.889 CA 1.314 9 residues pruned to eliminate duplicates Z: 27 33.857 2.019 0.831 0.903 0.962 0.769 CB 1.331 27 residues pruned to eliminate duplicates Z: 26 38.525 2.014 1.045 0.901 0.960 0.720 CB 1.391 26 residues pruned to eliminate duplicates Z: 25 33.224 2.001 0.733 0.919 0.958 0.875 CB 1.438 25 residues pruned to eliminate duplicates Z: 20 23.716 1.832 0.679 0.873 1.000 0.684 CB 1.289 20 residues pruned to eliminate duplicates Z: 8 3.855 1.634 0.366 0.270 0.714 0.286 N 1.188 Z: 7 11.861 1.777 0.638 0.869 1.000 1.000 CB 1.215 7 residues pruned to eliminate duplicates Z: 21 28.823 1.911 0.831 0.946 1.000 0.650 CB 1.274 21 residues pruned to eliminate duplicates Z: 18 32.576 1.985 0.807 0.916 1.000 0.941 CB 1.556 17 residues pruned to eliminate duplicates Z: 16 14.631 1.609 0.943 0.848 0.867 0.600 CB 1.034 16 residues pruned to eliminate duplicates Z: 49 29.289 1.886 0.651 0.778 0.917 0.729 CB 1.159 46 residues pruned to eliminate duplicates Z: 25 33.173 1.972 0.697 0.898 1.000 0.833 CB 1.447 25 residues pruned to eliminate duplicates Z: 26 23.449 1.851 0.407 0.877 1.000 0.880 CB 1.308 26 residues pruned to eliminate duplicates Z: 8 9.570 1.775 0.585 0.792 0.714 0.429 CB 1.393 8 residues pruned to eliminate duplicates Z: 9 5.878 1.709 0.037 0.435 1.000 0.625 CB 1.254 Z: 26 24.584 1.932 0.521 0.877 0.960 0.840 CB 1.266 26 residues pruned to eliminate duplicates Z: 19 29.728 1.930 0.889 0.930 0.944 0.889 CB 1.423 19 residues pruned to eliminate duplicates Z: 10 15.382 1.938 0.683 0.896 1.000 0.778 CB 1.126 10 residues pruned to eliminate duplicates Z: 26 23.509 1.876 0.625 0.837 0.920 0.840 CB 1.254 26 residues pruned to eliminate duplicates Z: 23 14.697 1.785 0.575 0.635 0.818 0.545 CB 1.200 23 residues pruned to eliminate duplicates Z: 31 29.330 1.869 0.671 0.874 0.900 0.600 CB 1.387 31 residues pruned to eliminate duplicates Z: 20 20.153 1.836 0.298 0.923 1.000 0.947 CB 1.363 20 residues pruned to eliminate duplicates Z: 12 13.075 1.769 0.646 0.856 0.909 0.636 CB 1.098 12 residues pruned to eliminate duplicates Z: 24 32.323 2.038 0.967 0.956 1.000 0.739 CB 1.155 24 residues pruned to eliminate duplicates Z: 25 30.938 1.988 0.619 0.917 1.000 0.958 CB 1.385 25 residues pruned to eliminate duplicates Z: 10 14.055 1.965 0.363 0.884 1.000 0.667 CB 1.264 10 residues pruned to eliminate duplicates Z: 31 28.044 1.803 0.708 0.874 1.000 0.700 CB 1.210 31 residues pruned to eliminate duplicates Z: 27 30.115 1.866 0.933 0.895 1.000 0.731 CB 1.174 27 residues pruned to eliminate duplicates Z: 6 3.529 1.520 0.500 0.753 1.000 0.600 CB 0.553 Z: 25 25.029 1.809 0.946 0.887 0.958 0.667 CB 1.092 25 residues pruned to eliminate duplicates Z: 25 39.909 2.009 1.051 0.943 1.000 0.833 CB 1.371 25 residues pruned to eliminate duplicates Z: 30 34.585 1.895 0.932 0.901 0.966 0.517 CB 1.296 30 residues pruned to eliminate duplicates Z: 19 14.413 1.585 0.669 0.807 0.833 0.611 CB 1.179 19 residues pruned to eliminate duplicates Z: 10 16.355 1.672 0.979 0.844 1.000 0.556 CB 1.226 10 residues pruned to eliminate duplicates Z: 20 27.902 1.895 0.824 0.906 1.000 0.842 CB 1.317 20 residues pruned to eliminate duplicates Z: 28 15.743 1.607 0.560 0.805 0.889 0.815 CB 1.042 26 residues pruned to eliminate duplicates Z: 30 22.937 1.755 0.784 0.840 0.897 0.517 CB 1.132 30 residues pruned to eliminate duplicates Z: 9 21.623 1.816 1.125 0.912 1.000 0.625 CB 1.404 9 residues pruned to eliminate duplicates Z: 31 26.722 1.767 0.805 0.823 0.900 0.533 CB 1.285 31 residues pruned to eliminate duplicates Z: 13 11.783 1.626 0.284 0.870 0.917 0.750 CB 1.297 13 residues pruned to eliminate duplicates Z: 10 13.054 1.720 0.611 0.858 1.000 0.778 CB 1.157 10 residues pruned to eliminate duplicates Z: 21 29.412 1.855 0.689 0.837 1.000 0.750 CA 1.570 20 residues pruned to eliminate duplicates Z: 28 32.696 1.963 0.616 0.912 1.000 0.926 CB 1.405 28 residues pruned to eliminate duplicates Z: 17 24.746 1.980 0.480 0.897 1.000 0.812 CA 1.511 17 residues pruned to eliminate duplicates Z: 25 27.718 1.905 1.037 0.895 0.958 0.667 CB 1.091 25 residues pruned to eliminate duplicates Z: 27 28.326 1.785 0.741 0.923 1.000 0.500 CB 1.256 27 residues pruned to eliminate duplicates Z: 19 25.866 1.940 0.681 0.939 1.000 0.944 CB 1.300 19 residues pruned to eliminate duplicates Z: 25 46.086 2.033 1.280 0.925 1.000 0.750 CB 1.425 25 residues pruned to eliminate duplicates Z: 26 31.535 1.955 0.663 0.903 1.000 0.840 CB 1.382 26 residues pruned to eliminate duplicates Z: 7 4.662 1.671 0.549 0.474 1.000 0.333 CB 0.755 Z: 65 28.094 1.790 0.568 0.673 0.891 0.656 CB 1.198 76 residues pruned to eliminate duplicates Z: 16 11.475 1.621 0.458 0.804 0.867 0.667 CB 1.110 16 residues pruned to eliminate duplicates Z: 20 25.375 1.945 0.817 0.920 0.947 0.789 CB 1.225 20 residues pruned to eliminate duplicates Z: 76 31.954 1.836 0.526 0.652 0.893 0.720 CB 1.279 77 residues pruned to eliminate duplicates Z: 26 23.473 1.862 0.474 0.881 0.960 0.880 CB 1.291 26 residues pruned to eliminate duplicates Z: 25 28.055 1.841 0.747 0.905 0.958 0.667 CB 1.322 25 residues pruned to eliminate duplicates Z: 10 3.374 1.368 0.272 0.360 0.778 0.667 CB 0.966 Z: 9 12.825 1.598 0.567 0.821 1.000 0.750 CB 1.370 9 residues pruned to eliminate duplicates Z: 43 22.682 1.792 0.579 0.661 0.881 0.571 CB 1.210 43 residues pruned to eliminate duplicates Z: 26 26.197 1.932 0.647 0.932 1.000 0.840 CB 1.150 26 residues pruned to eliminate duplicates Z: 9 10.649 1.725 0.404 0.885 0.875 0.875 CA 1.284 9 residues pruned to eliminate duplicates Z: 12 12.230 1.576 0.810 0.707 1.000 0.455 CB 1.071 12 residues pruned to eliminate duplicates Z: 8 3.573 1.351 0.747 0.296 0.714 0.429 O 1.006 Z: 7 7.330 1.678 0.500 0.761 0.833 0.667 CB 1.131 7 residues pruned to eliminate duplicates Z: 15 15.773 1.804 0.349 0.828 0.929 0.786 CA 1.405 15 residues pruned to eliminate duplicates Z: 7 8.433 1.864 0.659 0.881 1.000 0.833 CB 0.807 7 residues pruned to eliminate duplicates Z: 24 33.173 2.023 0.996 0.938 1.000 0.609 CB 1.192 23 residues pruned to eliminate duplicates Z: 21 17.050 1.640 0.692 0.844 0.950 0.650 CB 1.076 21 residues pruned to eliminate duplicates Z: 28 24.268 1.821 0.621 0.775 0.889 0.741 CB 1.396 28 residues pruned to eliminate duplicates Z: 16 24.871 1.977 0.987 0.924 0.933 0.733 CB 1.230 16 residues pruned to eliminate duplicates Z: 26 14.531 1.610 0.269 0.860 0.920 0.760 CB 1.138 26 residues pruned to eliminate duplicates Z: 12 20.799 1.849 0.821 0.869 0.909 0.818 CB 1.496 12 residues pruned to eliminate duplicates Z: 27 23.739 1.857 0.466 0.887 0.962 0.885 CB 1.283 27 residues pruned to eliminate duplicates Z: 15 12.268 1.941 0.702 0.655 0.929 0.786 CB 0.925 11 residues pruned to eliminate duplicates Z: 8 3.208 1.460 1.067 0.346 0.571 0.429 CB 0.830 Z: 22 23.885 1.862 0.468 0.837 1.000 0.857 CA 1.427 22 residues pruned to eliminate duplicates Z: 24 31.180 2.027 0.683 0.940 1.000 0.870 CB 1.324 24 residues pruned to eliminate duplicates Z: 31 24.683 1.821 0.781 0.768 0.867 0.733 CB 1.264 31 residues pruned to eliminate duplicates Z: 17 24.586 1.858 0.779 0.873 1.000 0.562 CB 1.354 17 residues pruned to eliminate duplicates Z: 18 22.631 1.909 0.428 0.874 0.941 0.941 CA 1.558 18 residues pruned to eliminate duplicates Z: 10 18.049 1.836 0.946 0.816 1.000 0.667 CB 1.280 10 residues pruned to eliminate duplicates Z: 23 31.865 2.049 0.994 0.947 1.000 0.818 CB 1.150 23 residues pruned to eliminate duplicates Z: 27 22.260 1.848 0.454 0.861 0.962 0.846 CB 1.242 27 residues pruned to eliminate duplicates Z: 17 10.699 1.597 0.278 0.832 0.938 0.875 CB 1.050 17 residues pruned to eliminate duplicates Z: 19 28.042 1.926 0.731 0.930 1.000 0.778 CB 1.387 19 residues pruned to eliminate duplicates Z: 8 12.009 1.829 0.481 0.815 1.000 0.571 CB 1.275 8 residues pruned to eliminate duplicates Z: 26 18.616 1.629 0.898 0.813 0.920 0.520 CB 0.997 28 residues pruned to eliminate duplicates Z: 29 27.570 1.903 0.475 0.904 1.000 0.893 CB 1.322 29 residues pruned to eliminate duplicates Z: 16 10.662 1.448 0.521 0.834 0.933 0.600 CB 1.003 16 residues pruned to eliminate duplicates Z: 18 12.228 1.628 0.641 0.866 0.882 0.647 CB 0.921 18 residues pruned to eliminate duplicates Z: 28 26.910 1.830 0.542 0.874 1.000 0.926 CB 1.335 28 residues pruned to eliminate duplicates Z: 20 28.734 1.873 0.964 0.863 0.947 0.632 CB 1.388 20 residues pruned to eliminate duplicates Z: 29 28.755 1.886 0.968 0.768 0.929 0.500 CB 1.243 29 residues pruned to eliminate duplicates Z: 24 33.791 2.037 1.097 0.924 1.000 0.783 CB 1.159 24 residues pruned to eliminate duplicates Z: 15 11.773 1.887 0.459 0.557 1.000 0.714 CB 1.081 15 residues pruned to eliminate duplicates Z: 28 28.875 1.701 0.886 0.806 0.926 0.593 CB 1.432 28 residues pruned to eliminate duplicates Z: 20 13.631 1.554 0.466 0.876 0.947 0.789 CB 1.052 20 residues pruned to eliminate duplicates Z: 6 4.374 1.817 0.473 0.545 0.800 0.800 CB 0.875 7 residues pruned to eliminate duplicates Z: 26 22.597 1.833 0.568 0.827 0.960 0.680 CB 1.234 26 residues pruned to eliminate duplicates Z: 13 16.697 1.763 0.736 0.891 0.917 0.833 CB 1.236 13 residues pruned to eliminate duplicates Z: 28 37.879 1.950 1.072 0.892 0.926 0.556 CB 1.399 29 residues pruned to eliminate duplicates Z: 28 31.622 1.883 0.841 0.858 1.000 0.704 CB 1.293 28 residues pruned to eliminate duplicates Z: 9 12.287 1.720 0.877 0.842 0.875 0.625 CB 1.146 9 residues pruned to eliminate duplicates Z: 43 28.042 1.923 0.515 0.756 0.976 0.810 CB 1.211 43 residues pruned to eliminate duplicates Z: 39 21.723 1.896 0.436 0.662 0.921 0.711 CB 1.210 39 residues pruned to eliminate duplicates Z: 11 19.108 1.585 0.972 0.851 1.000 0.700 CB 1.431 11 residues pruned to eliminate duplicates Z: 25 21.870 1.667 0.768 0.853 1.000 0.625 CB 1.119 26 residues pruned to eliminate duplicates Z: 18 24.627 1.932 0.934 0.908 1.000 0.588 CB 1.135 18 residues pruned to eliminate duplicates Z: 34 25.904 1.805 0.779 0.691 0.939 0.576 CB 1.255 37 residues pruned to eliminate duplicates Z: 6 2.231 1.386 -0.063 0.487 0.800 0.600 CB 0.972 Z: 19 27.110 1.872 0.695 0.885 0.944 0.889 CB 1.540 19 residues pruned to eliminate duplicates Z: 16 29.065 2.119 0.883 0.736 0.933 0.800 CA 1.630 14 residues pruned to eliminate duplicates Z: 26 15.264 1.656 0.615 0.700 0.880 0.720 CB 1.081 26 residues pruned to eliminate duplicates Z: 47 28.817 1.816 0.810 0.696 0.870 0.609 CB 1.242 47 residues pruned to eliminate duplicates Z: 18 20.894 2.043 0.358 0.868 0.941 0.941 CB 1.418 17 residues pruned to eliminate duplicates Z: 114 45.715 1.818 0.826 0.687 0.894 0.646 CB 1.222 114 residues pruned to eliminate duplicates Z: 28 32.056 1.844 0.729 0.919 0.963 0.852 CB 1.417 30 residues pruned to eliminate duplicates Z: 20 26.853 1.834 0.875 0.916 0.947 0.895 CA 1.336 20 residues pruned to eliminate duplicates Z: 104 44.853 1.798 0.827 0.765 0.893 0.660 CB 1.190 104 residues pruned to eliminate duplicates Z: 27 38.697 1.992 1.106 0.922 0.962 0.808 CB 1.323 28 residues pruned to eliminate duplicates Z: 8 7.623 1.564 0.888 0.870 0.857 0.714 CB 0.831 8 residues pruned to eliminate duplicates Z: 30 20.141 1.648 0.615 0.880 0.966 0.690 CB 1.055 30 residues pruned to eliminate duplicates Z: 12 3.920 1.432 0.344 0.341 0.727 0.273 N 1.004 Z: 25 37.618 2.010 1.191 0.902 0.958 0.667 CB 1.298 25 residues pruned to eliminate duplicates Z: 33 21.592 1.939 0.384 0.727 0.938 0.750 CB 1.237 33 residues pruned to eliminate duplicates Z: 19 31.161 1.901 1.033 0.913 0.944 0.667 CB 1.423 20 residues pruned to eliminate duplicates Z: 14 22.144 1.945 0.645 0.887 1.000 0.846 CB 1.384 14 residues pruned to eliminate duplicates Z: 21 27.501 2.026 0.609 0.806 1.000 0.900 CB 1.444 21 residues pruned to eliminate duplicates Z: 9 8.318 1.523 0.524 0.865 1.000 1.000 CB 0.928 9 residues pruned to eliminate duplicates Z: 26 25.594 1.875 0.634 0.881 1.000 0.840 CB 1.209 26 residues pruned to eliminate duplicates 7 1.687 1.472 0.744 0.245 0.333 0.333 N 1.081 ? Z: 24 28.425 1.829 0.895 0.929 1.000 0.783 CB 1.196 24 residues pruned to eliminate duplicates Z: 27 23.336 1.890 0.486 0.898 1.000 0.808 CB 1.165 25 residues pruned to eliminate duplicates Z: 65 32.869 1.848 0.677 0.660 0.906 0.688 CB 1.261 65 residues pruned to eliminate duplicates Z: 7 7.973 1.681 0.607 0.669 0.833 0.833 CB 1.236 7 residues pruned to eliminate duplicates Z: 9 3.062 1.380 0.036 0.556 0.750 0.625 CB 0.957 9 residues pruned to eliminate duplicates Z: 30 30.672 1.874 0.508 0.915 1.000 0.897 CB 1.425 30 residues pruned to eliminate duplicates Z: 20 25.101 1.841 0.919 0.916 0.947 0.789 CB 1.216 20 residues pruned to eliminate duplicates Z: 17 22.156 1.932 0.436 0.854 1.000 0.938 CB 1.474 17 residues pruned to eliminate duplicates Z: 26 31.280 1.833 1.210 0.921 0.960 0.520 CB 1.132 26 residues pruned to eliminate duplicates Z: 9 16.886 2.113 0.646 0.899 1.000 0.875 CB 1.227 9 residues pruned to eliminate duplicates Z: 18 13.504 1.652 0.537 0.865 0.824 0.588 CB 1.148 18 residues pruned to eliminate duplicates Z: 32 33.171 1.866 0.896 0.855 0.903 0.548 CB 1.375 32 residues pruned to eliminate duplicates Z: 50 28.317 1.870 0.667 0.747 0.959 0.694 CB 1.085 50 residues pruned to eliminate duplicates Z: 24 48.813 2.088 1.346 0.954 1.000 0.696 CB 1.429 24 residues pruned to eliminate duplicates Z: 27 28.510 1.986 0.401 0.903 1.000 1.000 CB 1.432 27 residues pruned to eliminate duplicates Z: 26 25.393 1.899 0.654 0.849 0.960 0.560 CB 1.249 26 residues pruned to eliminate duplicates Z: 16 12.854 1.709 0.645 0.854 0.733 0.467 CB 1.189 16 residues pruned to eliminate duplicates Z: 15 15.415 1.688 0.940 0.817 0.857 0.571 CB 1.114 15 residues pruned to eliminate duplicates Z: 6 5.709 1.389 0.621 0.725 0.800 0.800 CB 1.157 361 residues left after pruning, divided into chains as follows: A: 26 B: 14 C: 25 D: 18 E: 29 F: 33 G: 27 H: 189 CC for partial structure against native data = 43.26 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.433, Connect. = 0.692 for dens.mod. cycle 1 = 0.300, Contrast = 0.503, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.612, Connect. = 0.750 for dens.mod. cycle 3 = 0.300, Contrast = 0.625, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.640, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.646, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.652, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.659, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.660, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1227 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 389 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 29.728 2.077 0.702 0.896 1.000 0.467 CB 1.556 B: 16 30.841 2.075 0.870 0.931 1.000 0.733 CB 1.435 16 residues pruned to eliminate duplicates C: 15 22.890 2.140 0.573 0.903 1.000 0.857 CB 1.296 D: 25 39.189 2.098 0.858 0.910 0.958 0.792 CB 1.519 E: 24 30.147 2.004 0.602 0.943 1.000 0.957 CB 1.356 F: 25 34.683 2.099 0.666 0.908 0.958 0.792 CB 1.500 25 residues pruned to eliminate duplicates G: 16 21.941 2.062 0.562 0.898 1.000 0.933 CB 1.259 15 residues pruned to eliminate duplicates H: 23 27.705 2.094 0.474 0.929 0.955 0.909 CB 1.403 23 residues pruned to eliminate duplicates I: 16 25.524 2.066 0.577 0.909 1.000 0.867 CB 1.435 16 residues pruned to eliminate duplicates J: 14 21.908 1.989 0.707 0.828 0.923 0.615 CB 1.461 14 residues pruned to eliminate duplicates K: 25 26.182 2.063 0.350 0.942 1.000 0.958 CB 1.331 25 residues pruned to eliminate duplicates L: 24 41.221 2.120 0.882 0.922 0.957 0.739 CB 1.584 24 residues pruned to eliminate duplicates M: 26 33.134 2.067 0.724 0.904 0.960 0.840 CB 1.380 24 residues pruned to eliminate duplicates N: 23 29.158 2.101 0.522 0.950 0.955 0.909 CB 1.405 23 residues pruned to eliminate duplicates O: 26 29.787 1.958 0.811 0.897 0.880 0.760 CB 1.367 P: 25 36.244 2.073 0.907 0.897 1.000 0.833 CB 1.340 26 residues pruned to eliminate duplicates Q: 15 23.735 2.121 1.021 0.910 0.929 0.500 CB 1.130 15 residues pruned to eliminate duplicates R: 16 20.655 2.125 0.419 0.905 0.867 0.867 CB 1.453 16 residues pruned to eliminate duplicates S: 24 41.773 2.159 0.739 0.923 1.000 0.870 CB 1.630 25 residues pruned to eliminate duplicates T: 16 25.685 2.141 0.700 0.912 0.933 0.667 CB 1.383 15 residues pruned to eliminate duplicates U: 26 37.856 2.062 0.776 0.882 0.960 0.720 CB 1.558 26 residues pruned to eliminate duplicates V: 16 22.073 1.884 0.760 0.880 0.867 0.867 CB 1.437 W: 20 26.754 1.966 0.637 0.901 0.947 0.789 CB 1.436 16 residues pruned to eliminate duplicates X: 16 27.431 2.067 0.610 0.905 1.000 0.800 CB 1.515 16 residues pruned to eliminate duplicates Y: 27 27.838 1.927 0.622 0.887 0.923 0.731 CB 1.364 27 residues pruned to eliminate duplicates Z: 12 17.835 2.053 0.207 0.941 1.000 1.000 CB 1.506 Z: 29 37.131 1.969 0.965 0.893 0.964 0.643 CB 1.351 Z: 17 31.565 2.085 0.916 0.895 1.000 0.812 CB 1.416 17 residues pruned to eliminate duplicates Z: 25 41.261 2.126 0.894 0.933 0.958 0.875 CB 1.523 25 residues pruned to eliminate duplicates Z: 20 28.689 2.050 0.623 0.901 1.000 0.789 CB 1.412 20 residues pruned to eliminate duplicates Z: 14 19.169 1.864 0.761 0.788 0.846 0.538 CB 1.486 Z: 26 27.279 1.976 0.401 0.879 0.960 0.840 CB 1.490 26 residues pruned to eliminate duplicates Z: 26 37.873 2.078 0.877 0.899 0.920 0.720 CB 1.509 26 residues pruned to eliminate duplicates Z: 16 24.508 2.089 0.433 0.878 1.000 0.933 CB 1.533 16 residues pruned to eliminate duplicates Z: 27 29.337 1.886 0.804 0.883 0.885 0.654 CB 1.383 19 residues pruned to eliminate duplicates Z: 26 43.514 2.091 1.076 0.911 1.000 0.720 CB 1.421 29 residues pruned to eliminate duplicates Z: 26 33.576 2.028 0.627 0.874 1.000 0.800 CB 1.481 25 residues pruned to eliminate duplicates Z: 27 38.627 2.062 0.765 0.913 1.000 0.923 CB 1.473 27 residues pruned to eliminate duplicates Z: 26 29.939 1.951 0.609 0.899 0.960 0.720 CB 1.420 26 residues pruned to eliminate duplicates Z: 17 24.633 2.058 0.533 0.902 0.875 0.750 CB 1.592 17 residues pruned to eliminate duplicates Z: 22 20.908 1.794 0.679 0.832 0.952 0.619 CB 1.194 Z: 15 28.565 2.128 0.865 0.916 0.929 0.857 CB 1.463 15 residues pruned to eliminate duplicates Z: 15 26.453 2.106 0.912 0.917 0.929 0.786 CB 1.334 15 residues pruned to eliminate duplicates Z: 25 46.866 2.131 1.089 0.938 0.958 0.833 CB 1.559 25 residues pruned to eliminate duplicates Z: 20 27.843 1.940 0.938 0.919 1.000 0.737 CB 1.197 Z: 25 38.344 2.084 0.770 0.933 0.958 0.833 CB 1.545 24 residues pruned to eliminate duplicates Z: 17 21.411 1.955 0.434 0.868 1.000 0.875 CB 1.395 13 residues pruned to eliminate duplicates Z: 17 21.304 1.939 0.358 0.892 1.000 0.750 CB 1.453 16 residues pruned to eliminate duplicates Z: 13 20.074 1.910 0.629 0.879 0.917 0.750 CB 1.473 13 residues pruned to eliminate duplicates Z: 15 27.415 2.099 0.828 0.890 0.929 0.714 CB 1.480 15 residues pruned to eliminate duplicates Z: 24 27.168 2.004 0.567 0.941 1.000 1.000 CB 1.253 24 residues pruned to eliminate duplicates Z: 25 45.396 2.115 0.931 0.936 1.000 0.917 CB 1.580 25 residues pruned to eliminate duplicates Z: 25 28.732 2.031 0.397 0.929 1.000 0.917 CB 1.447 25 residues pruned to eliminate duplicates Z: 26 45.679 2.071 1.101 0.951 0.960 0.800 CB 1.508 25 residues pruned to eliminate duplicates Z: 16 24.949 1.938 0.865 0.885 1.000 0.467 CB 1.287 17 residues pruned to eliminate duplicates Z: 25 38.129 2.096 0.694 0.912 1.000 0.833 CB 1.553 25 residues pruned to eliminate duplicates Z: 16 29.040 2.090 0.551 0.925 1.000 1.000 CB 1.623 16 residues pruned to eliminate duplicates Z: 19 25.277 1.955 0.559 0.920 1.000 0.833 CB 1.376 22 residues pruned to eliminate duplicates Z: 24 38.666 2.075 1.024 0.900 1.000 0.565 CB 1.372 25 residues pruned to eliminate duplicates Z: 26 39.786 2.074 0.755 0.909 1.000 0.800 CB 1.552 26 residues pruned to eliminate duplicates Z: 13 24.307 1.991 0.723 0.909 0.917 0.833 CB 1.584 14 residues pruned to eliminate duplicates Z: 26 30.932 1.930 0.793 0.883 0.960 0.560 CB 1.346 26 residues pruned to eliminate duplicates Z: 26 29.689 1.937 0.628 0.907 0.960 0.680 CB 1.394 26 residues pruned to eliminate duplicates Z: 27 40.879 2.099 0.795 0.928 1.000 0.962 CB 1.490 27 residues pruned to eliminate duplicates Z: 16 13.038 1.744 0.385 0.709 0.867 0.600 CB 1.329 Z: 17 25.110 2.079 0.593 0.882 1.000 0.812 CB 1.372 17 residues pruned to eliminate duplicates Z: 24 42.702 2.100 1.036 0.944 0.913 0.739 CB 1.579 24 residues pruned to eliminate duplicates Z: 24 22.550 2.044 0.232 0.926 1.000 0.913 CB 1.310 24 residues pruned to eliminate duplicates Z: 16 19.755 2.019 0.212 0.923 1.000 1.000 CA 1.464 16 residues pruned to eliminate duplicates Z: 25 27.650 2.004 0.454 0.927 1.000 0.958 CB 1.358 25 residues pruned to eliminate duplicates Z: 13 24.551 2.036 0.637 0.872 1.000 0.833 CA 1.549 13 residues pruned to eliminate duplicates Z: 27 35.474 2.021 0.950 0.901 1.000 0.692 CB 1.260 24 residues pruned to eliminate duplicates Z: 19 25.614 1.972 0.797 0.941 0.944 0.722 CB 1.252 19 residues pruned to eliminate duplicates Z: 17 23.051 2.020 0.317 0.880 1.000 0.938 CB 1.569 17 residues pruned to eliminate duplicates Z: 20 26.363 1.976 0.462 0.931 1.000 1.000 CB 1.463 20 residues pruned to eliminate duplicates Z: 21 23.856 1.871 0.647 0.859 1.000 0.750 CB 1.274 21 residues pruned to eliminate duplicates Z: 14 16.282 1.946 0.447 0.830 0.769 0.769 CA 1.568 14 residues pruned to eliminate duplicates Z: 17 17.750 1.926 0.399 0.845 0.938 0.875 CB 1.307 17 residues pruned to eliminate duplicates Z: 26 36.527 2.094 0.645 0.906 1.000 0.840 CB 1.508 26 residues pruned to eliminate duplicates Z: 16 25.288 1.993 0.512 0.931 1.000 0.933 CA 1.514 16 residues pruned to eliminate duplicates Z: 7 8.730 1.943 0.493 0.881 1.000 0.667 CB 0.890 7 residues pruned to eliminate duplicates Z: 27 27.038 1.944 0.493 0.850 0.962 0.731 CB 1.407 27 residues pruned to eliminate duplicates Z: 18 33.337 1.945 0.922 0.915 1.000 0.706 CB 1.529 18 residues pruned to eliminate duplicates Z: 29 30.320 1.991 0.457 0.905 1.000 0.929 CB 1.406 29 residues pruned to eliminate duplicates Z: 19 22.938 1.912 0.692 0.939 1.000 0.778 CB 1.161 19 residues pruned to eliminate duplicates Z: 20 27.969 1.987 0.641 0.924 1.000 0.947 CB 1.382 20 residues pruned to eliminate duplicates Z: 20 21.636 1.809 0.868 0.889 0.947 0.632 CB 1.116 20 residues pruned to eliminate duplicates Z: 14 20.895 1.940 0.392 0.887 1.000 0.923 CA 1.547 13 residues pruned to eliminate duplicates Z: 21 22.634 1.798 0.420 0.885 1.000 0.900 CA 1.432 16 residues pruned to eliminate duplicates Z: 26 34.036 2.062 0.675 0.871 1.000 0.800 CB 1.437 26 residues pruned to eliminate duplicates Z: 17 28.307 1.998 0.773 0.919 1.000 0.812 CB 1.407 17 residues pruned to eliminate duplicates Z: 16 26.985 1.942 0.717 0.910 1.000 0.733 CA 1.481 16 residues pruned to eliminate duplicates Z: 27 34.596 2.071 0.719 0.884 1.000 0.885 CB 1.378 27 residues pruned to eliminate duplicates Z: 17 28.500 2.004 0.925 0.901 0.938 0.688 CB 1.405 16 residues pruned to eliminate duplicates Z: 29 38.093 1.998 0.778 0.912 1.000 0.893 CB 1.435 29 residues pruned to eliminate duplicates Z: 13 15.181 1.616 0.454 0.837 1.000 0.917 CA 1.396 Z: 20 27.582 1.993 0.784 0.919 0.947 0.737 CB 1.325 20 residues pruned to eliminate duplicates Z: 8 6.519 1.714 0.690 0.786 0.714 0.571 CB 0.926 Z: 19 16.731 1.759 0.324 0.869 1.000 0.833 CB 1.237 18 residues pruned to eliminate duplicates Z: 15 22.908 2.033 0.414 0.891 1.000 0.857 CB 1.532 15 residues pruned to eliminate duplicates Z: 26 30.343 1.932 0.651 0.867 1.000 0.640 CB 1.392 26 residues pruned to eliminate duplicates Z: 16 31.652 2.026 1.133 0.890 1.000 0.733 CB 1.360 17 residues pruned to eliminate duplicates Z: 26 20.844 1.763 0.555 0.878 1.000 0.680 CB 1.103 Z: 16 32.048 2.067 1.103 0.931 0.933 0.667 CB 1.425 16 residues pruned to eliminate duplicates Z: 25 21.128 1.756 0.507 0.873 1.000 0.875 CB 1.187 25 residues pruned to eliminate duplicates Z: 27 42.455 2.103 0.940 0.916 1.000 0.769 CB 1.441 27 residues pruned to eliminate duplicates Z: 26 21.831 1.767 0.498 0.912 1.000 0.920 CB 1.169 26 residues pruned to eliminate duplicates Z: 13 17.084 1.794 0.832 0.919 1.000 0.583 CB 1.058 Z: 26 25.796 1.878 0.528 0.825 0.880 0.640 CB 1.542 26 residues pruned to eliminate duplicates Z: 16 21.208 2.109 0.731 0.861 0.933 0.867 CB 1.181 16 residues pruned to eliminate duplicates Z: 27 30.583 1.910 0.533 0.898 1.000 0.923 CB 1.465 27 residues pruned to eliminate duplicates Z: 19 24.075 1.869 0.801 0.891 0.944 0.889 CB 1.283 19 residues pruned to eliminate duplicates Z: 27 31.562 2.039 0.484 0.898 1.000 0.962 CA 1.463 27 residues pruned to eliminate duplicates Z: 27 29.336 1.929 0.540 0.897 1.000 0.962 CB 1.387 27 residues pruned to eliminate duplicates Z: 19 24.410 1.991 0.445 0.878 1.000 0.833 CB 1.452 19 residues pruned to eliminate duplicates Z: 25 27.305 1.968 0.448 0.903 0.958 0.875 CB 1.455 25 residues pruned to eliminate duplicates Z: 16 25.007 2.014 0.577 0.887 1.000 0.733 CB 1.465 16 residues pruned to eliminate duplicates Z: 27 41.929 2.096 0.981 0.925 1.000 0.846 CB 1.390 27 residues pruned to eliminate duplicates Z: 23 34.118 2.100 0.858 0.929 1.000 0.773 CB 1.305 23 residues pruned to eliminate duplicates Z: 27 37.099 2.062 0.867 0.919 0.962 0.885 CB 1.386 27 residues pruned to eliminate duplicates Z: 26 22.687 1.728 0.578 0.871 0.960 0.760 CB 1.264 8 residues pruned to eliminate duplicates Z: 29 20.473 1.692 0.381 0.869 1.000 0.750 CB 1.210 28 residues pruned to eliminate duplicates Z: 20 18.926 1.850 0.401 0.901 0.947 0.895 CB 1.263 20 residues pruned to eliminate duplicates Z: 10 17.002 2.010 0.238 0.881 1.000 0.889 CA 1.649 10 residues pruned to eliminate duplicates Z: 25 28.428 2.091 0.641 0.879 0.917 0.875 CB 1.337 25 residues pruned to eliminate duplicates Z: 11 14.033 1.808 0.722 0.907 0.900 0.400 CB 1.126 11 residues pruned to eliminate duplicates Z: 25 35.996 2.051 0.974 0.855 1.000 0.708 CB 1.339 25 residues pruned to eliminate duplicates Z: 13 25.688 2.011 0.613 0.931 1.000 0.917 CB 1.598 14 residues pruned to eliminate duplicates Z: 24 30.921 2.069 0.488 0.889 0.957 0.870 CB 1.576 24 residues pruned to eliminate duplicates Z: 27 44.141 2.088 1.086 0.936 1.000 0.885 CB 1.384 27 residues pruned to eliminate duplicates Z: 26 31.395 2.038 0.848 0.854 0.960 0.680 CB 1.283 26 residues pruned to eliminate duplicates Z: 26 31.155 2.022 0.518 0.916 1.000 0.960 CB 1.433 26 residues pruned to eliminate duplicates Z: 26 32.421 2.046 0.502 0.879 0.960 0.800 CB 1.594 26 residues pruned to eliminate duplicates Z: 20 23.965 1.821 0.757 0.872 1.000 0.842 CB 1.253 19 residues pruned to eliminate duplicates Z: 27 30.467 1.911 0.776 0.904 0.962 0.462 CB 1.304 27 residues pruned to eliminate duplicates Z: 10 12.767 1.952 0.249 0.903 1.000 0.889 CA 1.244 10 residues pruned to eliminate duplicates Z: 50 30.066 1.974 0.519 0.735 0.898 0.694 CB 1.291 44 residues pruned to eliminate duplicates Z: 13 11.944 1.729 0.443 0.834 0.917 0.750 CB 1.130 13 residues pruned to eliminate duplicates Z: 28 21.499 1.766 0.598 0.883 0.963 0.741 CB 1.101 28 residues pruned to eliminate duplicates Z: 25 45.908 2.143 1.050 0.944 0.958 0.708 CB 1.542 25 residues pruned to eliminate duplicates Z: 20 25.237 1.925 0.508 0.930 1.000 0.842 CB 1.395 20 residues pruned to eliminate duplicates Z: 28 33.293 1.859 0.849 0.913 0.926 0.778 CB 1.425 27 residues pruned to eliminate duplicates Z: 20 30.178 1.992 0.700 0.941 1.000 0.947 CB 1.419 20 residues pruned to eliminate duplicates Z: 27 35.078 2.058 0.664 0.919 1.000 0.846 CB 1.416 27 residues pruned to eliminate duplicates Z: 6 12.271 1.966 0.396 0.874 1.000 0.800 CB 1.456 6 residues pruned to eliminate duplicates Z: 7 5.299 1.584 0.460 0.598 0.667 0.500 O 1.277 Z: 17 31.500 2.065 0.880 0.910 1.000 0.688 CB 1.439 17 residues pruned to eliminate duplicates Z: 14 21.150 1.958 0.894 0.866 0.923 0.538 CB 1.254 14 residues pruned to eliminate duplicates Z: 19 20.620 1.958 0.302 0.939 1.000 0.944 CB 1.325 19 residues pruned to eliminate duplicates Z: 20 24.853 1.916 0.484 0.923 1.000 0.842 CB 1.409 20 residues pruned to eliminate duplicates Z: 25 48.678 2.119 1.259 0.948 0.958 0.708 CB 1.496 26 residues pruned to eliminate duplicates Z: 12 12.666 1.770 0.551 0.874 0.909 0.636 CB 1.113 12 residues pruned to eliminate duplicates Z: 27 27.668 1.906 0.602 0.866 0.962 0.769 CB 1.353 27 residues pruned to eliminate duplicates Z: 26 18.318 1.744 0.410 0.882 0.960 0.800 CB 1.123 26 residues pruned to eliminate duplicates Z: 27 32.653 2.050 0.560 0.924 1.000 0.923 CB 1.406 27 residues pruned to eliminate duplicates Z: 13 17.335 1.940 0.462 0.885 0.917 0.750 CA 1.390 13 residues pruned to eliminate duplicates Z: 23 29.238 1.921 0.629 0.884 1.000 0.727 CA 1.440 23 residues pruned to eliminate duplicates Z: 9 15.538 2.061 0.449 0.898 1.000 0.625 CB 1.316 15 residues pruned to eliminate duplicates Z: 14 20.295 1.997 0.612 0.894 0.923 0.692 CB 1.358 14 residues pruned to eliminate duplicates Z: 10 12.847 1.869 0.787 0.893 0.889 0.444 CB 1.036 10 residues pruned to eliminate duplicates Z: 19 23.373 1.940 0.434 0.908 1.000 0.889 CB 1.406 19 residues pruned to eliminate duplicates Z: 13 16.321 1.916 0.380 0.874 0.917 0.833 CA 1.415 13 residues pruned to eliminate duplicates Z: 20 26.514 1.913 0.552 0.935 1.000 0.947 CB 1.427 20 residues pruned to eliminate duplicates Z: 15 24.817 2.013 0.984 0.900 0.929 0.571 CB 1.277 16 residues pruned to eliminate duplicates Z: 25 36.643 2.082 0.726 0.923 0.958 0.875 CB 1.526 25 residues pruned to eliminate duplicates Z: 26 33.473 2.048 0.828 0.872 0.960 0.800 CB 1.357 26 residues pruned to eliminate duplicates Z: 19 17.671 1.830 0.523 0.854 0.944 0.833 CB 1.169 19 residues pruned to eliminate duplicates Z: 10 17.798 1.714 0.800 0.902 1.000 0.778 CB 1.372 12 residues pruned to eliminate duplicates Z: 20 25.671 1.929 0.544 0.914 0.947 0.895 CB 1.476 20 residues pruned to eliminate duplicates Z: 29 35.636 1.981 0.843 0.889 0.964 0.821 CB 1.377 29 residues pruned to eliminate duplicates Z: 25 33.420 2.065 0.936 0.898 1.000 0.625 CB 1.221 25 residues pruned to eliminate duplicates Z: 9 13.480 2.029 0.106 0.882 1.000 1.000 CA 1.537 9 residues pruned to eliminate duplicates Z: 12 14.151 1.790 0.660 0.896 1.000 0.545 CB 1.029 12 residues pruned to eliminate duplicates Z: 30 35.840 1.844 0.797 0.859 0.966 0.586 CB 1.530 30 residues pruned to eliminate duplicates Z: 15 32.834 2.021 1.008 0.871 1.000 0.500 CB 1.577 15 residues pruned to eliminate duplicates Z: 29 17.407 1.685 0.659 0.748 0.929 0.643 CB 1.015 14 residues pruned to eliminate duplicates Z: 8 13.487 1.858 0.504 0.883 1.000 1.000 CB 1.320 8 residues pruned to eliminate duplicates Z: 16 24.192 1.877 0.690 0.913 1.000 0.933 CB 1.394 16 residues pruned to eliminate duplicates Z: 17 24.242 2.040 0.432 0.883 1.000 0.812 CA 1.500 17 residues pruned to eliminate duplicates Z: 30 25.395 1.887 0.818 0.884 0.897 0.517 CB 1.108 35 residues pruned to eliminate duplicates Z: 7 8.635 1.746 0.674 0.861 1.000 0.833 CB 0.886 Z: 23 34.052 2.059 0.881 0.929 1.000 0.773 CB 1.312 23 residues pruned to eliminate duplicates Z: 10 10.953 1.817 0.647 0.899 0.889 0.667 CB 0.981 10 residues pruned to eliminate duplicates Z: 19 27.901 2.023 0.506 0.930 1.000 1.000 CB 1.510 19 residues pruned to eliminate duplicates Z: 32 33.301 1.960 0.887 0.847 0.903 0.613 CB 1.329 33 residues pruned to eliminate duplicates Z: 27 16.374 1.755 0.409 0.871 0.885 0.731 CB 1.071 27 residues pruned to eliminate duplicates Z: 19 21.909 1.928 0.438 0.905 1.000 0.944 CB 1.326 19 residues pruned to eliminate duplicates Z: 27 36.165 2.065 0.651 0.898 1.000 0.962 CB 1.489 27 residues pruned to eliminate duplicates Z: 28 39.072 1.912 0.861 0.936 1.000 0.704 CB 1.472 29 residues pruned to eliminate duplicates Z: 8 10.796 1.694 0.539 0.867 1.000 1.000 CB 1.145 8 residues pruned to eliminate duplicates Z: 27 29.338 1.887 0.566 0.893 1.000 0.885 CB 1.398 27 residues pruned to eliminate duplicates Z: 14 13.990 1.616 0.628 0.716 1.000 0.538 CB 1.212 11 residues pruned to eliminate duplicates Z: 11 11.923 1.654 0.371 0.872 1.000 1.000 CB 1.213 11 residues pruned to eliminate duplicates Z: 15 22.052 1.965 0.939 0.876 0.857 0.429 CB 1.313 15 residues pruned to eliminate duplicates Z: 13 17.352 1.938 0.427 0.823 0.917 0.750 CA 1.492 13 residues pruned to eliminate duplicates Z: 26 30.971 2.030 0.484 0.912 0.960 0.880 CB 1.518 26 residues pruned to eliminate duplicates Z: 19 10.809 1.769 0.259 0.535 0.889 0.611 CB 1.243 14 residues pruned to eliminate duplicates Z: 40 20.381 1.853 0.306 0.592 0.949 0.821 CB 1.302 40 residues pruned to eliminate duplicates Z: 24 20.554 1.964 0.469 0.682 0.826 0.783 CB 1.521 24 residues pruned to eliminate duplicates Z: 6 4.831 1.852 0.481 0.791 0.800 0.800 CB 0.763 6 residues pruned to eliminate duplicates Z: 24 18.755 1.773 0.583 0.732 0.957 0.739 CB 1.182 24 residues pruned to eliminate duplicates Z: 32 31.409 1.881 0.740 0.876 0.935 0.774 CB 1.339 34 residues pruned to eliminate duplicates Z: 19 22.541 1.835 0.768 0.886 1.000 0.722 CB 1.181 19 residues pruned to eliminate duplicates Z: 25 31.904 2.091 0.799 0.903 0.958 0.833 CB 1.288 25 residues pruned to eliminate duplicates Z: 19 31.705 2.037 0.872 0.948 1.000 0.889 CB 1.354 19 residues pruned to eliminate duplicates Z: 32 23.820 1.911 0.597 0.708 0.903 0.613 CB 1.284 18 residues pruned to eliminate duplicates Z: 15 15.023 1.940 0.677 0.861 0.929 0.571 CB 0.976 15 residues pruned to eliminate duplicates Z: 26 29.543 1.934 0.571 0.875 1.000 0.880 CB 1.414 26 residues pruned to eliminate duplicates Z: 27 20.369 1.767 0.514 0.870 0.962 0.692 CB 1.133 27 residues pruned to eliminate duplicates Z: 9 9.992 1.689 0.638 0.850 1.000 0.750 CB 0.946 9 residues pruned to eliminate duplicates Z: 6 5.683 1.423 0.441 0.755 1.000 0.600 C 0.988 Z: 25 20.280 1.782 0.608 0.869 0.917 0.708 CB 1.151 25 residues pruned to eliminate duplicates Z: 7 10.255 1.762 0.589 0.856 1.000 1.000 CB 1.103 7 residues pruned to eliminate duplicates Z: 9 9.941 2.003 0.213 0.912 0.875 0.875 CB 1.171 9 residues pruned to eliminate duplicates Z: 30 24.358 1.823 0.712 0.862 0.931 0.586 CB 1.143 30 residues pruned to eliminate duplicates Z: 31 31.339 1.851 1.131 0.875 0.967 0.667 CB 1.092 31 residues pruned to eliminate duplicates Z: 26 42.012 2.050 0.913 0.926 1.000 0.720 CB 1.502 26 residues pruned to eliminate duplicates Z: 11 10.490 1.638 0.246 0.869 1.000 0.800 CA 1.187 11 residues pruned to eliminate duplicates Z: 15 25.202 2.113 0.901 0.932 0.929 0.786 CB 1.261 15 residues pruned to eliminate duplicates Z: 24 51.724 2.142 1.162 0.957 1.000 0.826 CB 1.598 24 residues pruned to eliminate duplicates Z: 23 48.449 2.171 1.073 0.934 1.000 0.636 CB 1.600 23 residues pruned to eliminate duplicates Z: 26 31.823 1.987 0.876 0.897 0.960 0.800 CB 1.273 26 residues pruned to eliminate duplicates Z: 9 8.424 1.563 0.223 0.909 1.000 1.000 CB 1.105 9 residues pruned to eliminate duplicates Z: 24 23.756 1.882 0.857 0.872 0.870 0.565 CB 1.188 24 residues pruned to eliminate duplicates Z: 10 12.986 1.913 0.229 0.892 1.000 0.889 CB 1.323 10 residues pruned to eliminate duplicates Z: 26 21.520 1.794 0.873 0.857 0.920 0.480 CB 1.026 26 residues pruned to eliminate duplicates Z: 37 35.856 1.965 0.889 0.790 0.889 0.667 CB 1.404 35 residues pruned to eliminate duplicates Z: 25 37.273 1.925 0.971 0.936 1.000 0.750 CB 1.397 25 residues pruned to eliminate duplicates Z: 27 33.009 1.887 0.763 0.923 1.000 0.731 CB 1.368 27 residues pruned to eliminate duplicates Z: 25 31.616 2.081 0.618 0.866 1.000 0.833 CB 1.403 25 residues pruned to eliminate duplicates Z: 27 15.304 1.653 0.700 0.587 0.808 0.423 CB 1.217 27 residues pruned to eliminate duplicates Z: 28 19.906 1.762 0.477 0.873 1.000 0.741 CB 1.072 28 residues pruned to eliminate duplicates Z: 22 27.782 1.888 0.904 0.868 0.905 0.571 CB 1.363 22 residues pruned to eliminate duplicates Z: 29 26.220 1.838 0.410 0.872 0.964 0.893 CB 1.446 29 residues pruned to eliminate duplicates Z: 9 2.911 1.496 0.496 0.398 0.750 0.500 CB 0.683 Z: 7 5.420 1.575 0.923 0.323 0.833 0.500 CB 1.065 Z: 8 5.310 1.644 0.406 0.791 1.000 0.571 CB 0.673 8 residues pruned to eliminate duplicates Z: 9 15.907 1.835 0.846 0.898 0.875 0.625 CB 1.357 13 residues pruned to eliminate duplicates Z: 35 23.940 1.759 0.790 0.723 0.853 0.529 CB 1.250 35 residues pruned to eliminate duplicates Z: 7 8.820 1.675 0.460 0.814 1.000 0.667 CB 1.121 7 residues pruned to eliminate duplicates Z: 26 27.387 1.911 0.413 0.893 1.000 0.960 CB 1.456 26 residues pruned to eliminate duplicates Z: 14 13.940 1.606 0.502 0.768 1.000 0.538 CB 1.264 14 residues pruned to eliminate duplicates Z: 13 10.747 1.611 0.378 0.783 0.917 0.833 CB 1.188 13 residues pruned to eliminate duplicates Z: 25 30.604 1.862 0.640 0.899 0.958 0.833 CB 1.525 25 residues pruned to eliminate duplicates Z: 16 24.801 1.899 0.945 0.891 0.933 0.733 CB 1.335 16 residues pruned to eliminate duplicates Z: 29 33.872 1.871 0.760 0.888 0.964 0.750 CB 1.452 43 residues pruned to eliminate duplicates Z: 26 16.762 1.643 0.395 0.873 0.960 0.680 CB 1.110 26 residues pruned to eliminate duplicates Z: 50 35.965 1.903 0.709 0.798 0.939 0.776 CB 1.297 49 residues pruned to eliminate duplicates Z: 14 17.596 1.942 0.476 0.925 1.000 0.846 CB 1.195 14 residues pruned to eliminate duplicates Z: 25 46.756 2.100 1.109 0.930 1.000 0.583 CB 1.507 25 residues pruned to eliminate duplicates Z: 8 9.546 1.759 0.294 0.874 1.000 1.000 CB 1.154 8 residues pruned to eliminate duplicates Z: 16 19.855 2.047 0.376 0.872 0.933 0.800 CB 1.422 16 residues pruned to eliminate duplicates Z: 26 41.015 2.115 0.796 0.873 1.000 0.800 CB 1.572 26 residues pruned to eliminate duplicates Z: 12 15.942 1.777 0.497 0.907 1.000 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 9 13.374 1.885 0.320 0.889 1.000 0.750 CB 1.368 9 residues pruned to eliminate duplicates Z: 16 28.497 2.035 0.881 0.894 0.933 0.533 CB 1.478 16 residues pruned to eliminate duplicates Z: 27 26.802 1.875 0.578 0.883 0.962 0.769 CB 1.337 27 residues pruned to eliminate duplicates Z: 26 14.135 1.660 0.422 0.710 0.880 0.600 CB 1.125 26 residues pruned to eliminate duplicates Z: 17 28.147 2.010 0.583 0.930 1.000 1.000 CB 1.546 17 residues pruned to eliminate duplicates Z: 27 21.592 1.751 0.581 0.877 0.923 0.885 CB 1.203 27 residues pruned to eliminate duplicates Z: 6 3.170 1.601 0.578 0.296 0.600 0.400 CB 1.175 Z: 26 19.556 1.761 0.389 0.860 1.000 0.760 CB 1.176 26 residues pruned to eliminate duplicates Z: 17 28.284 1.944 1.089 0.904 0.938 0.500 CB 1.322 17 residues pruned to eliminate duplicates Z: 29 26.728 1.987 0.633 0.748 0.893 0.821 CB 1.397 29 residues pruned to eliminate duplicates Z: 25 26.797 1.932 0.719 0.867 1.000 0.458 CB 1.205 25 residues pruned to eliminate duplicates Z: 53 31.310 1.846 0.763 0.689 0.923 0.635 CB 1.215 53 residues pruned to eliminate duplicates Z: 26 35.252 1.889 0.788 0.927 1.000 0.760 CB 1.463 26 residues pruned to eliminate duplicates Z: 9 8.631 1.715 0.581 0.787 0.750 0.625 CB 1.166 9 residues pruned to eliminate duplicates Z: 18 18.579 1.857 0.912 0.906 0.882 0.353 CB 1.023 18 residues pruned to eliminate duplicates Z: 8 2.968 1.394 0.722 0.413 0.571 0.429 CB 0.896 Z: 23 15.681 1.793 0.420 0.662 0.909 0.591 CB 1.243 23 residues pruned to eliminate duplicates Z: 7 7.388 1.676 0.472 0.817 0.833 0.833 CB 1.114 7 residues pruned to eliminate duplicates Z: 15 13.645 1.681 0.936 0.821 0.857 0.643 CB 0.990 15 residues pruned to eliminate duplicates Z: 24 45.173 2.099 1.256 0.925 0.957 0.609 CB 1.459 24 residues pruned to eliminate duplicates Z: 34 24.828 1.722 0.759 0.645 0.970 0.576 CB 1.286 28 residues pruned to eliminate duplicates Z: 15 13.052 1.921 0.291 0.650 0.786 0.714 CB 1.557 15 residues pruned to eliminate duplicates Z: 25 20.521 1.786 0.370 0.900 1.000 0.667 CB 1.223 25 residues pruned to eliminate duplicates Z: 25 14.412 1.636 0.251 0.864 0.958 0.750 CB 1.100 25 residues pruned to eliminate duplicates Z: 7 10.773 1.951 0.453 0.828 0.833 0.667 CB 1.402 7 residues pruned to eliminate duplicates Z: 25 19.494 1.798 0.486 0.890 0.875 0.750 CB 1.225 25 residues pruned to eliminate duplicates Z: 28 35.605 1.924 0.789 0.911 0.926 0.778 CB 1.523 28 residues pruned to eliminate duplicates Z: 10 9.078 1.603 0.575 0.850 0.889 0.222 CB 0.999 10 residues pruned to eliminate duplicates Z: 13 15.291 1.750 0.532 0.920 1.000 0.917 CB 1.160 13 residues pruned to eliminate duplicates Z: 14 11.056 1.757 0.717 0.737 1.000 0.615 CB 0.822 14 residues pruned to eliminate duplicates Z: 31 26.734 1.868 0.648 0.808 0.933 0.867 CB 1.298 31 residues pruned to eliminate duplicates Z: 10 5.066 1.332 0.826 0.411 0.778 0.556 C 0.980 Z: 26 18.766 1.759 0.527 0.709 0.960 0.560 CB 1.203 26 residues pruned to eliminate duplicates Z: 26 30.591 2.056 0.578 0.864 1.000 0.840 CB 1.383 26 residues pruned to eliminate duplicates Z: 13 13.168 1.652 0.393 0.772 1.000 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 16 31.512 2.240 0.887 0.700 0.933 0.800 CA 1.719 16 residues pruned to eliminate duplicates Z: 29 24.160 1.847 0.834 0.852 0.964 0.536 CB 1.034 29 residues pruned to eliminate duplicates Z: 9 12.110 1.791 0.863 0.908 1.000 0.625 CB 0.911 9 residues pruned to eliminate duplicates Z: 17 17.335 1.742 0.511 0.898 0.938 0.688 CB 1.256 17 residues pruned to eliminate duplicates Z: 9 20.931 2.026 0.853 0.828 1.000 0.750 CA 1.484 9 residues pruned to eliminate duplicates Z: 16 17.978 1.767 0.433 0.877 0.933 0.667 CB 1.427 16 residues pruned to eliminate duplicates Z: 21 21.224 1.819 0.388 0.884 1.000 0.900 CB 1.358 21 residues pruned to eliminate duplicates Z: 9 7.656 1.617 0.250 0.870 1.000 0.875 CB 0.978 9 residues pruned to eliminate duplicates Z: 26 20.565 1.748 0.555 0.886 1.000 0.760 CB 1.092 26 residues pruned to eliminate duplicates Z: 26 17.495 1.691 0.654 0.862 0.960 0.560 CB 0.957 26 residues pruned to eliminate duplicates Z: 19 29.826 1.952 1.054 0.931 1.000 0.722 CB 1.225 19 residues pruned to eliminate duplicates Z: 19 32.174 1.971 0.971 0.932 1.000 0.722 CB 1.364 19 residues pruned to eliminate duplicates Z: 10 9.030 1.818 0.693 0.584 0.778 0.667 CB 1.159 10 residues pruned to eliminate duplicates Z: 16 16.250 1.780 1.114 0.886 0.933 0.600 CB 0.862 16 residues pruned to eliminate duplicates Z: 16 14.329 1.646 0.550 0.866 1.000 0.733 CB 1.062 16 residues pruned to eliminate duplicates Z: 6 2.385 1.330 0.970 0.300 0.600 0.600 N 0.848 Z: 16 23.433 1.912 0.908 0.879 0.933 0.600 CB 1.288 16 residues pruned to eliminate duplicates Z: 14 24.372 2.065 0.934 0.873 0.923 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 44 27.775 1.851 0.753 0.738 0.907 0.744 CB 1.162 44 residues pruned to eliminate duplicates Z: 13 22.810 1.974 0.531 0.902 1.000 0.917 CA 1.553 15 residues pruned to eliminate duplicates Z: 9 12.506 1.707 0.411 0.898 1.000 0.875 CB 1.314 9 residues pruned to eliminate duplicates Z: 15 22.548 1.959 0.767 0.817 1.000 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 11 8.331 1.679 0.718 0.557 0.800 0.600 CB 1.080 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 4.976 1.479 0.122 0.590 0.800 0.533 CB 0.888 14 residues pruned to eliminate duplicates Z: 8 6.975 1.596 0.560 0.847 0.857 0.857 CB 0.917 8 residues pruned to eliminate duplicates Z: 26 29.741 1.953 0.729 0.870 0.920 0.680 CB 1.397 26 residues pruned to eliminate duplicates Z: 25 32.234 1.985 0.646 0.886 1.000 0.708 CB 1.453 25 residues pruned to eliminate duplicates Z: 27 30.727 1.956 0.625 0.887 0.962 0.808 CB 1.422 27 residues pruned to eliminate duplicates Z: 28 28.996 1.897 0.575 0.872 0.963 0.889 CB 1.414 28 residues pruned to eliminate duplicates Z: 27 29.764 1.924 0.593 0.866 0.962 0.769 CB 1.451 27 residues pruned to eliminate duplicates Z: 25 29.641 1.964 0.536 0.913 1.000 0.792 CB 1.420 25 residues pruned to eliminate duplicates Z: 26 26.942 1.937 0.605 0.824 0.920 0.640 CB 1.423 26 residues pruned to eliminate duplicates Z: 28 27.301 1.906 0.624 0.871 0.926 0.704 CB 1.337 28 residues pruned to eliminate duplicates Z: 19 31.578 2.001 0.950 0.899 0.889 0.500 CB 1.533 20 residues pruned to eliminate duplicates Z: 26 31.176 1.940 0.713 0.888 0.960 0.520 CB 1.408 26 residues pruned to eliminate duplicates Z: 25 30.723 1.947 0.832 0.865 0.958 0.667 CB 1.345 25 residues pruned to eliminate duplicates Z: 21 30.280 1.990 0.882 0.881 0.950 0.550 CB 1.378 21 residues pruned to eliminate duplicates Z: 27 32.155 1.919 0.838 0.860 1.000 0.615 CB 1.314 27 residues pruned to eliminate duplicates Z: 20 29.635 2.025 0.654 0.875 1.000 0.789 CB 1.477 20 residues pruned to eliminate duplicates Z: 25 34.249 1.989 0.735 0.899 1.000 0.833 CB 1.449 25 residues pruned to eliminate duplicates Z: 26 32.931 1.955 0.704 0.891 1.000 0.760 CB 1.421 26 residues pruned to eliminate duplicates Z: 26 30.446 1.967 0.741 0.905 0.920 0.680 CB 1.376 26 residues pruned to eliminate duplicates Z: 21 29.554 1.935 0.881 0.890 1.000 0.950 CB 1.306 21 residues pruned to eliminate duplicates Z: 20 16.016 1.867 0.556 0.610 0.842 0.684 CB 1.353 20 residues pruned to eliminate duplicates Z: 24 35.651 1.984 0.877 0.887 1.000 0.739 CB 1.440 24 residues pruned to eliminate duplicates Z: 22 25.620 1.985 0.729 0.832 0.905 0.619 CB 1.352 22 residues pruned to eliminate duplicates Z: 22 24.934 1.983 0.706 0.794 0.905 0.762 CB 1.374 22 residues pruned to eliminate duplicates Z: 22 12.003 1.862 0.365 0.653 0.857 0.714 CB 1.042 10 residues pruned to eliminate duplicates Z: 10 10.798 1.991 -0.044 0.923 1.000 1.000 CA 1.329 10 residues pruned to eliminate duplicates Z: 15 12.432 2.004 0.517 0.577 0.929 0.714 CB 1.093 15 residues pruned to eliminate duplicates Z: 22 13.997 1.948 0.308 0.615 0.952 0.952 CB 1.129 22 residues pruned to eliminate duplicates Z: 10 21.137 1.994 0.734 0.913 1.000 0.889 CA 1.442 10 residues pruned to eliminate duplicates Z: 9 18.088 2.089 0.713 0.895 1.000 0.500 CB 1.281 9 residues pruned to eliminate duplicates Z: 23 16.445 1.925 0.559 0.596 0.955 0.727 CB 1.117 22 residues pruned to eliminate duplicates Z: 15 16.647 1.571 0.852 0.794 0.929 0.714 CB 1.273 15 residues pruned to eliminate duplicates Z: 22 18.964 1.948 0.823 0.656 0.952 0.667 CB 1.059 24 residues pruned to eliminate duplicates Z: 12 17.601 2.025 0.999 0.763 0.909 0.727 CB 1.142 12 residues pruned to eliminate duplicates Z: 23 13.338 1.914 0.335 0.604 0.909 0.636 CB 1.109 23 residues pruned to eliminate duplicates 6 1.965 1.795 0.196 0.361 0.600 0.400 CB 0.793 ? Z: 9 2.241 1.461 0.511 0.321 0.625 0.375 CB 0.700 9 residues pruned to eliminate duplicates Z: 10 7.471 1.684 0.352 0.752 0.778 0.778 CB 1.123 10 residues pruned to eliminate duplicates Z: 10 10.401 1.610 0.512 0.771 0.889 0.667 N 1.260 10 residues pruned to eliminate duplicates Z: 26 15.916 1.735 0.334 0.766 0.960 0.840 CB 1.131 26 residues pruned to eliminate duplicates Z: 12 9.416 1.644 0.508 0.720 0.818 0.636 CB 1.147 12 residues pruned to eliminate duplicates Z: 12 10.037 1.604 0.574 0.760 1.000 0.818 CB 0.951 12 residues pruned to eliminate duplicates Z: 26 14.952 1.694 0.583 0.604 0.880 0.360 CB 1.147 26 residues pruned to eliminate duplicates Z: 12 8.567 1.660 0.533 0.718 0.909 0.636 CB 0.917 12 residues pruned to eliminate duplicates Z: 24 8.751 1.541 0.334 0.571 0.870 0.565 CB 0.953 24 residues pruned to eliminate duplicates Z: 22 15.425 1.732 0.553 0.826 0.905 0.476 CB 1.043 22 residues pruned to eliminate duplicates Z: 25 12.159 1.721 0.458 0.562 0.833 0.375 CB 1.117 25 residues pruned to eliminate duplicates Z: 28 17.789 1.730 0.455 0.778 0.926 0.556 CB 1.150 28 residues pruned to eliminate duplicates Z: 16 17.109 1.779 0.601 0.761 1.000 0.533 CB 1.229 16 residues pruned to eliminate duplicates Z: 17 8.596 1.705 0.364 0.623 0.812 0.438 CB 1.012 17 residues pruned to eliminate duplicates Z: 16 20.133 1.849 0.621 0.809 1.000 0.867 CB 1.325 16 residues pruned to eliminate duplicates Z: 27 21.439 1.750 0.613 0.803 1.000 0.731 CB 1.144 27 residues pruned to eliminate duplicates Z: 28 21.522 1.736 0.659 0.853 0.926 0.667 CB 1.148 28 residues pruned to eliminate duplicates Z: 24 18.871 1.717 0.581 0.800 1.000 0.609 CB 1.115 24 residues pruned to eliminate duplicates Z: 26 22.173 1.761 0.638 0.806 0.960 0.640 CB 1.226 26 residues pruned to eliminate duplicates Z: 28 20.695 1.739 0.621 0.815 1.000 0.481 CB 1.075 28 residues pruned to eliminate duplicates Z: 28 19.283 1.744 0.672 0.786 0.963 0.704 CB 1.028 28 residues pruned to eliminate duplicates Z: 28 22.007 1.753 0.560 0.839 0.963 0.852 CB 1.201 27 residues pruned to eliminate duplicates Z: 26 20.224 1.737 0.573 0.869 0.920 0.600 CB 1.176 26 residues pruned to eliminate duplicates Z: 11 15.435 2.127 0.253 0.828 0.900 0.900 CB 1.532 11 residues pruned to eliminate duplicates Z: 20 22.089 1.960 0.438 0.860 0.947 0.789 CB 1.396 20 residues pruned to eliminate duplicates Z: 19 25.950 2.058 0.525 0.862 0.944 0.889 CB 1.515 19 residues pruned to eliminate duplicates Z: 18 23.300 2.048 0.533 0.854 0.941 0.824 CB 1.412 18 residues pruned to eliminate duplicates Z: 44 24.358 1.921 0.423 0.694 0.953 0.767 CB 1.193 41 residues pruned to eliminate duplicates Z: 16 27.602 2.110 0.612 0.898 1.000 0.933 CB 1.499 16 residues pruned to eliminate duplicates Z: 21 26.662 2.004 0.614 0.737 1.000 0.750 CB 1.490 20 residues pruned to eliminate duplicates Z: 16 23.189 2.119 0.521 0.910 0.933 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 21 26.914 1.985 0.658 0.779 1.000 0.800 CB 1.429 21 residues pruned to eliminate duplicates Z: 22 24.334 1.994 0.752 0.723 0.952 0.571 CB 1.305 22 residues pruned to eliminate duplicates Z: 21 23.010 1.980 0.697 0.761 0.900 0.650 CB 1.349 21 residues pruned to eliminate duplicates Z: 19 26.000 2.045 0.727 0.799 1.000 0.778 CB 1.336 19 residues pruned to eliminate duplicates Z: 16 26.152 2.162 0.652 0.893 1.000 0.867 CB 1.357 16 residues pruned to eliminate duplicates Z: 18 30.048 2.145 0.756 0.856 1.000 0.824 CB 1.427 18 residues pruned to eliminate duplicates Z: 20 29.413 2.009 0.877 0.873 1.000 0.632 CB 1.304 20 residues pruned to eliminate duplicates Z: 18 26.498 2.069 0.776 0.869 0.941 0.824 CB 1.357 18 residues pruned to eliminate duplicates Z: 24 18.801 1.856 0.451 0.834 0.826 0.739 CA 1.321 23 residues pruned to eliminate duplicates Z: 28 27.342 1.895 0.478 0.890 0.926 0.889 CA 1.459 28 residues pruned to eliminate duplicates Z: 14 10.753 1.690 0.452 0.569 0.923 0.692 CA 1.232 14 residues pruned to eliminate duplicates Z: 42 32.104 1.903 0.732 0.710 0.976 0.756 CB 1.288 42 residues pruned to eliminate duplicates Z: 19 28.159 1.955 0.722 0.897 0.944 0.611 CB 1.494 19 residues pruned to eliminate duplicates Z: 39 28.676 1.845 0.494 0.771 0.947 0.658 CB 1.402 39 residues pruned to eliminate duplicates Z: 43 27.852 1.871 0.713 0.674 0.952 0.571 CB 1.200 43 residues pruned to eliminate duplicates Z: 42 30.191 1.916 0.743 0.683 0.951 0.659 CB 1.254 42 residues pruned to eliminate duplicates Z: 18 27.464 1.982 0.915 0.845 0.941 0.647 CB 1.386 18 residues pruned to eliminate duplicates Z: 49 32.787 1.904 0.622 0.729 0.938 0.646 CB 1.330 49 residues pruned to eliminate duplicates Z: 42 34.368 1.926 0.779 0.719 1.000 0.659 CB 1.285 42 residues pruned to eliminate duplicates Z: 21 25.001 1.899 0.905 0.812 0.850 0.450 CB 1.385 21 residues pruned to eliminate duplicates Z: 28 40.252 1.914 0.870 0.890 1.000 0.630 CB 1.557 28 residues pruned to eliminate duplicates Z: 26 21.549 1.817 0.719 0.696 0.880 0.480 CB 1.311 26 residues pruned to eliminate duplicates Z: 50 35.856 1.904 0.752 0.772 0.959 0.653 CB 1.259 50 residues pruned to eliminate duplicates Z: 36 33.533 1.833 0.828 0.750 0.943 0.686 CB 1.435 39 residues pruned to eliminate duplicates Z: 28 35.253 1.873 0.860 0.922 0.963 0.741 CB 1.422 28 residues pruned to eliminate duplicates Z: 51 35.815 1.889 0.669 0.761 0.980 0.740 CB 1.300 51 residues pruned to eliminate duplicates Z: 29 37.081 1.891 0.854 0.884 0.964 0.750 CB 1.498 29 residues pruned to eliminate duplicates Z: 30 31.012 1.869 0.738 0.789 0.931 0.552 CB 1.477 30 residues pruned to eliminate duplicates Z: 22 22.595 1.837 0.758 0.829 0.857 0.619 CB 1.341 22 residues pruned to eliminate duplicates Z: 29 31.985 1.836 0.818 0.859 0.929 0.679 CB 1.435 29 residues pruned to eliminate duplicates Z: 51 37.257 1.888 0.748 0.730 0.980 0.740 CB 1.325 51 residues pruned to eliminate duplicates Z: 59 32.712 1.854 0.696 0.673 0.931 0.655 CB 1.250 59 residues pruned to eliminate duplicates Z: 76 43.569 1.885 0.734 0.752 0.973 0.720 CB 1.263 76 residues pruned to eliminate duplicates Z: 53 31.932 1.869 0.719 0.721 0.923 0.538 CB 1.223 53 residues pruned to eliminate duplicates Z: 25 31.960 1.883 0.891 0.880 0.958 0.417 CB 1.386 25 residues pruned to eliminate duplicates Z: 61 43.010 1.845 0.705 0.804 0.983 0.750 CB 1.377 61 residues pruned to eliminate duplicates Z: 29 26.373 1.904 0.524 0.828 0.964 0.857 CB 1.341 29 residues pruned to eliminate duplicates Z: 81 38.220 1.863 0.691 0.722 0.913 0.650 CB 1.217 81 residues pruned to eliminate duplicates Z: 23 20.559 1.883 0.588 0.694 0.909 0.773 CB 1.349 23 residues pruned to eliminate duplicates Z: 35 25.510 1.803 0.627 0.727 0.912 0.706 CB 1.333 35 residues pruned to eliminate duplicates Z: 21 24.399 1.930 0.687 0.815 1.000 0.700 CB 1.274 21 residues pruned to eliminate duplicates Z: 30 27.551 1.897 0.750 0.803 1.000 0.621 CB 1.183 30 residues pruned to eliminate duplicates Z: 31 27.187 1.900 0.782 0.771 0.933 0.667 CB 1.235 31 residues pruned to eliminate duplicates Z: 30 25.960 1.889 0.683 0.831 0.931 0.621 CB 1.224 30 residues pruned to eliminate duplicates Z: 30 27.484 1.908 0.649 0.858 0.966 0.793 CB 1.237 30 residues pruned to eliminate duplicates Z: 21 20.887 1.930 0.581 0.833 0.950 0.850 CB 1.209 21 residues pruned to eliminate duplicates Z: 28 23.615 1.827 0.697 0.750 0.963 0.630 CB 1.218 28 residues pruned to eliminate duplicates Z: 19 17.963 1.821 0.839 0.803 0.889 0.556 CB 1.091 19 residues pruned to eliminate duplicates Z: 30 23.858 1.878 0.583 0.786 1.000 0.690 CB 1.159 30 residues pruned to eliminate duplicates Z: 28 19.670 1.791 0.593 0.750 0.815 0.704 CB 1.303 28 residues pruned to eliminate duplicates Z: 32 20.758 1.727 0.701 0.668 0.871 0.677 CB 1.247 32 residues pruned to eliminate duplicates Z: 30 22.983 1.898 0.522 0.789 0.966 0.724 CB 1.187 30 residues pruned to eliminate duplicates Z: 23 23.073 1.893 0.628 0.847 0.909 0.773 CB 1.304 23 residues pruned to eliminate duplicates Z: 31 26.505 1.852 0.746 0.796 0.900 0.700 CB 1.283 31 residues pruned to eliminate duplicates Z: 28 27.731 1.860 0.891 0.867 0.926 0.481 CB 1.199 28 residues pruned to eliminate duplicates Z: 34 28.363 1.836 0.847 0.797 0.909 0.636 CB 1.235 34 residues pruned to eliminate duplicates Z: 31 25.086 1.863 0.756 0.783 0.933 0.533 CB 1.169 31 residues pruned to eliminate duplicates Z: 31 25.415 1.855 0.681 0.753 0.933 0.667 CB 1.273 31 residues pruned to eliminate duplicates Z: 30 28.928 1.887 0.669 0.802 0.966 0.724 CB 1.357 30 residues pruned to eliminate duplicates Z: 34 28.027 1.866 0.841 0.771 0.970 0.636 CB 1.152 34 residues pruned to eliminate duplicates Z: 29 27.504 1.882 0.818 0.790 0.964 0.500 CB 1.221 29 residues pruned to eliminate duplicates Z: 36 25.880 1.849 0.814 0.736 0.886 0.514 CB 1.192 36 residues pruned to eliminate duplicates Z: 40 24.963 1.748 0.650 0.769 1.000 0.744 CB 1.092 40 residues pruned to eliminate duplicates Z: 88 43.758 1.836 0.714 0.739 0.966 0.655 CB 1.246 88 residues pruned to eliminate duplicates Z: 38 24.917 1.820 0.649 0.727 0.919 0.730 CB 1.211 38 residues pruned to eliminate duplicates Z: 39 29.308 1.812 0.719 0.774 0.974 0.737 CB 1.230 39 residues pruned to eliminate duplicates Z: 27 36.904 2.148 0.628 0.845 0.962 0.846 CB 1.601 33 residues pruned to eliminate duplicates Z: 26 35.462 2.133 0.596 0.822 1.000 0.800 CB 1.576 25 residues pruned to eliminate duplicates Z: 24 42.580 2.140 0.813 0.945 1.000 1.000 CB 1.584 24 residues pruned to eliminate duplicates Z: 27 37.429 2.117 0.731 0.806 0.962 0.692 CB 1.595 27 residues pruned to eliminate duplicates Z: 22 23.321 2.050 0.648 0.695 0.857 0.714 CB 1.470 22 residues pruned to eliminate duplicates Z: 28 37.906 2.082 0.739 0.832 0.926 0.815 CB 1.633 28 residues pruned to eliminate duplicates Z: 28 39.657 2.124 0.904 0.801 0.926 0.815 CB 1.567 28 residues pruned to eliminate duplicates Z: 29 39.423 2.107 0.967 0.792 0.929 0.714 CB 1.498 29 residues pruned to eliminate duplicates Z: 21 31.591 2.158 0.890 0.725 0.900 0.650 CB 1.571 21 residues pruned to eliminate duplicates Z: 27 39.044 2.074 1.024 0.785 0.962 0.654 CB 1.477 27 residues pruned to eliminate duplicates Z: 28 41.416 2.085 0.949 0.827 0.963 0.741 CB 1.535 28 residues pruned to eliminate duplicates Z: 26 47.032 2.165 0.973 0.876 1.000 0.840 CB 1.600 26 residues pruned to eliminate duplicates Z: 28 44.606 2.093 1.067 0.793 0.963 0.704 CB 1.594 28 residues pruned to eliminate duplicates Z: 28 44.553 2.107 1.028 0.823 0.963 0.704 CB 1.575 28 residues pruned to eliminate duplicates Z: 28 43.935 2.113 1.007 0.818 0.963 0.593 CB 1.570 27 residues pruned to eliminate duplicates Z: 24 44.655 2.138 1.111 0.955 0.957 0.913 CB 1.483 24 residues pruned to eliminate duplicates Z: 28 41.362 2.132 1.095 0.789 0.889 0.556 CB 1.555 28 residues pruned to eliminate duplicates Z: 28 41.415 2.093 1.032 0.782 0.963 0.593 CB 1.518 28 residues pruned to eliminate duplicates Z: 28 42.439 2.114 1.116 0.785 0.926 0.556 CB 1.535 28 residues pruned to eliminate duplicates Z: 28 40.374 2.116 1.010 0.815 0.926 0.519 CB 1.501 28 residues pruned to eliminate duplicates Z: 27 45.980 2.138 1.168 0.841 0.962 0.654 CB 1.509 27 residues pruned to eliminate duplicates Z: 18 24.365 1.991 1.049 0.812 0.824 0.529 CB 1.340 18 residues pruned to eliminate duplicates Z: 29 40.404 2.066 1.094 0.809 0.964 0.536 CB 1.398 29 residues pruned to eliminate duplicates Z: 27 50.079 2.137 1.253 0.871 0.962 0.846 CB 1.547 27 residues pruned to eliminate duplicates Z: 27 48.974 2.135 1.201 0.849 0.962 0.692 CB 1.576 27 residues pruned to eliminate duplicates Z: 16 29.199 2.071 0.607 0.936 1.000 0.933 CB 1.577 16 residues pruned to eliminate duplicates Z: 16 27.405 2.074 0.535 0.918 1.000 0.933 CB 1.566 16 residues pruned to eliminate duplicates Z: 17 23.578 2.005 0.430 0.877 1.000 0.938 CB 1.493 17 residues pruned to eliminate duplicates Z: 17 30.792 2.095 0.733 0.871 1.000 0.875 CB 1.547 17 residues pruned to eliminate duplicates Z: 18 28.705 2.017 0.703 0.828 1.000 0.824 CB 1.526 18 residues pruned to eliminate duplicates Z: 19 28.256 1.935 0.804 0.838 1.000 0.778 CB 1.426 19 residues pruned to eliminate duplicates Z: 17 28.905 2.042 0.826 0.839 1.000 0.750 CB 1.447 17 residues pruned to eliminate duplicates Z: 16 26.918 2.095 0.677 0.851 1.000 0.800 CB 1.465 16 residues pruned to eliminate duplicates Z: 18 24.809 2.006 0.715 0.802 0.941 0.824 CB 1.428 18 residues pruned to eliminate duplicates Z: 17 29.681 2.048 0.708 0.877 1.000 0.875 CB 1.540 17 residues pruned to eliminate duplicates Z: 19 24.948 1.942 0.639 0.830 1.000 0.833 CB 1.388 19 residues pruned to eliminate duplicates Z: 17 31.991 2.097 0.833 0.886 1.000 0.938 CB 1.501 17 residues pruned to eliminate duplicates Z: 17 29.954 2.030 0.935 0.864 1.000 0.812 CB 1.398 17 residues pruned to eliminate duplicates Z: 16 32.074 2.118 0.976 0.876 0.933 0.733 CB 1.541 16 residues pruned to eliminate duplicates Z: 16 31.446 2.104 0.929 0.869 1.000 0.667 CB 1.461 16 residues pruned to eliminate duplicates Z: 27 23.121 1.915 0.663 0.643 0.923 0.615 CB 1.349 27 residues pruned to eliminate duplicates Z: 36 24.372 1.841 0.652 0.671 0.943 0.657 CB 1.227 31 residues pruned to eliminate duplicates Z: 6 3.892 1.493 0.049 0.436 1.000 0.400 O 1.188 6 residues pruned to eliminate duplicates Z: 9 4.299 1.749 0.032 0.405 0.750 0.750 CB 1.241 9 residues pruned to eliminate duplicates Z: 14 15.289 1.905 0.363 0.710 0.923 0.923 CB 1.463 14 residues pruned to eliminate duplicates Z: 25 18.598 1.912 0.690 0.608 0.875 0.417 CB 1.212 25 residues pruned to eliminate duplicates Z: 33 17.342 1.857 0.393 0.519 0.875 0.688 CB 1.329 33 residues pruned to eliminate duplicates Z: 31 17.133 1.871 0.496 0.567 0.867 0.633 CB 1.208 31 residues pruned to eliminate duplicates Z: 31 22.215 1.917 0.640 0.625 0.867 0.667 CB 1.322 31 residues pruned to eliminate duplicates Z: 22 9.629 1.666 0.230 0.498 0.905 0.667 CB 1.136 22 residues pruned to eliminate duplicates Z: 58 27.231 1.828 0.593 0.624 0.947 0.649 CB 1.163 58 residues pruned to eliminate duplicates Z: 15 14.708 1.767 0.607 0.633 0.929 0.643 CB 1.317 15 residues pruned to eliminate duplicates Z: 37 22.091 1.826 0.659 0.573 0.889 0.500 CB 1.274 37 residues pruned to eliminate duplicates Z: 16 10.387 1.798 0.435 0.534 0.800 0.600 CB 1.257 16 residues pruned to eliminate duplicates Z: 17 11.725 1.781 0.405 0.539 0.875 0.750 CB 1.289 17 residues pruned to eliminate duplicates Z: 38 21.795 1.910 0.375 0.637 0.892 0.757 CB 1.345 38 residues pruned to eliminate duplicates Z: 35 17.715 1.818 0.433 0.527 0.912 0.765 CB 1.245 35 residues pruned to eliminate duplicates Z: 43 22.082 1.847 0.381 0.622 0.905 0.762 CB 1.316 43 residues pruned to eliminate duplicates Z: 60 27.607 1.872 0.479 0.663 0.915 0.746 CB 1.219 60 residues pruned to eliminate duplicates Z: 38 17.172 1.803 0.284 0.558 0.892 0.730 CB 1.292 38 residues pruned to eliminate duplicates Z: 19 12.229 1.816 0.513 0.486 0.889 0.722 CB 1.197 19 residues pruned to eliminate duplicates Z: 27 19.155 1.882 0.327 0.691 0.923 0.654 CB 1.367 27 residues pruned to eliminate duplicates Z: 26 21.253 1.929 0.409 0.708 1.000 0.800 CB 1.294 26 residues pruned to eliminate duplicates Z: 27 18.595 1.845 0.428 0.681 0.962 0.731 CB 1.218 27 residues pruned to eliminate duplicates Z: 19 11.328 1.853 0.275 0.488 1.000 0.611 CB 1.144 19 residues pruned to eliminate duplicates Z: 21 18.030 1.875 0.489 0.622 0.950 0.700 CB 1.354 21 residues pruned to eliminate duplicates Z: 58 33.517 1.897 0.603 0.624 0.947 0.632 CB 1.370 58 residues pruned to eliminate duplicates Z: 26 21.541 1.884 0.450 0.714 0.960 0.720 CB 1.354 26 residues pruned to eliminate duplicates Z: 19 18.876 1.944 0.371 0.699 0.944 0.722 CB 1.474 19 residues pruned to eliminate duplicates Z: 23 21.056 1.912 0.377 0.756 1.000 0.818 CB 1.358 23 residues pruned to eliminate duplicates Z: 26 22.036 1.918 0.412 0.707 1.000 0.800 CB 1.349 26 residues pruned to eliminate duplicates Z: 45 24.763 1.861 0.499 0.572 0.977 0.727 CB 1.277 45 residues pruned to eliminate duplicates Z: 26 21.609 1.883 0.584 0.675 0.960 0.680 CB 1.284 26 residues pruned to eliminate duplicates Z: 20 15.318 1.882 0.588 0.640 0.789 0.632 CB 1.306 20 residues pruned to eliminate duplicates Z: 88 44.247 1.887 0.750 0.692 0.954 0.621 CB 1.264 46 residues pruned to eliminate duplicates Z: 17 23.784 1.908 0.655 0.873 0.938 0.688 CB 1.463 16 residues pruned to eliminate duplicates Z: 16 30.404 2.007 0.871 0.890 1.000 0.533 CB 1.504 16 residues pruned to eliminate duplicates Z: 16 25.032 2.013 0.628 0.879 1.000 0.800 CB 1.431 16 residues pruned to eliminate duplicates Z: 16 24.440 1.962 0.966 0.886 0.933 0.600 CB 1.265 16 residues pruned to eliminate duplicates Z: 46 26.459 1.818 0.646 0.645 0.933 0.622 CB 1.234 46 residues pruned to eliminate duplicates Z: 20 21.940 1.933 0.743 0.718 0.947 0.474 CB 1.294 20 residues pruned to eliminate duplicates Z: 17 23.914 1.980 1.023 0.876 0.938 0.375 CB 1.157 16 residues pruned to eliminate duplicates Z: 9 4.237 1.688 0.377 0.445 0.625 0.250 CB 1.091 9 residues pruned to eliminate duplicates Z: 12 7.363 1.764 0.281 0.489 0.727 0.636 CB 1.365 12 residues pruned to eliminate duplicates Z: 10 9.432 1.712 0.651 0.580 1.000 0.889 CB 1.030 10 residues pruned to eliminate duplicates Z: 48 34.008 1.934 0.769 0.822 0.915 0.681 CB 1.199 48 residues pruned to eliminate duplicates Z: 56 33.838 1.856 0.680 0.738 0.891 0.709 CB 1.327 56 residues pruned to eliminate duplicates Z: 79 35.308 1.832 0.538 0.710 0.936 0.731 CB 1.254 79 residues pruned to eliminate duplicates Z: 80 33.415 1.868 0.502 0.710 0.899 0.582 CB 1.233 125 residues pruned to eliminate duplicates Z: 30 18.862 1.849 0.817 0.812 0.828 0.552 CB 0.960 30 residues pruned to eliminate duplicates Z: 44 26.386 1.870 0.576 0.753 0.930 0.767 CB 1.171 44 residues pruned to eliminate duplicates Z: 42 26.895 1.882 0.632 0.711 0.927 0.780 CB 1.218 42 residues pruned to eliminate duplicates Z: 81 37.887 1.905 0.615 0.726 0.950 0.713 CB 1.182 81 residues pruned to eliminate duplicates Z: 32 26.240 1.868 0.680 0.745 0.968 0.742 CB 1.246 32 residues pruned to eliminate duplicates Z: 87 44.596 1.907 0.695 0.734 0.965 0.721 CB 1.249 87 residues pruned to eliminate duplicates Z: 102 42.877 1.870 0.666 0.705 0.941 0.624 CB 1.209 102 residues pruned to eliminate duplicates Z: 44 33.028 1.872 0.798 0.782 0.930 0.698 CB 1.255 44 residues pruned to eliminate duplicates Z: 52 30.522 1.843 0.708 0.721 0.902 0.647 CB 1.233 52 residues pruned to eliminate duplicates Z: 53 20.991 1.751 0.534 0.526 0.865 0.596 CB 1.221 53 residues pruned to eliminate duplicates Z: 87 41.802 1.878 0.629 0.691 0.942 0.709 CB 1.314 87 residues pruned to eliminate duplicates Z: 131 52.830 1.929 0.620 0.764 0.938 0.692 CB 1.250 132 residues pruned to eliminate duplicates Z: 19 27.730 2.006 0.657 0.941 1.000 0.944 CB 1.364 19 residues pruned to eliminate duplicates Z: 47 29.241 1.813 0.631 0.674 0.935 0.739 CB 1.328 47 residues pruned to eliminate duplicates Z: 55 39.506 1.908 0.637 0.806 0.981 0.759 CB 1.343 55 residues pruned to eliminate duplicates Z: 38 28.001 1.854 0.731 0.795 0.892 0.703 CB 1.242 38 residues pruned to eliminate duplicates Z: 41 35.653 1.936 0.640 0.784 0.975 0.750 CB 1.418 41 residues pruned to eliminate duplicates Z: 31 23.742 1.871 0.604 0.774 0.900 0.667 CB 1.259 31 residues pruned to eliminate duplicates Z: 76 27.769 1.813 0.567 0.617 0.867 0.560 CB 1.166 76 residues pruned to eliminate duplicates Z: 55 25.233 1.785 0.652 0.683 0.852 0.611 CB 1.156 55 residues pruned to eliminate duplicates Z: 58 37.568 1.909 0.752 0.767 0.930 0.684 CB 1.263 58 residues pruned to eliminate duplicates Z: 59 38.395 1.890 0.822 0.767 0.931 0.569 CB 1.242 59 residues pruned to eliminate duplicates Z: 51 34.936 1.872 0.640 0.740 0.900 0.660 CB 1.442 51 residues pruned to eliminate duplicates Z: 59 39.474 1.886 0.781 0.775 0.966 0.655 CB 1.253 59 residues pruned to eliminate duplicates Z: 76 41.634 1.898 0.843 0.724 0.947 0.613 CB 1.187 76 residues pruned to eliminate duplicates Z: 69 41.436 1.905 0.815 0.758 0.956 0.691 CB 1.208 69 residues pruned to eliminate duplicates Z: 84 40.150 1.862 0.645 0.740 0.904 0.554 CB 1.285 84 residues pruned to eliminate duplicates Z: 52 33.219 1.908 0.722 0.722 0.902 0.647 CB 1.284 52 residues pruned to eliminate duplicates Z: 86 42.747 1.883 0.655 0.738 0.929 0.671 CB 1.293 86 residues pruned to eliminate duplicates Z: 71 40.161 1.850 0.728 0.774 0.914 0.643 CB 1.288 71 residues pruned to eliminate duplicates Z: 80 43.143 1.896 0.771 0.712 0.911 0.684 CB 1.309 80 residues pruned to eliminate duplicates Z: 58 40.328 1.885 0.824 0.754 0.965 0.632 CB 1.283 58 residues pruned to eliminate duplicates Z: 103 45.907 1.910 0.717 0.720 0.922 0.647 CB 1.234 103 residues pruned to eliminate duplicates Z: 65 42.478 1.918 0.804 0.773 0.938 0.703 CB 1.286 65 residues pruned to eliminate duplicates Z: 80 39.241 1.866 0.673 0.688 0.937 0.709 CB 1.271 80 residues pruned to eliminate duplicates Z: 115 44.051 1.851 0.721 0.709 0.912 0.649 CB 1.175 115 residues pruned to eliminate duplicates Z: 59 38.329 1.880 0.824 0.718 0.966 0.569 CB 1.249 59 residues pruned to eliminate duplicates Z: 46 33.437 1.881 0.811 0.716 0.911 0.644 CB 1.321 46 residues pruned to eliminate duplicates Z: 15 9.868 1.704 0.394 0.753 0.857 0.643 CB 1.033 15 residues pruned to eliminate duplicates Z: 117 52.258 1.907 0.669 0.761 0.966 0.672 CB 1.251 117 residues pruned to eliminate duplicates Z: 121 51.015 1.921 0.692 0.760 0.900 0.642 CB 1.264 121 residues pruned to eliminate duplicates Z: 51 32.298 1.829 0.795 0.747 0.900 0.600 CB 1.239 51 residues pruned to eliminate duplicates Z: 104 41.236 1.860 0.727 0.713 0.903 0.631 CB 1.154 104 residues pruned to eliminate duplicates Z: 30 20.170 1.789 0.424 0.739 0.931 0.655 CB 1.275 30 residues pruned to eliminate duplicates Z: 107 48.042 1.926 0.559 0.789 0.953 0.717 CB 1.265 107 residues pruned to eliminate duplicates Z: 57 33.473 1.938 0.603 0.724 0.911 0.661 CB 1.291 56 residues pruned to eliminate duplicates Z: 29 21.920 1.723 0.513 0.863 0.964 0.714 CB 1.209 29 residues pruned to eliminate duplicates Z: 31 15.894 1.757 0.374 0.678 0.933 0.567 CB 1.094 31 residues pruned to eliminate duplicates Z: 50 31.393 1.978 0.429 0.748 0.980 0.653 CB 1.298 50 residues pruned to eliminate duplicates Z: 26 14.811 1.738 0.282 0.679 0.880 0.600 CB 1.281 26 residues pruned to eliminate duplicates Z: 76 38.069 1.843 0.676 0.724 0.933 0.640 CB 1.246 76 residues pruned to eliminate duplicates Z: 22 17.265 1.749 0.586 0.685 0.952 0.619 CB 1.203 22 residues pruned to eliminate duplicates Z: 59 26.797 1.869 0.459 0.691 0.879 0.655 CB 1.232 59 residues pruned to eliminate duplicates Z: 54 27.654 1.911 0.528 0.664 0.887 0.660 CB 1.260 54 residues pruned to eliminate duplicates Z: 29 18.004 1.722 0.562 0.735 0.893 0.714 CB 1.148 29 residues pruned to eliminate duplicates Z: 21 14.080 1.800 0.460 0.636 0.800 0.550 CB 1.317 21 residues pruned to eliminate duplicates Z: 112 50.272 1.913 0.754 0.725 0.937 0.694 CB 1.239 114 residues pruned to eliminate duplicates Z: 28 25.423 1.772 0.625 0.899 1.000 0.741 CB 1.214 28 residues pruned to eliminate duplicates Z: 50 28.759 1.966 0.579 0.708 0.878 0.714 CB 1.249 50 residues pruned to eliminate duplicates Z: 75 45.022 2.008 0.645 0.751 0.932 0.622 CB 1.358 72 residues pruned to eliminate duplicates Z: 26 18.825 1.816 0.423 0.793 0.960 0.640 CB 1.174 26 residues pruned to eliminate duplicates Z: 54 29.336 1.955 0.554 0.698 0.887 0.604 CB 1.249 54 residues pruned to eliminate duplicates Z: 51 31.381 1.940 0.507 0.756 0.940 0.720 CB 1.286 51 residues pruned to eliminate duplicates Z: 54 30.625 1.924 0.557 0.704 0.887 0.642 CB 1.315 54 residues pruned to eliminate duplicates Z: 58 27.598 1.846 0.647 0.643 0.895 0.579 CB 1.176 58 residues pruned to eliminate duplicates Z: 52 28.889 1.937 0.601 0.698 0.902 0.569 CB 1.208 52 residues pruned to eliminate duplicates Z: 52 32.151 1.947 0.571 0.707 0.922 0.627 CB 1.323 52 residues pruned to eliminate duplicates Z: 58 27.495 1.893 0.493 0.694 0.895 0.649 CB 1.206 58 residues pruned to eliminate duplicates Z: 34 25.787 2.047 0.437 0.688 0.939 0.697 CB 1.368 34 residues pruned to eliminate duplicates Z: 51 34.411 1.976 0.642 0.720 0.920 0.720 CB 1.336 51 residues pruned to eliminate duplicates Z: 42 25.831 1.954 0.575 0.747 0.878 0.634 CB 1.197 42 residues pruned to eliminate duplicates Z: 104 46.055 1.910 0.688 0.724 0.932 0.641 CB 1.234 104 residues pruned to eliminate duplicates Z: 34 25.677 2.025 0.584 0.708 0.939 0.636 CB 1.228 34 residues pruned to eliminate duplicates Z: 51 32.028 1.960 0.566 0.724 0.920 0.680 CB 1.311 51 residues pruned to eliminate duplicates Z: 143 57.828 1.948 0.680 0.733 0.901 0.627 CB 1.335 143 residues pruned to eliminate duplicates Z: 26 31.577 2.122 0.562 0.827 1.000 0.760 CB 1.436 26 residues pruned to eliminate duplicates Z: 60 33.201 1.916 0.585 0.724 0.949 0.661 CB 1.226 60 residues pruned to eliminate duplicates Z: 34 23.607 2.016 0.535 0.689 0.909 0.758 CB 1.229 34 residues pruned to eliminate duplicates Z: 34 28.733 2.019 0.759 0.738 0.879 0.667 CB 1.295 34 residues pruned to eliminate duplicates Z: 52 33.523 1.953 0.636 0.725 0.922 0.667 CB 1.302 52 residues pruned to eliminate duplicates Z: 26 32.077 2.095 0.786 0.863 0.960 0.640 CB 1.310 26 residues pruned to eliminate duplicates Z: 34 27.593 1.988 0.745 0.686 0.879 0.606 CB 1.328 34 residues pruned to eliminate duplicates Z: 48 30.954 1.972 0.655 0.695 0.915 0.596 CB 1.266 48 residues pruned to eliminate duplicates Z: 46 35.460 2.001 0.731 0.772 0.933 0.489 CB 1.286 46 residues pruned to eliminate duplicates Z: 26 37.272 2.119 0.932 0.854 0.960 0.640 CB 1.401 26 residues pruned to eliminate duplicates Z: 114 49.481 1.903 0.846 0.717 0.894 0.513 CB 1.218 114 residues pruned to eliminate duplicates Z: 105 47.279 1.927 0.723 0.702 0.923 0.625 CB 1.259 105 residues pruned to eliminate duplicates Z: 27 33.298 2.112 0.848 0.828 0.962 0.692 CB 1.310 27 residues pruned to eliminate duplicates Z: 55 32.778 1.906 0.754 0.688 0.889 0.500 CB 1.264 55 residues pruned to eliminate duplicates Z: 114 50.231 1.905 0.696 0.734 0.938 0.611 CB 1.263 114 residues pruned to eliminate duplicates Z: 49 32.522 1.983 0.666 0.707 0.896 0.625 CB 1.313 49 residues pruned to eliminate duplicates Z: 33 27.997 2.049 0.651 0.754 0.875 0.656 CB 1.333 33 residues pruned to eliminate duplicates Z: 25 39.944 2.109 0.720 0.903 1.000 0.917 CA 1.602 25 residues pruned to eliminate duplicates Z: 29 28.857 2.000 0.422 0.821 0.964 0.821 CA 1.506 29 residues pruned to eliminate duplicates Z: 29 38.059 2.015 0.819 0.850 0.964 0.893 CB 1.509 29 residues pruned to eliminate duplicates Z: 28 41.682 2.081 0.871 0.883 1.000 0.889 CB 1.491 28 residues pruned to eliminate duplicates Z: 32 31.118 2.012 0.726 0.728 0.903 0.742 CB 1.450 32 residues pruned to eliminate duplicates Z: 25 42.363 2.120 0.804 0.907 1.000 0.917 CA 1.608 25 residues pruned to eliminate duplicates Z: 26 40.408 2.104 0.875 0.888 0.960 0.760 CB 1.538 26 residues pruned to eliminate duplicates Z: 25 38.670 2.132 0.816 0.913 0.958 0.833 CB 1.505 25 residues pruned to eliminate duplicates Z: 25 40.881 2.111 0.911 0.905 0.958 0.833 CB 1.536 25 residues pruned to eliminate duplicates Z: 25 43.288 2.113 0.958 0.902 1.000 0.792 CB 1.524 25 residues pruned to eliminate duplicates Z: 31 35.111 2.013 0.861 0.807 0.933 0.733 CB 1.402 31 residues pruned to eliminate duplicates Z: 27 39.119 2.110 0.778 0.925 1.000 0.923 CB 1.435 27 residues pruned to eliminate duplicates Z: 25 45.988 2.123 1.035 0.896 1.000 0.708 CB 1.556 25 residues pruned to eliminate duplicates Z: 25 48.282 2.136 1.024 0.921 1.000 0.917 CB 1.605 25 residues pruned to eliminate duplicates Z: 28 41.954 2.073 1.020 0.883 0.963 0.852 CB 1.448 28 residues pruned to eliminate duplicates Z: 27 41.454 2.104 0.928 0.922 1.000 1.000 CB 1.410 27 residues pruned to eliminate duplicates Z: 27 38.893 2.099 0.866 0.921 1.000 0.731 CB 1.370 27 residues pruned to eliminate duplicates Z: 25 42.993 2.128 0.913 0.916 1.000 0.792 CB 1.523 25 residues pruned to eliminate duplicates Z: 25 38.583 2.092 0.880 0.904 0.958 0.625 CB 1.488 25 residues pruned to eliminate duplicates Z: 26 44.022 2.095 0.999 0.890 1.000 0.760 CB 1.513 28 residues pruned to eliminate duplicates Z: 27 38.855 2.042 0.898 0.917 1.000 0.731 CB 1.387 27 residues pruned to eliminate duplicates Z: 27 38.765 2.057 0.990 0.932 1.000 0.808 CB 1.297 27 residues pruned to eliminate duplicates Z: 28 37.741 2.022 1.054 0.884 0.889 0.667 CB 1.421 28 residues pruned to eliminate duplicates Z: 57 45.120 2.045 0.911 0.781 0.929 0.696 CB 1.297 57 residues pruned to eliminate duplicates Z: 27 37.618 2.052 1.045 0.895 0.962 0.654 CB 1.310 27 residues pruned to eliminate duplicates Z: 27 40.580 2.068 1.062 0.907 0.962 0.731 CB 1.379 25 residues pruned to eliminate duplicates 380 residues left after pruning, divided into chains as follows: A: 27 B: 106 C: 54 D: 193 CC for partial structure against native data = 47.14 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.450, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.518, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.621, Connect. = 0.754 for dens.mod. cycle 3 = 0.300, Contrast = 0.631, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.643, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.647, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.653, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.657, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.658, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1278 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 381 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 21.939 2.168 0.398 0.903 0.933 0.800 CB 1.428 B: 23 27.590 2.054 0.429 0.922 0.955 0.864 CB 1.476 C: 25 29.939 2.065 0.539 0.902 1.000 0.875 CB 1.372 23 residues pruned to eliminate duplicates D: 15 27.398 2.155 0.687 0.894 1.000 0.786 CB 1.445 15 residues pruned to eliminate duplicates E: 23 28.650 2.033 0.513 0.929 1.000 0.909 CB 1.389 23 residues pruned to eliminate duplicates F: 16 19.347 2.043 0.317 0.853 1.000 0.800 CB 1.372 15 residues pruned to eliminate duplicates G: 24 45.033 2.145 0.981 0.940 1.000 0.870 CB 1.535 H: 24 35.152 2.135 0.623 0.918 1.000 0.739 CB 1.492 24 residues pruned to eliminate duplicates I: 24 27.053 2.025 0.409 0.906 1.000 0.826 CB 1.406 24 residues pruned to eliminate duplicates J: 24 33.400 2.123 0.614 0.899 1.000 0.739 CB 1.453 24 residues pruned to eliminate duplicates K: 25 30.900 2.028 0.592 0.939 1.000 0.917 CB 1.358 25 residues pruned to eliminate duplicates L: 24 37.539 2.133 0.747 0.941 0.957 0.913 CB 1.524 24 residues pruned to eliminate duplicates M: 27 35.255 2.061 0.784 0.902 1.000 0.885 CB 1.340 N: 15 29.234 2.063 0.849 0.917 1.000 0.857 CB 1.446 O: 24 39.290 2.123 0.848 0.937 0.957 0.739 CB 1.520 24 residues pruned to eliminate duplicates P: 26 35.318 2.070 0.757 0.917 1.000 0.800 CB 1.371 27 residues pruned to eliminate duplicates Q: 16 27.524 2.030 0.753 0.901 1.000 0.667 CB 1.425 15 residues pruned to eliminate duplicates R: 18 29.638 2.000 0.520 0.928 1.000 0.941 CB 1.656 S: 18 27.010 2.050 0.630 0.870 0.941 0.824 CB 1.520 18 residues pruned to eliminate duplicates T: 26 30.039 1.941 0.656 0.888 0.960 0.720 CB 1.402 18 residues pruned to eliminate duplicates U: 26 31.653 1.924 0.751 0.886 0.960 0.800 CB 1.412 26 residues pruned to eliminate duplicates V: 19 21.400 1.898 0.373 0.906 1.000 0.944 CB 1.377 W: 25 29.499 2.038 0.475 0.925 1.000 0.875 CB 1.405 25 residues pruned to eliminate duplicates X: 28 28.520 1.876 0.556 0.901 0.963 0.852 CB 1.393 28 residues pruned to eliminate duplicates Y: 15 16.124 2.077 0.343 0.840 0.929 0.857 CB 1.243 15 residues pruned to eliminate duplicates Z: 27 37.036 2.053 0.848 0.916 1.000 0.808 CB 1.352 26 residues pruned to eliminate duplicates Z: 14 21.662 1.934 0.540 0.901 0.923 0.692 CA 1.560 Z: 17 22.756 2.069 0.718 0.865 0.875 0.750 CB 1.340 17 residues pruned to eliminate duplicates Z: 24 38.370 2.091 1.187 0.941 0.957 0.565 CB 1.269 24 residues pruned to eliminate duplicates Z: 15 26.725 2.153 0.757 0.899 1.000 0.786 CB 1.349 16 residues pruned to eliminate duplicates Z: 24 32.799 1.833 0.804 0.912 0.957 0.826 CB 1.531 Z: 25 41.997 2.099 1.099 0.921 0.958 0.792 CB 1.429 25 residues pruned to eliminate duplicates Z: 12 20.277 1.964 0.527 0.876 0.909 0.636 CA 1.630 12 residues pruned to eliminate duplicates Z: 15 29.273 2.082 1.121 0.920 0.929 0.500 CB 1.344 15 residues pruned to eliminate duplicates Z: 26 31.341 1.945 0.683 0.891 1.000 0.840 CB 1.376 25 residues pruned to eliminate duplicates Z: 25 43.092 2.080 1.050 0.929 0.958 0.542 CB 1.506 25 residues pruned to eliminate duplicates Z: 26 35.801 2.041 0.795 0.882 1.000 0.800 CB 1.414 26 residues pruned to eliminate duplicates Z: 26 31.026 1.975 0.538 0.897 1.000 0.920 CB 1.462 26 residues pruned to eliminate duplicates Z: 8 14.647 1.952 0.418 0.890 1.000 0.857 CA 1.439 Z: 24 28.950 2.082 0.608 0.896 1.000 0.826 CB 1.292 24 residues pruned to eliminate duplicates Z: 13 19.462 1.937 0.377 0.924 1.000 0.917 CA 1.479 Z: 29 29.236 1.844 0.622 0.885 0.964 0.821 CB 1.383 27 residues pruned to eliminate duplicates Z: 26 35.097 1.989 0.793 0.919 1.000 0.800 CB 1.387 26 residues pruned to eliminate duplicates Z: 25 37.777 2.079 0.750 0.931 1.000 0.875 CB 1.481 25 residues pruned to eliminate duplicates Z: 16 27.487 2.018 0.824 0.896 0.933 0.800 CB 1.479 16 residues pruned to eliminate duplicates Z: 25 36.605 2.107 0.776 0.940 0.917 0.792 CB 1.513 25 residues pruned to eliminate duplicates Z: 26 35.140 2.047 0.705 0.919 1.000 0.800 CB 1.420 26 residues pruned to eliminate duplicates Z: 20 21.341 1.783 0.361 0.929 1.000 0.947 CA 1.412 13 residues pruned to eliminate duplicates Z: 24 40.592 2.113 0.842 0.918 1.000 0.739 CB 1.533 24 residues pruned to eliminate duplicates Z: 15 30.707 2.110 0.780 0.938 1.000 0.857 CB 1.520 16 residues pruned to eliminate duplicates Z: 24 30.152 2.026 0.578 0.921 1.000 0.826 CB 1.384 24 residues pruned to eliminate duplicates Z: 16 23.520 1.908 0.547 0.897 1.000 0.933 CB 1.473 16 residues pruned to eliminate duplicates Z: 26 35.695 2.036 0.855 0.921 1.000 0.840 CB 1.330 26 residues pruned to eliminate duplicates Z: 26 31.285 1.940 0.639 0.916 0.960 0.800 CB 1.447 26 residues pruned to eliminate duplicates Z: 30 32.574 1.964 0.553 0.912 0.966 0.897 CB 1.456 27 residues pruned to eliminate duplicates Z: 16 21.129 2.057 0.286 0.882 1.000 0.933 CB 1.493 16 residues pruned to eliminate duplicates Z: 25 29.888 1.960 0.568 0.889 0.958 0.792 CB 1.491 25 residues pruned to eliminate duplicates Z: 26 19.303 1.772 0.477 0.854 0.960 0.680 CB 1.134 Z: 18 17.966 1.768 0.766 0.892 0.882 0.647 CB 1.136 18 residues pruned to eliminate duplicates Z: 18 27.635 1.935 0.806 0.916 1.000 1.000 CB 1.355 19 residues pruned to eliminate duplicates Z: 20 23.842 1.943 0.378 0.922 1.000 0.947 CB 1.437 20 residues pruned to eliminate duplicates Z: 26 38.920 2.085 0.915 0.922 1.000 0.880 CB 1.371 29 residues pruned to eliminate duplicates Z: 16 18.811 1.860 0.405 0.901 0.933 0.800 CB 1.421 16 residues pruned to eliminate duplicates Z: 14 20.166 1.889 0.466 0.923 0.923 0.846 CA 1.538 14 residues pruned to eliminate duplicates Z: 17 29.763 2.122 0.500 0.931 1.000 1.000 CA 1.634 17 residues pruned to eliminate duplicates Z: 16 33.019 2.052 0.981 0.934 1.000 0.733 CB 1.462 15 residues pruned to eliminate duplicates Z: 8 12.659 1.938 0.181 0.863 1.000 0.857 CA 1.534 8 residues pruned to eliminate duplicates Z: 25 34.259 2.038 0.743 0.907 1.000 0.875 CB 1.399 25 residues pruned to eliminate duplicates Z: 10 17.870 1.866 0.802 0.807 0.889 0.556 N 1.524 10 residues pruned to eliminate duplicates Z: 18 19.541 1.893 0.311 0.944 1.000 1.000 CB 1.322 Z: 29 24.978 1.826 0.821 0.863 0.893 0.714 CB 1.167 18 residues pruned to eliminate duplicates Z: 12 15.617 1.822 0.505 0.898 0.818 0.727 O 1.501 12 residues pruned to eliminate duplicates Z: 23 31.508 2.120 0.476 0.926 1.000 0.955 CB 1.506 23 residues pruned to eliminate duplicates Z: 23 32.215 2.120 0.726 0.929 0.955 0.682 CB 1.377 24 residues pruned to eliminate duplicates Z: 13 16.426 1.915 0.488 0.827 0.833 0.667 CA 1.504 13 residues pruned to eliminate duplicates Z: 20 20.746 1.839 0.772 0.871 1.000 0.789 CB 1.065 20 residues pruned to eliminate duplicates Z: 24 29.394 2.086 0.731 0.892 0.957 0.739 CB 1.274 24 residues pruned to eliminate duplicates Z: 24 34.788 2.102 0.704 0.927 1.000 0.870 CB 1.419 24 residues pruned to eliminate duplicates Z: 25 28.688 1.935 0.722 0.913 0.917 0.625 CB 1.357 25 residues pruned to eliminate duplicates Z: 27 35.157 2.054 0.665 0.921 1.000 0.885 CB 1.418 27 residues pruned to eliminate duplicates Z: 25 25.393 1.904 0.443 0.870 0.917 0.875 CB 1.502 25 residues pruned to eliminate duplicates Z: 29 30.644 1.824 0.726 0.840 0.929 0.786 CB 1.479 25 residues pruned to eliminate duplicates Z: 25 27.587 1.904 0.610 0.897 0.958 0.833 CB 1.372 25 residues pruned to eliminate duplicates Z: 25 35.780 2.088 0.848 0.934 0.958 0.750 CB 1.377 25 residues pruned to eliminate duplicates Z: 27 28.120 1.904 0.725 0.861 1.000 0.769 CB 1.234 28 residues pruned to eliminate duplicates Z: 21 29.715 1.919 0.853 0.861 0.950 0.700 CB 1.445 21 residues pruned to eliminate duplicates Z: 26 30.592 2.006 0.720 0.897 1.000 0.720 CB 1.270 26 residues pruned to eliminate duplicates Z: 24 36.274 2.080 0.677 0.929 1.000 0.826 CB 1.517 24 residues pruned to eliminate duplicates Z: 28 20.720 1.715 0.527 0.889 1.000 0.630 CB 1.096 Z: 20 26.454 1.983 0.550 0.926 1.000 1.000 CA 1.384 20 residues pruned to eliminate duplicates Z: 24 30.986 2.067 0.527 0.908 1.000 0.957 CB 1.454 24 residues pruned to eliminate duplicates Z: 21 22.369 1.823 0.625 0.868 0.950 0.800 CA 1.300 20 residues pruned to eliminate duplicates Z: 14 12.777 1.818 0.383 0.700 0.846 0.615 CB 1.388 14 residues pruned to eliminate duplicates Z: 10 12.943 2.011 0.133 0.822 0.889 0.889 CA 1.611 9 residues pruned to eliminate duplicates Z: 11 16.260 1.942 0.360 0.867 0.900 0.600 CA 1.583 11 residues pruned to eliminate duplicates Z: 21 24.899 1.889 0.675 0.873 0.950 0.750 CB 1.349 18 residues pruned to eliminate duplicates Z: 22 20.357 1.780 1.096 0.842 0.952 0.571 CB 0.932 12 residues pruned to eliminate duplicates Z: 26 30.954 2.006 0.549 0.891 1.000 0.880 CB 1.432 27 residues pruned to eliminate duplicates Z: 6 5.752 1.999 0.645 0.790 0.800 0.600 CB 0.758 5 residues pruned to eliminate duplicates Z: 10 14.912 1.881 0.880 0.908 1.000 0.667 CB 0.998 10 residues pruned to eliminate duplicates Z: 23 32.192 2.071 0.730 0.930 1.000 0.909 CB 1.340 23 residues pruned to eliminate duplicates Z: 29 27.463 1.841 0.437 0.870 0.964 0.750 CB 1.484 29 residues pruned to eliminate duplicates Z: 8 15.037 1.839 0.623 0.875 0.857 0.571 CA 1.614 8 residues pruned to eliminate duplicates Z: 30 30.468 1.889 1.023 0.897 0.966 0.483 CB 1.098 30 residues pruned to eliminate duplicates Z: 12 3.271 1.587 0.225 0.426 0.909 0.455 CB 0.603 Z: 20 20.492 1.862 0.458 0.866 1.000 0.842 CB 1.268 20 residues pruned to eliminate duplicates Z: 24 28.280 2.055 0.422 0.910 1.000 0.870 CB 1.432 24 residues pruned to eliminate duplicates Z: 10 9.113 1.544 0.605 0.719 0.778 0.556 CB 1.294 10 residues pruned to eliminate duplicates Z: 24 39.346 2.093 0.780 0.922 1.000 0.913 CB 1.548 24 residues pruned to eliminate duplicates Z: 24 24.905 1.893 0.640 0.849 0.913 0.565 CB 1.358 24 residues pruned to eliminate duplicates Z: 8 13.250 1.939 0.342 0.906 1.000 1.000 CB 1.368 8 residues pruned to eliminate duplicates Z: 23 33.454 2.060 0.901 0.937 1.000 0.773 CB 1.267 23 residues pruned to eliminate duplicates Z: 6 8.987 2.088 0.522 0.843 0.800 0.600 CB 1.177 6 residues pruned to eliminate duplicates Z: 27 29.828 1.834 0.920 0.933 1.000 0.615 CB 1.159 27 residues pruned to eliminate duplicates Z: 25 29.373 1.916 0.534 0.908 1.000 0.833 CB 1.450 25 residues pruned to eliminate duplicates Z: 19 23.814 1.943 0.404 0.928 1.000 0.833 CB 1.440 19 residues pruned to eliminate duplicates Z: 14 17.611 1.905 0.299 0.904 1.000 0.846 CA 1.407 14 residues pruned to eliminate duplicates Z: 14 19.664 1.870 0.378 0.918 1.000 0.923 CA 1.493 14 residues pruned to eliminate duplicates Z: 27 30.025 1.825 0.884 0.883 0.962 0.615 CB 1.289 27 residues pruned to eliminate duplicates Z: 26 28.228 1.937 0.547 0.879 0.960 0.840 CB 1.423 26 residues pruned to eliminate duplicates Z: 27 32.339 2.046 0.529 0.911 1.000 0.923 CB 1.437 27 residues pruned to eliminate duplicates Z: 25 25.122 1.941 0.382 0.892 0.958 0.917 CB 1.433 25 residues pruned to eliminate duplicates Z: 27 30.131 1.850 0.659 0.918 1.000 0.731 CB 1.359 27 residues pruned to eliminate duplicates Z: 23 25.812 1.813 0.680 0.893 0.955 0.727 CA 1.359 23 residues pruned to eliminate duplicates Z: 16 29.773 2.146 0.917 0.898 0.933 0.667 CB 1.432 17 residues pruned to eliminate duplicates Z: 18 17.373 1.700 0.480 0.833 1.000 0.765 CB 1.256 19 residues pruned to eliminate duplicates Z: 27 21.653 1.762 0.514 0.871 0.962 0.808 CB 1.208 26 residues pruned to eliminate duplicates Z: 27 37.035 2.077 0.853 0.917 1.000 0.846 CB 1.332 27 residues pruned to eliminate duplicates Z: 23 14.790 1.766 0.420 0.834 0.818 0.682 CB 1.152 23 residues pruned to eliminate duplicates Z: 20 16.660 1.716 0.374 0.841 0.947 0.526 CB 1.275 20 residues pruned to eliminate duplicates Z: 15 13.474 1.818 0.195 0.884 0.929 0.857 CB 1.290 15 residues pruned to eliminate duplicates Z: 24 32.233 1.995 1.006 0.944 1.000 0.739 CB 1.163 24 residues pruned to eliminate duplicates Z: 26 26.135 2.012 0.518 0.886 0.960 0.680 CB 1.287 26 residues pruned to eliminate duplicates Z: 26 22.333 1.859 0.447 0.813 0.920 0.800 CB 1.374 26 residues pruned to eliminate duplicates Z: 29 16.698 1.686 0.635 0.768 0.821 0.607 CB 1.099 29 residues pruned to eliminate duplicates Z: 17 31.671 2.109 0.847 0.895 0.938 0.750 CB 1.555 16 residues pruned to eliminate duplicates Z: 20 19.411 1.847 0.499 0.875 1.000 0.842 CB 1.170 20 residues pruned to eliminate duplicates Z: 8 13.879 1.867 0.516 0.890 1.000 0.857 CB 1.333 8 residues pruned to eliminate duplicates Z: 27 19.607 1.736 0.614 0.848 0.885 0.577 CB 1.150 27 residues pruned to eliminate duplicates Z: 18 24.063 1.973 0.546 0.925 1.000 0.824 CB 1.342 18 residues pruned to eliminate duplicates Z: 24 27.965 1.987 0.463 0.933 1.000 0.913 CB 1.400 24 residues pruned to eliminate duplicates Z: 25 29.906 1.959 0.480 0.895 1.000 0.792 CB 1.510 25 residues pruned to eliminate duplicates Z: 24 28.661 1.987 0.573 0.919 1.000 0.826 CB 1.348 24 residues pruned to eliminate duplicates Z: 10 15.648 1.893 0.497 0.844 0.889 0.778 CA 1.540 10 residues pruned to eliminate duplicates Z: 11 10.045 1.578 0.203 0.828 1.000 0.700 CA 1.260 12 residues pruned to eliminate duplicates Z: 15 23.931 2.092 0.618 0.884 1.000 0.643 CB 1.365 15 residues pruned to eliminate duplicates Z: 24 36.372 2.120 0.707 0.933 0.957 0.870 CB 1.529 24 residues pruned to eliminate duplicates Z: 25 24.762 1.904 0.507 0.865 0.958 0.792 CB 1.346 25 residues pruned to eliminate duplicates Z: 9 15.543 2.101 0.516 0.911 1.000 1.000 CB 1.223 7 residues pruned to eliminate duplicates Z: 8 7.199 1.587 0.457 0.807 1.000 0.714 CB 0.900 Z: 10 16.344 1.785 0.902 0.841 1.000 0.667 CB 1.196 10 residues pruned to eliminate duplicates Z: 24 38.963 2.092 1.010 0.946 0.957 0.565 CB 1.396 24 residues pruned to eliminate duplicates Z: 17 30.103 2.104 0.645 0.889 1.000 0.812 CB 1.566 17 residues pruned to eliminate duplicates Z: 24 22.308 1.964 0.197 0.917 1.000 0.870 CB 1.396 24 residues pruned to eliminate duplicates Z: 26 19.374 1.757 0.388 0.857 1.000 0.800 CB 1.171 26 residues pruned to eliminate duplicates Z: 20 26.449 1.901 0.743 0.914 1.000 0.842 CB 1.295 20 residues pruned to eliminate duplicates Z: 27 31.755 1.966 0.806 0.885 0.923 0.846 CB 1.371 27 residues pruned to eliminate duplicates Z: 19 21.493 1.875 0.492 0.866 1.000 0.833 CB 1.326 19 residues pruned to eliminate duplicates Z: 8 8.274 1.757 0.294 0.822 0.714 0.571 CA 1.457 8 residues pruned to eliminate duplicates Z: 20 27.432 1.976 0.561 0.930 1.000 0.895 CB 1.426 20 residues pruned to eliminate duplicates Z: 29 32.464 1.904 0.813 0.855 0.929 0.714 CB 1.412 30 residues pruned to eliminate duplicates Z: 28 31.102 1.834 0.832 0.860 0.963 0.667 CB 1.360 28 residues pruned to eliminate duplicates Z: 28 26.772 1.784 0.668 0.882 0.926 0.667 CB 1.353 28 residues pruned to eliminate duplicates Z: 10 3.840 1.622 0.126 0.457 0.667 0.444 CB 1.099 Z: 17 28.759 2.016 0.869 0.911 1.000 0.688 CB 1.352 17 residues pruned to eliminate duplicates Z: 26 16.402 1.750 0.334 0.888 0.960 0.760 CB 1.054 26 residues pruned to eliminate duplicates Z: 16 29.008 2.121 0.826 0.914 0.933 0.867 CB 1.465 16 residues pruned to eliminate duplicates Z: 19 29.117 1.915 0.849 0.934 1.000 0.778 CB 1.352 19 residues pruned to eliminate duplicates Z: 19 22.454 1.886 0.540 0.921 1.000 0.833 CB 1.282 19 residues pruned to eliminate duplicates Z: 10 13.747 1.750 0.371 0.858 1.000 0.889 CB 1.406 11 residues pruned to eliminate duplicates Z: 25 45.151 2.090 1.139 0.959 0.917 0.833 CB 1.541 25 residues pruned to eliminate duplicates Z: 11 10.911 1.606 0.265 0.886 1.000 0.800 CA 1.225 11 residues pruned to eliminate duplicates Z: 12 17.228 1.923 0.654 0.757 1.000 0.727 CB 1.300 12 residues pruned to eliminate duplicates Z: 12 19.367 1.919 0.572 0.831 0.909 0.818 CB 1.600 12 residues pruned to eliminate duplicates Z: 9 13.901 1.916 0.338 0.892 1.000 0.750 CA 1.377 9 residues pruned to eliminate duplicates Z: 18 24.707 1.915 0.746 0.854 1.000 0.824 CB 1.324 18 residues pruned to eliminate duplicates Z: 20 20.425 1.902 0.735 0.888 0.895 0.789 CB 1.143 20 residues pruned to eliminate duplicates Z: 27 37.192 2.041 0.781 0.918 1.000 0.923 CB 1.415 27 residues pruned to eliminate duplicates Z: 9 11.676 1.786 0.384 0.846 1.000 1.000 CB 1.241 Z: 10 10.074 1.822 0.595 0.883 0.889 0.556 CB 0.940 10 residues pruned to eliminate duplicates Z: 9 13.409 1.731 0.483 0.888 1.000 1.000 N 1.331 9 residues pruned to eliminate duplicates Z: 19 27.935 1.973 0.657 0.928 1.000 0.833 CB 1.411 19 residues pruned to eliminate duplicates Z: 25 43.871 2.084 1.065 0.943 1.000 0.833 CB 1.442 25 residues pruned to eliminate duplicates Z: 25 30.224 1.905 0.613 0.860 1.000 0.708 CB 1.477 26 residues pruned to eliminate duplicates Z: 23 15.356 1.752 0.300 0.863 0.955 0.818 CB 1.105 23 residues pruned to eliminate duplicates Z: 28 19.897 1.751 0.537 0.869 0.926 0.593 CB 1.123 28 residues pruned to eliminate duplicates Z: 12 11.505 1.840 0.622 0.877 0.909 0.727 CB 0.928 12 residues pruned to eliminate duplicates Z: 27 34.982 2.042 0.719 0.912 1.000 0.808 CB 1.385 27 residues pruned to eliminate duplicates Z: 21 17.643 1.745 0.446 0.854 0.950 0.750 CB 1.216 21 residues pruned to eliminate duplicates Z: 8 3.831 1.466 0.683 0.640 0.714 0.429 CB 0.721 Z: 19 18.330 1.873 0.209 0.903 1.000 0.889 CB 1.360 19 residues pruned to eliminate duplicates Z: 10 9.063 1.692 0.235 0.882 1.000 0.889 CB 1.046 10 residues pruned to eliminate duplicates Z: 8 9.023 1.915 0.521 0.826 0.714 0.571 CB 1.235 8 residues pruned to eliminate duplicates Z: 27 24.717 2.005 0.405 0.888 0.923 0.769 CB 1.343 27 residues pruned to eliminate duplicates Z: 11 7.733 1.731 0.391 0.637 0.700 0.600 O 1.275 Z: 20 24.936 1.956 0.366 0.933 1.000 0.947 CA 1.494 20 residues pruned to eliminate duplicates Z: 7 5.653 1.750 0.117 0.705 0.667 0.333 CB 1.471 7 residues pruned to eliminate duplicates Z: 6 7.020 1.461 0.772 0.871 0.800 0.800 N 1.105 6 residues pruned to eliminate duplicates Z: 27 19.515 1.727 0.448 0.884 1.000 0.654 CB 1.106 27 residues pruned to eliminate duplicates Z: 13 13.194 1.771 0.641 0.898 1.000 0.583 CB 0.938 10 residues pruned to eliminate duplicates Z: 29 34.538 1.842 0.881 0.880 0.964 0.536 CB 1.416 30 residues pruned to eliminate duplicates Z: 25 33.511 2.086 0.559 0.930 1.000 0.958 CB 1.471 25 residues pruned to eliminate duplicates Z: 19 22.052 1.759 0.434 0.844 1.000 0.778 CB 1.533 19 residues pruned to eliminate duplicates Z: 26 33.324 2.009 0.685 0.892 1.000 0.840 CB 1.415 26 residues pruned to eliminate duplicates Z: 26 27.852 2.027 0.649 0.843 0.920 0.640 CB 1.349 26 residues pruned to eliminate duplicates Z: 9 9.837 1.745 0.392 0.880 1.000 0.875 CB 1.037 9 residues pruned to eliminate duplicates Z: 24 27.839 2.078 0.359 0.909 1.000 0.913 CB 1.459 24 residues pruned to eliminate duplicates Z: 18 22.889 1.904 0.615 0.908 1.000 0.882 CB 1.282 18 residues pruned to eliminate duplicates Z: 26 30.892 1.927 0.626 0.904 1.000 0.840 CB 1.404 26 residues pruned to eliminate duplicates Z: 11 11.777 1.561 0.456 0.887 1.000 0.900 CA 1.182 10 residues pruned to eliminate duplicates 6 0.429 1.839 0.776 0.877 1.000 0.800 CB 0.043 ? Z: 20 20.203 1.887 0.412 0.899 0.947 0.842 CB 1.313 20 residues pruned to eliminate duplicates Z: 31 25.146 2.000 0.482 0.761 0.933 0.833 CB 1.316 41 residues pruned to eliminate duplicates Z: 9 15.365 1.842 0.574 0.917 1.000 1.000 CB 1.322 9 residues pruned to eliminate duplicates Z: 10 14.914 1.844 0.805 0.929 1.000 0.778 CB 1.045 10 residues pruned to eliminate duplicates Z: 16 28.206 2.022 0.767 0.930 1.000 0.667 CB 1.426 16 residues pruned to eliminate duplicates Z: 21 17.839 1.759 0.478 0.824 0.950 0.800 CB 1.220 21 residues pruned to eliminate duplicates Z: 29 32.245 1.813 0.791 0.892 0.964 0.714 CB 1.398 29 residues pruned to eliminate duplicates Z: 24 21.919 1.795 0.670 0.925 0.957 0.783 CB 1.119 24 residues pruned to eliminate duplicates Z: 9 15.088 1.822 0.651 0.885 1.000 1.000 CB 1.281 9 residues pruned to eliminate duplicates Z: 9 11.980 1.836 0.418 0.886 1.000 0.750 CB 1.174 9 residues pruned to eliminate duplicates Z: 25 23.457 1.882 0.460 0.873 0.875 0.625 CB 1.451 24 residues pruned to eliminate duplicates Z: 24 21.081 1.754 0.387 0.775 0.913 0.826 CB 1.552 19 residues pruned to eliminate duplicates Z: 25 26.052 1.893 0.443 0.906 1.000 0.917 CB 1.385 25 residues pruned to eliminate duplicates Z: 6 7.779 1.776 0.457 0.858 1.000 1.000 CB 0.990 8 residues pruned to eliminate duplicates Z: 28 31.618 1.829 0.768 0.899 1.000 0.519 CB 1.345 31 residues pruned to eliminate duplicates Z: 24 42.524 2.119 1.020 0.949 0.957 0.870 CB 1.495 24 residues pruned to eliminate duplicates Z: 15 16.118 1.795 0.502 0.874 1.000 0.786 CB 1.162 15 residues pruned to eliminate duplicates Z: 8 4.359 1.710 0.417 0.775 0.714 0.714 CB 0.746 8 residues pruned to eliminate duplicates Z: 26 19.810 1.772 0.363 0.875 0.960 0.840 CB 1.243 26 residues pruned to eliminate duplicates Z: 25 30.611 2.057 0.817 0.864 0.917 0.583 CB 1.337 25 residues pruned to eliminate duplicates Z: 30 27.553 2.048 0.578 0.759 0.931 0.655 CB 1.351 30 residues pruned to eliminate duplicates Z: 61 44.467 1.878 0.762 0.828 0.967 0.800 CB 1.351 61 residues pruned to eliminate duplicates Z: 16 22.733 1.836 1.090 0.885 0.867 0.600 CB 1.274 16 residues pruned to eliminate duplicates Z: 40 24.462 1.916 0.281 0.682 1.000 0.769 CB 1.351 39 residues pruned to eliminate duplicates Z: 7 5.412 1.538 0.264 0.807 1.000 0.833 CB 0.869 6 residues pruned to eliminate duplicates Z: 26 34.875 2.048 0.733 0.909 1.000 0.880 CB 1.394 26 residues pruned to eliminate duplicates Z: 26 18.854 1.764 0.312 0.828 1.000 0.760 CB 1.227 26 residues pruned to eliminate duplicates Z: 9 15.845 1.797 0.666 0.876 1.000 0.875 CB 1.360 9 residues pruned to eliminate duplicates Z: 8 16.403 1.887 0.741 0.913 1.000 1.000 CB 1.336 8 residues pruned to eliminate duplicates Z: 18 5.596 1.599 0.422 0.276 0.765 0.529 CB 1.006 18 residues pruned to eliminate duplicates Z: 9 14.428 2.015 0.635 0.895 1.000 0.875 CB 1.110 9 residues pruned to eliminate duplicates Z: 26 33.150 2.043 0.708 0.914 1.000 0.840 CB 1.343 26 residues pruned to eliminate duplicates Z: 28 26.674 2.023 0.451 0.813 0.926 0.889 CB 1.438 28 residues pruned to eliminate duplicates Z: 26 19.344 1.746 0.403 0.894 1.000 0.880 CB 1.133 26 residues pruned to eliminate duplicates Z: 27 19.629 1.714 0.539 0.897 0.962 0.885 CB 1.086 27 residues pruned to eliminate duplicates Z: 10 12.620 1.925 0.303 0.834 0.778 0.333 N 1.617 21 residues pruned to eliminate duplicates Z: 38 19.016 1.805 0.560 0.624 0.892 0.757 CB 1.107 38 residues pruned to eliminate duplicates Z: 33 21.055 1.768 0.708 0.648 0.906 0.469 CB 1.185 33 residues pruned to eliminate duplicates Z: 29 34.939 1.868 1.122 0.937 0.964 0.536 CB 1.202 29 residues pruned to eliminate duplicates Z: 14 19.149 1.886 0.401 0.884 0.923 0.846 CA 1.574 14 residues pruned to eliminate duplicates Z: 24 26.875 1.843 0.831 0.909 1.000 0.696 CB 1.178 24 residues pruned to eliminate duplicates Z: 24 45.189 2.095 1.131 0.944 0.957 0.826 CB 1.528 24 residues pruned to eliminate duplicates Z: 13 13.959 1.837 0.693 0.867 1.000 0.583 CB 0.948 13 residues pruned to eliminate duplicates Z: 10 13.964 1.859 0.538 0.897 1.000 1.000 CB 1.166 10 residues pruned to eliminate duplicates Z: 29 30.475 1.943 0.663 0.873 0.929 0.571 CB 1.398 29 residues pruned to eliminate duplicates Z: 12 8.407 1.398 0.444 0.885 0.909 0.636 CB 0.997 10 residues pruned to eliminate duplicates Z: 14 19.176 1.875 0.489 0.838 1.000 0.769 CA 1.424 14 residues pruned to eliminate duplicates Z: 8 8.469 1.796 0.613 0.828 0.857 0.286 CB 0.970 8 residues pruned to eliminate duplicates Z: 102 38.327 1.839 0.703 0.654 0.871 0.574 CB 1.212 102 residues pruned to eliminate duplicates Z: 28 17.879 1.903 0.304 0.624 0.926 0.630 CB 1.333 25 residues pruned to eliminate duplicates Z: 18 23.780 1.940 0.743 0.894 1.000 0.647 CB 1.223 18 residues pruned to eliminate duplicates Z: 25 21.017 1.746 0.468 0.871 0.917 0.750 CB 1.332 25 residues pruned to eliminate duplicates Z: 12 4.541 1.413 0.572 0.333 0.727 0.273 C 1.017 Z: 10 14.672 1.859 0.724 0.922 1.000 0.778 CB 1.073 10 residues pruned to eliminate duplicates Z: 14 15.274 1.849 0.437 0.872 0.923 0.769 CB 1.258 14 residues pruned to eliminate duplicates 7 0.575 1.317 0.816 0.746 0.833 0.500 CB 0.094 ? Z: 16 21.306 2.079 0.330 0.882 1.000 0.800 CB 1.440 16 residues pruned to eliminate duplicates Z: 16 20.782 1.861 0.530 0.916 1.000 0.867 CA 1.331 16 residues pruned to eliminate duplicates Z: 6 3.619 1.584 0.710 0.299 0.600 0.600 CB 1.246 7 1.865 1.283 0.501 0.426 0.667 0.667 N 0.641 ? Z: 17 23.178 1.881 0.467 0.857 1.000 0.688 O 1.547 17 residues pruned to eliminate duplicates Z: 24 45.364 2.059 1.306 0.939 0.957 0.565 CB 1.447 24 residues pruned to eliminate duplicates Z: 9 12.591 1.845 0.310 0.822 1.000 0.750 CB 1.394 9 residues pruned to eliminate duplicates Z: 10 14.982 1.890 0.828 0.912 1.000 0.889 CB 1.024 13 residues pruned to eliminate duplicates 6 1.873 1.458 0.609 0.299 0.600 0.400 CB 0.744 ? Z: 31 25.536 1.845 0.608 0.895 1.000 0.700 CB 1.127 31 residues pruned to eliminate duplicates Z: 6 4.356 1.547 1.167 0.848 1.000 0.800 CB 0.431 Z: 6 6.557 1.651 0.332 0.815 1.000 1.000 CB 1.014 6 residues pruned to eliminate duplicates Z: 25 28.408 1.883 0.494 0.888 1.000 0.958 CB 1.485 25 residues pruned to eliminate duplicates Z: 26 26.869 2.006 0.379 0.838 1.000 0.920 CB 1.451 26 residues pruned to eliminate duplicates Z: 30 28.642 1.893 0.498 0.915 0.966 0.931 CA 1.373 28 residues pruned to eliminate duplicates Z: 18 21.263 1.867 0.432 0.893 1.000 0.882 CB 1.384 18 residues pruned to eliminate duplicates Z: 15 10.606 1.654 0.419 0.775 1.000 0.714 CB 0.948 15 residues pruned to eliminate duplicates Z: 6 4.015 1.354 1.132 0.736 1.000 0.600 CB 0.503 Z: 13 9.686 1.658 0.368 0.857 0.917 0.750 CB 0.991 13 residues pruned to eliminate duplicates Z: 26 17.381 1.726 0.331 0.862 1.000 0.720 CB 1.111 26 residues pruned to eliminate duplicates Z: 25 18.517 1.757 0.396 0.829 0.917 0.875 CB 1.265 25 residues pruned to eliminate duplicates Z: 26 29.486 1.868 0.768 0.912 0.920 0.720 CB 1.375 26 residues pruned to eliminate duplicates Z: 6 4.779 1.542 0.121 0.843 1.000 0.800 O 0.921 6 residues pruned to eliminate duplicates Z: 7 8.084 1.671 0.217 0.783 1.000 1.000 CA 1.265 7 residues pruned to eliminate duplicates Z: 25 43.334 2.095 1.049 0.928 0.958 0.667 CB 1.505 25 residues pruned to eliminate duplicates Z: 11 18.813 1.985 0.415 0.823 1.000 0.900 CB 1.601 10 residues pruned to eliminate duplicates Z: 21 23.177 1.943 0.454 0.739 1.000 0.750 CB 1.480 21 residues pruned to eliminate duplicates Z: 35 32.077 1.900 0.846 0.823 1.000 0.588 CB 1.186 35 residues pruned to eliminate duplicates Z: 14 19.442 1.925 0.397 0.939 1.000 0.923 CA 1.393 14 residues pruned to eliminate duplicates Z: 26 31.979 2.017 0.921 0.851 0.960 0.440 CB 1.273 24 residues pruned to eliminate duplicates Z: 19 17.026 1.846 0.444 0.928 1.000 1.000 CB 1.054 19 residues pruned to eliminate duplicates Z: 11 12.335 1.804 0.655 0.901 0.900 0.700 CB 1.036 11 residues pruned to eliminate duplicates Z: 14 15.777 1.847 0.431 0.860 0.923 0.846 CB 1.319 14 residues pruned to eliminate duplicates Z: 17 24.901 1.936 1.133 0.930 1.000 0.812 CB 1.054 17 residues pruned to eliminate duplicates Z: 9 5.066 1.698 0.287 0.615 0.625 0.500 CB 1.176 9 residues pruned to eliminate duplicates Z: 27 29.851 2.038 0.444 0.932 1.000 0.962 CB 1.389 27 residues pruned to eliminate duplicates Z: 84 44.147 1.853 0.793 0.728 0.952 0.506 CB 1.248 84 residues pruned to eliminate duplicates Z: 27 24.497 1.844 0.624 0.854 0.962 0.692 CB 1.232 27 residues pruned to eliminate duplicates Z: 23 18.870 1.863 0.752 0.657 0.909 0.682 CB 1.171 24 residues pruned to eliminate duplicates Z: 16 9.732 1.664 0.165 0.579 0.933 0.600 CB 1.287 11 residues pruned to eliminate duplicates Z: 16 22.691 2.074 0.668 0.864 0.933 0.867 CB 1.330 16 residues pruned to eliminate duplicates Z: 27 33.662 1.867 0.845 0.925 1.000 0.731 CB 1.345 27 residues pruned to eliminate duplicates Z: 27 20.273 1.741 0.388 0.851 0.962 0.731 CB 1.266 27 residues pruned to eliminate duplicates Z: 13 12.838 1.743 0.357 0.878 0.917 0.667 CB 1.240 13 residues pruned to eliminate duplicates Z: 19 19.726 1.840 0.852 0.901 0.889 0.722 CB 1.095 19 residues pruned to eliminate duplicates Z: 12 5.389 1.621 0.293 0.249 0.818 0.455 N 1.265 Z: 25 19.054 1.745 0.506 0.870 0.958 0.750 CB 1.127 25 residues pruned to eliminate duplicates Z: 11 14.510 1.674 0.569 0.883 0.900 0.800 CA 1.404 11 residues pruned to eliminate duplicates Z: 20 18.368 1.861 0.483 0.838 0.895 0.684 CB 1.276 20 residues pruned to eliminate duplicates Z: 8 3.779 1.617 0.394 0.202 0.714 0.429 O 1.264 Z: 11 11.868 1.606 0.763 0.833 0.900 0.800 CB 1.105 Z: 28 19.087 1.703 0.507 0.848 0.926 0.667 CB 1.147 39 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 6.902 1.576 0.132 0.680 0.889 0.667 N 1.230 10 residues pruned to eliminate duplicates Z: 13 8.488 1.628 0.316 0.703 0.833 0.583 CB 1.141 13 residues pruned to eliminate duplicates Z: 9 7.874 1.563 0.212 0.631 1.000 0.625 CB 1.299 9 residues pruned to eliminate duplicates Z: 25 17.888 1.762 0.340 0.797 0.958 0.750 CB 1.244 25 residues pruned to eliminate duplicates Z: 15 9.949 1.507 0.400 0.654 1.000 0.571 CB 1.092 15 residues pruned to eliminate duplicates Z: 10 6.838 1.631 0.072 0.685 0.889 0.667 CB 1.238 10 residues pruned to eliminate duplicates Z: 13 8.929 1.673 0.398 0.721 0.833 0.583 CB 1.083 13 residues pruned to eliminate duplicates Z: 9 6.164 1.702 0.453 0.710 0.625 0.375 CB 1.165 9 residues pruned to eliminate duplicates Z: 7 5.558 1.613 0.388 0.591 0.833 0.500 N 1.114 7 residues pruned to eliminate duplicates Z: 24 18.874 1.753 0.616 0.778 0.870 0.609 CB 1.251 24 residues pruned to eliminate duplicates Z: 22 16.760 1.726 0.419 0.722 0.905 0.476 CB 1.350 21 residues pruned to eliminate duplicates Z: 26 20.574 1.763 0.442 0.873 0.960 0.720 CB 1.228 26 residues pruned to eliminate duplicates Z: 19 14.649 1.766 0.453 0.768 0.833 0.500 CB 1.273 19 residues pruned to eliminate duplicates Z: 21 16.284 1.762 0.524 0.726 0.900 0.600 CB 1.229 21 residues pruned to eliminate duplicates Z: 17 14.205 1.760 0.615 0.771 0.938 0.750 CB 1.048 17 residues pruned to eliminate duplicates Z: 16 18.652 1.828 0.563 0.804 1.000 0.800 CB 1.293 16 residues pruned to eliminate duplicates Z: 45 32.626 1.945 0.597 0.731 0.955 0.727 CB 1.348 53 residues pruned to eliminate duplicates Z: 21 17.216 1.747 0.527 0.852 0.950 0.800 CB 1.123 21 residues pruned to eliminate duplicates Z: 17 14.927 1.760 0.624 0.731 0.875 0.625 CB 1.212 17 residues pruned to eliminate duplicates Z: 22 13.882 1.728 0.617 0.660 0.857 0.476 CB 1.090 22 residues pruned to eliminate duplicates Z: 16 19.154 1.826 0.597 0.806 1.000 0.467 CB 1.298 16 residues pruned to eliminate duplicates Z: 24 17.052 1.748 0.610 0.691 0.913 0.565 CB 1.162 24 residues pruned to eliminate duplicates Z: 16 15.018 1.796 0.559 0.758 0.933 0.400 CB 1.180 16 residues pruned to eliminate duplicates Z: 16 17.788 1.805 0.586 0.794 1.000 0.667 CB 1.240 16 residues pruned to eliminate duplicates Z: 22 17.188 1.739 0.608 0.788 0.905 0.714 CB 1.152 22 residues pruned to eliminate duplicates Z: 21 25.204 1.976 0.614 0.737 1.000 0.800 CB 1.429 21 residues pruned to eliminate duplicates Z: 20 23.027 2.047 0.437 0.762 0.947 0.632 CB 1.503 20 residues pruned to eliminate duplicates Z: 18 20.603 1.986 0.328 0.889 0.941 0.824 CB 1.450 18 residues pruned to eliminate duplicates Z: 21 28.908 1.993 0.767 0.792 1.000 0.800 CB 1.420 20 residues pruned to eliminate duplicates Z: 17 27.142 2.103 0.516 0.893 1.000 0.812 CB 1.528 17 residues pruned to eliminate duplicates Z: 21 26.572 2.019 0.665 0.772 0.950 0.700 CB 1.463 21 residues pruned to eliminate duplicates Z: 16 26.816 2.156 0.797 0.912 0.933 0.733 CB 1.355 16 residues pruned to eliminate duplicates Z: 20 27.403 2.083 0.659 0.808 1.000 0.684 CB 1.391 20 residues pruned to eliminate duplicates Z: 22 24.111 1.982 0.659 0.758 0.905 0.762 CB 1.406 22 residues pruned to eliminate duplicates Z: 21 26.797 2.015 0.762 0.822 0.950 0.800 CB 1.344 21 residues pruned to eliminate duplicates Z: 17 23.328 2.080 0.689 0.883 0.938 0.750 CB 1.280 17 residues pruned to eliminate duplicates Z: 21 24.863 2.003 0.735 0.780 0.900 0.700 CB 1.389 21 residues pruned to eliminate duplicates Z: 21 25.177 2.014 0.683 0.789 0.950 0.850 CB 1.356 21 residues pruned to eliminate duplicates Z: 20 25.644 2.046 0.823 0.753 0.947 0.789 CB 1.328 21 residues pruned to eliminate duplicates Z: 16 21.465 2.124 0.552 0.794 0.867 0.600 CB 1.499 16 residues pruned to eliminate duplicates Z: 20 29.733 2.086 0.732 0.782 1.000 0.684 CB 1.472 20 residues pruned to eliminate duplicates Z: 9 10.587 1.620 0.924 0.619 0.875 0.625 CB 1.226 9 residues pruned to eliminate duplicates Z: 20 29.653 2.033 0.791 0.780 1.000 0.789 CB 1.460 20 residues pruned to eliminate duplicates Z: 12 10.846 1.793 0.128 0.757 1.000 0.818 CB 1.286 12 residues pruned to eliminate duplicates Z: 22 16.394 1.952 0.504 0.635 0.952 0.667 CB 1.127 22 residues pruned to eliminate duplicates Z: 29 15.494 1.878 0.275 0.551 0.964 0.536 CB 1.206 29 residues pruned to eliminate duplicates Z: 16 10.427 1.966 0.339 0.594 0.933 0.733 CB 1.001 16 residues pruned to eliminate duplicates Z: 27 15.355 1.927 0.350 0.611 0.923 0.769 CB 1.129 27 residues pruned to eliminate duplicates Z: 23 15.753 1.929 0.412 0.632 0.955 0.773 CB 1.141 23 residues pruned to eliminate duplicates Z: 38 27.240 1.974 0.539 0.676 0.946 0.703 CB 1.326 38 residues pruned to eliminate duplicates Z: 44 28.211 1.940 0.545 0.691 0.953 0.698 CB 1.263 44 residues pruned to eliminate duplicates Z: 23 17.983 1.974 0.543 0.627 0.955 0.727 CB 1.170 23 residues pruned to eliminate duplicates Z: 22 18.211 2.010 0.567 0.602 0.952 0.810 CB 1.203 22 residues pruned to eliminate duplicates Z: 26 18.738 1.979 0.510 0.575 0.960 0.840 CB 1.216 26 residues pruned to eliminate duplicates Z: 23 16.689 1.954 0.537 0.625 0.955 0.727 CB 1.103 23 residues pruned to eliminate duplicates Z: 28 17.147 1.931 0.470 0.561 0.963 0.667 CB 1.138 28 residues pruned to eliminate duplicates Z: 29 21.675 1.925 0.427 0.656 0.929 0.679 CB 1.390 29 residues pruned to eliminate duplicates Z: 14 9.956 1.774 0.462 0.592 0.846 0.769 CB 1.152 14 residues pruned to eliminate duplicates Z: 28 16.433 1.884 0.593 0.583 0.889 0.481 CB 1.095 28 residues pruned to eliminate duplicates Z: 32 23.419 1.900 0.667 0.618 0.935 0.645 CB 1.270 32 residues pruned to eliminate duplicates Z: 40 29.745 1.952 0.632 0.697 0.974 0.615 CB 1.282 40 residues pruned to eliminate duplicates Z: 30 23.627 1.903 0.553 0.656 0.931 0.621 CB 1.379 30 residues pruned to eliminate duplicates Z: 31 18.417 1.930 0.503 0.642 0.900 0.667 CB 1.128 31 residues pruned to eliminate duplicates Z: 29 19.040 1.934 0.554 0.510 0.964 0.607 CB 1.229 29 residues pruned to eliminate duplicates Z: 40 25.515 1.971 0.471 0.671 0.923 0.667 CB 1.304 40 residues pruned to eliminate duplicates Z: 29 23.488 1.942 0.599 0.647 0.893 0.714 CB 1.396 29 residues pruned to eliminate duplicates Z: 39 31.138 1.994 0.611 0.699 0.974 0.763 CB 1.347 39 residues pruned to eliminate duplicates Z: 44 25.412 1.906 0.669 0.599 0.884 0.721 CB 1.254 44 residues pruned to eliminate duplicates Z: 20 18.131 1.848 0.531 0.628 0.947 0.789 CA 1.375 20 residues pruned to eliminate duplicates Z: 22 20.011 1.846 0.564 0.737 0.857 0.619 CA 1.427 22 residues pruned to eliminate duplicates Z: 56 31.859 1.850 0.522 0.729 0.945 0.691 CB 1.314 56 residues pruned to eliminate duplicates Z: 46 28.232 1.923 0.656 0.624 0.911 0.756 CB 1.291 46 residues pruned to eliminate duplicates Z: 39 20.814 1.835 0.666 0.533 0.895 0.526 CB 1.195 39 residues pruned to eliminate duplicates Z: 41 27.140 1.947 0.591 0.713 0.925 0.700 CB 1.234 41 residues pruned to eliminate duplicates Z: 20 21.858 1.887 0.716 0.643 0.895 0.737 CA 1.514 20 residues pruned to eliminate duplicates Z: 42 32.339 1.977 0.555 0.691 1.000 0.756 CB 1.380 42 residues pruned to eliminate duplicates Z: 32 25.565 1.929 0.773 0.690 0.968 0.742 CB 1.166 32 residues pruned to eliminate duplicates Z: 35 27.157 1.857 0.756 0.633 0.971 0.676 CB 1.299 35 residues pruned to eliminate duplicates Z: 41 36.261 1.895 0.721 0.773 0.975 0.750 CB 1.417 41 residues pruned to eliminate duplicates Z: 17 9.771 1.676 0.508 0.559 0.750 0.500 CB 1.217 17 residues pruned to eliminate duplicates Z: 48 27.478 1.883 0.667 0.648 0.894 0.596 CB 1.245 48 residues pruned to eliminate duplicates Z: 51 27.068 1.842 0.682 0.639 0.900 0.560 CB 1.206 51 residues pruned to eliminate duplicates Z: 31 31.985 1.847 0.740 0.858 0.967 0.800 CB 1.384 31 residues pruned to eliminate duplicates Z: 51 34.896 1.907 0.671 0.758 0.960 0.720 CB 1.282 51 residues pruned to eliminate duplicates Z: 80 42.222 1.906 0.658 0.719 0.962 0.684 CB 1.282 80 residues pruned to eliminate duplicates Z: 52 35.652 1.904 0.705 0.742 0.961 0.725 CB 1.288 52 residues pruned to eliminate duplicates Z: 81 43.094 1.923 0.671 0.748 0.950 0.650 CB 1.265 81 residues pruned to eliminate duplicates Z: 50 33.708 1.916 0.682 0.750 0.959 0.571 CB 1.246 50 residues pruned to eliminate duplicates Z: 41 37.152 1.922 0.799 0.774 0.925 0.750 CB 1.441 41 residues pruned to eliminate duplicates Z: 81 41.841 1.930 0.581 0.760 0.963 0.738 CB 1.264 81 residues pruned to eliminate duplicates Z: 53 35.552 1.900 0.743 0.735 0.962 0.635 CB 1.254 53 residues pruned to eliminate duplicates Z: 74 41.773 1.890 0.660 0.744 0.973 0.726 CB 1.288 74 residues pruned to eliminate duplicates Z: 37 22.545 1.857 0.399 0.644 0.972 0.611 CB 1.301 37 residues pruned to eliminate duplicates Z: 76 38.918 1.905 0.482 0.737 0.960 0.707 CB 1.341 76 residues pruned to eliminate duplicates Z: 80 42.407 1.924 0.574 0.760 0.962 0.658 CB 1.300 80 residues pruned to eliminate duplicates Z: 27 22.751 1.928 0.532 0.721 0.923 0.769 CB 1.339 27 residues pruned to eliminate duplicates Z: 81 43.348 1.921 0.569 0.750 0.975 0.738 CB 1.319 81 residues pruned to eliminate duplicates Z: 12 7.874 1.820 0.502 0.606 0.727 0.545 CB 1.079 12 residues pruned to eliminate duplicates Z: 32 24.646 1.894 0.437 0.762 1.000 0.806 CB 1.289 32 residues pruned to eliminate duplicates Z: 34 25.732 1.866 0.553 0.743 0.970 0.788 CB 1.282 34 residues pruned to eliminate duplicates Z: 33 28.413 1.931 0.711 0.777 0.938 0.781 CB 1.270 33 residues pruned to eliminate duplicates Z: 59 44.150 1.902 0.739 0.830 0.983 0.741 CB 1.340 59 residues pruned to eliminate duplicates Z: 31 25.189 1.930 0.609 0.781 0.933 0.733 CB 1.239 31 residues pruned to eliminate duplicates Z: 30 25.877 1.927 0.531 0.795 0.966 0.828 CB 1.303 30 residues pruned to eliminate duplicates Z: 58 38.322 1.860 0.700 0.809 0.965 0.684 CB 1.271 58 residues pruned to eliminate duplicates Z: 32 25.094 1.901 0.520 0.780 0.968 0.645 CB 1.259 32 residues pruned to eliminate duplicates Z: 30 25.282 1.891 0.523 0.786 0.966 0.793 CB 1.313 30 residues pruned to eliminate duplicates Z: 85 42.808 1.909 0.609 0.753 0.952 0.762 CB 1.274 85 residues pruned to eliminate duplicates Z: 41 32.282 1.886 0.578 0.794 0.975 0.825 CB 1.359 41 residues pruned to eliminate duplicates Z: 32 25.367 1.907 0.562 0.843 0.903 0.774 CB 1.261 32 residues pruned to eliminate duplicates Z: 30 25.612 1.898 0.571 0.812 0.966 0.828 CB 1.259 30 residues pruned to eliminate duplicates Z: 29 22.258 1.846 0.647 0.659 0.929 0.786 CB 1.285 29 residues pruned to eliminate duplicates Z: 29 28.089 1.926 0.748 0.793 0.964 0.714 CB 1.264 29 residues pruned to eliminate duplicates Z: 81 39.379 1.855 0.643 0.723 0.938 0.700 CB 1.259 81 residues pruned to eliminate duplicates Z: 33 24.145 1.902 0.553 0.782 0.938 0.781 CB 1.202 33 residues pruned to eliminate duplicates Z: 60 42.020 1.893 0.606 0.836 0.983 0.746 CB 1.370 60 residues pruned to eliminate duplicates Z: 16 11.398 1.747 0.682 0.699 0.800 0.667 CB 1.044 16 residues pruned to eliminate duplicates Z: 37 27.603 1.870 0.654 0.784 0.944 0.750 CB 1.226 37 residues pruned to eliminate duplicates Z: 28 23.573 1.852 0.741 0.700 0.926 0.593 CB 1.266 28 residues pruned to eliminate duplicates Z: 26 19.621 1.858 0.785 0.743 0.920 0.560 CB 1.035 26 residues pruned to eliminate duplicates Z: 31 27.027 1.900 0.710 0.795 0.933 0.667 CB 1.257 31 residues pruned to eliminate duplicates Z: 30 30.413 1.931 0.810 0.844 0.966 0.690 CB 1.245 31 residues pruned to eliminate duplicates Z: 10 15.429 1.885 0.923 0.918 1.000 0.556 CB 1.001 10 residues pruned to eliminate duplicates Z: 31 27.698 1.913 0.683 0.795 0.933 0.800 CB 1.300 31 residues pruned to eliminate duplicates Z: 11 13.816 1.826 0.817 0.907 1.000 0.700 CB 0.936 9 residues pruned to eliminate duplicates Z: 14 13.832 1.697 0.614 0.908 1.000 0.462 CB 0.995 12 residues pruned to eliminate duplicates Z: 29 24.349 1.865 0.711 0.864 0.929 0.679 CB 1.139 29 residues pruned to eliminate duplicates Z: 28 31.983 2.074 0.593 0.803 0.963 0.815 CB 1.484 28 residues pruned to eliminate duplicates Z: 27 37.319 2.144 0.763 0.848 0.962 0.808 CB 1.494 27 residues pruned to eliminate duplicates Z: 30 35.318 2.064 0.808 0.802 0.966 0.690 CB 1.398 30 residues pruned to eliminate duplicates Z: 29 36.879 2.083 0.823 0.776 0.964 0.786 CB 1.491 29 residues pruned to eliminate duplicates Z: 26 43.683 2.168 0.895 0.844 1.000 0.680 CB 1.582 26 residues pruned to eliminate duplicates Z: 28 39.096 2.090 0.856 0.815 0.963 0.815 CB 1.533 28 residues pruned to eliminate duplicates Z: 29 34.279 2.080 0.861 0.801 0.893 0.750 CB 1.440 29 residues pruned to eliminate duplicates Z: 27 41.232 2.133 0.834 0.860 1.000 0.769 CB 1.521 27 residues pruned to eliminate duplicates Z: 45 34.562 1.983 0.731 0.789 0.909 0.727 CB 1.295 45 residues pruned to eliminate duplicates Z: 27 41.513 2.106 0.941 0.810 1.000 0.577 CB 1.519 27 residues pruned to eliminate duplicates Z: 27 40.820 2.121 0.913 0.809 1.000 0.654 CB 1.507 27 residues pruned to eliminate duplicates Z: 27 36.267 2.096 0.762 0.826 0.962 0.577 CB 1.510 27 residues pruned to eliminate duplicates Z: 27 38.829 2.098 0.930 0.859 0.962 0.654 CB 1.439 27 residues pruned to eliminate duplicates Z: 28 37.146 2.097 0.945 0.789 0.926 0.519 CB 1.468 28 residues pruned to eliminate duplicates Z: 33 32.449 1.939 0.864 0.730 0.969 0.625 CB 1.333 33 residues pruned to eliminate duplicates Z: 26 46.596 2.155 1.036 0.854 0.960 0.800 CB 1.634 26 residues pruned to eliminate duplicates Z: 46 41.481 1.975 0.856 0.791 0.978 0.778 CB 1.336 46 residues pruned to eliminate duplicates Z: 27 41.521 2.070 0.984 0.813 1.000 0.538 CB 1.510 27 residues pruned to eliminate duplicates Z: 29 35.308 2.067 1.016 0.767 0.893 0.643 CB 1.416 29 residues pruned to eliminate duplicates Z: 27 43.861 2.122 0.929 0.826 1.000 0.808 CB 1.584 27 residues pruned to eliminate duplicates Z: 26 48.135 2.135 1.076 0.901 1.000 0.760 CB 1.550 26 residues pruned to eliminate duplicates Z: 46 38.085 1.976 0.819 0.758 0.933 0.711 CB 1.346 46 residues pruned to eliminate duplicates Z: 25 46.743 2.112 1.083 0.947 0.958 0.875 CB 1.564 25 residues pruned to eliminate duplicates Z: 24 40.920 2.097 1.011 0.922 0.957 0.739 CB 1.487 24 residues pruned to eliminate duplicates Z: 45 36.603 1.979 0.725 0.781 0.955 0.682 CB 1.322 45 residues pruned to eliminate duplicates Z: 46 38.952 1.972 0.794 0.792 0.978 0.733 CB 1.300 46 residues pruned to eliminate duplicates Z: 48 33.156 1.935 0.663 0.704 0.915 0.702 CB 1.364 48 residues pruned to eliminate duplicates Z: 36 32.056 1.974 0.743 0.758 0.943 0.771 CB 1.328 36 residues pruned to eliminate duplicates Z: 13 6.718 1.571 0.397 0.527 0.833 0.500 CB 1.032 13 residues pruned to eliminate duplicates Z: 37 34.569 1.963 0.842 0.712 0.944 0.694 CB 1.392 37 residues pruned to eliminate duplicates Z: 6 7.353 1.742 0.430 0.828 0.800 0.600 CB 1.242 6 residues pruned to eliminate duplicates Z: 26 30.214 1.962 0.577 0.900 0.960 0.840 CB 1.453 26 residues pruned to eliminate duplicates Z: 25 32.949 1.945 0.741 0.865 1.000 0.625 CB 1.456 25 residues pruned to eliminate duplicates Z: 26 30.883 1.949 0.600 0.881 1.000 0.680 CB 1.433 26 residues pruned to eliminate duplicates Z: 25 31.536 1.974 0.580 0.899 1.000 0.917 CB 1.475 25 residues pruned to eliminate duplicates Z: 25 30.158 1.983 0.586 0.892 0.958 0.833 CB 1.467 25 residues pruned to eliminate duplicates Z: 24 17.386 1.839 0.344 0.694 0.913 0.739 CB 1.345 24 residues pruned to eliminate duplicates Z: 21 25.990 1.923 0.652 0.816 0.950 0.700 CB 1.463 21 residues pruned to eliminate duplicates Z: 26 29.717 1.929 0.614 0.865 1.000 0.680 CB 1.398 26 residues pruned to eliminate duplicates Z: 54 47.162 2.004 0.799 0.810 0.962 0.717 CB 1.426 54 residues pruned to eliminate duplicates Z: 26 29.981 1.927 0.767 0.899 0.920 0.640 CB 1.369 26 residues pruned to eliminate duplicates Z: 21 25.102 1.967 0.647 0.825 0.950 0.450 CB 1.377 21 residues pruned to eliminate duplicates Z: 19 31.223 2.035 0.637 0.922 1.000 0.556 CB 1.553 19 residues pruned to eliminate duplicates Z: 26 31.739 1.951 0.605 0.877 1.000 0.640 CB 1.472 26 residues pruned to eliminate duplicates Z: 26 32.457 1.961 0.687 0.905 1.000 0.560 CB 1.397 26 residues pruned to eliminate duplicates Z: 25 32.611 1.972 0.710 0.916 1.000 0.667 CB 1.394 25 residues pruned to eliminate duplicates Z: 19 30.378 2.005 0.693 0.887 1.000 0.889 CB 1.521 19 residues pruned to eliminate duplicates Z: 26 30.513 1.940 0.668 0.899 0.960 0.600 CB 1.404 26 residues pruned to eliminate duplicates Z: 20 32.021 1.947 0.761 0.889 1.000 0.684 CB 1.543 20 residues pruned to eliminate duplicates Z: 21 27.977 1.980 0.841 0.838 0.950 0.850 CB 1.351 21 residues pruned to eliminate duplicates Z: 13 26.100 1.964 0.830 0.899 1.000 0.917 CA 1.498 13 residues pruned to eliminate duplicates Z: 25 33.167 1.960 0.784 0.881 0.958 0.750 CB 1.463 25 residues pruned to eliminate duplicates Z: 10 11.869 1.797 0.571 0.499 1.000 0.444 CA 1.403 10 residues pruned to eliminate duplicates Z: 16 26.209 2.000 0.496 0.932 1.000 1.000 CB 1.579 16 residues pruned to eliminate duplicates Z: 16 29.938 2.039 0.864 0.901 1.000 0.667 CB 1.453 16 residues pruned to eliminate duplicates Z: 7 11.612 1.845 0.811 0.828 0.833 0.167 CB 1.282 7 residues pruned to eliminate duplicates Z: 33 22.748 1.884 0.556 0.677 0.906 0.688 CB 1.286 33 residues pruned to eliminate duplicates Z: 16 32.222 2.082 1.071 0.843 1.000 0.533 CB 1.437 16 residues pruned to eliminate duplicates Z: 17 28.088 2.000 0.918 0.796 1.000 0.562 CB 1.414 17 residues pruned to eliminate duplicates Z: 16 30.631 2.081 0.986 0.857 1.000 0.667 CB 1.410 16 residues pruned to eliminate duplicates Z: 17 26.062 1.999 0.942 0.791 0.938 0.625 CB 1.387 17 residues pruned to eliminate duplicates Z: 16 29.636 2.078 0.924 0.858 1.000 0.467 CB 1.410 16 residues pruned to eliminate duplicates Z: 16 28.776 2.069 1.024 0.827 0.933 0.467 CB 1.433 16 residues pruned to eliminate duplicates Z: 16 30.892 2.087 0.979 0.847 1.000 0.800 CB 1.434 16 residues pruned to eliminate duplicates Z: 15 32.861 2.094 1.126 0.931 1.000 0.857 CB 1.379 15 residues pruned to eliminate duplicates Z: 16 33.169 2.027 1.223 0.890 1.000 0.467 CB 1.368 15 residues pruned to eliminate duplicates Z: 15 25.073 2.080 1.087 0.903 0.857 0.500 CB 1.284 15 residues pruned to eliminate duplicates Z: 30 21.318 1.905 0.710 0.594 0.862 0.483 CB 1.288 32 residues pruned to eliminate duplicates Z: 6 4.137 1.577 0.203 0.548 0.800 0.400 CB 1.163 6 residues pruned to eliminate duplicates Z: 9 3.629 1.618 -0.094 0.355 0.875 0.500 CB 1.169 9 residues pruned to eliminate duplicates Z: 26 19.083 1.825 0.711 0.642 0.880 0.440 CB 1.216 26 residues pruned to eliminate duplicates Z: 19 9.139 1.683 0.254 0.529 0.944 0.667 CB 1.050 17 residues pruned to eliminate duplicates Z: 14 11.268 1.760 0.220 0.716 1.000 0.846 CB 1.197 16 residues pruned to eliminate duplicates Z: 10 11.124 1.688 0.381 0.847 0.889 0.889 CB 1.329 10 residues pruned to eliminate duplicates Z: 72 40.995 1.874 0.780 0.739 0.901 0.563 CB 1.306 72 residues pruned to eliminate duplicates Z: 16 9.418 1.751 0.325 0.554 0.933 0.733 CB 1.066 12 residues pruned to eliminate duplicates Z: 9 11.744 1.679 0.420 0.869 1.000 1.000 CB 1.272 11 residues pruned to eliminate duplicates Z: 10 10.094 1.709 0.279 0.883 0.889 0.889 CB 1.252 9 residues pruned to eliminate duplicates Z: 9 12.225 1.745 0.402 0.875 1.000 0.875 CB 1.285 10 residues pruned to eliminate duplicates Z: 9 14.257 1.858 0.447 0.895 1.000 0.875 CB 1.343 9 residues pruned to eliminate duplicates Z: 10 15.555 1.812 0.494 0.893 1.000 0.889 CA 1.375 10 residues pruned to eliminate duplicates Z: 10 10.951 1.843 0.577 0.784 0.889 0.889 CB 1.100 10 residues pruned to eliminate duplicates Z: 15 10.861 1.800 0.383 0.634 0.857 0.786 CB 1.200 15 residues pruned to eliminate duplicates Z: 15 9.738 1.658 0.374 0.639 0.929 0.643 CB 1.080 15 residues pruned to eliminate duplicates Z: 25 18.961 1.826 0.412 0.684 1.000 0.750 CB 1.268 16 residues pruned to eliminate duplicates Z: 6 6.720 1.778 0.636 0.864 0.800 0.600 CB 0.947 13 residues pruned to eliminate duplicates Z: 7 10.211 1.794 0.603 0.840 1.000 0.500 CB 1.082 7 residues pruned to eliminate duplicates Z: 8 7.564 1.714 0.275 0.822 1.000 0.571 CB 0.990 7 residues pruned to eliminate duplicates Z: 8 8.025 1.764 0.241 0.818 1.000 0.857 CB 1.051 8 residues pruned to eliminate duplicates Z: 26 18.517 1.815 0.326 0.675 0.920 0.840 CB 1.424 26 residues pruned to eliminate duplicates Z: 26 21.847 1.886 0.524 0.663 0.960 0.880 CB 1.361 26 residues pruned to eliminate duplicates Z: 17 11.980 1.882 0.268 0.545 0.938 0.875 CA 1.281 17 residues pruned to eliminate duplicates Z: 15 15.154 1.924 0.448 0.569 1.000 0.929 CB 1.361 15 residues pruned to eliminate duplicates Z: 25 18.678 1.857 0.406 0.704 0.958 0.875 CB 1.266 25 residues pruned to eliminate duplicates Z: 17 11.803 1.906 0.260 0.554 0.938 0.812 CB 1.243 17 residues pruned to eliminate duplicates Z: 18 16.276 1.948 0.210 0.692 0.941 0.824 CA 1.492 18 residues pruned to eliminate duplicates Z: 20 20.384 1.931 0.626 0.622 0.842 0.474 CB 1.576 20 residues pruned to eliminate duplicates Z: 28 23.363 1.871 0.623 0.762 1.000 0.630 CB 1.173 28 residues pruned to eliminate duplicates Z: 26 16.572 1.835 0.692 0.689 0.880 0.520 CB 1.020 26 residues pruned to eliminate duplicates Z: 26 16.502 1.851 0.580 0.651 0.880 0.680 CB 1.114 26 residues pruned to eliminate duplicates Z: 27 21.588 1.834 0.665 0.759 0.923 0.654 CB 1.193 27 residues pruned to eliminate duplicates Z: 25 20.635 1.881 0.690 0.697 0.958 0.625 CB 1.155 25 residues pruned to eliminate duplicates Z: 33 18.766 1.777 0.562 0.707 1.000 0.500 CB 0.990 33 residues pruned to eliminate duplicates Z: 12 13.818 1.823 0.826 0.850 0.818 0.455 CB 1.133 12 residues pruned to eliminate duplicates Z: 9 10.391 1.804 0.754 0.822 0.750 0.250 CB 1.171 9 residues pruned to eliminate duplicates Z: 25 21.449 1.829 0.738 0.719 1.000 0.417 CB 1.130 25 residues pruned to eliminate duplicates Z: 27 14.731 1.776 0.649 0.565 0.846 0.462 CB 1.095 27 residues pruned to eliminate duplicates Z: 15 8.445 1.680 0.632 0.491 0.786 0.143 CB 1.057 15 residues pruned to eliminate duplicates Z: 16 8.457 1.674 0.581 0.652 0.667 0.200 CB 1.074 16 residues pruned to eliminate duplicates Z: 40 19.142 1.784 0.616 0.691 0.821 0.615 CB 1.088 40 residues pruned to eliminate duplicates Z: 52 38.920 1.936 0.708 0.819 0.941 0.765 CB 1.328 52 residues pruned to eliminate duplicates Z: 38 29.931 1.892 0.771 0.848 0.973 0.568 CB 1.120 38 residues pruned to eliminate duplicates Z: 22 22.503 1.855 1.185 0.849 0.905 0.571 CB 0.992 22 residues pruned to eliminate duplicates Z: 21 23.162 1.861 0.819 0.879 0.950 0.600 CB 1.168 21 residues pruned to eliminate duplicates Z: 54 37.641 1.904 0.818 0.721 0.925 0.736 CB 1.324 54 residues pruned to eliminate duplicates Z: 43 30.453 1.836 0.758 0.717 0.929 0.738 CB 1.288 43 residues pruned to eliminate duplicates Z: 46 33.440 1.848 0.831 0.805 0.933 0.689 CB 1.210 46 residues pruned to eliminate duplicates Z: 51 32.688 1.884 0.636 0.748 0.960 0.680 CB 1.252 51 residues pruned to eliminate duplicates Z: 64 38.260 1.891 0.678 0.730 0.921 0.667 CB 1.342 64 residues pruned to eliminate duplicates Z: 71 36.621 1.842 0.614 0.732 0.929 0.657 CB 1.287 71 residues pruned to eliminate duplicates Z: 62 35.579 1.906 0.669 0.756 0.885 0.623 CB 1.287 62 residues pruned to eliminate duplicates Z: 42 32.368 1.914 0.693 0.841 0.951 0.780 CB 1.223 42 residues pruned to eliminate duplicates Z: 47 31.200 1.861 0.700 0.754 0.913 0.630 CB 1.270 47 residues pruned to eliminate duplicates Z: 41 27.932 1.868 0.771 0.778 0.875 0.650 CB 1.194 41 residues pruned to eliminate duplicates Z: 39 37.176 1.881 0.892 0.834 0.974 0.816 CB 1.304 39 residues pruned to eliminate duplicates Z: 58 35.545 1.903 0.632 0.788 0.895 0.614 CB 1.316 58 residues pruned to eliminate duplicates Z: 35 32.882 1.940 0.592 0.801 0.971 0.765 CB 1.445 35 residues pruned to eliminate duplicates Z: 68 39.091 1.894 0.652 0.757 0.925 0.657 CB 1.312 68 residues pruned to eliminate duplicates Z: 22 21.518 1.936 0.530 0.690 0.952 0.714 CB 1.398 22 residues pruned to eliminate duplicates Z: 58 37.059 1.924 0.605 0.787 0.930 0.719 CB 1.329 58 residues pruned to eliminate duplicates Z: 61 34.728 1.866 0.625 0.736 0.917 0.633 CB 1.305 61 residues pruned to eliminate duplicates Z: 44 32.593 1.852 0.741 0.804 0.977 0.651 CB 1.211 44 residues pruned to eliminate duplicates Z: 62 33.380 1.846 0.628 0.691 0.951 0.574 CB 1.256 62 residues pruned to eliminate duplicates Z: 54 38.249 1.912 0.718 0.809 0.906 0.717 CB 1.349 54 residues pruned to eliminate duplicates Z: 44 35.803 1.898 0.891 0.818 0.953 0.721 CB 1.211 44 residues pruned to eliminate duplicates Z: 44 31.107 1.860 0.814 0.726 0.930 0.628 CB 1.233 44 residues pruned to eliminate duplicates Z: 95 38.976 1.899 0.505 0.703 0.894 0.660 CB 1.308 95 residues pruned to eliminate duplicates Z: 69 32.461 1.845 0.510 0.725 0.868 0.662 CB 1.329 69 residues pruned to eliminate duplicates Z: 114 43.250 1.880 0.628 0.717 0.876 0.566 CB 1.247 114 residues pruned to eliminate duplicates Z: 52 44.131 1.953 0.798 0.828 0.961 0.686 CB 1.379 52 residues pruned to eliminate duplicates Z: 44 30.056 1.892 0.681 0.825 0.907 0.605 CB 1.199 44 residues pruned to eliminate duplicates Z: 58 43.256 1.924 0.808 0.810 0.965 0.702 CB 1.303 58 residues pruned to eliminate duplicates Z: 72 43.746 1.912 0.804 0.750 0.944 0.634 CB 1.276 72 residues pruned to eliminate duplicates Z: 37 31.927 1.950 0.631 0.760 0.917 0.722 CB 1.448 37 residues pruned to eliminate duplicates Z: 64 36.356 1.887 0.594 0.775 0.921 0.698 CB 1.297 64 residues pruned to eliminate duplicates Z: 68 41.674 1.908 0.723 0.742 0.955 0.567 CB 1.305 68 residues pruned to eliminate duplicates Z: 55 42.529 1.928 0.753 0.801 0.963 0.722 CB 1.366 55 residues pruned to eliminate duplicates Z: 25 24.991 1.862 0.753 0.687 0.958 0.542 CB 1.374 25 residues pruned to eliminate duplicates Z: 53 42.255 1.938 0.848 0.834 0.942 0.635 CB 1.302 53 residues pruned to eliminate duplicates Z: 68 37.855 1.894 0.672 0.767 0.910 0.701 CB 1.266 68 residues pruned to eliminate duplicates Z: 71 37.433 1.879 0.567 0.704 0.943 0.543 CB 1.338 71 residues pruned to eliminate duplicates Z: 62 41.463 1.932 0.740 0.765 0.918 0.607 CB 1.360 62 residues pruned to eliminate duplicates Z: 58 37.909 1.923 0.771 0.771 0.912 0.632 CB 1.272 58 residues pruned to eliminate duplicates Z: 62 40.717 1.912 0.805 0.739 0.934 0.557 CB 1.305 62 residues pruned to eliminate duplicates Z: 81 40.826 1.871 0.701 0.740 0.925 0.688 CB 1.250 81 residues pruned to eliminate duplicates Z: 52 37.764 1.921 0.901 0.784 0.922 0.588 CB 1.224 52 residues pruned to eliminate duplicates Z: 10 5.853 1.627 0.555 0.496 0.889 0.556 CB 0.871 10 residues pruned to eliminate duplicates Z: 20 7.646 1.575 0.393 0.456 0.789 0.579 CB 1.059 28 residues pruned to eliminate duplicates Z: 13 10.762 1.756 0.443 0.702 0.917 0.667 CB 1.112 13 residues pruned to eliminate duplicates Z: 66 44.133 1.872 0.822 0.768 0.969 0.615 CB 1.306 66 residues pruned to eliminate duplicates Z: 11 8.554 1.754 0.480 0.629 0.900 0.500 CB 1.026 11 residues pruned to eliminate duplicates Z: 56 27.881 1.922 0.497 0.638 0.909 0.636 CB 1.262 56 residues pruned to eliminate duplicates Z: 30 19.586 1.826 0.376 0.761 0.897 0.655 CB 1.280 30 residues pruned to eliminate duplicates Z: 10 12.548 1.763 0.463 0.800 1.000 0.667 CB 1.248 10 residues pruned to eliminate duplicates Z: 28 18.784 1.782 0.423 0.721 0.926 0.593 CB 1.261 28 residues pruned to eliminate duplicates Z: 57 29.794 1.914 0.403 0.732 0.929 0.661 CB 1.296 57 residues pruned to eliminate duplicates Z: 17 9.042 1.638 0.464 0.582 0.812 0.625 CB 1.072 17 residues pruned to eliminate duplicates Z: 8 4.077 1.549 0.336 0.449 0.714 0.429 CB 1.098 8 residues pruned to eliminate duplicates Z: 54 29.089 1.914 0.480 0.660 0.943 0.547 CB 1.289 54 residues pruned to eliminate duplicates Z: 121 47.085 1.892 0.706 0.710 0.883 0.600 CB 1.246 119 residues pruned to eliminate duplicates Z: 27 20.666 1.755 0.442 0.827 0.962 0.692 CB 1.255 27 residues pruned to eliminate duplicates Z: 84 42.204 1.843 0.716 0.734 0.928 0.554 CB 1.280 84 residues pruned to eliminate duplicates Z: 25 13.481 1.796 0.190 0.603 0.875 0.667 CB 1.334 25 residues pruned to eliminate duplicates Z: 66 36.025 1.867 0.652 0.676 0.908 0.523 CB 1.357 66 residues pruned to eliminate duplicates Z: 23 14.890 1.820 0.250 0.671 0.909 0.682 CB 1.311 23 residues pruned to eliminate duplicates Z: 52 27.716 1.917 0.355 0.723 0.941 0.686 CB 1.297 52 residues pruned to eliminate duplicates Z: 52 28.674 1.933 0.425 0.717 0.882 0.627 CB 1.358 52 residues pruned to eliminate duplicates Z: 46 30.288 1.971 0.505 0.758 0.933 0.689 CB 1.297 46 residues pruned to eliminate duplicates Z: 86 43.716 1.868 0.686 0.758 0.941 0.600 CB 1.271 86 residues pruned to eliminate duplicates Z: 26 16.413 1.740 0.509 0.602 0.880 0.560 CB 1.290 26 residues pruned to eliminate duplicates Z: 20 17.620 1.794 0.504 0.734 0.947 0.737 CB 1.282 20 residues pruned to eliminate duplicates Z: 128 49.713 1.901 0.655 0.704 0.961 0.622 CB 1.212 128 residues pruned to eliminate duplicates Z: 29 15.836 1.819 0.493 0.677 0.750 0.464 CB 1.248 29 residues pruned to eliminate duplicates Z: 104 41.287 1.883 0.631 0.690 0.893 0.602 CB 1.246 104 residues pruned to eliminate duplicates Z: 49 33.569 1.974 0.592 0.757 0.958 0.729 CB 1.280 49 residues pruned to eliminate duplicates Z: 51 28.188 1.932 0.533 0.681 0.880 0.680 CB 1.294 51 residues pruned to eliminate duplicates Z: 51 28.613 1.919 0.453 0.708 0.920 0.600 CB 1.305 51 residues pruned to eliminate duplicates Z: 49 26.630 1.922 0.550 0.662 0.875 0.479 CB 1.269 49 residues pruned to eliminate duplicates Z: 52 30.737 1.930 0.604 0.698 0.902 0.490 CB 1.286 52 residues pruned to eliminate duplicates Z: 36 23.806 1.997 0.542 0.649 0.886 0.657 CB 1.283 36 residues pruned to eliminate duplicates Z: 50 28.282 1.945 0.526 0.698 0.898 0.612 CB 1.265 50 residues pruned to eliminate duplicates Z: 55 31.334 1.934 0.550 0.664 0.907 0.685 CB 1.347 55 residues pruned to eliminate duplicates Z: 61 27.557 1.870 0.684 0.619 0.850 0.483 CB 1.188 61 residues pruned to eliminate duplicates Z: 55 27.670 1.922 0.533 0.655 0.870 0.611 CB 1.271 55 residues pruned to eliminate duplicates Z: 50 30.168 1.946 0.391 0.741 0.939 0.653 CB 1.366 50 residues pruned to eliminate duplicates Z: 51 27.906 1.909 0.542 0.728 0.900 0.660 CB 1.213 51 residues pruned to eliminate duplicates Z: 49 29.116 1.954 0.453 0.740 0.896 0.729 CB 1.333 49 residues pruned to eliminate duplicates Z: 53 29.981 1.938 0.447 0.693 0.923 0.654 CB 1.346 53 residues pruned to eliminate duplicates Z: 56 31.821 1.938 0.593 0.679 0.891 0.727 CB 1.323 56 residues pruned to eliminate duplicates Z: 54 28.117 1.915 0.563 0.672 0.887 0.528 CB 1.241 54 residues pruned to eliminate duplicates Z: 50 27.297 1.956 0.553 0.672 0.857 0.510 CB 1.278 50 residues pruned to eliminate duplicates Z: 54 29.522 1.931 0.545 0.718 0.906 0.679 CB 1.233 54 residues pruned to eliminate duplicates Z: 57 30.974 1.925 0.537 0.673 0.929 0.625 CB 1.283 57 residues pruned to eliminate duplicates Z: 51 30.872 1.935 0.537 0.719 0.920 0.640 CB 1.309 51 residues pruned to eliminate duplicates Z: 67 30.424 1.874 0.536 0.661 0.909 0.576 CB 1.232 67 residues pruned to eliminate duplicates Z: 59 33.792 1.911 0.596 0.714 0.931 0.690 CB 1.287 59 residues pruned to eliminate duplicates Z: 48 30.499 1.972 0.523 0.726 0.894 0.723 CB 1.352 48 residues pruned to eliminate duplicates Z: 59 31.553 1.896 0.484 0.725 0.897 0.603 CB 1.341 59 residues pruned to eliminate duplicates Z: 53 28.114 1.910 0.586 0.673 0.885 0.538 CB 1.240 53 residues pruned to eliminate duplicates Z: 54 28.751 1.913 0.521 0.687 0.868 0.623 CB 1.318 54 residues pruned to eliminate duplicates Z: 58 34.493 1.918 0.658 0.718 0.912 0.737 CB 1.293 58 residues pruned to eliminate duplicates Z: 36 24.010 2.010 0.576 0.662 0.857 0.686 CB 1.286 36 residues pruned to eliminate duplicates Z: 50 31.787 1.944 0.625 0.724 0.898 0.510 CB 1.308 50 residues pruned to eliminate duplicates Z: 50 32.429 1.940 0.559 0.749 0.918 0.633 CB 1.336 50 residues pruned to eliminate duplicates Z: 51 28.605 1.930 0.512 0.727 0.900 0.580 CB 1.256 51 residues pruned to eliminate duplicates Z: 63 31.158 1.914 0.611 0.654 0.903 0.565 CB 1.231 63 residues pruned to eliminate duplicates Z: 84 42.454 1.958 0.619 0.747 0.892 0.651 CB 1.322 93 residues pruned to eliminate duplicates Z: 29 30.860 1.929 0.602 0.895 0.964 0.714 CB 1.403 25 residues pruned to eliminate duplicates Z: 27 33.187 2.000 0.810 0.871 0.962 0.731 CB 1.364 27 residues pruned to eliminate duplicates Z: 12 17.933 2.039 0.737 0.730 1.000 0.545 CB 1.241 12 residues pruned to eliminate duplicates Z: 25 34.820 2.092 0.804 0.905 0.958 0.833 CB 1.399 25 residues pruned to eliminate duplicates Z: 25 37.803 2.103 0.748 0.894 1.000 0.708 CB 1.506 25 residues pruned to eliminate duplicates Z: 82 38.565 1.924 0.723 0.706 0.901 0.494 CB 1.189 82 residues pruned to eliminate duplicates Z: 25 36.123 2.097 0.685 0.916 1.000 0.833 CB 1.474 25 residues pruned to eliminate duplicates Z: 25 38.603 2.084 0.812 0.914 1.000 0.833 CB 1.476 25 residues pruned to eliminate duplicates Z: 24 30.318 2.033 0.878 0.800 0.913 0.696 CB 1.396 24 residues pruned to eliminate duplicates Z: 24 36.773 2.076 0.810 0.919 1.000 0.957 CB 1.438 24 residues pruned to eliminate duplicates Z: 24 38.470 2.116 0.877 0.890 1.000 0.870 CB 1.453 24 residues pruned to eliminate duplicates Z: 25 38.704 2.101 0.956 0.918 0.958 0.708 CB 1.414 25 residues pruned to eliminate duplicates Z: 25 37.455 2.095 0.853 0.918 1.000 0.792 CB 1.389 25 residues pruned to eliminate duplicates Z: 24 39.387 2.122 0.838 0.921 1.000 0.870 CB 1.483 24 residues pruned to eliminate duplicates Z: 25 38.125 2.112 0.797 0.921 1.000 0.833 CB 1.443 25 residues pruned to eliminate duplicates Z: 25 37.098 2.082 0.875 0.923 1.000 0.750 CB 1.363 25 residues pruned to eliminate duplicates Z: 27 37.961 2.076 0.956 0.908 1.000 0.769 CB 1.302 29 residues pruned to eliminate duplicates Z: 26 35.824 2.065 0.892 0.919 1.000 0.800 CB 1.293 26 residues pruned to eliminate duplicates Z: 25 40.213 2.103 0.893 0.927 1.000 0.708 CB 1.444 25 residues pruned to eliminate duplicates Z: 25 43.491 2.100 1.052 0.915 1.000 0.917 CB 1.455 27 residues pruned to eliminate duplicates Z: 27 35.383 2.035 0.831 0.918 1.000 0.808 CB 1.314 27 residues pruned to eliminate duplicates Z: 23 42.362 2.077 1.130 0.905 1.000 0.591 CB 1.452 23 residues pruned to eliminate duplicates Z: 27 35.229 2.041 0.957 0.902 0.962 0.846 CB 1.283 27 residues pruned to eliminate duplicates Z: 27 37.709 2.058 1.061 0.882 0.962 0.692 CB 1.312 27 residues pruned to eliminate duplicates Z: 25 41.941 2.085 1.047 0.922 1.000 0.750 CB 1.410 24 residues pruned to eliminate duplicates 379 residues left after pruning, divided into chains as follows: A: 106 B: 83 C: 31 D: 159 CC for partial structure against native data = 46.80 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.458, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.524, Connect. = 0.731 for dens.mod. cycle 2 = 0.300, Contrast = 0.623, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.632, Connect. = 0.754 for dens.mod. cycle 4 = 0.300, Contrast = 0.643, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.647, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.652, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.654, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.656, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.656, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1275 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 378 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 32.916 2.072 1.079 0.927 1.000 0.643 CB 1.431 B: 17 24.819 2.058 0.575 0.876 0.938 0.875 CB 1.484 C: 24 39.206 2.134 0.747 0.934 1.000 0.870 CB 1.530 D: 24 30.597 2.081 0.656 0.890 1.000 0.870 CB 1.332 E: 15 26.254 2.124 0.643 0.886 1.000 0.857 CB 1.450 16 residues pruned to eliminate duplicates F: 23 27.659 2.017 0.555 0.943 0.955 0.955 CB 1.365 23 residues pruned to eliminate duplicates G: 23 43.559 2.194 0.979 0.924 0.955 0.864 CB 1.574 24 residues pruned to eliminate duplicates H: 16 26.530 2.101 0.594 0.889 1.000 0.867 CB 1.473 16 residues pruned to eliminate duplicates I: 25 26.711 2.000 0.600 0.848 0.958 0.833 CB 1.319 24 residues pruned to eliminate duplicates J: 15 26.314 2.027 0.803 0.904 0.929 0.786 CB 1.476 15 residues pruned to eliminate duplicates K: 15 31.674 2.168 0.908 0.937 1.000 0.857 CB 1.424 16 residues pruned to eliminate duplicates L: 25 37.515 2.100 0.745 0.928 1.000 0.875 CB 1.463 M: 17 26.063 1.998 0.653 0.913 0.938 0.812 CA 1.489 16 residues pruned to eliminate duplicates N: 16 22.771 2.098 0.333 0.920 1.000 0.733 CB 1.480 16 residues pruned to eliminate duplicates O: 23 47.551 2.186 1.049 0.938 1.000 0.864 CB 1.573 23 residues pruned to eliminate duplicates P: 13 14.830 1.928 0.039 0.923 1.000 1.000 CB 1.501 Q: 23 32.696 2.149 0.461 0.937 1.000 1.000 CB 1.545 22 residues pruned to eliminate duplicates R: 25 38.188 2.122 0.760 0.916 1.000 0.792 CB 1.474 25 residues pruned to eliminate duplicates S: 25 37.130 2.068 0.730 0.887 1.000 0.875 CB 1.527 25 residues pruned to eliminate duplicates T: 19 19.712 1.868 0.492 0.859 0.944 0.778 CB 1.299 U: 9 21.443 1.982 0.693 0.880 1.000 0.750 N 1.638 V: 25 28.210 1.932 0.558 0.890 0.958 0.833 CB 1.436 W: 25 27.153 1.928 0.516 0.862 0.958 0.750 CB 1.452 25 residues pruned to eliminate duplicates X: 16 28.369 2.028 0.659 0.926 1.000 0.867 CB 1.526 16 residues pruned to eliminate duplicates Y: 26 30.994 2.041 0.639 0.902 0.960 0.840 CB 1.377 26 residues pruned to eliminate duplicates Z: 24 36.941 2.135 0.786 0.926 0.957 0.826 CB 1.481 24 residues pruned to eliminate duplicates Z: 24 41.571 2.154 0.869 0.919 1.000 0.739 CB 1.517 24 residues pruned to eliminate duplicates Z: 25 37.813 2.073 0.747 0.932 1.000 0.792 CB 1.489 25 residues pruned to eliminate duplicates Z: 24 30.943 2.068 0.627 0.895 1.000 0.870 CB 1.375 25 residues pruned to eliminate duplicates Z: 25 25.577 2.062 0.457 0.832 0.958 0.833 CB 1.362 25 residues pruned to eliminate duplicates Z: 25 31.298 1.945 0.607 0.918 1.000 0.833 CB 1.442 25 residues pruned to eliminate duplicates Z: 26 32.594 2.050 0.598 0.917 1.000 0.920 CB 1.404 26 residues pruned to eliminate duplicates Z: 24 26.854 2.070 0.540 0.903 1.000 0.826 CB 1.252 24 residues pruned to eliminate duplicates Z: 23 26.180 2.106 0.202 0.939 1.000 0.955 CB 1.531 23 residues pruned to eliminate duplicates Z: 25 43.048 2.101 1.034 0.915 1.000 0.792 CB 1.454 25 residues pruned to eliminate duplicates Z: 16 27.701 2.085 0.732 0.856 1.000 0.867 CB 1.460 16 residues pruned to eliminate duplicates Z: 16 25.640 2.139 0.817 0.911 0.933 0.733 CB 1.293 16 residues pruned to eliminate duplicates Z: 27 29.711 2.008 0.608 0.909 0.962 0.769 CB 1.333 27 residues pruned to eliminate duplicates Z: 29 31.762 1.800 0.795 0.906 0.964 0.679 CB 1.370 Z: 20 19.953 1.710 0.755 0.806 0.895 0.632 CB 1.306 20 residues pruned to eliminate duplicates Z: 20 21.646 1.787 0.626 0.860 0.947 0.737 CB 1.326 13 residues pruned to eliminate duplicates Z: 24 36.411 2.098 0.665 0.927 1.000 0.826 CB 1.523 24 residues pruned to eliminate duplicates Z: 26 28.038 1.915 0.536 0.878 0.960 0.760 CB 1.441 26 residues pruned to eliminate duplicates Z: 12 19.468 1.947 0.578 0.883 0.909 0.727 CA 1.520 9 residues pruned to eliminate duplicates Z: 25 29.035 1.942 0.537 0.914 0.958 0.917 CB 1.465 25 residues pruned to eliminate duplicates Z: 16 18.488 1.866 0.375 0.903 0.933 0.867 CB 1.422 17 residues pruned to eliminate duplicates Z: 28 33.784 2.006 0.854 0.897 0.963 0.889 CB 1.300 28 residues pruned to eliminate duplicates Z: 25 32.141 1.922 0.718 0.888 1.000 0.750 CB 1.432 25 residues pruned to eliminate duplicates Z: 13 16.662 1.852 0.559 0.810 0.833 0.667 CA 1.526 13 residues pruned to eliminate duplicates Z: 26 36.370 2.057 0.800 0.907 0.960 0.720 CB 1.454 25 residues pruned to eliminate duplicates Z: 24 36.760 2.107 0.747 0.914 1.000 0.870 CB 1.473 24 residues pruned to eliminate duplicates Z: 17 24.251 2.050 0.386 0.903 1.000 0.938 CB 1.522 17 residues pruned to eliminate duplicates Z: 16 18.045 1.921 0.195 0.911 1.000 0.933 CB 1.439 16 residues pruned to eliminate duplicates Z: 11 15.292 1.979 0.234 0.841 0.900 0.800 CA 1.640 11 residues pruned to eliminate duplicates Z: 26 32.715 2.067 0.509 0.907 1.000 0.880 CB 1.491 26 residues pruned to eliminate duplicates Z: 25 28.569 2.049 0.710 0.879 0.917 0.708 CB 1.317 25 residues pruned to eliminate duplicates Z: 20 30.789 1.886 0.859 0.882 1.000 0.842 CA 1.458 20 residues pruned to eliminate duplicates Z: 18 26.697 1.952 0.627 0.932 1.000 0.941 CB 1.423 19 residues pruned to eliminate duplicates Z: 30 24.040 1.838 0.767 0.855 0.931 0.690 CB 1.090 18 residues pruned to eliminate duplicates Z: 26 27.453 1.893 0.546 0.905 0.960 0.840 CB 1.391 26 residues pruned to eliminate duplicates Z: 26 29.773 2.064 0.439 0.906 1.000 0.920 CB 1.426 26 residues pruned to eliminate duplicates Z: 25 30.890 2.076 0.581 0.911 0.958 0.875 CB 1.421 25 residues pruned to eliminate duplicates Z: 24 20.546 1.968 0.250 0.906 0.957 0.870 CB 1.294 24 residues pruned to eliminate duplicates Z: 16 26.621 2.180 0.628 0.897 0.933 0.867 CB 1.485 15 residues pruned to eliminate duplicates Z: 14 21.513 1.877 0.702 0.835 0.923 0.769 CB 1.516 12 residues pruned to eliminate duplicates Z: 19 24.535 1.962 0.759 0.916 0.944 0.778 CB 1.253 19 residues pruned to eliminate duplicates Z: 26 29.200 1.898 0.673 0.882 0.960 0.840 CB 1.386 26 residues pruned to eliminate duplicates Z: 12 20.512 1.787 0.775 0.866 1.000 0.909 N 1.427 12 residues pruned to eliminate duplicates Z: 26 28.690 1.932 0.472 0.882 1.000 0.840 CB 1.460 25 residues pruned to eliminate duplicates Z: 23 24.245 2.022 0.461 0.915 1.000 0.864 CB 1.236 23 residues pruned to eliminate duplicates Z: 24 36.960 2.147 0.601 0.908 1.000 0.913 CB 1.592 24 residues pruned to eliminate duplicates Z: 26 34.986 2.041 0.724 0.903 0.960 0.920 CB 1.476 26 residues pruned to eliminate duplicates Z: 19 19.252 1.896 0.199 0.936 0.944 0.944 CB 1.472 Z: 21 24.748 1.814 0.733 0.897 0.950 0.650 CA 1.326 20 residues pruned to eliminate duplicates Z: 26 20.410 1.755 0.540 0.881 1.000 0.640 CB 1.093 Z: 15 27.731 2.063 0.607 0.933 1.000 0.786 CB 1.559 15 residues pruned to eliminate duplicates Z: 14 22.949 1.969 0.578 0.899 1.000 0.846 CA 1.464 14 residues pruned to eliminate duplicates Z: 25 38.886 2.085 0.973 0.938 1.000 0.792 CB 1.342 25 residues pruned to eliminate duplicates Z: 10 18.221 1.933 0.842 0.889 0.889 0.667 CB 1.381 10 residues pruned to eliminate duplicates Z: 15 15.679 2.071 -0.040 0.908 1.000 0.929 CA 1.497 15 residues pruned to eliminate duplicates Z: 27 17.522 1.683 0.487 0.869 0.923 0.808 CB 1.087 Z: 28 29.116 1.868 1.141 0.859 1.000 0.519 CB 1.031 17 residues pruned to eliminate duplicates Z: 26 27.768 1.871 0.682 0.881 0.960 0.840 CB 1.331 26 residues pruned to eliminate duplicates Z: 20 20.633 1.916 0.345 0.918 1.000 0.895 CB 1.295 19 residues pruned to eliminate duplicates Z: 9 8.927 1.962 0.022 0.908 1.000 1.000 CB 1.118 Z: 21 16.989 1.728 0.373 0.832 0.900 0.750 CB 1.336 21 residues pruned to eliminate duplicates Z: 16 30.897 2.039 0.818 0.935 1.000 0.800 CB 1.500 16 residues pruned to eliminate duplicates Z: 10 12.900 1.707 0.559 0.877 1.000 0.889 CB 1.173 Z: 23 24.736 1.797 0.698 0.847 0.955 0.727 CB 1.344 23 residues pruned to eliminate duplicates Z: 23 33.462 2.100 0.541 0.901 1.000 0.818 CB 1.574 23 residues pruned to eliminate duplicates Z: 24 22.783 1.815 0.971 0.878 0.957 0.522 CB 1.008 23 residues pruned to eliminate duplicates Z: 26 22.249 1.860 0.690 0.854 0.840 0.600 CB 1.245 26 residues pruned to eliminate duplicates Z: 11 13.986 1.665 0.580 0.859 0.900 0.800 CA 1.374 Z: 24 27.898 1.878 0.471 0.902 1.000 0.826 CB 1.502 24 residues pruned to eliminate duplicates Z: 28 21.304 1.734 0.520 0.844 0.963 0.741 CB 1.202 26 residues pruned to eliminate duplicates Z: 24 31.038 2.098 0.837 0.888 0.957 0.826 CB 1.265 23 residues pruned to eliminate duplicates Z: 23 26.455 2.028 0.452 0.922 1.000 0.864 CB 1.347 23 residues pruned to eliminate duplicates Z: 23 24.054 1.806 0.512 0.925 1.000 0.909 CA 1.318 23 residues pruned to eliminate duplicates Z: 29 19.998 1.752 0.475 0.861 0.929 0.714 CB 1.157 29 residues pruned to eliminate duplicates Z: 16 20.937 1.863 0.748 0.864 0.933 0.800 CB 1.304 16 residues pruned to eliminate duplicates Z: 24 40.491 2.105 0.917 0.930 1.000 0.913 CB 1.463 24 residues pruned to eliminate duplicates Z: 20 28.408 1.944 0.622 0.920 1.000 0.842 CB 1.455 19 residues pruned to eliminate duplicates Z: 16 32.290 1.997 0.993 0.928 1.000 0.867 CB 1.467 16 residues pruned to eliminate duplicates Z: 25 14.633 1.640 0.363 0.865 0.958 0.583 CB 1.022 25 residues pruned to eliminate duplicates Z: 18 17.130 1.797 0.332 0.844 1.000 0.765 CB 1.291 18 residues pruned to eliminate duplicates Z: 24 35.853 2.105 0.673 0.885 1.000 0.826 CB 1.533 24 residues pruned to eliminate duplicates Z: 17 27.771 2.088 0.669 0.896 1.000 0.875 CB 1.427 17 residues pruned to eliminate duplicates Z: 26 27.585 1.929 0.589 0.831 0.960 0.800 CB 1.410 26 residues pruned to eliminate duplicates Z: 17 25.092 2.073 0.395 0.874 1.000 0.875 CB 1.578 17 residues pruned to eliminate duplicates Z: 15 14.297 1.853 0.728 0.618 0.929 0.643 CB 1.150 10 residues pruned to eliminate duplicates Z: 10 12.902 1.815 0.749 0.917 1.000 0.778 CB 0.956 12 residues pruned to eliminate duplicates Z: 14 22.308 1.896 0.563 0.832 1.000 0.692 CA 1.568 14 residues pruned to eliminate duplicates Z: 13 18.014 1.887 0.477 0.841 0.917 0.583 CB 1.518 13 residues pruned to eliminate duplicates Z: 18 21.290 1.880 0.425 0.919 1.000 0.941 CB 1.358 18 residues pruned to eliminate duplicates Z: 16 27.033 1.987 0.788 0.898 1.000 0.800 CB 1.405 16 residues pruned to eliminate duplicates Z: 19 24.425 1.931 0.597 0.906 0.944 0.778 CB 1.406 19 residues pruned to eliminate duplicates Z: 27 33.205 2.052 0.628 0.921 1.000 0.808 CB 1.372 27 residues pruned to eliminate duplicates Z: 16 31.698 2.039 0.855 0.910 1.000 0.800 CB 1.534 16 residues pruned to eliminate duplicates Z: 17 27.599 1.806 0.900 0.928 1.000 0.812 CB 1.408 17 residues pruned to eliminate duplicates Z: 20 29.693 1.892 0.646 0.940 1.000 0.947 CB 1.519 20 residues pruned to eliminate duplicates Z: 16 28.282 2.021 0.669 0.923 1.000 0.600 CA 1.521 16 residues pruned to eliminate duplicates Z: 24 41.765 2.152 0.890 0.926 1.000 0.913 CB 1.502 24 residues pruned to eliminate duplicates Z: 9 12.263 1.773 0.769 0.741 1.000 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 25 43.902 2.074 0.959 0.911 1.000 0.875 CB 1.564 25 residues pruned to eliminate duplicates Z: 14 14.713 1.805 0.451 0.831 0.923 0.769 CB 1.268 14 residues pruned to eliminate duplicates Z: 20 15.294 1.698 0.531 0.850 0.947 0.632 CB 1.054 20 residues pruned to eliminate duplicates Z: 16 29.205 2.094 0.723 0.905 1.000 0.933 CB 1.488 16 residues pruned to eliminate duplicates Z: 16 24.022 1.968 0.620 0.910 1.000 0.933 CA 1.380 17 residues pruned to eliminate duplicates Z: 18 26.992 1.919 0.765 0.911 1.000 0.941 CB 1.369 18 residues pruned to eliminate duplicates Z: 26 16.973 1.660 0.401 0.894 1.000 0.800 CB 1.047 26 residues pruned to eliminate duplicates Z: 25 28.958 2.009 0.677 0.892 0.958 0.833 CB 1.315 25 residues pruned to eliminate duplicates Z: 26 19.959 1.732 0.425 0.853 0.920 0.680 CB 1.300 26 residues pruned to eliminate duplicates Z: 28 31.989 1.826 0.684 0.910 1.000 0.852 CA 1.421 28 residues pruned to eliminate duplicates Z: 27 29.679 2.017 0.602 0.901 0.962 0.923 CB 1.338 27 residues pruned to eliminate duplicates Z: 20 25.286 1.944 0.419 0.917 1.000 0.895 CB 1.483 20 residues pruned to eliminate duplicates Z: 7 8.648 1.731 0.334 0.838 1.000 0.833 CB 1.143 Z: 27 17.414 1.700 0.436 0.846 0.962 0.654 CB 1.082 27 residues pruned to eliminate duplicates Z: 20 14.873 1.829 0.287 0.845 0.895 0.895 CB 1.205 20 residues pruned to eliminate duplicates Z: 11 11.204 1.610 0.463 0.838 1.000 0.800 CB 1.124 11 residues pruned to eliminate duplicates Z: 27 19.035 1.699 0.575 0.841 0.962 0.731 CB 1.082 27 residues pruned to eliminate duplicates Z: 21 27.241 1.893 1.037 0.864 0.900 0.550 CB 1.287 21 residues pruned to eliminate duplicates Z: 22 11.827 1.904 0.198 0.656 0.952 0.810 CB 1.027 27 residues pruned to eliminate duplicates Z: 31 33.345 1.911 0.758 0.855 0.867 0.667 CB 1.543 33 residues pruned to eliminate duplicates Z: 9 9.171 1.987 0.164 0.904 1.000 1.000 CB 0.998 9 residues pruned to eliminate duplicates Z: 20 22.750 1.983 0.624 0.827 0.947 0.632 CB 1.288 20 residues pruned to eliminate duplicates Z: 18 28.329 1.979 0.578 0.939 1.000 0.824 CB 1.529 18 residues pruned to eliminate duplicates Z: 19 18.962 1.860 0.583 0.863 1.000 0.778 CB 1.113 19 residues pruned to eliminate duplicates Z: 29 29.511 1.756 0.688 0.862 1.000 0.857 CB 1.381 27 residues pruned to eliminate duplicates Z: 25 23.841 1.964 0.307 0.865 0.958 0.917 CA 1.450 25 residues pruned to eliminate duplicates Z: 25 29.714 2.056 0.901 0.881 0.917 0.625 CB 1.225 24 residues pruned to eliminate duplicates Z: 26 36.536 1.873 1.062 0.933 1.000 0.560 CB 1.320 30 residues pruned to eliminate duplicates Z: 23 34.726 2.033 0.725 0.893 1.000 0.773 CB 1.515 23 residues pruned to eliminate duplicates Z: 21 13.980 1.691 0.291 0.857 0.950 0.900 CB 1.111 21 residues pruned to eliminate duplicates Z: 25 23.316 1.987 0.393 0.838 1.000 0.750 CB 1.285 25 residues pruned to eliminate duplicates Z: 26 18.337 1.742 0.279 0.860 0.960 0.840 CB 1.261 26 residues pruned to eliminate duplicates Z: 25 47.045 2.078 1.133 0.906 1.000 0.625 CB 1.541 25 residues pruned to eliminate duplicates Z: 18 19.488 1.881 0.586 0.905 1.000 0.941 CB 1.127 18 residues pruned to eliminate duplicates Z: 16 23.124 1.940 0.749 0.888 0.933 0.800 CB 1.358 16 residues pruned to eliminate duplicates Z: 8 13.094 1.833 0.385 0.901 1.000 1.000 CB 1.391 8 residues pruned to eliminate duplicates Z: 22 14.910 1.749 0.495 0.818 0.857 0.714 CB 1.102 22 residues pruned to eliminate duplicates Z: 16 27.766 2.175 0.657 0.929 0.933 0.867 CB 1.492 16 residues pruned to eliminate duplicates Z: 22 21.809 1.802 0.393 0.895 1.000 0.810 CA 1.359 22 residues pruned to eliminate duplicates Z: 26 28.894 2.067 0.485 0.926 0.960 0.840 CB 1.376 26 residues pruned to eliminate duplicates Z: 29 28.514 1.825 1.014 0.872 0.821 0.393 CB 1.301 29 residues pruned to eliminate duplicates Z: 13 10.803 1.696 0.600 0.876 0.917 0.583 CB 0.912 13 residues pruned to eliminate duplicates Z: 21 21.432 1.833 0.792 0.883 1.000 0.700 CB 1.055 21 residues pruned to eliminate duplicates Z: 7 9.350 1.966 0.340 0.810 1.000 0.833 CB 1.106 7 residues pruned to eliminate duplicates Z: 26 20.520 1.749 0.680 0.836 0.960 0.680 CB 1.089 28 residues pruned to eliminate duplicates Z: 13 12.538 1.746 0.468 0.881 0.750 0.583 CB 1.364 13 residues pruned to eliminate duplicates Z: 10 6.216 1.645 0.178 0.543 0.889 0.556 CB 1.153 6 residues pruned to eliminate duplicates Z: 30 32.156 1.905 1.039 0.888 0.966 0.517 CB 1.147 30 residues pruned to eliminate duplicates Z: 6 5.256 1.572 0.454 0.661 0.800 0.600 CB 1.107 7 residues pruned to eliminate duplicates Z: 27 21.793 1.786 0.539 0.842 0.885 0.731 CB 1.310 27 residues pruned to eliminate duplicates Z: 10 11.054 1.683 0.655 0.791 0.889 0.667 CB 1.153 10 residues pruned to eliminate duplicates Z: 15 27.239 2.101 0.839 0.935 0.929 0.786 CB 1.414 15 residues pruned to eliminate duplicates Z: 25 24.707 1.824 0.395 0.893 1.000 0.917 CB 1.424 24 residues pruned to eliminate duplicates Z: 25 28.079 2.031 0.579 0.875 1.000 0.792 CB 1.300 25 residues pruned to eliminate duplicates Z: 26 33.726 2.072 0.670 0.921 0.960 0.880 CB 1.429 26 residues pruned to eliminate duplicates Z: 27 24.953 1.866 0.862 0.824 0.923 0.654 CB 1.152 28 residues pruned to eliminate duplicates Z: 8 7.357 1.640 0.353 0.548 0.857 0.714 O 1.395 8 residues pruned to eliminate duplicates Z: 12 16.713 1.915 0.522 0.870 0.909 0.727 CB 1.388 12 residues pruned to eliminate duplicates Z: 25 41.549 2.075 0.931 0.904 1.000 0.792 CB 1.508 25 residues pruned to eliminate duplicates Z: 10 12.175 1.735 0.522 0.854 0.889 0.778 CB 1.277 10 residues pruned to eliminate duplicates Z: 19 23.270 1.939 0.378 0.930 1.000 0.833 CB 1.435 19 residues pruned to eliminate duplicates Z: 11 13.498 1.552 0.605 0.837 1.000 0.900 CA 1.281 11 residues pruned to eliminate duplicates Z: 13 8.873 1.490 0.245 0.827 1.000 0.667 CA 1.041 13 residues pruned to eliminate duplicates Z: 25 25.437 2.064 0.465 0.823 0.958 0.792 CB 1.354 25 residues pruned to eliminate duplicates Z: 20 27.746 1.894 0.515 0.934 1.000 0.947 CB 1.547 20 residues pruned to eliminate duplicates Z: 9 12.490 1.763 0.320 0.870 1.000 0.750 CA 1.386 9 residues pruned to eliminate duplicates Z: 24 41.062 2.143 0.894 0.944 1.000 0.870 CB 1.461 24 residues pruned to eliminate duplicates Z: 24 41.753 2.159 0.772 0.930 1.000 0.870 CB 1.592 24 residues pruned to eliminate duplicates Z: 27 18.312 1.954 0.546 0.564 0.962 0.615 CB 1.162 20 residues pruned to eliminate duplicates Z: 10 12.092 1.861 0.518 0.885 1.000 1.000 CB 1.030 14 residues pruned to eliminate duplicates Z: 25 26.494 1.979 0.552 0.926 1.000 0.792 CB 1.235 25 residues pruned to eliminate duplicates Z: 25 27.480 2.027 0.381 0.867 1.000 0.875 CB 1.466 25 residues pruned to eliminate duplicates Z: 16 16.912 1.757 0.665 0.856 1.000 0.867 CA 1.101 16 residues pruned to eliminate duplicates Z: 10 13.544 1.770 0.442 0.865 1.000 1.000 CA 1.297 10 residues pruned to eliminate duplicates Z: 27 14.262 1.625 0.223 0.891 0.962 0.846 CB 1.052 27 residues pruned to eliminate duplicates Z: 8 5.604 1.838 -0.212 0.874 1.000 0.857 CB 1.064 8 residues pruned to eliminate duplicates Z: 27 29.485 2.031 0.618 0.909 0.962 0.808 CB 1.299 27 residues pruned to eliminate duplicates Z: 16 21.838 1.906 0.543 0.864 0.933 0.733 CA 1.506 16 residues pruned to eliminate duplicates Z: 24 43.173 2.169 0.837 0.944 1.000 0.913 CB 1.564 24 residues pruned to eliminate duplicates Z: 6 4.351 1.500 0.421 0.537 1.000 0.400 N 0.880 Z: 19 23.996 1.771 0.822 0.839 0.889 0.611 CB 1.473 19 residues pruned to eliminate duplicates Z: 28 16.490 1.760 0.510 0.661 0.852 0.444 CB 1.206 28 residues pruned to eliminate duplicates Z: 26 16.154 1.755 0.453 0.799 0.960 0.680 CB 1.016 26 residues pruned to eliminate duplicates Z: 25 31.564 2.028 0.756 0.885 1.000 0.708 CB 1.306 25 residues pruned to eliminate duplicates Z: 27 21.378 1.673 0.571 0.851 1.000 0.769 CB 1.181 28 residues pruned to eliminate duplicates Z: 21 18.298 1.979 0.143 0.743 1.000 0.850 CB 1.456 21 residues pruned to eliminate duplicates Z: 26 31.460 2.039 0.471 0.911 1.000 1.000 CA 1.487 26 residues pruned to eliminate duplicates Z: 23 28.010 2.052 0.454 0.905 1.000 0.773 CB 1.425 23 residues pruned to eliminate duplicates Z: 19 22.596 1.946 0.261 0.941 1.000 1.000 CB 1.506 19 residues pruned to eliminate duplicates Z: 28 31.267 1.838 0.656 0.924 1.000 0.778 CA 1.389 28 residues pruned to eliminate duplicates Z: 20 27.773 1.927 0.656 0.897 0.947 0.842 CB 1.509 20 residues pruned to eliminate duplicates Z: 18 19.426 1.887 0.227 0.949 1.000 1.000 CA 1.404 18 residues pruned to eliminate duplicates Z: 19 20.182 1.848 0.837 0.877 0.944 0.722 CB 1.078 19 residues pruned to eliminate duplicates Z: 27 17.310 1.683 0.421 0.831 0.923 0.731 CB 1.155 26 residues pruned to eliminate duplicates Z: 22 19.446 1.819 0.860 0.819 0.905 0.571 CB 1.051 22 residues pruned to eliminate duplicates Z: 20 12.230 1.605 0.328 0.878 0.947 0.789 CB 1.008 20 residues pruned to eliminate duplicates Z: 7 9.000 1.593 0.789 0.835 1.000 1.000 CA 0.965 7 residues pruned to eliminate duplicates Z: 26 16.187 1.677 0.405 0.861 0.880 0.720 CB 1.147 26 residues pruned to eliminate duplicates Z: 9 12.683 1.866 1.005 0.923 1.000 0.875 CB 0.842 9 residues pruned to eliminate duplicates Z: 28 26.125 1.850 0.682 0.915 1.000 0.704 CB 1.142 28 residues pruned to eliminate duplicates Z: 13 20.754 1.991 0.572 0.879 1.000 0.750 CA 1.388 13 residues pruned to eliminate duplicates Z: 18 26.190 2.106 0.396 0.871 1.000 1.000 CB 1.577 18 residues pruned to eliminate duplicates Z: 26 17.745 1.744 0.463 0.816 0.920 0.720 CB 1.149 26 residues pruned to eliminate duplicates Z: 15 30.784 1.950 0.911 0.919 1.000 0.714 CB 1.556 15 residues pruned to eliminate duplicates Z: 13 15.459 1.798 0.173 0.920 1.000 0.917 CB 1.490 13 residues pruned to eliminate duplicates Z: 64 36.119 1.928 0.588 0.736 0.952 0.714 CB 1.262 63 residues pruned to eliminate duplicates Z: 24 41.697 2.143 0.919 0.953 0.957 0.826 CB 1.522 24 residues pruned to eliminate duplicates Z: 13 16.467 1.839 0.402 0.848 0.917 0.833 CA 1.492 12 residues pruned to eliminate duplicates Z: 26 26.010 1.817 0.779 0.851 0.880 0.560 CB 1.354 26 residues pruned to eliminate duplicates Z: 25 36.469 2.046 0.934 0.864 1.000 0.875 CB 1.380 25 residues pruned to eliminate duplicates Z: 20 22.091 1.817 0.702 0.857 1.000 0.789 CB 1.208 20 residues pruned to eliminate duplicates Z: 6 2.467 1.393 -0.084 0.536 0.800 0.400 O 1.043 Z: 11 10.429 1.731 0.442 0.756 1.000 0.600 CB 1.052 11 residues pruned to eliminate duplicates Z: 29 35.603 1.737 0.960 0.911 1.000 0.643 CB 1.401 27 residues pruned to eliminate duplicates Z: 11 13.682 1.657 0.577 0.903 0.900 0.800 CA 1.311 11 residues pruned to eliminate duplicates Z: 9 11.299 2.055 0.272 0.920 1.000 0.875 CB 1.076 9 residues pruned to eliminate duplicates Z: 8 6.662 1.737 0.395 0.799 0.714 0.714 CB 1.120 8 residues pruned to eliminate duplicates Z: 26 15.101 1.671 0.429 0.814 0.880 0.640 CB 1.094 26 residues pruned to eliminate duplicates Z: 27 36.139 1.957 1.130 0.874 0.885 0.538 CB 1.398 27 residues pruned to eliminate duplicates Z: 28 20.441 1.785 0.300 0.897 0.926 0.778 CB 1.310 27 residues pruned to eliminate duplicates Z: 12 10.998 1.704 0.565 0.851 1.000 0.727 CB 0.920 12 residues pruned to eliminate duplicates Z: 27 18.055 1.742 0.323 0.850 0.962 0.692 CB 1.183 27 residues pruned to eliminate duplicates 9 1.856 1.508 0.182 0.180 0.625 0.375 CB 0.866 ? Z: 9 4.751 1.543 0.191 0.389 0.875 0.500 CB 1.174 Z: 7 9.641 1.806 0.427 0.835 1.000 1.000 CB 1.144 7 residues pruned to eliminate duplicates Z: 28 31.917 1.872 0.794 0.901 0.926 0.630 CB 1.410 29 residues pruned to eliminate duplicates Z: 12 11.611 1.643 0.402 0.809 0.909 0.818 CB 1.277 12 residues pruned to eliminate duplicates Z: 8 15.527 1.920 0.628 0.892 1.000 1.000 CB 1.349 8 residues pruned to eliminate duplicates Z: 27 19.647 1.708 0.499 0.831 0.962 0.692 CB 1.176 26 residues pruned to eliminate duplicates Z: 20 24.656 2.011 0.468 0.755 1.000 0.789 CB 1.527 20 residues pruned to eliminate duplicates Z: 29 30.265 1.829 0.844 0.894 0.893 0.607 CB 1.363 29 residues pruned to eliminate duplicates Z: 17 24.594 1.932 0.572 0.919 1.000 0.938 CB 1.426 18 residues pruned to eliminate duplicates Z: 12 21.837 1.798 0.866 0.865 1.000 0.455 N 1.438 12 residues pruned to eliminate duplicates Z: 12 19.901 1.855 0.625 0.911 1.000 0.727 CB 1.411 12 residues pruned to eliminate duplicates Z: 11 11.464 1.625 0.428 0.846 0.900 0.800 CA 1.290 11 residues pruned to eliminate duplicates Z: 12 12.497 1.766 0.590 0.873 1.000 0.636 CB 0.977 12 residues pruned to eliminate duplicates Z: 8 9.737 1.749 0.412 0.841 1.000 0.857 CB 1.111 7 residues pruned to eliminate duplicates Z: 22 13.709 1.605 0.668 0.714 0.810 0.571 CB 1.137 22 residues pruned to eliminate duplicates Z: 18 13.776 1.927 0.631 0.600 0.941 0.529 CB 1.026 18 residues pruned to eliminate duplicates Z: 29 28.747 1.909 0.396 0.878 0.964 0.857 CA 1.534 29 residues pruned to eliminate duplicates Z: 7 3.969 1.679 0.411 0.265 1.000 0.333 CB 0.893 Z: 16 19.121 1.970 0.281 0.943 1.000 1.000 CA 1.356 16 residues pruned to eliminate duplicates Z: 22 15.209 1.653 0.424 0.895 0.905 0.714 CB 1.117 23 residues pruned to eliminate duplicates Z: 17 25.377 2.020 0.685 0.836 1.000 0.812 CB 1.395 17 residues pruned to eliminate duplicates Z: 25 33.581 2.083 0.627 0.918 1.000 0.833 CB 1.426 25 residues pruned to eliminate duplicates Z: 13 10.214 1.611 0.334 0.833 0.917 0.583 CB 1.123 12 residues pruned to eliminate duplicates Z: 9 13.275 1.729 0.564 0.872 1.000 0.875 N 1.265 9 residues pruned to eliminate duplicates Z: 10 12.626 1.681 0.602 0.810 0.889 0.778 CB 1.342 10 residues pruned to eliminate duplicates Z: 10 6.557 1.761 0.294 0.551 0.889 0.556 CB 1.026 10 residues pruned to eliminate duplicates Z: 7 11.635 1.794 0.536 0.763 1.000 0.667 CA 1.365 7 residues pruned to eliminate duplicates Z: 26 16.607 1.664 0.569 0.817 0.920 0.520 CB 1.050 26 residues pruned to eliminate duplicates Z: 13 8.398 1.734 0.127 0.682 0.917 0.667 CB 1.146 12 residues pruned to eliminate duplicates Z: 16 24.396 2.045 0.437 0.858 1.000 1.000 CA 1.578 16 residues pruned to eliminate duplicates Z: 16 17.678 1.807 0.331 0.832 1.000 0.800 CB 1.424 17 residues pruned to eliminate duplicates Z: 38 19.918 1.817 0.486 0.598 0.838 0.514 CB 1.318 32 residues pruned to eliminate duplicates Z: 10 11.978 1.713 0.492 0.854 1.000 0.889 CB 1.154 10 residues pruned to eliminate duplicates Z: 14 27.778 1.886 0.945 0.901 1.000 0.538 CA 1.500 14 residues pruned to eliminate duplicates Z: 14 19.479 1.891 0.884 0.869 1.000 0.923 CB 1.108 13 residues pruned to eliminate duplicates Z: 10 16.449 1.945 0.476 0.856 0.889 0.556 CB 1.585 10 residues pruned to eliminate duplicates Z: 21 15.586 1.980 0.553 0.663 0.950 0.650 CB 1.026 21 residues pruned to eliminate duplicates Z: 6 4.397 1.509 0.521 0.347 0.800 0.400 N 1.265 Z: 28 16.875 1.698 0.221 0.815 1.000 0.778 CB 1.191 28 residues pruned to eliminate duplicates Z: 25 21.222 1.878 0.429 0.851 1.000 0.833 CB 1.195 25 residues pruned to eliminate duplicates Z: 7 13.949 1.856 0.621 0.859 1.000 0.667 CB 1.392 7 residues pruned to eliminate duplicates Z: 29 25.263 1.893 0.555 0.824 1.000 0.821 CB 1.225 29 residues pruned to eliminate duplicates Z: 17 24.769 2.086 0.434 0.905 1.000 0.812 CB 1.473 17 residues pruned to eliminate duplicates Z: 26 32.261 2.037 0.534 0.898 1.000 0.800 CB 1.477 26 residues pruned to eliminate duplicates Z: 14 15.991 1.848 0.451 0.694 0.923 0.692 CB 1.501 14 residues pruned to eliminate duplicates Z: 14 26.014 1.934 1.042 0.912 1.000 0.615 CB 1.294 14 residues pruned to eliminate duplicates Z: 8 17.498 1.858 0.947 0.912 1.000 1.000 CB 1.294 10 residues pruned to eliminate duplicates Z: 26 27.501 2.005 0.697 0.882 0.960 0.720 CB 1.218 26 residues pruned to eliminate duplicates Z: 18 25.869 2.097 0.402 0.859 1.000 0.824 CB 1.571 18 residues pruned to eliminate duplicates Z: 7 10.096 1.664 0.571 0.880 1.000 1.000 CA 1.143 8 residues pruned to eliminate duplicates Z: 51 40.314 1.923 0.821 0.806 0.980 0.500 CB 1.273 51 residues pruned to eliminate duplicates Z: 16 22.772 2.085 0.290 0.900 1.000 0.800 CB 1.562 16 residues pruned to eliminate duplicates Z: 29 32.037 1.856 0.799 0.907 0.964 0.714 CB 1.336 29 residues pruned to eliminate duplicates Z: 27 28.138 1.905 0.667 0.881 1.000 0.846 CB 1.258 27 residues pruned to eliminate duplicates 8 1.900 1.315 0.465 0.212 0.714 0.714 CB 0.733 ? Z: 30 26.274 1.910 0.643 0.745 0.931 0.759 CB 1.342 30 residues pruned to eliminate duplicates Z: 9 12.626 1.840 0.481 0.856 1.000 0.875 CB 1.208 8 residues pruned to eliminate duplicates Z: 12 5.102 1.545 0.261 0.408 0.818 0.455 CB 1.063 12 residues pruned to eliminate duplicates Z: 44 33.371 1.880 0.775 0.729 0.907 0.488 CB 1.367 45 residues pruned to eliminate duplicates Z: 19 18.256 1.910 0.780 0.885 0.778 0.444 CB 1.175 19 residues pruned to eliminate duplicates Z: 13 15.402 1.817 0.615 0.894 1.000 0.750 CB 1.088 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 20.905 2.006 0.355 0.853 0.941 0.882 CB 1.465 15 residues pruned to eliminate duplicates Z: 16 20.482 2.043 0.450 0.878 1.000 0.667 CB 1.295 16 residues pruned to eliminate duplicates Z: 25 18.508 1.919 0.514 0.680 0.875 0.625 CB 1.260 25 residues pruned to eliminate duplicates Z: 22 23.436 1.941 0.704 0.771 0.905 0.714 CB 1.345 22 residues pruned to eliminate duplicates Z: 16 28.149 2.192 0.659 0.931 0.933 0.933 CB 1.497 16 residues pruned to eliminate duplicates Z: 21 27.163 1.966 0.826 0.780 0.900 0.800 CB 1.469 21 residues pruned to eliminate duplicates Z: 17 24.145 2.093 0.706 0.857 0.938 0.938 CB 1.329 17 residues pruned to eliminate duplicates Z: 21 26.519 2.027 0.776 0.787 1.000 0.900 CB 1.281 22 residues pruned to eliminate duplicates Z: 16 31.261 2.176 0.807 0.917 1.000 0.733 CB 1.449 16 residues pruned to eliminate duplicates Z: 23 23.283 1.929 0.680 0.704 0.955 0.545 CB 1.333 23 residues pruned to eliminate duplicates Z: 20 25.138 2.003 0.802 0.816 0.895 0.684 CB 1.357 20 residues pruned to eliminate duplicates Z: 21 25.124 1.974 0.694 0.769 0.950 0.750 CB 1.394 21 residues pruned to eliminate duplicates Z: 19 28.187 2.068 0.756 0.860 0.944 0.778 CB 1.424 19 residues pruned to eliminate duplicates Z: 21 30.101 1.980 0.832 0.793 1.000 0.650 CB 1.435 20 residues pruned to eliminate duplicates Z: 16 26.637 2.168 0.840 0.883 0.933 0.533 CB 1.336 16 residues pruned to eliminate duplicates Z: 21 21.908 1.985 0.672 0.770 0.850 0.600 CB 1.367 21 residues pruned to eliminate duplicates Z: 21 24.550 1.967 0.823 0.756 0.900 0.600 CB 1.354 21 residues pruned to eliminate duplicates Z: 20 13.046 1.835 0.531 0.531 0.789 0.421 CB 1.309 20 residues pruned to eliminate duplicates Z: 27 20.001 1.911 0.507 0.648 0.923 0.577 CB 1.285 27 residues pruned to eliminate duplicates Z: 58 28.377 1.933 0.558 0.590 0.912 0.579 CB 1.255 55 residues pruned to eliminate duplicates Z: 9 4.730 1.817 -0.112 0.683 0.875 0.750 CB 1.001 9 residues pruned to eliminate duplicates Z: 47 20.622 1.865 0.292 0.619 0.870 0.630 CB 1.296 47 residues pruned to eliminate duplicates Z: 20 13.854 2.005 0.299 0.704 0.895 0.579 CB 1.133 20 residues pruned to eliminate duplicates Z: 40 23.334 1.925 0.395 0.639 0.897 0.667 CB 1.361 40 residues pruned to eliminate duplicates Z: 29 16.196 1.866 0.444 0.526 0.964 0.714 CB 1.148 29 residues pruned to eliminate duplicates Z: 24 15.768 1.937 0.345 0.615 0.957 0.652 CB 1.183 24 residues pruned to eliminate duplicates Z: 34 19.903 1.936 0.318 0.670 0.939 0.697 CB 1.236 34 residues pruned to eliminate duplicates Z: 37 26.017 1.964 0.511 0.667 0.917 0.667 CB 1.366 37 residues pruned to eliminate duplicates Z: 38 25.008 1.953 0.389 0.686 0.919 0.757 CB 1.391 38 residues pruned to eliminate duplicates Z: 47 27.194 1.889 0.564 0.654 0.935 0.652 CB 1.258 47 residues pruned to eliminate duplicates Z: 25 11.769 1.922 0.269 0.505 0.833 0.708 CB 1.175 25 residues pruned to eliminate duplicates Z: 25 16.380 1.901 0.413 0.586 0.958 0.708 CB 1.196 25 residues pruned to eliminate duplicates Z: 24 15.479 1.873 0.502 0.648 0.957 0.696 CB 1.045 24 residues pruned to eliminate duplicates Z: 13 10.269 1.998 0.569 0.534 0.917 0.750 CB 0.997 13 residues pruned to eliminate duplicates Z: 38 26.351 1.973 0.565 0.660 0.919 0.811 CB 1.316 38 residues pruned to eliminate duplicates Z: 21 18.607 2.020 0.474 0.691 1.000 0.800 CB 1.174 21 residues pruned to eliminate duplicates Z: 40 21.913 1.885 0.377 0.674 0.974 0.821 CB 1.182 40 residues pruned to eliminate duplicates Z: 27 16.193 1.938 0.561 0.579 0.923 0.615 CB 1.054 27 residues pruned to eliminate duplicates Z: 31 22.106 1.946 0.489 0.592 0.933 0.667 CB 1.367 31 residues pruned to eliminate duplicates Z: 39 31.638 2.001 0.677 0.655 0.974 0.711 CB 1.361 39 residues pruned to eliminate duplicates Z: 35 22.981 1.869 0.587 0.587 0.912 0.794 CB 1.340 35 residues pruned to eliminate duplicates Z: 40 27.653 1.931 0.662 0.631 0.974 0.667 CB 1.252 40 residues pruned to eliminate duplicates Z: 29 21.624 1.953 0.405 0.655 0.893 0.786 CB 1.445 29 residues pruned to eliminate duplicates Z: 31 21.445 1.980 0.611 0.611 1.000 0.700 CB 1.104 31 residues pruned to eliminate duplicates Z: 39 27.038 1.936 0.588 0.679 0.947 0.816 CB 1.278 39 residues pruned to eliminate duplicates Z: 40 26.614 1.940 0.544 0.631 0.923 0.692 CB 1.364 40 residues pruned to eliminate duplicates Z: 17 20.185 1.958 0.707 0.725 0.938 0.688 CA 1.315 17 residues pruned to eliminate duplicates Z: 40 27.993 1.924 0.657 0.653 0.974 0.641 CB 1.251 40 residues pruned to eliminate duplicates Z: 42 33.922 1.964 0.802 0.704 0.951 0.659 CB 1.307 42 residues pruned to eliminate duplicates Z: 37 29.649 1.991 0.780 0.661 0.944 0.611 CB 1.271 37 residues pruned to eliminate duplicates Z: 36 24.154 1.937 0.760 0.601 0.857 0.543 CB 1.268 36 residues pruned to eliminate duplicates Z: 46 28.549 1.906 0.676 0.682 0.911 0.644 CB 1.237 46 residues pruned to eliminate duplicates Z: 36 29.627 1.885 0.742 0.719 0.971 0.714 CB 1.288 36 residues pruned to eliminate duplicates Z: 51 34.735 1.895 0.787 0.731 0.980 0.740 CB 1.203 51 residues pruned to eliminate duplicates Z: 33 27.124 1.824 0.696 0.739 0.875 0.656 CB 1.429 33 residues pruned to eliminate duplicates Z: 51 30.923 1.886 0.670 0.710 0.920 0.740 CB 1.247 51 residues pruned to eliminate duplicates Z: 18 19.021 1.789 0.479 0.852 0.882 0.647 CB 1.462 18 residues pruned to eliminate duplicates Z: 36 23.264 1.777 0.801 0.640 0.886 0.543 CB 1.216 36 residues pruned to eliminate duplicates Z: 30 35.321 1.869 0.841 0.856 0.966 0.690 CB 1.456 30 residues pruned to eliminate duplicates Z: 49 35.252 1.936 0.725 0.729 0.938 0.688 CB 1.323 49 residues pruned to eliminate duplicates Z: 14 12.973 1.585 0.475 0.770 0.923 0.385 CA 1.313 14 residues pruned to eliminate duplicates Z: 80 39.593 1.894 0.547 0.715 0.937 0.696 CB 1.335 76 residues pruned to eliminate duplicates Z: 27 33.403 1.878 0.851 0.937 0.962 0.654 CB 1.365 27 residues pruned to eliminate duplicates Z: 39 28.983 1.869 0.693 0.672 0.895 0.553 CB 1.416 39 residues pruned to eliminate duplicates Z: 13 13.989 1.670 0.530 0.734 0.917 0.667 CA 1.397 13 residues pruned to eliminate duplicates Z: 58 36.655 1.911 0.607 0.747 0.947 0.702 CB 1.338 58 residues pruned to eliminate duplicates Z: 49 27.604 1.815 0.438 0.721 0.917 0.667 CB 1.365 49 residues pruned to eliminate duplicates Z: 51 35.833 1.909 0.725 0.750 0.960 0.760 CB 1.283 51 residues pruned to eliminate duplicates Z: 83 44.024 1.908 0.589 0.764 0.976 0.732 CB 1.301 83 residues pruned to eliminate duplicates Z: 16 14.612 1.782 0.378 0.672 0.867 0.800 CA 1.512 16 residues pruned to eliminate duplicates Z: 22 18.140 1.928 0.354 0.812 0.905 0.810 CB 1.277 22 residues pruned to eliminate duplicates Z: 19 17.706 1.899 0.366 0.774 0.889 0.833 CB 1.421 19 residues pruned to eliminate duplicates Z: 30 22.520 1.905 0.447 0.805 0.897 0.759 CB 1.296 30 residues pruned to eliminate duplicates Z: 23 18.902 1.920 0.311 0.751 0.909 0.818 CB 1.408 23 residues pruned to eliminate duplicates Z: 57 33.626 1.844 0.582 0.785 0.911 0.696 CB 1.316 57 residues pruned to eliminate duplicates Z: 47 31.318 1.843 0.512 0.730 0.957 0.652 CB 1.409 47 residues pruned to eliminate duplicates Z: 32 26.745 1.911 0.644 0.732 0.935 0.677 CB 1.327 32 residues pruned to eliminate duplicates Z: 41 31.018 1.853 0.563 0.776 0.975 0.725 CB 1.360 41 residues pruned to eliminate duplicates Z: 26 27.872 1.876 0.728 0.803 1.000 0.880 CB 1.320 26 residues pruned to eliminate duplicates Z: 83 44.469 1.901 0.721 0.749 0.927 0.695 CB 1.297 83 residues pruned to eliminate duplicates Z: 31 23.989 1.864 0.507 0.772 0.967 0.733 CB 1.269 31 residues pruned to eliminate duplicates Z: 28 25.226 1.851 0.803 0.788 0.852 0.556 CB 1.326 28 residues pruned to eliminate duplicates Z: 30 19.812 1.806 0.686 0.676 0.862 0.517 CB 1.192 30 residues pruned to eliminate duplicates Z: 31 24.546 1.908 0.690 0.813 0.967 0.733 CB 1.095 31 residues pruned to eliminate duplicates Z: 27 26.506 1.929 0.730 0.777 0.923 0.692 CB 1.321 27 residues pruned to eliminate duplicates Z: 59 40.496 1.879 0.819 0.827 0.931 0.569 CB 1.258 59 residues pruned to eliminate duplicates Z: 43 16.664 1.691 0.507 0.520 0.833 0.548 CB 1.187 43 residues pruned to eliminate duplicates Z: 34 26.762 1.856 0.795 0.787 0.909 0.667 CB 1.195 34 residues pruned to eliminate duplicates Z: 62 44.901 1.879 0.793 0.816 0.984 0.721 CB 1.318 62 residues pruned to eliminate duplicates Z: 28 26.981 1.882 0.866 0.877 0.889 0.593 CB 1.208 28 residues pruned to eliminate duplicates Z: 30 26.969 1.899 0.697 0.773 0.966 0.655 CB 1.264 30 residues pruned to eliminate duplicates Z: 29 29.329 1.954 0.678 0.839 0.964 0.821 CB 1.310 30 residues pruned to eliminate duplicates Z: 13 10.826 1.730 0.592 0.858 0.833 0.667 CB 1.003 9 residues pruned to eliminate duplicates Z: 10 13.644 1.890 0.836 0.926 1.000 0.889 CB 0.919 13 residues pruned to eliminate duplicates Z: 10 11.155 1.877 0.555 0.917 1.000 0.778 CB 0.899 10 residues pruned to eliminate duplicates Z: 31 23.421 1.798 0.707 0.678 0.933 0.700 CB 1.267 31 residues pruned to eliminate duplicates Z: 81 46.869 1.918 0.689 0.761 0.975 0.738 CB 1.316 81 residues pruned to eliminate duplicates Z: 80 40.253 1.886 0.653 0.743 0.949 0.696 CB 1.231 80 residues pruned to eliminate duplicates Z: 11 10.237 1.807 0.577 0.864 0.900 0.700 CB 0.926 11 residues pruned to eliminate duplicates Z: 84 44.920 1.903 0.765 0.737 0.928 0.675 CB 1.279 84 residues pruned to eliminate duplicates Z: 30 28.564 1.930 0.625 0.876 1.000 0.759 CB 1.230 30 residues pruned to eliminate duplicates Z: 34 25.267 1.837 0.647 0.776 0.879 0.697 CB 1.297 34 residues pruned to eliminate duplicates Z: 7 3.733 1.573 0.087 0.623 0.833 0.500 CB 0.952 7 residues pruned to eliminate duplicates Z: 6 3.559 1.358 0.260 0.601 1.000 0.400 CB 0.845 6 residues pruned to eliminate duplicates Z: 21 9.141 1.535 0.451 0.567 0.850 0.350 CB 1.013 21 residues pruned to eliminate duplicates Z: 13 7.732 1.609 0.407 0.629 0.750 0.583 CB 1.165 13 residues pruned to eliminate duplicates Z: 19 9.186 1.558 0.258 0.677 0.889 0.389 CB 1.055 19 residues pruned to eliminate duplicates Z: 12 5.982 1.520 0.370 0.503 0.727 0.545 CB 1.187 12 residues pruned to eliminate duplicates Z: 13 7.680 1.609 0.433 0.723 0.833 0.667 CB 0.944 13 residues pruned to eliminate duplicates Z: 14 4.960 1.592 0.246 0.521 0.615 0.462 CB 1.104 14 residues pruned to eliminate duplicates Z: 6 4.047 1.767 0.101 0.520 0.800 0.600 N 1.140 6 residues pruned to eliminate duplicates Z: 17 12.133 1.720 0.332 0.778 0.812 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 15 8.918 1.612 0.268 0.632 0.929 0.357 CB 1.109 15 residues pruned to eliminate duplicates Z: 11 5.799 1.335 0.540 0.697 0.700 0.400 N 1.065 11 residues pruned to eliminate duplicates Z: 14 11.868 1.698 0.544 0.765 1.000 0.615 CB 0.992 14 residues pruned to eliminate duplicates Z: 11 15.383 1.884 0.679 0.775 1.000 0.600 CB 1.206 11 residues pruned to eliminate duplicates Z: 13 8.631 1.795 0.268 0.712 0.917 0.583 CB 0.985 13 residues pruned to eliminate duplicates Z: 24 16.711 1.709 0.418 0.801 0.913 0.696 CB 1.211 24 residues pruned to eliminate duplicates Z: 12 13.455 1.842 0.642 0.666 0.909 0.545 CB 1.266 12 residues pruned to eliminate duplicates Z: 11 10.288 1.868 0.589 0.700 0.800 0.500 CB 1.142 11 residues pruned to eliminate duplicates Z: 16 9.092 1.745 0.442 0.562 0.800 0.333 CB 1.099 16 residues pruned to eliminate duplicates Z: 17 14.256 1.702 0.582 0.748 0.938 0.750 CB 1.132 17 residues pruned to eliminate duplicates Z: 12 12.807 1.820 0.612 0.681 0.909 0.818 CB 1.226 12 residues pruned to eliminate duplicates Z: 16 12.975 1.724 0.727 0.618 0.933 0.600 CB 1.078 16 residues pruned to eliminate duplicates Z: 17 9.178 1.638 0.447 0.617 0.875 0.625 CB 0.990 17 residues pruned to eliminate duplicates Z: 24 11.343 1.704 0.473 0.618 0.826 0.435 CB 1.021 24 residues pruned to eliminate duplicates Z: 43 35.493 2.003 0.665 0.799 0.952 0.690 CB 1.328 37 residues pruned to eliminate duplicates Z: 26 28.295 2.102 0.430 0.782 1.000 0.800 CB 1.469 26 residues pruned to eliminate duplicates Z: 27 30.659 2.093 0.458 0.844 1.000 0.885 CB 1.466 27 residues pruned to eliminate duplicates Z: 28 32.223 2.085 0.620 0.768 0.963 0.852 CB 1.504 28 residues pruned to eliminate duplicates Z: 27 33.112 2.109 0.514 0.799 1.000 0.885 CB 1.566 27 residues pruned to eliminate duplicates Z: 28 29.238 2.080 0.536 0.756 0.963 0.741 CB 1.456 28 residues pruned to eliminate duplicates Z: 30 30.744 2.066 0.615 0.760 0.966 0.828 CB 1.406 30 residues pruned to eliminate duplicates Z: 30 34.496 2.067 0.710 0.784 0.966 0.862 CB 1.462 30 residues pruned to eliminate duplicates Z: 27 35.843 2.105 0.639 0.812 1.000 0.962 CB 1.553 27 residues pruned to eliminate duplicates Z: 28 33.254 2.070 0.602 0.817 0.963 0.815 CB 1.522 28 residues pruned to eliminate duplicates Z: 27 35.652 2.132 0.676 0.817 0.962 0.846 CB 1.545 27 residues pruned to eliminate duplicates Z: 27 36.182 2.102 0.770 0.796 1.000 0.731 CB 1.472 27 residues pruned to eliminate duplicates Z: 26 37.342 2.136 0.808 0.813 1.000 0.680 CB 1.473 26 residues pruned to eliminate duplicates Z: 29 35.256 2.097 0.862 0.791 0.929 0.786 CB 1.423 29 residues pruned to eliminate duplicates Z: 27 39.353 2.150 0.751 0.819 0.962 0.846 CB 1.617 27 residues pruned to eliminate duplicates Z: 28 35.661 2.100 0.732 0.811 0.963 0.815 CB 1.494 28 residues pruned to eliminate duplicates Z: 28 35.470 2.111 0.705 0.792 0.963 0.778 CB 1.525 28 residues pruned to eliminate duplicates Z: 29 36.820 2.076 0.875 0.791 0.964 0.821 CB 1.436 29 residues pruned to eliminate duplicates Z: 29 35.661 2.125 0.722 0.822 0.964 0.821 CB 1.445 29 residues pruned to eliminate duplicates Z: 27 41.019 2.117 0.846 0.817 1.000 0.846 CB 1.562 27 residues pruned to eliminate duplicates Z: 26 36.518 2.153 0.880 0.838 0.920 0.840 CB 1.466 26 residues pruned to eliminate duplicates Z: 30 30.512 2.019 0.715 0.729 0.931 0.621 CB 1.430 30 residues pruned to eliminate duplicates Z: 30 34.197 2.068 0.839 0.755 0.931 0.655 CB 1.430 30 residues pruned to eliminate duplicates Z: 42 34.017 2.003 0.861 0.712 0.878 0.683 CB 1.339 42 residues pruned to eliminate duplicates Z: 30 31.463 2.071 0.802 0.742 0.897 0.724 CB 1.406 30 residues pruned to eliminate duplicates Z: 43 26.055 1.925 0.763 0.658 0.881 0.690 CB 1.161 43 residues pruned to eliminate duplicates Z: 33 30.989 2.020 0.674 0.740 0.969 0.750 CB 1.349 33 residues pruned to eliminate duplicates Z: 9 6.829 1.581 0.353 0.784 0.875 0.875 CB 1.005 9 residues pruned to eliminate duplicates Z: 53 41.173 1.980 0.698 0.735 0.962 0.731 CB 1.430 53 residues pruned to eliminate duplicates Z: 25 27.280 1.924 0.579 0.872 1.000 0.833 CB 1.335 23 residues pruned to eliminate duplicates Z: 26 21.110 1.814 0.474 0.869 0.880 0.840 CB 1.311 26 residues pruned to eliminate duplicates Z: 23 22.654 1.913 0.515 0.805 0.955 0.818 CB 1.337 23 residues pruned to eliminate duplicates Z: 24 22.034 1.860 0.623 0.731 0.870 0.609 CB 1.422 24 residues pruned to eliminate duplicates Z: 26 30.591 1.891 0.814 0.849 0.960 0.760 CB 1.377 25 residues pruned to eliminate duplicates Z: 25 28.578 1.936 0.587 0.906 0.958 0.750 CB 1.409 25 residues pruned to eliminate duplicates Z: 11 12.886 1.773 0.528 0.825 0.900 0.700 CB 1.261 11 residues pruned to eliminate duplicates Z: 25 31.554 1.945 0.758 0.880 0.958 0.625 CB 1.424 26 residues pruned to eliminate duplicates Z: 25 29.511 1.941 0.643 0.895 0.958 0.750 CB 1.413 25 residues pruned to eliminate duplicates Z: 26 30.964 1.927 0.756 0.886 0.960 0.640 CB 1.376 26 residues pruned to eliminate duplicates Z: 21 25.693 1.945 0.631 0.814 0.950 0.500 CB 1.452 21 residues pruned to eliminate duplicates Z: 26 33.306 1.946 0.731 0.909 1.000 0.600 CB 1.404 26 residues pruned to eliminate duplicates Z: 27 28.330 1.888 0.653 0.894 0.962 0.654 CB 1.329 27 residues pruned to eliminate duplicates Z: 27 30.493 1.857 0.682 0.840 1.000 0.769 CB 1.429 27 residues pruned to eliminate duplicates Z: 22 25.147 1.948 0.513 0.845 1.000 0.762 CB 1.384 22 residues pruned to eliminate duplicates Z: 26 31.615 1.910 0.771 0.863 1.000 0.920 CB 1.372 25 residues pruned to eliminate duplicates Z: 26 29.714 1.911 0.646 0.920 0.960 0.840 CB 1.386 26 residues pruned to eliminate duplicates Z: 25 28.790 1.883 0.693 0.892 0.958 0.583 CB 1.382 27 residues pruned to eliminate duplicates Z: 10 19.768 2.007 0.600 0.828 1.000 0.556 CA 1.546 9 residues pruned to eliminate duplicates Z: 27 28.320 1.904 0.693 0.882 0.923 0.692 CB 1.351 26 residues pruned to eliminate duplicates Z: 27 25.336 1.832 0.652 0.874 0.885 0.615 CB 1.351 27 residues pruned to eliminate duplicates Z: 26 30.387 1.916 0.676 0.872 0.960 0.720 CB 1.437 26 residues pruned to eliminate duplicates Z: 27 29.081 1.890 0.636 0.839 0.962 0.923 CB 1.433 27 residues pruned to eliminate duplicates Z: 7 16.774 2.020 0.759 0.690 1.000 0.833 CB 1.619 7 residues pruned to eliminate duplicates Z: 17 26.137 2.006 0.763 0.820 1.000 0.688 CB 1.400 17 residues pruned to eliminate duplicates Z: 15 25.752 2.080 0.651 0.830 1.000 0.643 CB 1.506 15 residues pruned to eliminate duplicates Z: 17 27.813 2.075 0.705 0.854 1.000 0.812 CB 1.451 17 residues pruned to eliminate duplicates Z: 35 23.584 1.802 0.561 0.612 0.941 0.676 CB 1.373 27 residues pruned to eliminate duplicates Z: 15 30.766 2.110 0.863 0.927 1.000 0.786 CB 1.467 15 residues pruned to eliminate duplicates Z: 16 34.093 2.106 1.097 0.855 1.000 0.733 CB 1.470 16 residues pruned to eliminate duplicates Z: 16 31.911 2.045 0.954 0.898 1.000 0.867 CB 1.474 16 residues pruned to eliminate duplicates Z: 16 33.741 2.091 1.072 0.882 1.000 0.800 CB 1.455 16 residues pruned to eliminate duplicates Z: 16 28.570 2.028 1.171 0.910 0.933 0.467 CB 1.273 16 residues pruned to eliminate duplicates Z: 16 29.990 2.093 0.858 0.847 1.000 0.667 CB 1.478 16 residues pruned to eliminate duplicates Z: 16 30.087 2.121 0.797 0.853 1.000 0.800 CB 1.506 16 residues pruned to eliminate duplicates Z: 16 32.272 2.097 1.005 0.871 1.000 0.733 CB 1.446 16 residues pruned to eliminate duplicates Z: 18 25.243 1.942 0.933 0.773 0.941 0.706 CB 1.362 18 residues pruned to eliminate duplicates Z: 33 25.054 1.860 0.698 0.716 0.938 0.719 CB 1.230 17 residues pruned to eliminate duplicates Z: 20 25.299 1.859 1.077 0.781 0.947 0.263 CB 1.238 20 residues pruned to eliminate duplicates Z: 30 26.283 1.899 0.847 0.716 0.897 0.552 CB 1.277 32 residues pruned to eliminate duplicates Z: 6 5.640 1.828 0.415 0.337 1.000 0.600 CA 1.166 6 residues pruned to eliminate duplicates Z: 17 7.243 1.654 0.306 0.462 0.750 0.500 CB 1.161 17 residues pruned to eliminate duplicates Z: 8 5.623 1.918 0.158 0.405 0.714 0.571 CB 1.480 8 residues pruned to eliminate duplicates Z: 15 11.049 1.770 0.449 0.607 0.857 0.714 CB 1.214 15 residues pruned to eliminate duplicates Z: 16 12.429 1.750 0.505 0.572 0.933 0.667 CB 1.218 16 residues pruned to eliminate duplicates Z: 15 11.488 1.778 0.496 0.626 0.857 0.786 CB 1.195 15 residues pruned to eliminate duplicates Z: 19 11.292 1.707 0.581 0.545 0.833 0.722 CB 1.132 13 residues pruned to eliminate duplicates Z: 9 14.460 1.843 0.487 0.907 1.000 0.875 CB 1.326 Z: 8 16.186 1.924 0.651 0.889 1.000 1.000 CB 1.387 17 residues pruned to eliminate duplicates Z: 15 15.635 1.815 0.708 0.682 0.929 0.643 CB 1.229 15 residues pruned to eliminate duplicates Z: 26 19.778 1.862 0.485 0.672 0.920 0.640 CB 1.328 25 residues pruned to eliminate duplicates Z: 7 10.309 1.764 0.571 0.836 1.000 1.000 CB 1.137 7 residues pruned to eliminate duplicates Z: 14 13.093 1.907 0.397 0.516 0.923 0.615 N 1.455 14 residues pruned to eliminate duplicates Z: 22 18.132 1.897 0.534 0.601 0.905 0.619 CB 1.366 22 residues pruned to eliminate duplicates Z: 11 6.321 1.665 0.377 0.565 0.800 0.600 CB 1.023 10 residues pruned to eliminate duplicates Z: 7 10.015 1.817 0.530 0.827 1.000 0.667 CB 1.109 7 residues pruned to eliminate duplicates Z: 26 21.165 1.869 0.383 0.697 0.960 0.880 CA 1.425 26 residues pruned to eliminate duplicates Z: 14 10.721 1.974 0.174 0.609 0.923 0.846 CB 1.253 14 residues pruned to eliminate duplicates Z: 16 14.880 1.926 0.264 0.590 1.000 0.867 CB 1.449 16 residues pruned to eliminate duplicates Z: 16 18.703 1.934 0.198 0.839 1.000 0.867 CB 1.557 16 residues pruned to eliminate duplicates Z: 16 14.424 1.913 0.470 0.536 0.933 0.733 CB 1.369 16 residues pruned to eliminate duplicates Z: 9 8.005 1.968 0.207 0.404 0.875 0.625 CB 1.507 9 residues pruned to eliminate duplicates Z: 22 11.930 1.726 0.479 0.462 0.857 0.571 CB 1.236 25 residues pruned to eliminate duplicates Z: 16 17.464 1.862 0.260 0.886 1.000 0.867 CA 1.387 16 residues pruned to eliminate duplicates Z: 22 21.223 1.907 0.390 0.732 1.000 0.810 CB 1.418 22 residues pruned to eliminate duplicates Z: 22 22.366 1.916 0.462 0.756 1.000 0.905 CB 1.387 22 residues pruned to eliminate duplicates Z: 23 24.632 1.923 0.571 0.748 1.000 0.818 CB 1.393 23 residues pruned to eliminate duplicates Z: 25 22.490 1.861 0.620 0.679 1.000 0.833 CB 1.291 25 residues pruned to eliminate duplicates Z: 76 36.460 1.875 0.583 0.704 0.920 0.653 CB 1.280 76 residues pruned to eliminate duplicates Z: 30 14.833 1.745 0.519 0.490 0.862 0.552 CB 1.218 30 residues pruned to eliminate duplicates Z: 26 20.362 1.826 0.680 0.561 0.960 0.640 CB 1.304 26 residues pruned to eliminate duplicates Z: 28 17.586 1.806 0.415 0.659 0.889 0.593 CB 1.285 28 residues pruned to eliminate duplicates Z: 12 12.082 1.854 0.575 0.819 0.818 0.273 CB 1.155 12 residues pruned to eliminate duplicates Z: 15 11.783 1.722 0.640 0.512 0.857 0.429 CB 1.286 15 residues pruned to eliminate duplicates Z: 14 15.982 1.782 0.665 0.612 1.000 0.692 N 1.344 14 residues pruned to eliminate duplicates Z: 22 23.115 1.853 0.746 0.883 1.000 0.810 CB 1.128 22 residues pruned to eliminate duplicates Z: 39 29.168 1.868 0.641 0.755 0.921 0.763 CB 1.335 39 residues pruned to eliminate duplicates Z: 20 24.771 1.917 0.809 0.924 1.000 0.684 CB 1.150 20 residues pruned to eliminate duplicates Z: 37 23.546 1.830 0.632 0.665 0.944 0.611 CB 1.194 37 residues pruned to eliminate duplicates Z: 36 26.783 1.881 0.529 0.801 0.943 0.771 CB 1.283 36 residues pruned to eliminate duplicates Z: 26 16.212 1.799 0.499 0.707 0.920 0.720 CB 1.083 26 residues pruned to eliminate duplicates Z: 28 24.839 1.921 0.677 0.811 0.926 0.593 CB 1.222 28 residues pruned to eliminate duplicates Z: 43 32.061 1.852 0.812 0.736 0.929 0.714 CB 1.284 43 residues pruned to eliminate duplicates Z: 41 30.344 1.920 0.750 0.757 0.850 0.650 CB 1.336 41 residues pruned to eliminate duplicates Z: 51 31.481 1.904 0.701 0.725 0.880 0.480 CB 1.275 51 residues pruned to eliminate duplicates Z: 39 33.415 1.923 0.785 0.819 0.921 0.632 CB 1.299 39 residues pruned to eliminate duplicates Z: 39 32.128 1.954 0.652 0.813 0.947 0.711 CB 1.297 39 residues pruned to eliminate duplicates Z: 68 38.983 1.928 0.560 0.753 0.925 0.687 CB 1.366 68 residues pruned to eliminate duplicates Z: 28 24.047 1.887 0.661 0.748 0.963 0.556 CB 1.228 28 residues pruned to eliminate duplicates Z: 55 31.461 1.868 0.660 0.715 0.926 0.593 CB 1.227 55 residues pruned to eliminate duplicates Z: 39 34.587 1.905 0.712 0.818 1.000 0.658 CB 1.305 39 residues pruned to eliminate duplicates Z: 40 36.817 1.906 0.848 0.855 0.974 0.744 CB 1.268 40 residues pruned to eliminate duplicates Z: 51 33.698 1.893 0.662 0.767 0.920 0.680 CB 1.299 51 residues pruned to eliminate duplicates Z: 21 31.687 1.935 0.949 0.817 1.000 0.750 CB 1.426 21 residues pruned to eliminate duplicates Z: 40 34.622 1.905 0.867 0.788 0.949 0.641 CB 1.276 40 residues pruned to eliminate duplicates Z: 53 42.255 1.936 0.790 0.802 0.942 0.692 CB 1.379 53 residues pruned to eliminate duplicates Z: 38 30.747 1.914 0.772 0.817 0.919 0.595 CB 1.232 38 residues pruned to eliminate duplicates Z: 22 19.098 1.849 0.562 0.738 0.857 0.476 CB 1.360 22 residues pruned to eliminate duplicates Z: 40 28.213 1.888 0.775 0.787 0.923 0.590 CB 1.135 40 residues pruned to eliminate duplicates Z: 39 27.636 1.836 0.908 0.741 0.842 0.500 CB 1.225 39 residues pruned to eliminate duplicates Z: 75 34.320 1.854 0.625 0.677 0.892 0.554 CB 1.262 75 residues pruned to eliminate duplicates Z: 28 25.822 1.896 0.873 0.698 0.852 0.556 CB 1.372 28 residues pruned to eliminate duplicates Z: 79 41.051 1.897 0.768 0.732 0.885 0.628 CB 1.272 79 residues pruned to eliminate duplicates Z: 55 44.033 1.927 0.890 0.823 0.963 0.667 CB 1.291 55 residues pruned to eliminate duplicates Z: 70 43.122 1.918 0.761 0.766 0.942 0.609 CB 1.288 70 residues pruned to eliminate duplicates Z: 21 29.373 1.923 0.719 0.828 1.000 0.850 CB 1.497 21 residues pruned to eliminate duplicates Z: 64 40.883 1.911 0.721 0.778 0.952 0.587 CB 1.286 64 residues pruned to eliminate duplicates Z: 66 37.658 1.905 0.684 0.752 0.908 0.492 CB 1.281 66 residues pruned to eliminate duplicates Z: 38 34.369 1.872 0.775 0.776 0.946 0.595 CB 1.410 38 residues pruned to eliminate duplicates Z: 66 38.601 1.880 0.708 0.756 0.923 0.600 CB 1.286 66 residues pruned to eliminate duplicates Z: 55 40.340 1.946 0.712 0.790 0.963 0.704 CB 1.326 55 residues pruned to eliminate duplicates Z: 54 39.076 1.958 0.650 0.789 0.943 0.604 CB 1.366 54 residues pruned to eliminate duplicates Z: 70 40.055 1.854 0.778 0.729 0.928 0.623 CB 1.284 70 residues pruned to eliminate duplicates Z: 60 37.986 1.872 0.771 0.752 0.915 0.525 CB 1.302 60 residues pruned to eliminate duplicates Z: 23 27.276 1.953 0.782 0.685 0.909 0.682 CB 1.552 23 residues pruned to eliminate duplicates Z: 57 40.627 1.934 0.691 0.768 0.964 0.661 CB 1.358 57 residues pruned to eliminate duplicates Z: 58 44.988 1.961 0.745 0.788 0.982 0.596 CB 1.376 58 residues pruned to eliminate duplicates Z: 65 41.908 1.889 0.734 0.771 0.922 0.562 CB 1.365 65 residues pruned to eliminate duplicates Z: 80 40.596 1.867 0.700 0.691 0.924 0.582 CB 1.307 80 residues pruned to eliminate duplicates Z: 56 41.239 1.953 0.836 0.806 0.909 0.564 CB 1.306 56 residues pruned to eliminate duplicates Z: 102 42.542 1.884 0.567 0.729 0.921 0.634 CB 1.266 102 residues pruned to eliminate duplicates Z: 68 40.263 1.900 0.764 0.746 0.896 0.522 CB 1.316 68 residues pruned to eliminate duplicates Z: 67 38.025 1.877 0.767 0.730 0.894 0.561 CB 1.283 67 residues pruned to eliminate duplicates Z: 44 37.224 1.918 0.775 0.735 0.953 0.628 CB 1.416 44 residues pruned to eliminate duplicates Z: 65 44.233 1.920 0.788 0.769 0.969 0.719 CB 1.310 65 residues pruned to eliminate duplicates Z: 65 43.379 1.880 0.798 0.773 0.969 0.500 CB 1.300 65 residues pruned to eliminate duplicates Z: 69 39.366 1.877 0.692 0.744 0.926 0.588 CB 1.305 69 residues pruned to eliminate duplicates Z: 7 6.656 1.839 0.242 0.579 0.833 0.167 CB 1.323 7 residues pruned to eliminate duplicates Z: 52 36.738 1.841 0.796 0.686 0.922 0.412 CB 1.424 52 residues pruned to eliminate duplicates Z: 87 41.760 1.855 0.656 0.706 0.953 0.558 CB 1.275 87 residues pruned to eliminate duplicates Z: 24 18.581 1.758 0.451 0.733 0.913 0.696 CB 1.350 24 residues pruned to eliminate duplicates Z: 25 19.809 1.793 0.385 0.786 0.958 0.625 CB 1.322 25 residues pruned to eliminate duplicates Z: 9 4.578 1.631 0.318 0.467 0.625 0.375 CB 1.246 9 residues pruned to eliminate duplicates Z: 18 6.036 1.426 0.464 0.472 0.706 0.294 CB 1.023 18 residues pruned to eliminate duplicates Z: 54 30.232 1.841 0.587 0.640 0.925 0.585 CB 1.349 54 residues pruned to eliminate duplicates Z: 53 25.242 1.890 0.295 0.687 0.942 0.654 CB 1.279 53 residues pruned to eliminate duplicates Z: 24 13.257 1.803 0.142 0.671 0.870 0.609 CB 1.318 24 residues pruned to eliminate duplicates Z: 22 15.809 1.824 0.355 0.671 0.857 0.524 CB 1.391 22 residues pruned to eliminate duplicates Z: 22 14.757 1.751 0.512 0.672 0.810 0.524 CB 1.282 22 residues pruned to eliminate duplicates Z: 23 14.339 1.802 0.246 0.635 0.909 0.591 CB 1.320 23 residues pruned to eliminate duplicates Z: 25 14.440 1.774 0.448 0.664 0.792 0.542 CB 1.246 25 residues pruned to eliminate duplicates Z: 84 41.093 1.893 0.639 0.719 0.916 0.530 CB 1.302 84 residues pruned to eliminate duplicates Z: 25 18.409 1.734 0.441 0.699 0.917 0.500 CB 1.369 25 residues pruned to eliminate duplicates Z: 52 30.277 1.846 0.654 0.668 0.922 0.647 CB 1.290 52 residues pruned to eliminate duplicates Z: 28 13.325 1.699 0.337 0.563 0.815 0.481 CB 1.304 28 residues pruned to eliminate duplicates Z: 23 15.317 1.768 0.498 0.600 0.864 0.455 CB 1.298 23 residues pruned to eliminate duplicates Z: 96 43.813 1.880 0.610 0.685 0.947 0.600 CB 1.323 96 residues pruned to eliminate duplicates Z: 54 28.139 1.934 0.523 0.671 0.887 0.642 CB 1.264 54 residues pruned to eliminate duplicates Z: 52 29.116 1.911 0.558 0.698 0.902 0.529 CB 1.268 52 residues pruned to eliminate duplicates Z: 82 41.700 1.930 0.635 0.730 0.889 0.543 CB 1.343 82 residues pruned to eliminate duplicates Z: 77 36.935 1.953 0.605 0.708 0.895 0.632 CB 1.250 77 residues pruned to eliminate duplicates Z: 54 28.484 1.909 0.522 0.679 0.906 0.585 CB 1.260 54 residues pruned to eliminate duplicates Z: 24 15.628 1.826 0.438 0.689 0.826 0.609 CB 1.264 24 residues pruned to eliminate duplicates Z: 54 24.802 1.887 0.458 0.663 0.868 0.679 CB 1.227 54 residues pruned to eliminate duplicates Z: 53 25.108 1.912 0.426 0.679 0.827 0.615 CB 1.310 53 residues pruned to eliminate duplicates Z: 57 36.770 2.008 0.507 0.765 0.946 0.804 CB 1.356 57 residues pruned to eliminate duplicates Z: 53 26.837 1.929 0.428 0.679 0.885 0.596 CB 1.296 53 residues pruned to eliminate duplicates Z: 28 24.135 2.027 0.463 0.758 0.963 0.852 CB 1.293 28 residues pruned to eliminate duplicates Z: 50 26.021 1.909 0.420 0.674 0.918 0.592 CB 1.272 50 residues pruned to eliminate duplicates Z: 69 33.721 1.908 0.565 0.641 0.897 0.662 CB 1.338 69 residues pruned to eliminate duplicates Z: 52 27.343 1.906 0.380 0.688 0.922 0.667 CB 1.329 52 residues pruned to eliminate duplicates Z: 53 25.441 1.871 0.390 0.640 0.923 0.615 CB 1.289 53 residues pruned to eliminate duplicates Z: 28 24.809 1.992 0.557 0.767 0.926 0.815 CB 1.312 28 residues pruned to eliminate duplicates Z: 77 38.604 1.946 0.496 0.751 0.921 0.684 CB 1.320 77 residues pruned to eliminate duplicates Z: 51 29.582 1.927 0.440 0.729 0.940 0.620 CB 1.304 51 residues pruned to eliminate duplicates Z: 119 46.729 1.881 0.645 0.707 0.915 0.593 CB 1.259 119 residues pruned to eliminate duplicates Z: 40 23.147 1.955 0.451 0.702 0.846 0.667 CB 1.285 40 residues pruned to eliminate duplicates Z: 51 28.562 1.917 0.527 0.691 0.920 0.640 CB 1.260 51 residues pruned to eliminate duplicates Z: 58 30.316 1.873 0.507 0.747 0.877 0.596 CB 1.301 58 residues pruned to eliminate duplicates Z: 52 30.177 1.940 0.551 0.700 0.922 0.706 CB 1.270 52 residues pruned to eliminate duplicates Z: 26 29.039 2.086 0.826 0.782 0.920 0.600 CB 1.293 26 residues pruned to eliminate duplicates Z: 49 33.259 1.955 0.637 0.722 0.938 0.583 CB 1.309 49 residues pruned to eliminate duplicates Z: 51 31.080 1.946 0.642 0.679 0.920 0.540 CB 1.269 51 residues pruned to eliminate duplicates Z: 50 29.612 1.948 0.559 0.704 0.878 0.531 CB 1.319 50 residues pruned to eliminate duplicates Z: 118 50.025 1.908 0.686 0.721 0.932 0.598 CB 1.264 118 residues pruned to eliminate duplicates Z: 56 29.404 1.891 0.598 0.649 0.909 0.455 CB 1.256 56 residues pruned to eliminate duplicates Z: 39 18.386 1.940 0.615 0.576 0.816 0.553 CB 1.085 39 residues pruned to eliminate duplicates Z: 30 23.449 2.015 0.663 0.671 0.897 0.517 CB 1.237 30 residues pruned to eliminate duplicates Z: 31 25.935 2.013 0.800 0.739 0.900 0.533 CB 1.171 31 residues pruned to eliminate duplicates Z: 32 26.428 2.015 0.628 0.702 0.935 0.613 CB 1.287 32 residues pruned to eliminate duplicates Z: 51 29.018 1.936 0.650 0.712 0.860 0.660 CB 1.232 51 residues pruned to eliminate duplicates Z: 32 27.791 2.016 0.714 0.777 0.903 0.645 CB 1.252 32 residues pruned to eliminate duplicates 7 1.881 1.648 -0.235 0.372 0.667 0.167 N 1.048 ? Z: 30 32.043 1.996 0.813 0.815 0.931 0.759 CB 1.343 30 residues pruned to eliminate duplicates Z: 24 35.256 2.063 0.716 0.897 1.000 0.826 CB 1.486 24 residues pruned to eliminate duplicates Z: 27 34.440 2.065 0.896 0.845 0.962 0.731 CB 1.333 29 residues pruned to eliminate duplicates Z: 24 33.551 2.055 0.682 0.896 1.000 0.783 CB 1.449 24 residues pruned to eliminate duplicates Z: 25 36.512 2.071 0.841 0.910 1.000 0.875 CB 1.386 25 residues pruned to eliminate duplicates Z: 25 31.257 2.075 0.590 0.921 1.000 0.917 CB 1.362 25 residues pruned to eliminate duplicates Z: 27 32.100 2.061 0.662 0.897 1.000 0.769 CB 1.315 25 residues pruned to eliminate duplicates Z: 26 34.563 2.054 0.677 0.916 1.000 0.840 CB 1.417 26 residues pruned to eliminate duplicates Z: 28 29.895 2.008 0.607 0.866 0.926 0.778 CB 1.409 27 residues pruned to eliminate duplicates Z: 26 35.727 2.083 0.713 0.902 1.000 0.840 CB 1.429 26 residues pruned to eliminate duplicates Z: 26 35.013 2.083 0.875 0.915 0.960 0.760 CB 1.320 26 residues pruned to eliminate duplicates Z: 24 41.147 2.132 0.804 0.927 1.000 1.000 CB 1.564 28 residues pruned to eliminate duplicates Z: 27 34.760 2.060 0.736 0.911 1.000 0.769 CB 1.351 24 residues pruned to eliminate duplicates Z: 27 37.608 2.007 0.749 0.905 1.000 0.731 CA 1.496 26 residues pruned to eliminate duplicates Z: 25 34.027 2.069 0.603 0.904 1.000 0.708 CB 1.491 25 residues pruned to eliminate duplicates Z: 27 33.180 2.050 0.833 0.909 0.962 0.577 CB 1.278 27 residues pruned to eliminate duplicates Z: 27 30.799 2.005 0.816 0.838 0.923 0.808 CB 1.344 27 residues pruned to eliminate duplicates Z: 28 37.420 2.021 0.858 0.885 0.963 0.852 CB 1.438 28 residues pruned to eliminate duplicates Z: 27 36.983 2.048 0.853 0.927 1.000 0.885 CB 1.340 28 residues pruned to eliminate duplicates Z: 27 38.904 2.046 0.887 0.924 1.000 0.808 CB 1.388 27 residues pruned to eliminate duplicates Z: 27 35.123 2.054 0.736 0.924 1.000 0.885 CB 1.357 27 residues pruned to eliminate duplicates Z: 27 39.063 2.068 1.035 0.881 0.962 0.885 CB 1.371 27 residues pruned to eliminate duplicates Z: 27 37.853 2.040 1.117 0.912 0.962 0.808 CB 1.267 27 residues pruned to eliminate duplicates 381 residues left after pruning, divided into chains as follows: A: 104 B: 57 C: 20 D: 200 CC for partial structure against native data = 46.53 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.440, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.506, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.609, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.623, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.636, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.643, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.649, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.653, Connect. = 0.754 for dens.mod. cycle 8 TimeTaking 86.98