null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:55:09 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: ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.ins Phases from ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.phi Native data from ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.hkl Listing output to ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.lst Phases output to ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.phs Poly-Ala trace output to ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 34461 Reflections read from file ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.phi 34461 Reflections read from file ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.hkl 34461 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by 0.000150h^2 +0.000150k^2 -0.000011l^2 +0.000000kl +0.000000hl +0.000150hk 96 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 256 x 256 x 87 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.728 = 0.300, Contrast = 0.441, Connect. = 0.735 for dens.mod. cycle 1 = 0.300, Contrast = 0.542, Connect. = 0.759 for dens.mod. cycle 2 = 0.300, Contrast = 0.626, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.645, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.654, Connect. = 0.788 for dens.mod. cycle 5 = 0.300, Contrast = 0.661, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.666, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.792 for dens.mod. cycle 8 = 0.300, Contrast = 0.671, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.672, Connect. = 0.794 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2540 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 590 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 57.651 2.112 1.317 0.948 1.000 0.759 CB 1.512 B: 37 55.574 1.947 1.168 0.928 1.000 0.639 CB 1.537 C: 30 53.626 2.099 1.174 0.935 1.000 0.862 CA 1.522 30 residues pruned to eliminate duplicates D: 26 32.841 1.934 0.826 0.920 0.920 0.680 CA 1.424 E: 25 33.669 2.022 0.817 0.927 0.958 0.792 CA 1.368 F: 30 39.891 1.971 0.930 0.934 1.000 0.621 CB 1.358 G: 30 50.631 2.119 1.084 0.945 1.000 0.966 CA 1.474 30 residues pruned to eliminate duplicates H: 20 37.293 2.083 1.067 0.949 0.947 0.684 CB 1.448 20 residues pruned to eliminate duplicates I: 25 42.565 2.098 0.956 0.948 1.000 0.792 CB 1.463 25 residues pruned to eliminate duplicates J: 31 40.469 1.992 0.737 0.931 1.000 0.933 CB 1.492 30 residues pruned to eliminate duplicates K: 32 33.195 1.863 0.745 0.891 0.968 0.871 CA 1.363 L: 21 33.647 2.058 0.927 0.937 1.000 0.600 CB 1.320 M: 27 28.561 1.990 0.506 0.935 1.000 0.923 CB 1.303 21 residues pruned to eliminate duplicates N: 29 41.727 2.036 0.965 0.939 1.000 0.714 CB 1.370 29 residues pruned to eliminate duplicates O: 28 26.486 1.806 0.569 0.899 1.000 0.889 CB 1.286 P: 37 31.945 1.724 0.753 0.908 0.972 0.611 CB 1.286 Q: 23 37.303 1.969 1.021 0.923 1.000 0.773 CA 1.405 23 residues pruned to eliminate duplicates R: 31 42.075 1.992 0.793 0.940 1.000 0.767 CB 1.493 31 residues pruned to eliminate duplicates S: 20 37.712 2.045 1.058 0.929 1.000 0.684 CA 1.438 20 residues pruned to eliminate duplicates T: 33 39.677 1.960 0.970 0.933 0.969 0.750 CB 1.309 22 residues pruned to eliminate duplicates U: 29 38.937 2.008 1.030 0.949 1.000 0.714 CB 1.246 29 residues pruned to eliminate duplicates V: 22 33.948 2.036 1.037 0.933 1.000 0.714 CB 1.247 22 residues pruned to eliminate duplicates W: 30 46.605 2.041 1.019 0.948 1.000 0.793 CB 1.451 31 residues pruned to eliminate duplicates X: 22 25.323 1.842 0.565 0.904 1.000 0.952 CB 1.366 21 residues pruned to eliminate duplicates Y: 22 28.816 1.870 0.875 0.900 1.000 0.714 CB 1.280 Z: 30 50.602 2.101 1.156 0.941 0.966 0.828 CA 1.490 30 residues pruned to eliminate duplicates Z: 31 47.413 2.048 1.028 0.941 1.000 0.933 CA 1.446 31 residues pruned to eliminate duplicates Z: 30 55.023 2.085 1.312 0.955 1.000 0.793 CB 1.456 30 residues pruned to eliminate duplicates Z: 31 36.562 1.987 0.604 0.929 1.000 0.933 CA 1.465 31 residues pruned to eliminate duplicates Z: 30 46.346 1.962 1.072 0.933 1.000 0.759 CB 1.477 32 residues pruned to eliminate duplicates Z: 27 39.687 1.929 1.049 0.906 0.962 0.692 CA 1.457 26 residues pruned to eliminate duplicates Z: 22 31.134 2.022 0.768 0.932 1.000 0.857 CA 1.328 22 residues pruned to eliminate duplicates Z: 30 49.683 2.118 1.016 0.947 1.000 1.000 CA 1.493 30 residues pruned to eliminate duplicates Z: 27 36.039 2.028 0.823 0.962 1.000 0.846 CB 1.307 26 residues pruned to eliminate duplicates Z: 23 28.579 1.997 0.664 0.903 1.000 0.864 CA 1.308 22 residues pruned to eliminate duplicates Z: 28 24.917 1.722 0.827 0.875 0.963 0.667 CB 1.152 Z: 36 43.911 1.990 0.915 0.930 0.971 0.743 CB 1.402 36 residues pruned to eliminate duplicates Z: 31 44.258 1.970 1.029 0.947 1.000 0.867 CB 1.397 30 residues pruned to eliminate duplicates Z: 20 29.962 1.831 1.001 0.865 0.947 0.842 CB 1.451 20 residues pruned to eliminate duplicates Z: 32 37.526 1.914 0.920 0.913 0.935 0.903 CB 1.387 32 residues pruned to eliminate duplicates Z: 31 39.223 1.975 0.735 0.951 1.000 0.867 CB 1.440 31 residues pruned to eliminate duplicates Z: 29 39.097 1.980 0.819 0.933 0.964 0.857 CA 1.485 29 residues pruned to eliminate duplicates Z: 30 35.128 1.945 0.634 0.925 1.000 0.966 CA 1.440 30 residues pruned to eliminate duplicates Z: 37 43.198 1.927 0.832 0.929 1.000 0.833 CA 1.427 37 residues pruned to eliminate duplicates Z: 30 26.862 1.889 0.482 0.925 1.000 0.966 CA 1.251 30 residues pruned to eliminate duplicates Z: 38 50.348 1.914 1.091 0.925 0.973 0.730 CA 1.491 38 residues pruned to eliminate duplicates Z: 30 54.307 2.110 1.179 0.932 1.000 0.828 CB 1.531 30 residues pruned to eliminate duplicates Z: 37 53.131 1.951 1.232 0.941 0.972 0.861 CA 1.451 37 residues pruned to eliminate duplicates Z: 25 33.896 1.944 0.723 0.908 1.000 0.833 CB 1.467 26 residues pruned to eliminate duplicates Z: 51 55.818 2.050 0.970 0.796 0.980 0.820 CB 1.539 49 residues pruned to eliminate duplicates Z: 24 35.682 1.935 1.003 0.909 0.913 0.696 CB 1.492 24 residues pruned to eliminate duplicates Z: 37 47.398 1.876 1.013 0.901 1.000 0.833 CA 1.494 37 residues pruned to eliminate duplicates Z: 31 52.153 2.054 1.241 0.930 1.000 0.867 CA 1.446 31 residues pruned to eliminate duplicates Z: 26 23.460 1.925 0.489 0.874 0.920 0.840 CA 1.295 26 residues pruned to eliminate duplicates Z: 31 50.274 2.053 1.161 0.938 1.000 0.867 CA 1.438 31 residues pruned to eliminate duplicates Z: 32 43.813 2.013 1.114 0.941 0.935 0.645 CB 1.371 33 residues pruned to eliminate duplicates Z: 22 31.365 2.020 1.086 0.929 0.952 0.714 CB 1.193 22 residues pruned to eliminate duplicates Z: 29 37.207 2.020 0.740 0.946 1.000 0.821 CB 1.384 29 residues pruned to eliminate duplicates Z: 22 33.091 2.045 0.867 0.934 1.000 0.762 CB 1.319 22 residues pruned to eliminate duplicates Z: 37 52.191 1.956 1.128 0.940 1.000 0.806 CA 1.450 37 residues pruned to eliminate duplicates Z: 34 37.329 1.918 0.707 0.956 1.000 0.909 CB 1.363 28 residues pruned to eliminate duplicates Z: 22 37.518 2.053 1.089 0.935 0.952 0.571 CB 1.397 22 residues pruned to eliminate duplicates Z: 29 27.390 1.831 0.647 0.892 0.964 0.929 CA 1.278 28 residues pruned to eliminate duplicates Z: 35 34.265 1.819 0.769 0.950 1.000 0.882 CB 1.259 28 residues pruned to eliminate duplicates Z: 30 51.196 2.111 1.070 0.935 1.000 0.897 CA 1.517 30 residues pruned to eliminate duplicates Z: 37 30.326 1.738 0.706 0.921 0.917 0.694 CB 1.309 37 residues pruned to eliminate duplicates Z: 26 42.921 2.110 1.004 0.947 0.920 0.800 CA 1.525 26 residues pruned to eliminate duplicates Z: 31 42.102 1.970 0.773 0.949 1.000 0.933 CB 1.520 31 residues pruned to eliminate duplicates Z: 29 50.787 2.097 1.268 0.933 1.000 0.607 CB 1.408 29 residues pruned to eliminate duplicates Z: 29 39.655 2.013 0.923 0.959 1.000 0.786 CB 1.327 29 residues pruned to eliminate duplicates Z: 29 49.344 2.118 1.122 0.957 1.000 0.893 CA 1.425 29 residues pruned to eliminate duplicates Z: 30 49.301 2.059 1.136 0.932 1.000 0.828 CB 1.454 30 residues pruned to eliminate duplicates Z: 28 26.815 1.803 0.870 0.900 0.889 0.593 CB 1.230 28 residues pruned to eliminate duplicates Z: 32 26.692 1.922 0.340 0.947 1.000 0.935 CA 1.287 32 residues pruned to eliminate duplicates Z: 23 21.402 1.864 0.774 0.701 0.864 0.818 CB 1.330 23 residues pruned to eliminate duplicates Z: 30 53.927 2.109 1.177 0.953 1.000 0.862 CA 1.500 29 residues pruned to eliminate duplicates Z: 27 36.845 1.949 0.845 0.926 1.000 0.846 CA 1.409 28 residues pruned to eliminate duplicates Z: 9 16.534 1.758 0.732 0.909 1.000 0.625 CA 1.363 Z: 37 41.100 1.963 0.856 0.932 1.000 0.694 CB 1.313 37 residues pruned to eliminate duplicates Z: 21 30.955 1.955 0.793 0.840 0.950 0.750 CB 1.551 21 residues pruned to eliminate duplicates Z: 30 27.885 1.749 0.648 0.928 1.000 0.828 CB 1.258 Z: 13 11.257 1.564 0.744 0.909 0.917 0.833 CB 0.923 Z: 37 47.561 1.960 1.097 0.953 0.972 0.556 CB 1.365 37 residues pruned to eliminate duplicates Z: 27 35.539 1.948 0.839 0.938 0.962 0.923 CA 1.408 27 residues pruned to eliminate duplicates Z: 31 36.139 1.984 0.673 0.933 1.000 0.767 CB 1.388 31 residues pruned to eliminate duplicates Z: 19 19.159 1.808 0.331 0.934 0.944 0.889 CA 1.386 19 residues pruned to eliminate duplicates Z: 29 27.174 1.770 0.489 0.934 1.000 0.893 CA 1.359 29 residues pruned to eliminate duplicates Z: 27 41.827 1.935 1.023 0.918 1.000 0.654 CA 1.478 27 residues pruned to eliminate duplicates Z: 43 48.250 1.947 1.056 0.855 0.952 0.881 CA 1.441 43 residues pruned to eliminate duplicates Z: 23 25.927 1.852 0.621 0.925 1.000 0.864 CB 1.292 23 residues pruned to eliminate duplicates Z: 20 39.225 1.985 1.055 0.939 1.000 0.842 CA 1.533 21 residues pruned to eliminate duplicates Z: 33 45.731 1.953 1.116 0.956 1.000 0.562 CB 1.344 34 residues pruned to eliminate duplicates Z: 28 38.957 1.964 1.084 0.936 0.926 0.667 CB 1.378 28 residues pruned to eliminate duplicates Z: 27 38.864 1.958 1.025 0.946 0.962 0.962 CA 1.383 26 residues pruned to eliminate duplicates Z: 26 25.637 1.860 0.587 0.929 0.960 0.880 CB 1.267 26 residues pruned to eliminate duplicates Z: 23 35.025 1.897 1.210 0.886 1.000 0.682 CB 1.285 23 residues pruned to eliminate duplicates Z: 25 26.918 1.846 0.505 0.894 1.000 0.917 CB 1.419 25 residues pruned to eliminate duplicates Z: 6 3.159 1.555 0.118 0.325 1.000 0.600 N 0.985 Z: 22 31.110 1.827 0.966 0.949 1.000 0.714 CB 1.304 22 residues pruned to eliminate duplicates Z: 35 25.222 1.748 0.594 0.917 0.824 0.735 CB 1.330 35 residues pruned to eliminate duplicates Z: 66 51.211 1.842 0.793 0.934 0.969 0.754 CB 1.383 64 residues pruned to eliminate duplicates Z: 36 32.857 1.813 0.670 0.943 1.000 0.771 CB 1.272 36 residues pruned to eliminate duplicates Z: 34 34.895 2.030 0.572 0.936 0.970 0.909 CA 1.367 34 residues pruned to eliminate duplicates Z: 30 38.608 2.037 0.710 0.945 0.966 0.897 CB 1.475 30 residues pruned to eliminate duplicates Z: 24 24.307 1.818 0.623 0.915 1.000 0.870 CB 1.214 24 residues pruned to eliminate duplicates Z: 31 40.044 1.975 0.819 0.938 1.000 0.933 CB 1.415 31 residues pruned to eliminate duplicates Z: 31 50.578 2.038 1.246 0.927 1.000 0.767 CB 1.414 31 residues pruned to eliminate duplicates Z: 20 27.254 1.844 0.694 0.878 1.000 0.842 CB 1.452 20 residues pruned to eliminate duplicates Z: 35 30.519 1.893 0.538 0.943 1.000 0.971 CA 1.246 34 residues pruned to eliminate duplicates Z: 17 22.478 1.921 0.782 0.874 1.000 0.812 CA 1.194 17 residues pruned to eliminate duplicates Z: 30 42.204 2.110 0.804 0.945 1.000 1.000 CA 1.425 30 residues pruned to eliminate duplicates Z: 37 41.934 1.956 1.129 0.925 0.917 0.639 CB 1.284 37 residues pruned to eliminate duplicates Z: 21 23.952 1.856 0.762 0.870 0.950 0.800 CB 1.258 21 residues pruned to eliminate duplicates Z: 8 16.975 1.896 0.812 0.913 1.000 1.000 CA 1.323 8 residues pruned to eliminate duplicates Z: 30 45.325 1.969 0.971 0.931 1.000 0.724 CB 1.516 30 residues pruned to eliminate duplicates Z: 30 40.716 2.002 0.876 0.951 1.000 0.931 CB 1.387 30 residues pruned to eliminate duplicates Z: 11 17.162 1.628 0.717 0.901 1.000 0.800 O 1.386 12 residues pruned to eliminate duplicates Z: 32 32.334 1.904 0.548 0.923 1.000 0.903 CA 1.386 32 residues pruned to eliminate duplicates Z: 27 23.713 1.735 1.055 0.911 0.846 0.231 CB 1.093 27 residues pruned to eliminate duplicates Z: 30 46.230 1.984 1.210 0.904 0.931 0.552 CB 1.498 30 residues pruned to eliminate duplicates Z: 36 47.286 2.016 0.958 0.943 1.000 0.771 CB 1.403 36 residues pruned to eliminate duplicates Z: 31 41.900 1.959 0.979 0.963 1.000 0.867 CB 1.349 31 residues pruned to eliminate duplicates Z: 36 38.969 2.010 0.679 0.944 0.971 0.800 CA 1.392 36 residues pruned to eliminate duplicates Z: 24 24.818 1.785 0.542 0.928 1.000 0.957 CA 1.317 24 residues pruned to eliminate duplicates Z: 30 52.633 2.095 1.129 0.953 1.000 0.897 CA 1.508 30 residues pruned to eliminate duplicates Z: 23 25.022 1.799 0.516 0.930 1.000 0.864 CB 1.368 23 residues pruned to eliminate duplicates Z: 24 41.328 2.031 0.906 0.953 1.000 0.870 CA 1.532 24 residues pruned to eliminate duplicates Z: 36 32.883 1.738 0.698 0.901 0.971 0.771 CB 1.383 37 residues pruned to eliminate duplicates Z: 29 38.801 1.977 0.673 0.934 1.000 0.964 CB 1.546 29 residues pruned to eliminate duplicates Z: 20 17.203 1.587 0.886 0.898 0.947 0.474 CB 0.995 Z: 26 34.573 1.875 0.999 0.926 1.000 0.560 CB 1.294 26 residues pruned to eliminate duplicates Z: 23 23.839 1.782 0.592 0.941 0.955 0.864 CB 1.302 20 residues pruned to eliminate duplicates Z: 14 19.939 1.662 0.895 0.942 1.000 0.462 CB 1.218 14 residues pruned to eliminate duplicates Z: 38 50.188 1.899 1.156 0.928 0.973 0.730 CB 1.450 38 residues pruned to eliminate duplicates Z: 30 41.806 2.002 0.900 0.944 1.000 0.793 CB 1.413 30 residues pruned to eliminate duplicates Z: 30 45.825 2.102 0.926 0.953 1.000 0.897 CA 1.447 30 residues pruned to eliminate duplicates Z: 26 34.281 1.969 0.762 0.931 1.000 0.840 CA 1.381 26 residues pruned to eliminate duplicates Z: 37 45.665 1.954 0.909 0.910 1.000 0.778 CA 1.448 37 residues pruned to eliminate duplicates Z: 29 39.323 2.028 0.708 0.951 1.000 0.857 CB 1.479 30 residues pruned to eliminate duplicates Z: 21 28.598 1.841 0.931 0.878 0.950 0.600 CB 1.374 21 residues pruned to eliminate duplicates Z: 30 30.430 1.745 0.808 0.935 1.000 0.897 CB 1.249 30 residues pruned to eliminate duplicates Z: 23 27.348 1.780 0.815 0.921 1.000 0.636 CB 1.270 23 residues pruned to eliminate duplicates Z: 20 22.100 1.790 0.588 0.929 0.947 0.895 CB 1.318 20 residues pruned to eliminate duplicates Z: 37 50.028 1.954 1.081 0.918 1.000 0.778 CA 1.446 37 residues pruned to eliminate duplicates Z: 31 39.452 1.967 0.787 0.928 1.000 0.767 CB 1.435 31 residues pruned to eliminate duplicates Z: 32 38.668 1.959 0.670 0.929 1.000 0.839 CB 1.485 32 residues pruned to eliminate duplicates Z: 28 41.227 1.958 1.030 0.932 0.963 0.815 CA 1.448 27 residues pruned to eliminate duplicates Z: 21 28.974 1.890 0.941 0.896 0.950 0.700 CB 1.332 21 residues pruned to eliminate duplicates Z: 27 39.055 1.932 0.968 0.921 1.000 0.615 CA 1.417 27 residues pruned to eliminate duplicates Z: 26 27.061 1.791 0.629 0.925 1.000 0.800 CA 1.303 23 residues pruned to eliminate duplicates Z: 6 9.288 1.892 0.150 0.885 1.000 1.000 CA 1.378 6 residues pruned to eliminate duplicates Z: 28 35.232 1.880 0.756 0.946 1.000 0.815 CA 1.420 28 residues pruned to eliminate duplicates Z: 21 23.976 1.673 0.808 0.914 1.000 0.850 CB 1.253 20 residues pruned to eliminate duplicates Z: 37 49.305 1.956 1.035 0.936 1.000 0.806 CA 1.438 37 residues pruned to eliminate duplicates Z: 37 48.157 1.897 1.149 0.933 0.972 0.639 CB 1.414 37 residues pruned to eliminate duplicates Z: 21 31.060 1.947 0.945 0.919 0.900 0.550 CB 1.436 21 residues pruned to eliminate duplicates Z: 37 46.680 1.963 0.913 0.930 1.000 0.861 CA 1.449 37 residues pruned to eliminate duplicates Z: 37 43.024 1.923 0.890 0.916 0.972 0.778 CA 1.433 37 residues pruned to eliminate duplicates Z: 35 40.218 1.908 0.795 0.954 1.000 0.765 CB 1.385 35 residues pruned to eliminate duplicates Z: 15 13.315 1.509 0.781 0.767 1.000 0.714 CB 1.045 15 residues pruned to eliminate duplicates Z: 12 23.378 1.822 0.905 0.929 1.000 0.909 CA 1.421 7 residues pruned to eliminate duplicates Z: 30 48.787 2.105 1.020 0.930 1.000 0.931 CA 1.489 30 residues pruned to eliminate duplicates Z: 25 26.189 1.783 1.121 0.869 0.917 0.542 CB 1.126 22 residues pruned to eliminate duplicates Z: 37 29.408 1.710 0.891 0.890 0.917 0.583 CB 1.190 36 residues pruned to eliminate duplicates Z: 36 44.968 2.008 1.176 0.943 0.943 0.543 CB 1.278 36 residues pruned to eliminate duplicates Z: 30 51.582 2.095 1.126 0.954 1.000 0.897 CA 1.479 30 residues pruned to eliminate duplicates Z: 10 17.290 1.903 0.595 0.902 1.000 0.889 CA 1.355 10 residues pruned to eliminate duplicates Z: 6 12.558 1.799 1.102 0.829 0.800 0.600 CB 1.397 6 residues pruned to eliminate duplicates Z: 37 51.820 1.922 1.135 0.938 1.000 0.722 CA 1.464 37 residues pruned to eliminate duplicates Z: 18 20.878 1.748 0.836 0.922 0.882 0.588 CB 1.257 18 residues pruned to eliminate duplicates Z: 37 46.613 1.973 0.952 0.932 0.972 0.944 CA 1.449 37 residues pruned to eliminate duplicates Z: 26 30.461 1.750 0.857 0.931 1.000 0.840 CB 1.311 26 residues pruned to eliminate duplicates Z: 30 30.700 1.744 0.742 0.937 1.000 0.793 CB 1.306 29 residues pruned to eliminate duplicates Z: 28 28.625 1.752 0.691 0.915 0.963 0.889 CB 1.364 28 residues pruned to eliminate duplicates Z: 31 29.176 1.698 0.738 0.885 1.000 0.867 CB 1.303 31 residues pruned to eliminate duplicates Z: 23 27.350 1.692 0.775 0.916 1.000 0.864 CB 1.371 12 residues pruned to eliminate duplicates Z: 37 41.570 1.944 0.821 0.916 0.972 0.889 CA 1.422 37 residues pruned to eliminate duplicates Z: 23 32.596 1.974 0.649 0.937 1.000 0.955 CA 1.486 23 residues pruned to eliminate duplicates Z: 13 10.093 1.490 0.471 0.896 0.917 0.750 CB 1.039 13 residues pruned to eliminate duplicates Z: 34 38.556 1.942 0.892 0.952 0.970 0.667 CB 1.298 34 residues pruned to eliminate duplicates Z: 25 25.703 1.825 0.598 0.895 1.000 0.875 CB 1.290 25 residues pruned to eliminate duplicates Z: 37 53.227 1.932 1.158 0.933 1.000 0.722 CA 1.485 37 residues pruned to eliminate duplicates Z: 27 32.160 1.944 0.737 0.924 0.962 0.885 CA 1.365 27 residues pruned to eliminate duplicates Z: 35 28.425 1.722 0.941 0.913 0.941 0.559 CB 1.097 35 residues pruned to eliminate duplicates Z: 21 17.750 1.727 0.989 0.921 0.900 0.500 CB 0.903 21 residues pruned to eliminate duplicates Z: 28 30.521 1.818 0.665 0.944 1.000 0.963 CB 1.343 28 residues pruned to eliminate duplicates Z: 28 32.077 1.740 0.860 0.951 0.963 0.889 CB 1.366 24 residues pruned to eliminate duplicates Z: 31 39.310 1.958 0.882 0.930 0.967 0.667 CB 1.410 31 residues pruned to eliminate duplicates Z: 34 48.214 1.968 1.163 0.961 1.000 0.667 CB 1.350 35 residues pruned to eliminate duplicates Z: 22 27.252 2.011 0.535 0.931 1.000 0.952 CA 1.345 22 residues pruned to eliminate duplicates Z: 38 36.295 1.938 0.667 0.914 1.000 0.892 CA 1.306 38 residues pruned to eliminate duplicates Z: 22 17.465 1.596 0.538 0.874 0.952 0.571 CB 1.186 Z: 37 41.267 1.962 0.671 0.910 1.000 0.889 CA 1.487 37 residues pruned to eliminate duplicates Z: 22 21.509 1.614 0.823 0.893 1.000 0.714 CB 1.145 22 residues pruned to eliminate duplicates Z: 27 37.400 2.027 0.795 0.933 0.962 0.769 CA 1.463 27 residues pruned to eliminate duplicates Z: 35 33.532 1.827 0.719 0.939 1.000 0.882 CB 1.273 35 residues pruned to eliminate duplicates Z: 35 35.637 1.840 0.724 0.943 1.000 0.941 CB 1.335 35 residues pruned to eliminate duplicates Z: 23 26.354 1.793 0.873 0.918 1.000 0.682 CB 1.180 23 residues pruned to eliminate duplicates Z: 20 26.170 1.833 0.608 0.905 1.000 0.842 CA 1.450 20 residues pruned to eliminate duplicates Z: 19 24.606 1.738 0.982 0.889 1.000 0.778 CB 1.212 19 residues pruned to eliminate duplicates Z: 29 48.535 1.987 1.204 0.944 1.000 0.500 CB 1.451 29 residues pruned to eliminate duplicates Z: 28 30.353 1.792 0.645 0.939 1.000 0.926 CA 1.376 29 residues pruned to eliminate duplicates Z: 37 32.385 1.968 0.552 0.929 0.972 0.806 CA 1.272 35 residues pruned to eliminate duplicates Z: 26 25.819 1.836 0.581 0.918 1.000 0.880 CB 1.254 26 residues pruned to eliminate duplicates Z: 31 37.762 1.983 0.628 0.926 1.000 0.967 CB 1.498 31 residues pruned to eliminate duplicates Z: 22 33.707 1.939 1.071 0.765 1.000 0.667 CA 1.448 22 residues pruned to eliminate duplicates Z: 21 33.088 1.855 1.007 0.942 1.000 0.800 CB 1.378 21 residues pruned to eliminate duplicates Z: 29 43.427 2.006 1.091 0.945 1.000 0.893 CB 1.354 29 residues pruned to eliminate duplicates Z: 21 24.760 1.760 0.804 0.914 0.950 0.650 CB 1.298 21 residues pruned to eliminate duplicates Z: 23 29.434 2.003 0.551 0.933 1.000 0.864 CA 1.410 23 residues pruned to eliminate duplicates Z: 25 24.289 1.803 0.477 0.941 0.958 0.875 CA 1.348 26 residues pruned to eliminate duplicates Z: 15 28.473 1.833 1.063 0.920 1.000 0.286 CA 1.417 15 residues pruned to eliminate duplicates Z: 36 51.289 2.038 0.967 0.956 1.000 0.743 CA 1.485 37 residues pruned to eliminate duplicates Z: 36 45.745 1.964 0.930 0.936 1.000 0.914 CA 1.421 36 residues pruned to eliminate duplicates Z: 35 34.208 1.824 1.007 0.942 1.000 0.588 CB 1.111 35 residues pruned to eliminate duplicates Z: 31 39.638 1.985 0.694 0.941 1.000 0.967 CA 1.495 31 residues pruned to eliminate duplicates Z: 11 7.480 1.602 0.661 0.796 0.700 0.600 CB 0.980 11 residues pruned to eliminate duplicates Z: 38 35.237 1.883 0.633 0.914 1.000 0.865 CA 1.332 38 residues pruned to eliminate duplicates Z: 29 31.273 1.777 0.780 0.902 1.000 0.786 CB 1.333 29 residues pruned to eliminate duplicates Z: 22 30.963 1.876 1.229 0.851 0.952 0.667 CB 1.256 22 residues pruned to eliminate duplicates Z: 24 22.002 1.769 0.675 0.884 0.957 0.565 CB 1.169 24 residues pruned to eliminate duplicates Z: 28 29.672 1.725 0.845 0.905 0.963 0.815 CB 1.326 28 residues pruned to eliminate duplicates Z: 38 42.809 1.894 0.888 0.909 0.973 0.892 CA 1.435 38 residues pruned to eliminate duplicates Z: 9 4.115 1.608 0.277 0.434 0.750 0.625 CB 1.011 2 residues pruned to eliminate duplicates Z: 36 32.393 1.744 0.739 0.919 1.000 0.714 CB 1.272 36 residues pruned to eliminate duplicates Z: 36 32.938 1.996 0.525 0.930 0.971 0.914 CA 1.317 36 residues pruned to eliminate duplicates Z: 36 40.052 2.004 0.768 0.938 0.971 0.886 CA 1.368 36 residues pruned to eliminate duplicates Z: 12 14.193 1.742 0.679 0.901 1.000 0.818 CB 1.044 12 residues pruned to eliminate duplicates Z: 29 47.146 2.004 1.258 0.950 0.929 0.607 CB 1.463 29 residues pruned to eliminate duplicates Z: 37 41.849 1.924 0.837 0.923 0.972 0.861 CA 1.426 37 residues pruned to eliminate duplicates Z: 19 26.170 1.958 0.695 0.875 0.944 0.778 CA 1.431 19 residues pruned to eliminate duplicates Z: 38 49.435 1.881 1.161 0.918 0.973 0.649 CB 1.450 38 residues pruned to eliminate duplicates Z: 37 27.234 1.729 0.555 0.879 0.972 0.722 CB 1.260 37 residues pruned to eliminate duplicates Z: 58 45.690 1.867 0.868 0.922 0.965 0.860 CA 1.264 58 residues pruned to eliminate duplicates Z: 38 46.625 1.908 1.042 0.929 0.973 0.892 CA 1.414 38 residues pruned to eliminate duplicates Z: 55 40.935 1.902 0.624 0.861 0.963 0.796 CB 1.376 55 residues pruned to eliminate duplicates Z: 35 29.650 1.811 0.544 0.921 1.000 0.853 CB 1.280 35 residues pruned to eliminate duplicates Z: 23 19.900 1.611 0.516 0.891 1.000 0.909 CB 1.249 22 residues pruned to eliminate duplicates Z: 28 35.125 1.967 0.844 0.915 0.963 0.815 CA 1.368 28 residues pruned to eliminate duplicates Z: 10 8.780 1.392 0.460 0.872 1.000 0.778 CB 1.050 9 residues pruned to eliminate duplicates Z: 29 29.429 1.701 0.806 0.931 1.000 0.857 CB 1.265 29 residues pruned to eliminate duplicates Z: 21 26.424 1.843 0.661 0.874 1.000 0.650 CB 1.406 21 residues pruned to eliminate duplicates Z: 8 7.022 1.661 0.209 0.685 0.857 0.429 CB 1.302 Z: 23 23.314 1.778 0.805 0.878 0.909 0.727 CB 1.236 23 residues pruned to eliminate duplicates Z: 14 11.837 1.454 0.460 0.871 1.000 0.846 CA 1.128 Z: 28 31.825 1.916 0.687 0.939 1.000 0.852 CA 1.317 28 residues pruned to eliminate duplicates Z: 28 27.457 1.728 0.695 0.905 0.963 0.889 CB 1.333 29 residues pruned to eliminate duplicates Z: 22 18.175 1.660 0.596 0.778 0.952 0.762 CB 1.230 22 residues pruned to eliminate duplicates Z: 28 37.578 1.937 0.866 0.923 1.000 0.815 CA 1.406 28 residues pruned to eliminate duplicates Z: 30 30.021 1.770 0.732 0.896 0.966 0.690 CB 1.350 30 residues pruned to eliminate duplicates Z: 30 35.295 2.011 0.756 0.928 0.966 0.793 CB 1.345 30 residues pruned to eliminate duplicates Z: 27 33.740 1.948 0.825 0.906 1.000 0.846 CA 1.324 27 residues pruned to eliminate duplicates Z: 26 38.519 1.940 0.897 0.940 1.000 0.760 CA 1.454 26 residues pruned to eliminate duplicates Z: 28 31.258 1.744 0.825 0.927 1.000 0.704 CB 1.324 28 residues pruned to eliminate duplicates Z: 28 25.932 1.751 0.645 0.916 0.926 0.889 CB 1.321 28 residues pruned to eliminate duplicates Z: 25 22.400 1.768 0.405 0.925 1.000 0.958 CA 1.292 25 residues pruned to eliminate duplicates Z: 10 6.856 1.386 0.620 0.851 0.889 0.556 CB 0.848 9 residues pruned to eliminate duplicates Z: 31 44.194 2.034 0.926 0.942 1.000 0.900 CA 1.429 31 residues pruned to eliminate duplicates Z: 29 29.997 1.794 0.924 0.843 0.964 0.536 CB 1.268 29 residues pruned to eliminate duplicates Z: 19 25.056 1.859 0.837 0.877 1.000 0.500 CB 1.256 19 residues pruned to eliminate duplicates Z: 50 39.162 1.925 1.007 0.709 0.939 0.633 CB 1.276 63 residues pruned to eliminate duplicates Z: 34 37.251 1.813 1.157 0.943 0.939 0.667 CB 1.223 34 residues pruned to eliminate duplicates Z: 27 32.488 1.875 0.769 0.935 1.000 0.923 CA 1.339 27 residues pruned to eliminate duplicates Z: 29 28.491 1.738 1.052 0.925 0.929 0.429 CB 1.141 29 residues pruned to eliminate duplicates Z: 30 36.136 2.067 0.718 0.921 1.000 0.862 CA 1.330 30 residues pruned to eliminate duplicates Z: 21 27.534 1.892 0.778 0.944 1.000 0.750 CB 1.268 21 residues pruned to eliminate duplicates Z: 34 40.419 1.920 1.100 0.928 1.000 0.515 CB 1.222 34 residues pruned to eliminate duplicates Z: 6 3.434 1.398 0.756 0.779 0.800 0.800 CB 0.611 Z: 59 42.819 1.879 0.684 0.855 0.966 0.845 CB 1.358 59 residues pruned to eliminate duplicates Z: 31 39.018 1.985 0.763 0.935 1.000 0.800 CB 1.419 31 residues pruned to eliminate duplicates Z: 29 27.044 1.698 0.776 0.915 0.964 0.821 CB 1.242 29 residues pruned to eliminate duplicates Z: 17 12.679 1.578 0.480 0.893 0.938 0.812 CB 1.039 17 residues pruned to eliminate duplicates Z: 31 35.113 1.954 0.824 0.847 0.933 0.700 CA 1.431 31 residues pruned to eliminate duplicates Z: 16 18.459 1.609 0.957 0.874 1.000 0.867 CB 1.102 15 residues pruned to eliminate duplicates Z: 27 29.668 1.911 0.715 0.928 1.000 0.962 CA 1.243 28 residues pruned to eliminate duplicates Z: 7 2.141 1.237 0.669 0.295 0.667 0.500 N 0.799 Z: 6 4.360 1.647 0.252 0.509 0.800 0.400 CA 1.172 Z: 29 40.907 1.975 0.846 0.908 1.000 0.821 CA 1.507 29 residues pruned to eliminate duplicates Z: 9 4.378 1.285 0.671 0.876 1.000 0.875 CB 0.524 Z: 38 36.537 1.883 0.659 0.922 1.000 0.892 CA 1.351 38 residues pruned to eliminate duplicates Z: 16 25.954 1.938 0.795 0.896 0.933 0.800 CA 1.479 16 residues pruned to eliminate duplicates Z: 7 3.529 1.605 -0.045 0.513 0.833 0.500 CB 1.114 Z: 26 41.724 1.965 1.004 0.946 1.000 0.760 CA 1.466 26 residues pruned to eliminate duplicates Z: 20 29.289 1.924 0.954 0.821 0.947 0.684 CA 1.429 20 residues pruned to eliminate duplicates Z: 26 26.299 1.710 0.837 0.938 0.960 0.720 CB 1.213 26 residues pruned to eliminate duplicates Z: 34 28.465 1.733 0.861 0.904 0.879 0.515 CB 1.245 34 residues pruned to eliminate duplicates Z: 20 36.949 1.998 1.103 0.924 1.000 0.737 CA 1.416 20 residues pruned to eliminate duplicates Z: 22 16.139 1.566 0.646 0.898 1.000 0.524 CB 0.978 23 residues pruned to eliminate duplicates Z: 8 2.556 1.627 0.358 0.790 1.000 0.857 CB 0.339 Z: 18 17.245 1.653 0.488 0.893 0.941 0.824 CB 1.297 18 residues pruned to eliminate duplicates Z: 29 27.738 1.666 0.587 0.920 1.000 0.857 CA 1.395 29 residues pruned to eliminate duplicates Z: 24 16.047 1.577 0.573 0.830 0.870 0.696 CB 1.167 24 residues pruned to eliminate duplicates Z: 24 26.753 1.927 0.713 0.903 0.957 0.826 CA 1.260 24 residues pruned to eliminate duplicates Z: 21 14.785 1.563 0.637 0.900 0.800 0.400 CB 1.154 21 residues pruned to eliminate duplicates Z: 11 14.371 1.869 0.487 0.921 1.000 0.900 CB 1.150 11 residues pruned to eliminate duplicates Z: 69 61.934 1.930 1.100 0.821 0.956 0.647 CB 1.467 69 residues pruned to eliminate duplicates Z: 17 11.145 1.683 0.430 0.639 0.812 0.750 CB 1.251 17 residues pruned to eliminate duplicates Z: 9 8.442 1.466 0.439 0.862 0.875 0.750 CB 1.187 9 residues pruned to eliminate duplicates Z: 30 29.945 1.697 1.105 0.876 0.966 0.621 CB 1.171 30 residues pruned to eliminate duplicates Z: 36 32.135 1.740 0.924 0.917 0.914 0.714 CB 1.252 36 residues pruned to eliminate duplicates Z: 28 30.727 1.739 0.769 0.948 1.000 0.963 CB 1.327 28 residues pruned to eliminate duplicates Z: 26 26.331 1.760 0.667 0.930 1.000 0.880 CB 1.256 26 residues pruned to eliminate duplicates Z: 22 21.211 1.606 0.777 0.886 1.000 0.857 CB 1.170 22 residues pruned to eliminate duplicates Z: 33 48.217 1.923 1.128 0.962 1.000 0.875 CB 1.425 33 residues pruned to eliminate duplicates Z: 22 26.083 1.735 0.924 0.934 1.000 0.619 CB 1.189 22 residues pruned to eliminate duplicates Z: 7 13.533 1.781 0.974 0.874 0.833 0.333 CA 1.373 7 residues pruned to eliminate duplicates Z: 7 4.508 1.366 0.516 0.875 1.000 0.833 CB 0.647 Z: 12 11.203 2.008 0.074 0.834 1.000 1.000 CA 1.174 12 residues pruned to eliminate duplicates Z: 21 23.017 1.760 0.963 0.922 1.000 0.850 CB 1.047 21 residues pruned to eliminate duplicates Z: 6 3.909 1.488 0.187 0.546 0.800 0.800 N 1.183 Z: 7 2.524 1.449 0.606 0.368 0.500 0.333 N 1.020 Z: 69 41.803 1.703 0.995 0.926 0.912 0.559 CB 1.148 59 residues pruned to eliminate duplicates Z: 11 7.426 1.509 0.633 0.706 0.800 0.300 CB 0.988 11 residues pruned to eliminate duplicates Z: 29 48.669 1.984 1.303 0.940 1.000 0.714 CB 1.398 29 residues pruned to eliminate duplicates Z: 36 45.736 1.888 0.950 0.919 1.000 0.886 CA 1.479 36 residues pruned to eliminate duplicates Z: 23 29.467 1.985 0.741 0.896 1.000 0.818 CA 1.302 23 residues pruned to eliminate duplicates Z: 28 29.830 1.739 0.839 0.920 1.000 0.741 CB 1.264 28 residues pruned to eliminate duplicates Z: 15 23.481 1.875 0.908 0.906 1.000 0.857 CB 1.247 18 residues pruned to eliminate duplicates Z: 28 41.145 1.926 1.017 0.932 1.000 0.741 CA 1.424 27 residues pruned to eliminate duplicates Z: 23 26.944 1.758 0.936 0.932 1.000 0.500 CB 1.178 23 residues pruned to eliminate duplicates Z: 28 28.570 1.646 0.914 0.882 1.000 0.667 CB 1.263 28 residues pruned to eliminate duplicates Z: 12 13.467 1.526 0.743 0.925 0.909 0.818 CA 1.178 Z: 26 28.589 1.753 0.783 0.939 1.000 0.600 CB 1.271 26 residues pruned to eliminate duplicates Z: 30 50.577 1.970 1.112 0.935 1.000 0.724 CB 1.573 30 residues pruned to eliminate duplicates Z: 14 14.943 1.454 0.872 0.814 1.000 0.769 CB 1.159 12 residues pruned to eliminate duplicates Z: 26 31.112 1.791 1.008 0.913 1.000 0.600 CB 1.224 25 residues pruned to eliminate duplicates Z: 37 29.134 1.699 0.895 0.885 0.944 0.556 CB 1.153 37 residues pruned to eliminate duplicates Z: 25 18.882 1.692 0.368 0.917 0.958 0.875 CA 1.226 23 residues pruned to eliminate duplicates Z: 10 3.204 1.574 0.149 0.412 0.778 0.556 CA 0.833 10 residues pruned to eliminate duplicates Z: 26 32.520 1.845 0.864 0.894 1.000 0.880 CB 1.357 29 residues pruned to eliminate duplicates Z: 31 40.332 1.974 1.236 0.908 1.000 0.667 CB 1.184 31 residues pruned to eliminate duplicates Z: 37 25.927 1.694 0.601 0.885 0.944 0.694 CB 1.218 37 residues pruned to eliminate duplicates Z: 13 8.835 1.562 0.571 0.555 0.833 0.583 CB 1.182 13 residues pruned to eliminate duplicates Z: 6 2.534 1.317 0.309 0.351 0.800 0.400 O 0.966 Z: 22 37.957 1.953 1.369 0.935 0.905 0.429 CB 1.379 22 residues pruned to eliminate duplicates Z: 32 39.734 1.879 1.066 0.883 0.968 0.806 CA 1.373 32 residues pruned to eliminate duplicates Z: 37 37.360 1.948 0.656 0.920 1.000 0.972 CA 1.360 37 residues pruned to eliminate duplicates Z: 28 32.081 1.740 1.085 0.955 1.000 0.815 CB 1.169 28 residues pruned to eliminate duplicates Z: 7 7.577 1.545 0.564 0.709 0.833 0.500 CA 1.270 7 residues pruned to eliminate duplicates Z: 29 32.796 1.788 0.923 0.908 1.000 0.643 CB 1.281 27 residues pruned to eliminate duplicates Z: 8 4.443 1.471 0.258 0.519 0.857 0.571 CB 1.039 9 residues pruned to eliminate duplicates Z: 24 25.575 1.929 0.814 0.733 0.913 0.696 CA 1.354 24 residues pruned to eliminate duplicates Z: 15 19.273 1.858 0.876 0.886 0.857 0.643 CB 1.243 15 residues pruned to eliminate duplicates Z: 11 14.958 1.642 0.574 0.916 1.000 1.000 CB 1.292 11 residues pruned to eliminate duplicates Z: 60 63.255 1.983 1.100 0.880 0.983 0.593 CB 1.458 60 residues pruned to eliminate duplicates Z: 23 28.694 1.865 0.925 0.891 1.000 0.682 CB 1.225 23 residues pruned to eliminate duplicates Z: 15 16.567 1.661 0.927 0.854 1.000 0.786 CB 1.021 15 residues pruned to eliminate duplicates Z: 41 36.669 1.831 0.866 0.823 0.975 0.675 CB 1.316 40 residues pruned to eliminate duplicates Z: 11 12.196 1.359 0.891 0.884 1.000 0.800 N 1.085 Z: 8 7.835 1.582 0.509 0.722 0.857 0.571 N 1.184 8 residues pruned to eliminate duplicates Z: 34 41.864 1.940 1.200 0.965 1.000 0.545 CB 1.165 34 residues pruned to eliminate duplicates Z: 24 28.946 1.862 1.080 0.936 0.957 0.739 CB 1.134 24 residues pruned to eliminate duplicates Z: 10 12.824 1.481 0.778 0.842 1.000 0.778 CB 1.210 11 residues pruned to eliminate duplicates Z: 35 32.714 1.793 0.915 0.912 0.941 0.647 CB 1.229 35 residues pruned to eliminate duplicates Z: 32 17.010 1.458 0.379 0.862 0.968 0.806 CA 1.153 32 residues pruned to eliminate duplicates Z: 23 15.977 1.551 0.554 0.836 0.955 0.636 CB 1.108 23 residues pruned to eliminate duplicates Z: 38 32.040 1.780 0.750 0.813 0.973 0.784 CB 1.324 38 residues pruned to eliminate duplicates Z: 28 24.342 1.722 0.563 0.899 1.000 0.852 CA 1.245 27 residues pruned to eliminate duplicates Z: 70 67.441 1.961 1.099 0.856 0.971 0.797 CB 1.498 141 residues pruned to eliminate duplicates Z: 36 29.638 1.723 0.621 0.910 0.971 0.771 CB 1.310 36 residues pruned to eliminate duplicates Z: 25 17.804 1.606 0.678 0.764 0.875 0.667 CB 1.219 Z: 9 4.860 1.416 0.114 0.454 1.000 0.500 CB 1.141 Z: 27 29.638 1.855 0.765 0.908 1.000 0.731 CB 1.261 27 residues pruned to eliminate duplicates Z: 7 2.683 1.478 -0.019 0.444 0.833 0.333 CB 0.960 Z: 37 55.932 1.936 1.244 0.934 1.000 0.861 CA 1.497 37 residues pruned to eliminate duplicates Z: 9 5.101 1.543 0.465 0.481 0.750 0.750 CB 1.085 9 residues pruned to eliminate duplicates Z: 36 26.572 1.689 0.678 0.755 1.000 0.800 CB 1.263 43 residues pruned to eliminate duplicates Z: 8 4.718 1.521 0.389 0.587 0.857 0.857 CB 0.906 Z: 10 7.929 1.441 0.344 0.824 0.889 0.778 CA 1.160 10 residues pruned to eliminate duplicates Z: 6 3.881 1.072 0.612 0.806 1.000 0.800 C 0.769 Z: 26 25.782 1.759 0.808 0.897 0.960 0.640 CB 1.209 26 residues pruned to eliminate duplicates Z: 20 21.342 1.672 0.946 0.858 0.947 0.632 CB 1.169 20 residues pruned to eliminate duplicates Z: 63 60.861 1.952 1.025 0.854 0.984 0.742 CB 1.468 63 residues pruned to eliminate duplicates Z: 38 28.673 1.666 0.534 0.916 1.000 0.865 CB 1.303 38 residues pruned to eliminate duplicates Z: 19 24.056 1.823 0.792 0.814 1.000 0.611 CB 1.321 19 residues pruned to eliminate duplicates Z: 10 9.910 1.445 0.438 0.894 1.000 0.889 CA 1.141 10 residues pruned to eliminate duplicates Z: 25 18.788 1.686 0.577 0.662 0.917 0.667 CB 1.355 25 residues pruned to eliminate duplicates Z: 14 12.325 1.500 0.793 0.931 1.000 0.538 CB 0.888 14 residues pruned to eliminate duplicates Z: 7 4.488 1.220 0.218 0.847 1.000 0.833 CB 0.916 7 residues pruned to eliminate duplicates Z: 11 12.644 1.694 0.830 0.834 0.800 0.700 CA 1.209 11 residues pruned to eliminate duplicates Z: 18 13.277 1.743 0.409 0.584 0.941 0.588 CB 1.286 18 residues pruned to eliminate duplicates Z: 7 4.370 1.706 0.401 0.617 0.667 0.667 CB 1.003 Z: 21 24.330 1.756 1.112 0.946 1.000 0.700 CB 1.014 Z: 16 11.203 1.602 0.504 0.854 0.800 0.533 CB 1.108 16 residues pruned to eliminate duplicates Z: 7 2.369 1.254 0.832 0.255 0.667 0.500 N 0.837 Z: 13 3.698 1.379 0.404 0.283 0.750 0.250 CB 0.939 Z: 6 3.907 1.418 0.568 0.782 1.000 0.600 CB 0.613 8 residues pruned to eliminate duplicates Z: 25 22.501 1.783 0.414 0.923 1.000 0.875 CB 1.280 25 residues pruned to eliminate duplicates Z: 16 11.602 1.412 0.345 0.898 1.000 0.800 CB 1.128 17 residues pruned to eliminate duplicates 6 1.666 1.488 0.036 0.335 0.800 0.400 CB 0.723 ? Z: 34 38.106 1.816 1.099 0.816 0.939 0.606 CA 1.408 34 residues pruned to eliminate duplicates Z: 34 43.056 1.964 0.989 0.960 1.000 0.667 CB 1.314 34 residues pruned to eliminate duplicates Z: 26 31.359 1.804 1.037 0.961 0.960 0.640 CB 1.217 26 residues pruned to eliminate duplicates Z: 32 23.157 1.802 0.498 0.731 0.968 0.710 CA 1.294 32 residues pruned to eliminate duplicates Z: 9 3.348 1.332 0.671 0.306 0.750 0.375 N 0.880 9 residues pruned to eliminate duplicates Z: 12 14.792 1.713 0.503 0.902 1.000 0.909 CB 1.236 12 residues pruned to eliminate duplicates Z: 7 4.866 1.343 0.587 0.521 1.000 0.500 CB 0.913 6 1.467 1.583 0.976 0.844 1.000 0.600 CB 0.156 ? Z: 22 19.363 1.876 0.531 0.670 1.000 0.810 CA 1.257 22 residues pruned to eliminate duplicates Z: 9 6.305 1.455 0.462 0.780 1.000 0.625 CB 0.819 Z: 7 4.708 1.424 0.428 0.827 1.000 0.333 CB 0.712 7 residues pruned to eliminate duplicates Z: 33 24.573 1.705 0.819 0.756 0.875 0.625 CB 1.275 33 residues pruned to eliminate duplicates Z: 15 8.201 1.391 0.413 0.860 0.857 0.714 CB 0.956 15 residues pruned to eliminate duplicates Z: 37 44.172 1.948 0.890 0.940 1.000 0.889 CA 1.389 37 residues pruned to eliminate duplicates Z: 20 11.462 1.367 0.682 0.891 0.947 0.737 CA 0.868 20 residues pruned to eliminate duplicates Z: 27 20.880 1.717 0.414 0.928 0.923 0.885 CA 1.280 27 residues pruned to eliminate duplicates Z: 23 19.065 1.492 0.621 0.886 1.000 0.682 CB 1.212 18 residues pruned to eliminate duplicates Z: 15 15.939 1.548 0.652 0.811 1.000 0.786 CB 1.271 15 residues pruned to eliminate duplicates Z: 29 32.087 1.956 0.928 0.832 0.893 0.786 CB 1.352 29 residues pruned to eliminate duplicates Z: 14 19.500 1.879 0.704 0.849 1.000 0.769 CB 1.252 14 residues pruned to eliminate duplicates Z: 30 42.728 2.037 0.927 0.955 1.000 0.793 CB 1.389 30 residues pruned to eliminate duplicates Z: 6 3.228 1.498 0.621 0.750 0.800 0.800 CB 0.594 Z: 19 19.524 1.804 0.408 0.888 1.000 0.833 CA 1.305 19 residues pruned to eliminate duplicates Z: 14 11.184 1.570 0.574 0.918 1.000 0.846 CB 0.885 13 residues pruned to eliminate duplicates Z: 26 33.015 1.802 0.977 0.930 1.000 0.840 CB 1.296 26 residues pruned to eliminate duplicates Z: 33 44.217 1.953 1.144 0.961 1.000 0.750 CB 1.278 33 residues pruned to eliminate duplicates Z: 31 29.265 1.675 0.876 0.915 0.967 0.633 CB 1.243 31 residues pruned to eliminate duplicates Z: 21 15.229 1.561 0.292 0.916 0.950 0.950 CB 1.255 21 residues pruned to eliminate duplicates Z: 26 13.209 1.367 0.394 0.861 0.960 0.640 CA 1.061 26 residues pruned to eliminate duplicates Z: 40 43.029 1.881 1.053 0.855 0.923 0.718 CA 1.426 40 residues pruned to eliminate duplicates Z: 23 14.777 1.378 0.668 0.931 1.000 0.864 CB 0.958 24 residues pruned to eliminate duplicates Z: 25 25.849 2.006 0.732 0.870 1.000 0.958 CA 1.108 25 residues pruned to eliminate duplicates Z: 29 16.687 1.417 0.456 0.870 1.000 0.679 CA 1.116 33 residues pruned to eliminate duplicates Z: 23 29.445 1.796 0.903 0.943 0.955 0.773 CB 1.333 23 residues pruned to eliminate duplicates Z: 8 11.406 1.555 0.732 0.899 1.000 0.857 CB 1.144 8 residues pruned to eliminate duplicates Z: 6 2.535 1.071 0.841 0.490 0.800 0.400 CB 0.726 Z: 28 15.598 1.382 0.560 0.875 0.963 0.741 CB 1.051 28 residues pruned to eliminate duplicates Z: 10 7.109 1.480 0.333 0.889 0.889 0.778 CB 0.972 10 residues pruned to eliminate duplicates Z: 7 3.450 1.346 0.506 0.522 0.833 0.833 CA 0.816 7 residues pruned to eliminate duplicates 519 residues left after pruning, divided into chains as follows: A: 28 B: 29 C: 78 D: 58 E: 71 F: 72 G: 14 H: 26 I: 60 J: 21 K: 37 L: 25 CC for partial structure against native data = 47.03 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.457, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.761 for dens.mod. cycle 2 = 0.300, Contrast = 0.647, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.659, Connect. = 0.790 for dens.mod. cycle 4 = 0.300, Contrast = 0.669, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.672, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.676, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.677, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.678, Connect. = 0.796 for dens.mod. cycle 9 = 0.300, Contrast = 0.678, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2584 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 594 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 38 47.770 2.013 0.913 0.936 1.000 0.838 CA 1.420 B: 37 52.459 2.018 0.980 0.935 1.000 0.778 CA 1.525 38 residues pruned to eliminate duplicates C: 35 29.751 2.011 0.300 0.937 1.000 0.824 CB 1.358 D: 30 44.828 2.056 0.984 0.914 1.000 0.759 CA 1.443 E: 34 34.915 2.044 0.408 0.946 1.000 0.879 CB 1.460 35 residues pruned to eliminate duplicates F: 22 33.356 2.094 0.680 0.917 1.000 0.857 CB 1.461 21 residues pruned to eliminate duplicates G: 28 48.281 2.127 1.139 0.947 0.963 0.741 CB 1.466 30 residues pruned to eliminate duplicates H: 21 30.282 1.957 0.785 0.872 0.950 0.700 CA 1.487 I: 23 40.830 2.144 0.987 0.923 1.000 0.909 CB 1.436 23 residues pruned to eliminate duplicates J: 34 31.870 2.015 0.337 0.947 1.000 0.818 CB 1.423 34 residues pruned to eliminate duplicates K: 9 7.580 1.973 0.118 0.560 0.875 0.500 CB 1.309 7 residues pruned to eliminate duplicates L: 36 46.744 2.145 0.721 0.940 0.971 0.914 CA 1.530 M: 21 29.948 2.185 0.475 0.914 0.950 0.850 CA 1.547 N: 27 43.862 2.073 0.885 0.941 0.962 0.808 CA 1.589 21 residues pruned to eliminate duplicates O: 34 31.583 2.031 0.380 0.936 1.000 0.909 CB 1.366 34 residues pruned to eliminate duplicates P: 27 34.955 1.920 0.695 0.924 1.000 0.654 CB 1.479 Q: 32 31.141 1.944 0.581 0.919 0.935 0.742 CB 1.371 R: 39 46.606 1.955 0.910 0.919 1.000 0.895 CA 1.427 39 residues pruned to eliminate duplicates S: 27 40.104 2.086 0.735 0.939 1.000 0.808 CA 1.510 26 residues pruned to eliminate duplicates T: 36 45.350 2.110 0.702 0.955 0.971 0.771 CA 1.510 36 residues pruned to eliminate duplicates U: 23 35.829 2.087 0.812 0.915 0.955 0.591 CB 1.495 26 residues pruned to eliminate duplicates V: 36 29.881 1.804 0.606 0.878 0.943 0.714 CB 1.342 W: 31 42.166 2.023 0.827 0.934 1.000 0.800 CB 1.452 32 residues pruned to eliminate duplicates X: 29 35.067 2.003 0.678 0.883 0.964 0.786 CA 1.479 29 residues pruned to eliminate duplicates Y: 29 47.667 2.004 0.954 0.949 1.000 0.821 CB 1.588 23 residues pruned to eliminate duplicates Z: 30 43.690 2.079 0.851 0.948 1.000 0.931 CA 1.456 30 residues pruned to eliminate duplicates Z: 30 43.739 2.094 0.922 0.949 0.966 0.621 CB 1.443 31 residues pruned to eliminate duplicates Z: 23 30.635 2.147 0.650 0.943 1.000 0.773 CB 1.277 23 residues pruned to eliminate duplicates Z: 27 29.724 2.025 0.624 0.871 0.962 0.808 CB 1.345 27 residues pruned to eliminate duplicates Z: 21 26.786 2.036 0.542 0.890 1.000 0.950 CA 1.372 21 residues pruned to eliminate duplicates Z: 39 38.679 1.934 0.739 0.854 0.947 0.763 CA 1.455 39 residues pruned to eliminate duplicates Z: 21 37.838 2.016 0.880 0.934 1.000 0.850 CA 1.558 21 residues pruned to eliminate duplicates Z: 22 34.502 1.891 1.013 0.937 0.952 0.762 CB 1.445 22 residues pruned to eliminate duplicates Z: 38 53.727 2.025 0.985 0.931 1.000 0.892 CA 1.536 37 residues pruned to eliminate duplicates Z: 32 33.471 1.989 0.511 0.899 0.968 0.968 CA 1.477 32 residues pruned to eliminate duplicates Z: 38 42.123 1.981 0.721 0.901 1.000 0.730 CA 1.449 39 residues pruned to eliminate duplicates Z: 37 42.367 2.055 0.915 0.904 0.917 0.583 CB 1.394 37 residues pruned to eliminate duplicates Z: 30 41.003 2.088 0.834 0.935 0.966 0.724 CB 1.435 30 residues pruned to eliminate duplicates Z: 30 45.256 2.102 0.950 0.940 0.966 0.724 CB 1.475 30 residues pruned to eliminate duplicates Z: 37 39.469 2.058 0.655 0.946 0.972 0.806 CA 1.374 36 residues pruned to eliminate duplicates Z: 28 40.382 2.022 0.730 0.944 1.000 0.926 CA 1.539 28 residues pruned to eliminate duplicates Z: 25 41.419 2.126 0.882 0.955 0.958 0.917 CA 1.516 26 residues pruned to eliminate duplicates Z: 18 21.082 1.894 0.376 0.913 0.941 0.882 CA 1.476 18 residues pruned to eliminate duplicates Z: 26 42.321 2.102 0.770 0.948 1.000 0.880 CA 1.571 26 residues pruned to eliminate duplicates Z: 35 40.169 1.957 0.863 0.887 1.000 0.794 CA 1.362 35 residues pruned to eliminate duplicates Z: 30 35.910 2.058 0.607 0.951 1.000 0.931 CA 1.389 29 residues pruned to eliminate duplicates Z: 33 40.519 2.037 0.757 0.947 1.000 0.844 CB 1.383 35 residues pruned to eliminate duplicates Z: 30 45.241 2.049 1.051 0.943 1.000 0.862 CB 1.386 30 residues pruned to eliminate duplicates Z: 18 39.029 2.145 1.106 0.949 1.000 0.706 CB 1.446 19 residues pruned to eliminate duplicates Z: 36 38.820 1.975 0.778 0.938 0.971 0.771 CB 1.338 34 residues pruned to eliminate duplicates Z: 36 42.970 2.124 0.720 0.932 0.943 0.743 CB 1.473 36 residues pruned to eliminate duplicates Z: 36 52.277 2.134 1.008 0.935 0.971 0.600 CB 1.479 36 residues pruned to eliminate duplicates Z: 36 28.917 1.806 0.598 0.925 0.914 0.657 CB 1.300 35 residues pruned to eliminate duplicates Z: 36 44.358 2.128 0.707 0.944 0.971 0.771 CA 1.472 36 residues pruned to eliminate duplicates Z: 29 51.319 2.117 1.194 0.938 1.000 0.821 CB 1.452 29 residues pruned to eliminate duplicates Z: 24 38.152 2.040 0.782 0.931 1.000 0.522 CB 1.529 24 residues pruned to eliminate duplicates Z: 34 41.710 2.036 0.725 0.903 1.000 0.909 CA 1.473 34 residues pruned to eliminate duplicates Z: 36 55.700 2.139 1.179 0.924 0.971 0.486 CB 1.460 36 residues pruned to eliminate duplicates Z: 17 25.946 2.170 0.667 0.922 1.000 0.875 CB 1.261 17 residues pruned to eliminate duplicates Z: 37 33.996 1.834 0.690 0.911 0.972 0.667 CB 1.332 37 residues pruned to eliminate duplicates Z: 18 33.754 2.146 0.908 0.936 0.941 0.765 CB 1.479 18 residues pruned to eliminate duplicates Z: 27 30.386 1.849 0.760 0.850 0.962 0.808 CB 1.411 27 residues pruned to eliminate duplicates Z: 11 19.293 1.902 0.611 0.935 1.000 0.900 CA 1.387 Z: 50 44.255 2.106 0.676 0.823 0.939 0.755 CA 1.442 51 residues pruned to eliminate duplicates Z: 30 39.518 1.968 0.717 0.918 1.000 0.793 CA 1.532 30 residues pruned to eliminate duplicates Z: 25 37.271 2.141 0.612 0.933 1.000 0.917 CA 1.538 25 residues pruned to eliminate duplicates Z: 33 34.995 2.034 0.583 0.940 1.000 0.812 CB 1.334 33 residues pruned to eliminate duplicates Z: 51 47.126 2.004 1.000 0.715 0.920 0.600 CB 1.488 51 residues pruned to eliminate duplicates Z: 31 40.970 2.060 0.632 0.953 1.000 0.867 CA 1.532 31 residues pruned to eliminate duplicates Z: 29 39.523 2.023 0.759 0.904 1.000 0.821 CA 1.495 28 residues pruned to eliminate duplicates Z: 35 42.625 2.017 0.813 0.945 1.000 0.735 CB 1.384 36 residues pruned to eliminate duplicates Z: 37 46.130 2.071 0.965 0.929 0.972 0.528 CB 1.361 37 residues pruned to eliminate duplicates Z: 30 42.528 2.071 0.913 0.946 0.966 0.793 CB 1.428 30 residues pruned to eliminate duplicates Z: 30 44.446 2.083 0.887 0.940 1.000 1.000 CA 1.458 30 residues pruned to eliminate duplicates Z: 29 28.651 1.815 0.635 0.913 0.964 0.821 CB 1.338 Z: 28 43.488 2.103 1.242 0.924 0.926 0.481 CB 1.346 28 residues pruned to eliminate duplicates Z: 29 36.395 1.914 0.842 0.903 0.964 0.750 CB 1.442 29 residues pruned to eliminate duplicates Z: 32 33.376 1.897 0.816 0.826 0.935 0.548 CA 1.403 32 residues pruned to eliminate duplicates Z: 31 40.822 2.051 0.823 0.924 0.967 0.833 CB 1.448 31 residues pruned to eliminate duplicates Z: 37 41.030 2.066 0.719 0.930 0.972 0.861 CA 1.385 37 residues pruned to eliminate duplicates Z: 9 13.278 1.900 0.864 0.888 1.000 0.875 CB 0.955 Z: 25 36.477 2.013 0.664 0.935 1.000 0.875 CA 1.549 25 residues pruned to eliminate duplicates Z: 39 52.405 1.987 1.086 0.920 1.000 0.868 CA 1.444 39 residues pruned to eliminate duplicates Z: 38 54.245 1.993 1.088 0.928 0.973 0.865 CA 1.542 38 residues pruned to eliminate duplicates Z: 27 44.350 2.079 0.908 0.942 1.000 0.846 CA 1.520 27 residues pruned to eliminate duplicates Z: 32 42.295 1.991 0.918 0.914 1.000 0.742 CB 1.407 31 residues pruned to eliminate duplicates Z: 18 34.874 2.161 0.705 0.925 1.000 0.824 CB 1.610 18 residues pruned to eliminate duplicates Z: 19 34.523 2.053 0.990 0.940 0.944 0.722 CB 1.465 19 residues pruned to eliminate duplicates Z: 31 27.691 1.857 0.692 0.898 0.967 0.533 CB 1.191 21 residues pruned to eliminate duplicates Z: 12 19.174 2.024 0.453 0.847 0.909 0.727 CA 1.605 12 residues pruned to eliminate duplicates Z: 10 16.813 1.868 0.513 0.873 1.000 0.778 CB 1.444 10 residues pruned to eliminate duplicates Z: 27 22.768 2.072 0.068 0.929 1.000 0.962 CB 1.412 27 residues pruned to eliminate duplicates Z: 27 23.132 1.696 0.625 0.932 0.962 0.846 CB 1.195 Z: 35 42.096 2.015 1.008 0.960 1.000 0.676 CB 1.223 35 residues pruned to eliminate duplicates Z: 31 40.145 2.059 0.765 0.922 0.967 0.767 CB 1.468 31 residues pruned to eliminate duplicates Z: 27 35.825 2.098 0.546 0.937 1.000 0.846 CA 1.508 27 residues pruned to eliminate duplicates Z: 29 37.019 2.013 0.628 0.918 1.000 0.643 CA 1.505 29 residues pruned to eliminate duplicates Z: 24 31.548 1.962 0.631 0.937 1.000 0.826 CA 1.431 24 residues pruned to eliminate duplicates Z: 35 32.756 2.131 0.351 0.955 1.000 0.853 CA 1.340 35 residues pruned to eliminate duplicates Z: 30 48.585 2.067 1.088 0.939 1.000 0.793 CA 1.453 30 residues pruned to eliminate duplicates Z: 30 40.560 2.081 0.892 0.945 0.966 0.621 CB 1.371 30 residues pruned to eliminate duplicates Z: 18 38.225 2.086 1.188 0.942 0.941 0.706 CA 1.497 18 residues pruned to eliminate duplicates Z: 29 35.497 2.008 0.645 0.921 0.964 0.821 CA 1.482 29 residues pruned to eliminate duplicates Z: 31 43.693 2.050 0.797 0.918 1.000 0.800 CB 1.527 31 residues pruned to eliminate duplicates Z: 33 34.279 2.040 0.532 0.948 1.000 0.812 CB 1.339 33 residues pruned to eliminate duplicates Z: 28 43.563 2.075 0.808 0.929 1.000 0.852 CA 1.564 28 residues pruned to eliminate duplicates Z: 29 29.398 1.790 0.794 0.915 0.964 0.750 CB 1.267 29 residues pruned to eliminate duplicates Z: 30 44.125 2.068 0.949 0.927 1.000 0.828 CA 1.425 29 residues pruned to eliminate duplicates Z: 37 51.588 2.035 0.924 0.949 1.000 0.806 CA 1.516 37 residues pruned to eliminate duplicates Z: 12 14.965 1.831 0.383 0.916 0.909 0.818 CA 1.385 12 residues pruned to eliminate duplicates Z: 21 27.826 2.014 0.684 0.879 0.950 0.800 CA 1.400 21 residues pruned to eliminate duplicates Z: 32 34.641 1.952 0.644 0.906 0.968 0.903 CB 1.425 32 residues pruned to eliminate duplicates Z: 22 31.384 1.975 0.743 0.851 1.000 0.857 CA 1.472 22 residues pruned to eliminate duplicates Z: 32 36.442 1.985 0.719 0.902 1.000 0.742 CB 1.367 32 residues pruned to eliminate duplicates Z: 39 44.631 1.969 0.886 0.936 1.000 0.711 CA 1.358 39 residues pruned to eliminate duplicates Z: 24 38.625 2.084 0.684 0.921 1.000 0.913 CA 1.615 24 residues pruned to eliminate duplicates Z: 37 32.846 1.777 0.606 0.889 1.000 0.750 CB 1.382 37 residues pruned to eliminate duplicates Z: 12 24.003 1.991 1.136 0.876 0.909 0.545 CB 1.361 12 residues pruned to eliminate duplicates Z: 31 40.877 2.049 0.629 0.955 1.000 0.867 CA 1.537 31 residues pruned to eliminate duplicates Z: 28 32.880 1.816 0.882 0.929 1.000 0.778 CB 1.296 11 residues pruned to eliminate duplicates Z: 29 28.554 1.921 0.863 0.880 0.857 0.536 CB 1.275 30 residues pruned to eliminate duplicates Z: 19 25.191 1.913 0.461 0.945 1.000 0.889 CA 1.471 19 residues pruned to eliminate duplicates Z: 35 42.767 1.992 1.050 0.947 1.000 0.618 CB 1.241 34 residues pruned to eliminate duplicates Z: 38 38.333 2.012 0.634 0.900 1.000 0.811 CA 1.369 38 residues pruned to eliminate duplicates Z: 22 23.716 1.722 0.870 0.874 0.952 0.619 CB 1.228 22 residues pruned to eliminate duplicates Z: 11 12.857 1.777 0.474 0.875 0.900 0.800 CA 1.254 11 residues pruned to eliminate duplicates Z: 30 30.791 1.828 0.824 0.874 1.000 0.724 CB 1.248 30 residues pruned to eliminate duplicates Z: 27 27.658 1.930 0.524 0.902 1.000 0.923 CB 1.316 27 residues pruned to eliminate duplicates Z: 21 18.860 1.807 0.684 0.903 0.950 0.700 CB 1.039 9 residues pruned to eliminate duplicates Z: 31 42.954 2.072 0.792 0.917 1.000 0.733 CB 1.490 31 residues pruned to eliminate duplicates Z: 29 35.763 1.989 0.607 0.917 1.000 0.821 CA 1.493 29 residues pruned to eliminate duplicates Z: 8 4.486 1.556 0.730 0.377 0.714 0.429 CB 1.006 Z: 20 28.183 1.886 0.845 0.790 0.947 0.842 CA 1.520 Z: 36 44.772 1.992 0.902 0.903 0.943 0.686 CA 1.509 36 residues pruned to eliminate duplicates Z: 17 25.295 1.802 0.908 0.880 1.000 0.750 CA 1.333 17 residues pruned to eliminate duplicates Z: 29 23.009 1.846 0.640 0.666 0.893 0.536 CB 1.379 24 residues pruned to eliminate duplicates Z: 36 55.663 2.108 1.001 0.936 1.000 0.714 CB 1.553 36 residues pruned to eliminate duplicates Z: 27 35.130 1.962 0.747 0.889 1.000 0.731 CA 1.446 27 residues pruned to eliminate duplicates Z: 20 24.676 1.814 0.954 0.944 0.947 0.737 CB 1.167 21 residues pruned to eliminate duplicates Z: 27 22.664 1.735 0.460 0.913 1.000 0.923 CA 1.241 26 residues pruned to eliminate duplicates Z: 7 11.506 1.708 0.919 0.686 0.833 0.167 N 1.450 7 residues pruned to eliminate duplicates Z: 28 40.048 2.022 0.763 0.896 1.000 0.667 CA 1.549 28 residues pruned to eliminate duplicates Z: 27 22.697 1.650 0.569 0.899 1.000 0.808 CB 1.229 Z: 24 27.393 1.813 0.721 0.929 0.913 0.826 CB 1.403 24 residues pruned to eliminate duplicates Z: 37 52.967 2.095 0.981 0.925 1.000 0.694 CB 1.492 37 residues pruned to eliminate duplicates Z: 100 74.030 2.084 0.939 0.803 0.939 0.687 CB 1.504 113 residues pruned to eliminate duplicates Z: 38 46.478 1.941 1.023 0.885 0.946 0.784 CB 1.485 38 residues pruned to eliminate duplicates Z: 35 32.066 1.977 0.689 0.895 0.941 0.676 CB 1.254 35 residues pruned to eliminate duplicates Z: 23 26.169 1.881 0.661 0.900 1.000 0.773 CB 1.275 25 residues pruned to eliminate duplicates Z: 16 14.011 1.684 0.432 0.850 1.000 0.667 CB 1.111 16 residues pruned to eliminate duplicates Z: 31 44.561 2.070 0.897 0.915 1.000 0.733 CB 1.464 31 residues pruned to eliminate duplicates Z: 33 31.678 2.035 0.296 0.952 1.000 0.969 CB 1.462 33 residues pruned to eliminate duplicates Z: 29 28.927 1.925 0.483 0.887 1.000 0.821 CA 1.381 29 residues pruned to eliminate duplicates Z: 29 31.364 1.797 1.092 0.924 0.929 0.571 CB 1.192 29 residues pruned to eliminate duplicates Z: 36 35.550 2.153 0.451 0.932 0.971 0.914 CA 1.383 36 residues pruned to eliminate duplicates Z: 26 22.057 1.746 0.506 0.911 0.960 0.880 CA 1.239 26 residues pruned to eliminate duplicates Z: 29 32.663 1.811 0.781 0.908 1.000 0.750 CB 1.359 29 residues pruned to eliminate duplicates Z: 48 31.306 1.955 0.457 0.747 0.894 0.766 CB 1.438 50 residues pruned to eliminate duplicates Z: 30 49.066 2.082 1.037 0.944 1.000 0.655 CB 1.488 31 residues pruned to eliminate duplicates Z: 36 46.432 2.137 0.743 0.950 1.000 0.743 CA 1.453 36 residues pruned to eliminate duplicates Z: 29 39.918 2.089 0.864 0.954 1.000 0.786 CB 1.333 29 residues pruned to eliminate duplicates Z: 38 53.036 2.049 1.119 0.931 0.973 0.676 CB 1.443 37 residues pruned to eliminate duplicates Z: 20 18.103 1.680 0.441 0.902 1.000 0.737 CB 1.224 20 residues pruned to eliminate duplicates Z: 27 20.840 1.596 0.682 0.885 0.923 0.769 CB 1.191 27 residues pruned to eliminate duplicates Z: 38 40.503 2.000 0.970 0.909 0.946 0.514 CB 1.268 38 residues pruned to eliminate duplicates Z: 29 43.010 2.094 0.839 0.956 1.000 0.893 CB 1.450 29 residues pruned to eliminate duplicates Z: 37 49.499 2.015 0.929 0.914 1.000 0.750 CA 1.501 37 residues pruned to eliminate duplicates Z: 9 11.542 1.875 0.509 0.861 0.875 0.625 CB 1.211 9 residues pruned to eliminate duplicates Z: 23 26.667 1.820 0.837 0.932 1.000 0.591 CB 1.188 23 residues pruned to eliminate duplicates Z: 25 23.621 1.639 0.803 0.880 0.958 0.917 CB 1.233 27 residues pruned to eliminate duplicates Z: 18 29.550 1.915 0.822 0.929 1.000 0.647 CB 1.438 18 residues pruned to eliminate duplicates Z: 22 31.940 1.936 0.998 0.861 0.952 0.857 CA 1.390 22 residues pruned to eliminate duplicates Z: 34 42.311 2.061 0.905 0.946 1.000 0.848 CB 1.297 35 residues pruned to eliminate duplicates Z: 21 28.099 1.923 0.875 0.896 1.000 0.650 CB 1.248 21 residues pruned to eliminate duplicates Z: 20 24.619 1.865 0.677 0.927 0.947 0.842 CB 1.336 20 residues pruned to eliminate duplicates Z: 29 30.186 1.788 0.857 0.935 0.964 0.679 CB 1.241 29 residues pruned to eliminate duplicates Z: 24 27.345 1.840 0.661 0.880 1.000 0.826 CB 1.352 23 residues pruned to eliminate duplicates Z: 29 26.556 1.780 0.343 0.917 1.000 0.893 CA 1.481 29 residues pruned to eliminate duplicates Z: 13 5.665 1.854 0.460 0.623 1.000 0.500 CB 0.538 13 residues pruned to eliminate duplicates Z: 24 29.968 2.033 0.517 0.911 1.000 0.870 CA 1.436 24 residues pruned to eliminate duplicates Z: 23 23.041 1.748 0.564 0.901 0.955 0.864 CB 1.344 23 residues pruned to eliminate duplicates Z: 21 24.551 2.030 0.567 0.909 0.950 0.850 CA 1.289 21 residues pruned to eliminate duplicates Z: 6 2.054 1.208 0.472 0.497 0.800 0.600 N 0.647 Z: 38 41.204 2.023 0.636 0.910 1.000 0.838 CA 1.451 38 residues pruned to eliminate duplicates Z: 22 30.276 1.968 0.729 0.849 1.000 0.476 CB 1.439 22 residues pruned to eliminate duplicates Z: 21 24.689 1.850 0.653 0.890 1.000 0.750 CA 1.299 21 residues pruned to eliminate duplicates Z: 29 42.667 2.085 0.827 0.953 1.000 0.857 CB 1.456 29 residues pruned to eliminate duplicates Z: 26 29.040 1.843 0.722 0.884 1.000 0.760 CB 1.322 26 residues pruned to eliminate duplicates Z: 30 21.780 1.594 0.624 0.909 0.966 0.621 CB 1.149 12 residues pruned to eliminate duplicates Z: 37 38.768 2.088 0.571 0.943 1.000 0.861 CA 1.364 37 residues pruned to eliminate duplicates Z: 36 39.537 2.130 0.581 0.940 0.971 0.857 CA 1.419 36 residues pruned to eliminate duplicates Z: 6 3.139 1.811 0.178 0.589 0.600 0.600 CB 1.007 6 residues pruned to eliminate duplicates Z: 38 51.290 2.016 1.004 0.917 1.000 0.811 CA 1.472 38 residues pruned to eliminate duplicates Z: 23 23.249 1.823 0.566 0.949 0.955 0.955 CB 1.256 23 residues pruned to eliminate duplicates Z: 48 42.906 2.006 0.782 0.820 0.915 0.745 CB 1.450 44 residues pruned to eliminate duplicates Z: 24 29.079 1.851 0.744 0.913 1.000 0.826 CB 1.329 24 residues pruned to eliminate duplicates Z: 22 23.735 2.110 0.214 0.932 1.000 0.905 CB 1.413 22 residues pruned to eliminate duplicates Z: 27 17.769 1.508 0.618 0.897 0.962 0.692 CB 1.063 Z: 37 27.092 1.805 0.255 0.925 0.972 0.889 CB 1.439 37 residues pruned to eliminate duplicates Z: 26 25.822 1.835 0.621 0.899 0.960 0.840 CB 1.293 26 residues pruned to eliminate duplicates Z: 24 24.333 1.727 0.434 0.918 0.957 0.696 CB 1.511 24 residues pruned to eliminate duplicates Z: 23 23.644 1.828 0.550 0.894 1.000 0.909 CA 1.276 23 residues pruned to eliminate duplicates Z: 26 24.720 1.767 0.522 0.888 1.000 0.840 CB 1.324 25 residues pruned to eliminate duplicates Z: 21 17.081 1.699 0.471 0.805 0.950 0.750 CB 1.233 21 residues pruned to eliminate duplicates Z: 19 30.242 1.904 0.865 0.947 1.000 0.778 CB 1.388 19 residues pruned to eliminate duplicates Z: 31 38.349 2.033 0.596 0.927 1.000 0.900 CB 1.512 31 residues pruned to eliminate duplicates Z: 36 30.412 2.109 0.342 0.949 1.000 0.943 CA 1.254 36 residues pruned to eliminate duplicates Z: 34 43.700 2.068 0.951 0.963 1.000 0.697 CB 1.289 34 residues pruned to eliminate duplicates Z: 18 22.768 2.075 0.355 0.931 1.000 0.824 CB 1.373 18 residues pruned to eliminate duplicates Z: 7 6.595 1.381 0.523 0.723 1.000 0.833 CB 1.047 7 residues pruned to eliminate duplicates Z: 29 28.684 1.916 0.637 0.885 0.929 0.643 CB 1.344 29 residues pruned to eliminate duplicates Z: 21 22.178 1.815 0.861 0.931 1.000 0.500 CB 1.026 21 residues pruned to eliminate duplicates Z: 24 35.209 2.049 0.625 0.938 1.000 0.870 CB 1.533 24 residues pruned to eliminate duplicates Z: 23 15.584 1.448 0.659 0.876 0.864 0.545 CB 1.164 Z: 70 66.935 2.128 0.928 0.815 0.971 0.725 CB 1.538 79 residues pruned to eliminate duplicates Z: 27 39.747 2.132 0.814 0.937 1.000 0.846 CB 1.403 27 residues pruned to eliminate duplicates Z: 32 44.523 1.971 0.966 0.923 1.000 0.742 CB 1.450 32 residues pruned to eliminate duplicates Z: 26 24.080 1.738 0.760 0.899 0.920 0.800 CB 1.223 28 residues pruned to eliminate duplicates Z: 24 27.267 2.022 0.281 0.933 1.000 0.957 CA 1.533 24 residues pruned to eliminate duplicates Z: 10 11.451 1.541 0.717 0.870 1.000 0.556 CB 1.053 10 residues pruned to eliminate duplicates Z: 28 32.417 1.963 0.736 0.885 0.963 0.704 CB 1.372 28 residues pruned to eliminate duplicates Z: 38 40.093 1.932 0.686 0.906 0.973 0.865 CA 1.479 38 residues pruned to eliminate duplicates Z: 38 41.740 2.011 0.680 0.921 1.000 0.946 CA 1.430 38 residues pruned to eliminate duplicates Z: 36 44.909 2.108 0.715 0.934 1.000 0.829 CA 1.464 36 residues pruned to eliminate duplicates Z: 22 16.931 1.482 0.756 0.857 0.857 0.429 N 1.220 23 residues pruned to eliminate duplicates Z: 38 44.251 1.987 0.733 0.937 0.973 0.811 CA 1.511 38 residues pruned to eliminate duplicates Z: 35 43.773 2.019 0.941 0.952 1.000 0.588 CB 1.319 35 residues pruned to eliminate duplicates Z: 29 46.029 2.082 0.963 0.949 1.000 0.821 CA 1.468 29 residues pruned to eliminate duplicates Z: 18 26.242 2.031 0.866 0.885 1.000 0.588 CB 1.212 18 residues pruned to eliminate duplicates Z: 18 29.370 1.886 0.691 0.936 1.000 0.941 CB 1.556 18 residues pruned to eliminate duplicates Z: 23 16.732 1.678 0.279 0.865 0.955 0.818 CB 1.275 23 residues pruned to eliminate duplicates Z: 29 34.831 1.791 0.969 0.925 1.000 0.464 CB 1.311 29 residues pruned to eliminate duplicates Z: 37 30.555 1.810 0.566 0.871 1.000 0.611 CB 1.310 37 residues pruned to eliminate duplicates Z: 21 21.507 1.819 0.652 0.925 1.000 0.750 CB 1.123 21 residues pruned to eliminate duplicates Z: 18 30.249 1.933 0.731 0.945 1.000 0.941 CB 1.516 18 residues pruned to eliminate duplicates Z: 29 25.012 1.877 0.366 0.891 1.000 0.893 CB 1.326 29 residues pruned to eliminate duplicates Z: 26 23.658 1.764 0.651 0.926 0.960 0.840 CB 1.187 26 residues pruned to eliminate duplicates Z: 17 17.140 1.601 0.636 0.914 1.000 0.812 CA 1.157 17 residues pruned to eliminate duplicates Z: 22 17.041 2.092 0.142 0.928 1.000 0.857 CA 1.090 22 residues pruned to eliminate duplicates Z: 30 42.962 2.079 0.818 0.950 0.966 0.759 CB 1.507 30 residues pruned to eliminate duplicates Z: 26 22.882 1.746 0.581 0.934 0.960 0.880 CB 1.204 26 residues pruned to eliminate duplicates Z: 29 24.578 1.751 0.429 0.916 1.000 0.929 CB 1.311 29 residues pruned to eliminate duplicates Z: 32 37.499 1.975 0.774 0.911 0.968 0.774 CB 1.408 32 residues pruned to eliminate duplicates Z: 20 38.391 2.114 0.842 0.896 1.000 0.842 CA 1.620 20 residues pruned to eliminate duplicates Z: 22 20.198 1.676 0.625 0.875 0.952 0.810 CB 1.236 22 residues pruned to eliminate duplicates Z: 29 28.024 1.776 0.917 0.941 0.929 0.571 CB 1.163 29 residues pruned to eliminate duplicates Z: 26 23.106 1.675 0.499 0.906 1.000 0.960 CB 1.310 26 residues pruned to eliminate duplicates Z: 29 29.579 1.776 0.819 0.886 0.964 0.821 CB 1.295 29 residues pruned to eliminate duplicates Z: 24 24.614 1.813 0.714 0.896 0.957 0.609 CB 1.237 24 residues pruned to eliminate duplicates Z: 29 29.218 1.802 0.491 0.912 1.000 0.929 CA 1.455 29 residues pruned to eliminate duplicates Z: 25 19.863 1.567 0.547 0.927 0.958 0.708 CB 1.222 26 residues pruned to eliminate duplicates Z: 37 30.873 1.835 0.481 0.908 0.972 0.778 CB 1.382 37 residues pruned to eliminate duplicates Z: 35 40.022 1.999 1.118 0.950 0.941 0.412 CB 1.187 35 residues pruned to eliminate duplicates Z: 29 30.579 1.807 0.808 0.921 0.964 0.679 CB 1.291 29 residues pruned to eliminate duplicates Z: 11 12.968 1.727 0.353 0.848 1.000 0.800 CB 1.302 11 residues pruned to eliminate duplicates Z: 22 19.732 1.652 0.516 0.867 1.000 0.762 CB 1.258 22 residues pruned to eliminate duplicates Z: 17 18.399 1.717 0.856 0.892 1.000 0.562 CB 1.037 17 residues pruned to eliminate duplicates Z: 26 33.550 2.093 0.587 0.945 0.960 0.920 CA 1.457 26 residues pruned to eliminate duplicates Z: 27 31.835 1.949 0.685 0.913 0.962 0.769 CB 1.399 27 residues pruned to eliminate duplicates Z: 21 21.250 1.893 0.555 0.870 0.950 0.500 CB 1.241 21 residues pruned to eliminate duplicates Z: 31 42.900 2.069 0.799 0.925 1.000 0.767 CB 1.476 31 residues pruned to eliminate duplicates Z: 16 21.320 1.744 0.946 0.918 0.933 0.867 CB 1.225 6 residues pruned to eliminate duplicates Z: 17 23.866 2.040 0.757 0.915 1.000 0.875 CB 1.176 17 residues pruned to eliminate duplicates Z: 14 17.650 1.796 0.835 0.879 1.000 0.769 CB 1.077 14 residues pruned to eliminate duplicates Z: 38 34.924 1.990 0.522 0.907 1.000 0.865 CA 1.347 38 residues pruned to eliminate duplicates Z: 32 27.885 1.781 0.416 0.911 0.968 0.903 CB 1.454 32 residues pruned to eliminate duplicates Z: 21 20.406 1.650 0.567 0.932 1.000 0.950 CB 1.233 21 residues pruned to eliminate duplicates Z: 13 13.831 1.425 0.872 0.870 1.000 0.750 CB 1.093 12 residues pruned to eliminate duplicates Z: 15 17.576 1.587 0.872 0.940 1.000 0.500 CB 1.098 16 residues pruned to eliminate duplicates Z: 28 20.579 1.654 0.495 0.893 0.963 0.852 CB 1.194 28 residues pruned to eliminate duplicates Z: 24 30.014 2.038 0.445 0.887 0.957 0.783 CB 1.602 24 residues pruned to eliminate duplicates Z: 29 26.143 1.837 0.894 0.894 0.964 0.643 CB 1.057 29 residues pruned to eliminate duplicates Z: 26 21.734 1.711 0.470 0.945 1.000 0.800 CB 1.196 29 residues pruned to eliminate duplicates Z: 29 25.872 1.761 0.446 0.892 1.000 0.786 CB 1.380 29 residues pruned to eliminate duplicates Z: 12 5.165 1.590 0.382 0.257 0.727 0.455 CB 1.289 12 residues pruned to eliminate duplicates Z: 26 22.237 1.696 0.615 0.884 0.960 0.680 CB 1.222 26 residues pruned to eliminate duplicates Z: 37 46.234 2.053 0.790 0.927 1.000 0.861 CA 1.470 37 residues pruned to eliminate duplicates Z: 29 43.541 2.086 0.896 0.943 1.000 0.750 CA 1.442 29 residues pruned to eliminate duplicates Z: 34 42.894 2.055 1.006 0.956 1.000 0.545 CB 1.244 34 residues pruned to eliminate duplicates Z: 27 42.132 2.086 1.096 0.910 1.000 0.846 CB 1.341 27 residues pruned to eliminate duplicates Z: 30 38.278 2.049 0.695 0.928 1.000 0.897 CA 1.433 30 residues pruned to eliminate duplicates Z: 26 23.846 1.753 0.814 0.913 0.920 0.680 CB 1.154 26 residues pruned to eliminate duplicates Z: 15 16.703 1.783 0.283 0.934 1.000 0.929 CA 1.361 15 residues pruned to eliminate duplicates Z: 6 2.610 1.302 1.261 0.720 0.800 0.600 CB 0.406 Z: 25 23.641 1.807 0.624 0.894 0.958 0.625 CB 1.231 25 residues pruned to eliminate duplicates Z: 10 14.353 2.076 0.457 0.685 1.000 0.889 CA 1.335 10 residues pruned to eliminate duplicates Z: 25 19.749 1.740 0.687 0.922 0.958 0.500 CB 1.008 25 residues pruned to eliminate duplicates Z: 19 13.667 1.851 0.510 0.499 0.889 0.444 CB 1.297 19 residues pruned to eliminate duplicates Z: 7 3.313 1.617 -0.036 0.537 0.833 0.333 CB 1.005 Z: 12 17.452 1.845 0.483 0.924 1.000 1.000 CA 1.351 12 residues pruned to eliminate duplicates Z: 30 41.632 2.046 0.685 0.948 1.000 0.966 CB 1.549 30 residues pruned to eliminate duplicates Z: 39 37.117 1.949 0.671 0.890 0.974 0.789 CA 1.366 39 residues pruned to eliminate duplicates Z: 8 4.141 1.568 0.467 0.297 0.714 0.286 C 1.195 Z: 8 3.955 1.447 0.098 0.447 1.000 0.571 CB 0.994 Z: 30 34.002 2.056 0.615 0.935 1.000 1.000 CA 1.325 30 residues pruned to eliminate duplicates Z: 35 24.498 1.722 0.670 0.949 1.000 0.765 CB 1.009 35 residues pruned to eliminate duplicates Z: 37 51.657 2.051 0.875 0.923 1.000 0.833 CA 1.574 37 residues pruned to eliminate duplicates Z: 18 33.946 1.944 1.277 0.873 1.000 0.412 CB 1.355 18 residues pruned to eliminate duplicates Z: 22 33.004 1.998 0.815 0.907 0.952 0.905 CA 1.483 22 residues pruned to eliminate duplicates Z: 21 18.960 1.761 0.519 0.876 1.000 0.850 CB 1.152 21 residues pruned to eliminate duplicates Z: 7 7.849 1.958 0.128 0.651 1.000 0.667 CB 1.260 7 residues pruned to eliminate duplicates Z: 22 19.585 1.709 0.514 0.921 1.000 0.857 CA 1.163 22 residues pruned to eliminate duplicates Z: 30 33.720 2.018 0.732 0.919 0.931 0.759 CA 1.356 30 residues pruned to eliminate duplicates Z: 20 17.440 1.808 0.561 0.926 0.895 0.737 CB 1.110 20 residues pruned to eliminate duplicates Z: 21 17.136 1.713 0.386 0.922 0.950 0.800 CB 1.194 21 residues pruned to eliminate duplicates Z: 37 38.128 2.052 0.556 0.914 0.972 0.889 CA 1.447 37 residues pruned to eliminate duplicates Z: 26 20.919 1.740 0.558 0.907 0.960 0.680 CB 1.143 26 residues pruned to eliminate duplicates Z: 14 13.968 1.458 0.658 0.890 1.000 0.923 CA 1.153 14 residues pruned to eliminate duplicates Z: 30 37.972 2.053 0.742 0.934 1.000 0.828 CA 1.375 30 residues pruned to eliminate duplicates Z: 37 23.615 1.757 0.312 0.892 0.944 0.750 CB 1.299 37 residues pruned to eliminate duplicates Z: 25 24.693 1.820 0.776 0.878 0.958 0.667 CB 1.181 25 residues pruned to eliminate duplicates Z: 21 21.200 1.889 0.557 0.858 0.900 0.550 CB 1.319 21 residues pruned to eliminate duplicates Z: 37 49.956 2.046 0.909 0.950 1.000 0.917 CA 1.471 37 residues pruned to eliminate duplicates Z: 6 3.810 1.716 -0.174 0.639 0.800 0.800 CB 1.318 6 residues pruned to eliminate duplicates Z: 28 45.580 2.059 0.939 0.919 1.000 0.444 CB 1.549 28 residues pruned to eliminate duplicates Z: 35 22.515 1.857 0.659 0.576 0.882 0.529 CB 1.320 35 residues pruned to eliminate duplicates Z: 34 32.785 1.950 0.680 0.940 0.970 0.727 CB 1.247 34 residues pruned to eliminate duplicates Z: 14 16.028 1.581 0.738 0.928 1.000 0.769 CB 1.133 14 residues pruned to eliminate duplicates Z: 10 9.333 1.439 0.562 0.863 1.000 0.667 CB 1.016 10 residues pruned to eliminate duplicates Z: 36 26.580 1.809 0.327 0.909 0.943 0.857 CB 1.410 36 residues pruned to eliminate duplicates Z: 6 2.717 1.337 0.406 0.480 0.600 0.600 O 1.099 Z: 30 45.569 2.103 0.732 0.959 1.000 0.931 CB 1.592 30 residues pruned to eliminate duplicates Z: 37 42.073 1.861 1.065 0.894 0.917 0.556 CA 1.428 37 residues pruned to eliminate duplicates Z: 28 41.618 2.050 0.815 0.926 1.000 0.741 CA 1.510 28 residues pruned to eliminate duplicates Z: 16 14.267 1.456 0.699 0.835 1.000 0.733 CB 1.116 16 residues pruned to eliminate duplicates Z: 11 11.154 1.813 0.208 0.910 1.000 1.000 CA 1.143 11 residues pruned to eliminate duplicates Z: 37 40.279 2.087 0.619 0.920 0.972 0.861 CA 1.440 37 residues pruned to eliminate duplicates Z: 35 25.430 1.733 0.592 0.932 0.971 0.912 CB 1.137 35 residues pruned to eliminate duplicates Z: 19 22.298 1.880 0.506 0.908 0.944 0.889 CA 1.397 19 residues pruned to eliminate duplicates Z: 30 27.082 1.889 0.475 0.886 1.000 0.897 CA 1.302 30 residues pruned to eliminate duplicates Z: 38 34.268 1.998 0.424 0.917 1.000 0.919 CA 1.397 38 residues pruned to eliminate duplicates Z: 21 37.095 1.983 0.971 0.901 1.000 0.750 CA 1.515 21 residues pruned to eliminate duplicates Z: 40 46.467 1.935 0.933 0.928 0.974 0.872 CB 1.430 40 residues pruned to eliminate duplicates Z: 13 14.098 1.464 0.563 0.935 1.000 0.917 CB 1.240 Z: 75 53.797 1.849 0.875 0.909 0.959 0.662 CB 1.334 110 residues pruned to eliminate duplicates Z: 28 27.070 1.923 0.447 0.865 0.963 0.778 CA 1.424 28 residues pruned to eliminate duplicates Z: 22 36.753 2.194 0.830 0.910 0.952 0.857 CA 1.487 22 residues pruned to eliminate duplicates Z: 38 44.696 1.953 0.891 0.912 1.000 0.892 CA 1.409 38 residues pruned to eliminate duplicates Z: 8 9.930 1.816 0.102 0.911 1.000 1.000 CA 1.329 8 residues pruned to eliminate duplicates Z: 14 12.901 1.395 0.689 0.893 1.000 0.692 CB 1.090 14 residues pruned to eliminate duplicates Z: 19 23.565 1.837 0.720 0.944 0.944 0.833 CB 1.289 Z: 10 9.311 1.633 0.604 0.779 0.889 0.444 CB 1.042 10 residues pruned to eliminate duplicates Z: 7 3.529 1.419 0.605 0.273 0.667 0.500 CB 1.228 Z: 7 13.339 1.888 0.685 0.740 1.000 0.667 CB 1.380 7 residues pruned to eliminate duplicates Z: 26 24.909 1.738 0.734 0.932 1.000 0.760 CB 1.155 26 residues pruned to eliminate duplicates Z: 35 27.135 1.735 0.961 0.926 0.971 0.353 CB 0.988 20 residues pruned to eliminate duplicates Z: 37 39.430 1.951 0.732 0.908 0.972 0.861 CA 1.421 37 residues pruned to eliminate duplicates Z: 40 33.821 2.119 0.408 0.811 1.000 0.897 CA 1.385 40 residues pruned to eliminate duplicates Z: 13 17.392 1.808 0.892 0.921 1.000 0.667 CB 1.032 13 residues pruned to eliminate duplicates Z: 11 6.279 1.559 0.732 0.361 0.800 0.300 CB 1.067 11 residues pruned to eliminate duplicates Z: 37 41.997 2.032 0.791 0.930 0.944 0.667 CB 1.424 37 residues pruned to eliminate duplicates Z: 12 12.761 1.405 0.622 0.904 1.000 0.909 O 1.202 12 residues pruned to eliminate duplicates Z: 12 14.371 1.851 0.407 0.885 0.909 0.727 CB 1.321 12 residues pruned to eliminate duplicates Z: 22 20.429 1.697 0.556 0.901 1.000 0.762 CA 1.205 22 residues pruned to eliminate duplicates Z: 6 4.648 1.483 0.651 0.466 0.800 0.800 C 1.099 Z: 33 27.992 1.812 0.530 0.882 0.938 0.625 CB 1.378 33 residues pruned to eliminate duplicates Z: 34 40.330 1.950 0.791 0.951 1.000 0.848 CA 1.385 34 residues pruned to eliminate duplicates Z: 25 35.193 2.059 0.891 0.892 0.917 0.750 CB 1.446 25 residues pruned to eliminate duplicates Z: 6 4.148 1.804 0.864 0.874 1.000 1.000 CB 0.402 Z: 8 4.417 1.597 0.343 0.529 0.714 0.429 CB 1.059 8 residues pruned to eliminate duplicates Z: 27 18.268 1.489 0.548 0.884 0.923 0.692 CB 1.216 22 residues pruned to eliminate duplicates Z: 24 20.308 1.794 0.673 0.716 0.913 0.783 CB 1.270 24 residues pruned to eliminate duplicates Z: 30 41.885 2.071 0.765 0.946 1.000 0.862 CB 1.472 30 residues pruned to eliminate duplicates Z: 29 34.086 1.812 0.963 0.925 1.000 0.536 CB 1.271 29 residues pruned to eliminate duplicates Z: 11 14.358 1.679 0.607 0.813 1.000 0.600 CB 1.281 11 residues pruned to eliminate duplicates Z: 36 25.093 1.775 0.379 0.895 0.943 0.686 CB 1.317 36 residues pruned to eliminate duplicates Z: 20 16.436 1.462 0.653 0.888 1.000 0.684 CB 1.124 20 residues pruned to eliminate duplicates Z: 20 19.693 1.842 0.504 0.741 0.895 0.684 CB 1.469 20 residues pruned to eliminate duplicates Z: 31 32.066 1.960 0.509 0.918 0.967 0.967 CA 1.445 31 residues pruned to eliminate duplicates Z: 29 45.920 2.005 1.009 0.918 1.000 0.679 CB 1.519 29 residues pruned to eliminate duplicates Z: 9 8.935 1.667 0.503 0.378 1.000 0.375 CA 1.436 Z: 37 36.453 1.937 0.658 0.902 1.000 0.889 CA 1.349 37 residues pruned to eliminate duplicates Z: 7 4.626 1.727 0.583 0.601 0.833 0.500 CB 0.753 Z: 26 18.692 1.692 0.335 0.931 1.000 0.840 CB 1.157 26 residues pruned to eliminate duplicates Z: 22 23.776 1.716 1.157 0.712 0.905 0.476 CB 1.278 22 residues pruned to eliminate duplicates Z: 8 2.039 1.312 1.115 0.201 0.571 0.429 C 0.693 Z: 14 15.374 1.751 0.423 0.861 0.923 0.615 CB 1.362 14 residues pruned to eliminate duplicates Z: 32 31.500 1.948 0.504 0.902 1.000 0.645 CB 1.377 32 residues pruned to eliminate duplicates Z: 6 8.410 1.497 0.487 0.759 1.000 0.600 CB 1.342 6 residues pruned to eliminate duplicates Z: 29 32.864 1.807 0.753 0.925 1.000 0.679 CB 1.376 29 residues pruned to eliminate duplicates Z: 48 40.392 2.009 0.833 0.838 0.957 0.702 CB 1.249 48 residues pruned to eliminate duplicates Z: 26 19.603 1.752 0.278 0.937 0.960 0.880 CA 1.270 26 residues pruned to eliminate duplicates Z: 26 22.436 1.786 0.601 0.831 0.960 0.840 CB 1.229 26 residues pruned to eliminate duplicates Z: 49 37.168 2.100 0.437 0.835 0.938 0.854 CA 1.421 49 residues pruned to eliminate duplicates Z: 48 48.747 2.081 0.910 0.770 0.936 0.723 CB 1.505 48 residues pruned to eliminate duplicates Z: 6 2.389 1.448 0.211 0.476 0.800 0.800 N 0.780 Z: 15 13.334 1.441 0.723 0.854 0.929 0.857 CB 1.141 15 residues pruned to eliminate duplicates 6 0.869 1.429 0.165 0.547 0.600 0.400 CB 0.371 ? Z: 7 3.299 1.309 0.461 0.660 0.667 0.500 N 0.911 Z: 28 21.628 1.754 0.461 0.896 1.000 0.741 CB 1.163 25 residues pruned to eliminate duplicates Z: 31 27.383 2.099 0.255 0.919 1.000 0.800 CA 1.337 31 residues pruned to eliminate duplicates 8 1.258 1.354 -0.021 0.071 0.571 0.286 N 1.099 ? Z: 30 38.484 2.051 0.743 0.945 1.000 0.931 CB 1.383 30 residues pruned to eliminate duplicates Z: 27 21.685 1.652 0.450 0.885 1.000 0.885 CB 1.283 27 residues pruned to eliminate duplicates Z: 22 13.871 1.668 0.329 0.721 0.952 0.857 CA 1.174 15 residues pruned to eliminate duplicates Z: 20 15.745 1.715 0.409 0.916 1.000 0.684 CB 1.056 20 residues pruned to eliminate duplicates Z: 10 3.123 1.705 0.680 0.165 0.556 0.556 CB 0.984 10 residues pruned to eliminate duplicates Z: 6 4.380 1.740 0.158 0.402 1.000 0.600 CB 1.078 Z: 11 4.494 1.397 0.577 0.200 0.900 0.400 CB 1.024 Z: 6 4.944 1.658 -0.034 0.688 1.000 1.000 CB 1.163 6 residues pruned to eliminate duplicates Z: 25 24.342 1.767 0.513 0.895 1.000 0.917 CA 1.332 25 residues pruned to eliminate duplicates Z: 21 18.234 1.649 0.673 0.867 1.000 0.650 CB 1.081 21 residues pruned to eliminate duplicates Z: 21 28.711 1.977 0.637 0.861 1.000 0.750 CB 1.457 21 residues pruned to eliminate duplicates Z: 34 40.407 2.024 0.727 0.880 0.970 0.788 CA 1.504 34 residues pruned to eliminate duplicates Z: 7 4.036 1.533 0.862 0.233 0.667 0.333 CB 1.182 Z: 27 48.689 2.089 1.009 0.932 1.000 0.769 CA 1.589 27 residues pruned to eliminate duplicates Z: 38 37.374 1.980 0.605 0.920 1.000 0.919 CA 1.361 38 residues pruned to eliminate duplicates Z: 19 29.740 2.078 0.738 0.868 1.000 0.889 CA 1.418 19 residues pruned to eliminate duplicates Z: 30 37.319 2.074 0.750 0.924 1.000 1.000 CA 1.341 30 residues pruned to eliminate duplicates Z: 35 38.774 1.991 0.944 0.933 0.941 0.500 CB 1.275 35 residues pruned to eliminate duplicates Z: 21 20.360 1.741 0.542 0.796 0.900 0.700 CB 1.454 21 residues pruned to eliminate duplicates Z: 8 3.461 1.536 0.300 0.339 0.857 0.571 CB 0.911 Z: 19 11.364 1.388 0.594 0.849 0.944 0.722 CB 0.950 11 residues pruned to eliminate duplicates Z: 14 13.891 1.672 0.449 0.922 1.000 0.692 CB 1.119 14 residues pruned to eliminate duplicates Z: 6 2.681 1.559 0.070 0.399 0.800 0.600 CB 0.998 Z: 31 22.823 1.807 0.637 0.712 0.867 0.667 CB 1.340 31 residues pruned to eliminate duplicates Z: 29 31.139 1.740 1.031 0.921 0.964 0.500 CB 1.215 29 residues pruned to eliminate duplicates Z: 8 5.113 1.534 0.536 0.367 0.714 0.429 CA 1.324 Z: 17 22.544 1.879 0.568 0.825 0.938 0.875 CB 1.540 17 residues pruned to eliminate duplicates Z: 31 37.782 2.040 0.786 0.932 1.000 0.767 CB 1.322 31 residues pruned to eliminate duplicates Z: 6 5.941 1.625 0.216 0.581 1.000 0.400 CB 1.244 Z: 22 18.042 1.581 0.532 0.908 1.000 0.810 CB 1.154 22 residues pruned to eliminate duplicates Z: 8 4.793 1.581 0.312 0.507 0.714 0.429 O 1.214 7 residues pruned to eliminate duplicates Z: 19 17.620 1.676 0.670 0.879 1.000 0.833 CB 1.077 19 residues pruned to eliminate duplicates Z: 29 43.528 1.971 1.134 0.943 0.964 0.536 CB 1.406 29 residues pruned to eliminate duplicates Z: 15 16.556 1.947 0.530 0.718 0.857 0.786 CA 1.424 15 residues pruned to eliminate duplicates Z: 9 8.129 1.654 0.345 0.854 0.875 0.750 CA 1.091 9 residues pruned to eliminate duplicates Z: 6 2.255 1.572 0.358 0.641 1.000 1.000 CB 0.414 Z: 31 42.392 2.023 0.887 0.912 1.000 0.767 CB 1.436 31 residues pruned to eliminate duplicates Z: 22 19.753 1.718 0.858 0.909 0.905 0.762 CB 1.060 22 residues pruned to eliminate duplicates Z: 18 25.598 1.856 0.929 0.856 0.941 0.706 CB 1.358 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 28 27.355 2.004 0.421 0.890 0.963 0.889 CA 1.381 28 residues pruned to eliminate duplicates Z: 54 45.372 2.042 0.556 0.811 0.962 0.774 CA 1.555 54 residues pruned to eliminate duplicates Z: 46 39.017 2.008 0.883 0.678 0.889 0.578 CB 1.469 46 residues pruned to eliminate duplicates Z: 30 31.659 2.000 0.663 0.845 0.931 0.828 CA 1.412 30 residues pruned to eliminate duplicates Z: 28 35.352 1.997 0.702 0.891 1.000 0.741 CA 1.438 28 residues pruned to eliminate duplicates Z: 26 42.378 2.118 0.784 0.937 1.000 0.960 CA 1.561 26 residues pruned to eliminate duplicates Z: 28 34.346 2.041 0.605 0.856 1.000 0.889 CA 1.489 28 residues pruned to eliminate duplicates Z: 28 39.214 2.035 0.838 0.887 1.000 0.815 CA 1.454 28 residues pruned to eliminate duplicates Z: 26 38.796 2.095 0.743 0.918 1.000 0.680 CA 1.498 26 residues pruned to eliminate duplicates Z: 53 49.710 2.050 0.692 0.828 0.962 0.827 CB 1.556 53 residues pruned to eliminate duplicates Z: 39 41.781 2.047 0.801 0.802 0.868 0.737 CA 1.626 39 residues pruned to eliminate duplicates Z: 26 44.594 2.092 0.950 0.933 0.960 0.680 CB 1.590 26 residues pruned to eliminate duplicates Z: 29 41.774 2.049 0.859 0.872 0.964 0.750 CA 1.567 29 residues pruned to eliminate duplicates Z: 43 42.441 2.000 0.737 0.815 0.905 0.738 CB 1.585 42 residues pruned to eliminate duplicates Z: 27 44.175 2.102 0.803 0.955 1.000 0.808 CA 1.571 27 residues pruned to eliminate duplicates Z: 29 42.015 2.035 0.927 0.880 0.964 0.821 CA 1.522 29 residues pruned to eliminate duplicates Z: 28 43.975 2.043 0.992 0.943 0.963 0.741 CA 1.496 28 residues pruned to eliminate duplicates Z: 63 52.177 2.030 0.842 0.729 0.935 0.677 CB 1.542 64 residues pruned to eliminate duplicates Z: 28 41.468 2.045 0.971 0.942 0.926 0.815 CA 1.483 28 residues pruned to eliminate duplicates Z: 28 41.090 2.074 0.933 0.910 0.963 0.741 CA 1.453 28 residues pruned to eliminate duplicates Z: 43 45.764 2.026 0.762 0.801 0.976 0.762 CA 1.557 43 residues pruned to eliminate duplicates Z: 35 34.311 1.919 0.870 0.735 0.941 0.618 CB 1.411 35 residues pruned to eliminate duplicates Z: 52 54.800 2.104 0.747 0.855 0.961 0.784 CA 1.604 52 residues pruned to eliminate duplicates Z: 28 43.781 2.023 0.944 0.929 0.963 0.778 CB 1.557 28 residues pruned to eliminate duplicates Z: 42 44.584 2.064 0.737 0.795 0.927 0.707 CA 1.618 42 residues pruned to eliminate duplicates Z: 41 41.967 1.994 0.835 0.771 0.925 0.750 CA 1.542 41 residues pruned to eliminate duplicates Z: 26 26.480 1.770 0.613 0.840 1.000 0.760 CA 1.384 26 residues pruned to eliminate duplicates Z: 24 19.570 1.796 0.508 0.686 0.913 0.739 CB 1.392 24 residues pruned to eliminate duplicates Z: 25 19.110 1.734 0.502 0.704 0.917 0.667 CB 1.358 25 residues pruned to eliminate duplicates Z: 22 18.753 1.672 0.860 0.593 0.905 0.524 CB 1.331 22 residues pruned to eliminate duplicates Z: 20 24.382 1.837 0.490 0.834 1.000 0.895 CA 1.532 20 residues pruned to eliminate duplicates Z: 26 25.760 1.828 0.489 0.806 1.000 0.760 CA 1.450 26 residues pruned to eliminate duplicates Z: 23 22.403 1.756 0.454 0.727 1.000 0.727 CA 1.525 23 residues pruned to eliminate duplicates Z: 18 26.424 1.900 0.616 0.881 1.000 0.941 CA 1.511 18 residues pruned to eliminate duplicates Z: 17 18.774 1.792 0.645 0.731 1.000 0.812 CA 1.293 17 residues pruned to eliminate duplicates Z: 21 21.062 1.829 0.501 0.783 0.950 0.800 CB 1.408 21 residues pruned to eliminate duplicates Z: 24 26.331 1.827 0.600 0.863 1.000 0.957 CA 1.378 24 residues pruned to eliminate duplicates Z: 31 28.742 1.797 0.643 0.828 0.967 0.800 CB 1.385 29 residues pruned to eliminate duplicates Z: 29 28.759 1.796 0.599 0.916 0.964 0.821 CB 1.386 29 residues pruned to eliminate duplicates Z: 23 21.796 1.814 0.500 0.813 0.955 0.727 CB 1.363 23 residues pruned to eliminate duplicates Z: 29 28.427 1.792 0.593 0.936 1.000 0.857 CB 1.311 31 residues pruned to eliminate duplicates Z: 30 30.564 1.742 0.768 0.898 0.966 0.759 CB 1.365 30 residues pruned to eliminate duplicates Z: 32 28.838 1.790 0.643 0.832 1.000 0.742 CB 1.321 29 residues pruned to eliminate duplicates Z: 28 27.632 1.745 0.736 0.942 0.963 0.741 CB 1.264 28 residues pruned to eliminate duplicates Z: 24 29.345 1.844 0.694 0.900 1.000 0.826 CB 1.400 24 residues pruned to eliminate duplicates Z: 25 26.002 1.794 0.768 0.867 0.958 0.875 CB 1.277 25 residues pruned to eliminate duplicates Z: 27 26.579 1.801 0.600 0.828 1.000 0.808 CB 1.361 27 residues pruned to eliminate duplicates Z: 29 31.758 1.817 0.746 0.890 1.000 0.786 CB 1.361 32 residues pruned to eliminate duplicates Z: 28 30.446 1.790 0.710 0.940 0.963 0.815 CB 1.380 28 residues pruned to eliminate duplicates Z: 28 32.462 1.824 0.811 0.934 0.963 0.815 CB 1.370 28 residues pruned to eliminate duplicates Z: 35 28.299 1.738 0.739 0.817 0.971 0.794 CB 1.256 35 residues pruned to eliminate duplicates Z: 35 27.407 1.711 0.728 0.823 1.000 0.676 CB 1.202 35 residues pruned to eliminate duplicates Z: 33 25.211 1.706 0.748 0.841 1.000 0.781 CB 1.114 33 residues pruned to eliminate duplicates Z: 44 40.493 1.982 0.879 0.721 0.884 0.674 CA 1.537 44 residues pruned to eliminate duplicates Z: 45 43.541 1.998 0.774 0.795 0.909 0.636 CA 1.574 45 residues pruned to eliminate duplicates Z: 50 52.084 2.049 0.898 0.797 0.939 0.776 CB 1.571 50 residues pruned to eliminate duplicates Z: 25 34.715 2.068 0.806 0.777 0.917 0.667 CB 1.621 25 residues pruned to eliminate duplicates Z: 53 55.487 2.058 0.886 0.817 0.962 0.654 CB 1.565 53 residues pruned to eliminate duplicates Z: 34 36.068 1.966 0.871 0.737 0.939 0.636 CB 1.469 34 residues pruned to eliminate duplicates Z: 26 33.061 2.050 0.792 0.751 0.960 0.680 CB 1.499 26 residues pruned to eliminate duplicates Z: 53 55.998 2.068 0.920 0.813 0.962 0.635 CB 1.550 53 residues pruned to eliminate duplicates Z: 53 59.013 2.059 0.909 0.828 0.981 0.654 CB 1.598 53 residues pruned to eliminate duplicates Z: 28 30.992 1.966 0.825 0.761 0.926 0.407 CB 1.424 28 residues pruned to eliminate duplicates Z: 51 53.409 2.023 1.001 0.826 0.940 0.580 CB 1.498 51 residues pruned to eliminate duplicates Z: 52 46.003 1.988 0.801 0.756 0.941 0.510 CB 1.521 52 residues pruned to eliminate duplicates Z: 50 54.303 2.050 1.083 0.833 0.939 0.673 CB 1.451 50 residues pruned to eliminate duplicates Z: 53 49.546 2.033 0.890 0.818 0.923 0.519 CB 1.470 53 residues pruned to eliminate duplicates Z: 26 34.684 2.027 0.912 0.782 0.920 0.600 CB 1.518 26 residues pruned to eliminate duplicates Z: 53 57.414 2.049 1.002 0.830 0.962 0.635 CB 1.518 53 residues pruned to eliminate duplicates Z: 17 25.927 2.027 0.861 0.638 0.938 0.688 CB 1.610 17 residues pruned to eliminate duplicates Z: 51 49.776 2.028 0.997 0.781 0.880 0.580 CB 1.542 51 residues pruned to eliminate duplicates Z: 51 58.136 2.101 0.921 0.842 0.980 0.620 CB 1.549 51 residues pruned to eliminate duplicates Z: 53 55.474 2.064 0.930 0.824 0.981 0.615 CB 1.487 53 residues pruned to eliminate duplicates Z: 70 59.536 2.129 0.773 0.796 0.957 0.768 CB 1.532 70 residues pruned to eliminate duplicates Z: 69 55.017 2.097 0.825 0.717 0.926 0.676 CB 1.546 69 residues pruned to eliminate duplicates Z: 46 40.071 2.091 0.805 0.661 0.911 0.689 CB 1.497 46 residues pruned to eliminate duplicates Z: 47 46.424 2.101 0.798 0.751 0.957 0.783 CA 1.514 47 residues pruned to eliminate duplicates Z: 101 77.331 2.074 0.954 0.791 0.980 0.700 CB 1.509 101 residues pruned to eliminate duplicates Z: 33 36.482 2.148 0.800 0.702 0.938 0.812 CA 1.480 33 residues pruned to eliminate duplicates Z: 43 44.510 2.135 0.781 0.773 0.905 0.714 CA 1.568 43 residues pruned to eliminate duplicates Z: 34 36.632 2.151 0.736 0.693 0.939 0.758 CB 1.524 34 residues pruned to eliminate duplicates Z: 100 75.912 2.082 0.969 0.792 0.949 0.677 CB 1.518 100 residues pruned to eliminate duplicates Z: 48 50.341 2.122 0.830 0.758 0.979 0.723 CB 1.535 48 residues pruned to eliminate duplicates Z: 50 49.568 2.103 0.852 0.722 0.959 0.755 CB 1.551 50 residues pruned to eliminate duplicates Z: 49 48.607 2.107 0.824 0.758 0.958 0.750 CB 1.514 49 residues pruned to eliminate duplicates Z: 72 60.885 2.105 0.818 0.761 0.972 0.803 CB 1.541 72 residues pruned to eliminate duplicates Z: 48 45.310 2.102 0.834 0.695 0.936 0.745 CB 1.533 48 residues pruned to eliminate duplicates Z: 29 35.511 2.187 0.742 0.686 0.964 0.786 CB 1.540 29 residues pruned to eliminate duplicates Z: 46 39.372 2.086 0.722 0.732 0.956 0.689 CB 1.388 46 residues pruned to eliminate duplicates Z: 99 71.341 2.094 0.831 0.790 0.949 0.663 CB 1.536 99 residues pruned to eliminate duplicates Z: 49 44.482 2.067 0.803 0.743 0.938 0.792 CB 1.478 49 residues pruned to eliminate duplicates Z: 47 40.421 2.075 0.769 0.721 0.913 0.739 CB 1.456 47 residues pruned to eliminate duplicates Z: 47 42.920 2.102 0.734 0.718 0.957 0.717 CB 1.490 47 residues pruned to eliminate duplicates Z: 50 43.156 2.100 0.705 0.729 0.939 0.816 CB 1.493 50 residues pruned to eliminate duplicates Z: 103 69.545 2.063 0.825 0.780 0.941 0.647 CB 1.518 103 residues pruned to eliminate duplicates Z: 48 48.037 2.114 0.868 0.734 0.936 0.745 CB 1.535 48 residues pruned to eliminate duplicates Z: 48 47.785 2.139 0.784 0.737 0.957 0.702 CA 1.542 48 residues pruned to eliminate duplicates Z: 46 50.487 2.153 0.794 0.782 0.956 0.733 CA 1.590 46 residues pruned to eliminate duplicates Z: 46 53.775 2.165 0.837 0.807 1.000 0.778 CA 1.542 46 residues pruned to eliminate duplicates Z: 25 26.768 1.998 0.691 0.741 0.833 0.625 CB 1.565 25 residues pruned to eliminate duplicates Z: 100 76.231 2.095 0.878 0.794 0.970 0.707 CB 1.552 100 residues pruned to eliminate duplicates Z: 49 43.808 2.121 0.700 0.717 0.938 0.792 CB 1.537 49 residues pruned to eliminate duplicates Z: 70 56.322 2.082 0.846 0.745 0.971 0.681 CB 1.460 70 residues pruned to eliminate duplicates Z: 43 47.454 2.158 0.771 0.754 0.976 0.810 CB 1.565 43 residues pruned to eliminate duplicates Z: 49 42.715 2.107 0.656 0.734 0.979 0.833 CA 1.462 49 residues pruned to eliminate duplicates Z: 23 35.341 2.036 0.854 0.777 1.000 0.636 CB 1.563 23 residues pruned to eliminate duplicates Z: 22 27.999 2.022 0.645 0.767 0.905 0.714 CB 1.602 22 residues pruned to eliminate duplicates Z: 46 40.568 2.024 0.887 0.713 0.889 0.578 CB 1.468 46 residues pruned to eliminate duplicates Z: 52 44.883 2.074 0.805 0.704 0.922 0.765 CB 1.513 52 residues pruned to eliminate duplicates Z: 49 47.477 2.092 0.814 0.738 0.979 0.812 CA 1.489 49 residues pruned to eliminate duplicates Z: 124 87.046 2.106 0.925 0.853 0.959 0.732 CB 1.491 172 residues pruned to eliminate duplicates Z: 25 24.199 1.846 0.485 0.888 0.958 0.792 CB 1.355 25 residues pruned to eliminate duplicates Z: 47 50.187 2.149 0.830 0.785 0.957 0.717 CB 1.531 47 residues pruned to eliminate duplicates Z: 71 62.627 2.112 0.865 0.786 0.957 0.729 CB 1.544 71 residues pruned to eliminate duplicates Z: 24 32.305 2.060 0.715 0.791 0.957 0.652 CA 1.544 24 residues pruned to eliminate duplicates Z: 23 30.733 2.066 0.773 0.780 0.909 0.682 CA 1.537 23 residues pruned to eliminate duplicates Z: 12 19.983 2.027 0.950 0.767 0.909 0.636 CA 1.323 12 residues pruned to eliminate duplicates Z: 18 22.094 1.943 0.600 0.869 0.941 0.588 CA 1.338 18 residues pruned to eliminate duplicates Z: 21 25.553 1.893 0.727 0.826 0.950 0.600 CB 1.388 21 residues pruned to eliminate duplicates Z: 14 12.972 1.877 0.570 0.779 0.923 0.615 CB 1.035 14 residues pruned to eliminate duplicates Z: 14 18.268 1.844 0.789 0.809 0.923 0.615 CB 1.272 14 residues pruned to eliminate duplicates Z: 12 17.819 1.938 0.597 0.911 1.000 0.818 CB 1.230 12 residues pruned to eliminate duplicates Z: 14 14.793 1.903 0.659 0.803 0.769 0.692 CB 1.297 14 residues pruned to eliminate duplicates Z: 56 49.062 2.042 0.935 0.787 0.927 0.600 CB 1.403 56 residues pruned to eliminate duplicates Z: 19 28.598 1.955 1.097 0.836 0.944 0.722 CB 1.303 19 residues pruned to eliminate duplicates Z: 12 15.768 1.884 0.742 0.906 0.909 0.545 CB 1.132 12 residues pruned to eliminate duplicates Z: 12 19.836 1.940 0.638 0.922 1.000 0.909 CB 1.323 12 residues pruned to eliminate duplicates Z: 42 30.809 1.766 0.792 0.709 0.902 0.634 CA 1.394 42 residues pruned to eliminate duplicates Z: 15 15.566 1.770 0.541 0.832 0.929 0.786 CB 1.234 15 residues pruned to eliminate duplicates Z: 15 13.463 1.658 0.316 0.891 0.929 0.857 CA 1.277 15 residues pruned to eliminate duplicates Z: 14 12.277 1.684 0.336 0.925 0.846 0.846 CB 1.255 14 residues pruned to eliminate duplicates Z: 37 24.639 1.774 0.485 0.827 0.917 0.806 CA 1.282 37 residues pruned to eliminate duplicates Z: 69 35.043 1.828 0.520 0.717 0.926 0.691 CB 1.356 126 residues pruned to eliminate duplicates Z: 21 15.843 1.717 0.294 0.893 0.950 0.900 CA 1.204 Z: 22 20.095 1.779 0.358 0.952 1.000 0.952 CA 1.250 21 residues pruned to eliminate duplicates Z: 20 13.303 1.668 0.153 0.918 0.895 0.842 CA 1.250 17 residues pruned to eliminate duplicates Z: 28 23.205 1.747 0.522 0.891 1.000 0.741 CB 1.207 25 residues pruned to eliminate duplicates Z: 15 15.036 1.710 0.490 0.928 1.000 0.929 CB 1.105 15 residues pruned to eliminate duplicates Z: 16 14.776 1.711 0.477 0.844 0.933 0.800 CB 1.204 16 residues pruned to eliminate duplicates Z: 25 20.075 1.744 0.653 0.798 0.917 0.750 CB 1.195 30 residues pruned to eliminate duplicates Z: 26 21.861 1.750 0.550 0.918 0.920 0.680 CB 1.235 26 residues pruned to eliminate duplicates Z: 21 22.449 1.777 0.645 0.939 0.950 0.700 CB 1.256 21 residues pruned to eliminate duplicates Z: 14 16.417 1.746 0.853 0.904 0.923 0.615 CB 1.086 14 residues pruned to eliminate duplicates Z: 39 27.357 1.766 0.667 0.800 0.921 0.711 CB 1.259 23 residues pruned to eliminate duplicates Z: 25 24.107 1.757 0.524 0.935 1.000 0.750 CA 1.281 23 residues pruned to eliminate duplicates Z: 25 24.948 1.781 0.571 0.920 1.000 0.625 CA 1.281 25 residues pruned to eliminate duplicates Z: 25 25.143 1.778 0.674 0.910 1.000 0.583 CB 1.223 25 residues pruned to eliminate duplicates Z: 26 22.153 1.710 0.684 0.896 1.000 0.520 CB 1.101 26 residues pruned to eliminate duplicates Z: 47 30.225 1.831 0.684 0.745 0.957 0.543 CB 1.213 88 residues pruned to eliminate duplicates Z: 42 29.671 1.815 0.634 0.799 0.902 0.659 CB 1.333 Z: 26 21.965 1.727 0.821 0.912 0.920 0.680 CB 1.076 24 residues pruned to eliminate duplicates Z: 7 15.956 1.909 1.068 0.849 1.000 0.667 CA 1.223 7 residues pruned to eliminate duplicates Z: 24 23.843 1.875 0.867 0.703 0.870 0.739 CB 1.358 24 residues pruned to eliminate duplicates Z: 19 18.288 1.846 0.809 0.602 0.944 0.444 CA 1.241 19 residues pruned to eliminate duplicates Z: 17 18.725 1.916 0.772 0.682 0.938 0.688 CA 1.245 17 residues pruned to eliminate duplicates Z: 33 21.576 1.763 0.854 0.727 0.906 0.469 CB 1.050 33 residues pruned to eliminate duplicates Z: 16 13.653 1.823 0.990 0.595 0.867 0.533 CB 1.024 16 residues pruned to eliminate duplicates Z: 33 25.057 1.805 0.859 0.802 0.938 0.750 CB 1.082 34 residues pruned to eliminate duplicates Z: 23 21.235 1.780 0.498 0.860 0.909 0.773 CA 1.373 19 residues pruned to eliminate duplicates Z: 12 22.565 1.895 0.726 0.906 1.000 0.727 CA 1.479 12 residues pruned to eliminate duplicates Z: 15 19.992 1.890 0.555 0.792 1.000 0.786 CA 1.407 15 residues pruned to eliminate duplicates Z: 18 20.021 1.824 0.983 0.679 0.882 0.647 CB 1.291 18 residues pruned to eliminate duplicates Z: 27 23.603 1.863 0.566 0.734 0.923 0.692 CB 1.393 27 residues pruned to eliminate duplicates Z: 19 22.893 1.914 0.842 0.662 1.000 0.500 CA 1.317 19 residues pruned to eliminate duplicates Z: 32 26.872 1.812 0.738 0.757 0.935 0.581 CB 1.304 30 residues pruned to eliminate duplicates Z: 18 27.684 1.913 0.686 0.940 1.000 0.765 CB 1.445 18 residues pruned to eliminate duplicates Z: 31 24.932 1.845 0.735 0.748 0.900 0.567 CB 1.266 34 residues pruned to eliminate duplicates Z: 20 23.993 1.805 0.781 0.947 0.947 0.474 CB 1.249 20 residues pruned to eliminate duplicates Z: 48 27.281 1.787 0.782 0.755 0.894 0.468 CB 1.115 49 residues pruned to eliminate duplicates Z: 27 29.555 1.821 0.765 0.928 1.000 0.654 CB 1.263 20 residues pruned to eliminate duplicates Z: 22 25.347 1.776 0.859 0.881 0.952 0.619 CB 1.273 22 residues pruned to eliminate duplicates Z: 44 28.880 1.786 0.877 0.719 0.907 0.512 CB 1.188 44 residues pruned to eliminate duplicates Z: 29 25.647 1.847 0.859 0.773 0.964 0.321 CB 1.150 29 residues pruned to eliminate duplicates Z: 28 28.800 1.877 1.039 0.795 0.963 0.370 CB 1.161 28 residues pruned to eliminate duplicates Z: 14 16.975 1.749 0.994 0.795 1.000 0.615 CB 1.043 14 residues pruned to eliminate duplicates Z: 36 30.009 1.835 0.883 0.826 0.971 0.543 CB 1.139 36 residues pruned to eliminate duplicates Z: 37 29.800 1.844 0.912 0.786 0.917 0.694 CB 1.195 37 residues pruned to eliminate duplicates Z: 17 18.666 1.714 0.779 0.912 1.000 0.625 CB 1.084 17 residues pruned to eliminate duplicates Z: 6 7.845 1.762 0.284 0.803 1.000 0.600 CB 1.190 6 residues pruned to eliminate duplicates Z: 26 23.853 1.782 0.917 0.746 0.920 0.400 CB 1.218 26 residues pruned to eliminate duplicates Z: 10 9.847 1.624 0.407 0.749 1.000 0.556 CB 1.150 8 residues pruned to eliminate duplicates Z: 8 10.641 1.609 0.814 0.853 1.000 0.714 CB 1.018 9 residues pruned to eliminate duplicates Z: 8 11.874 1.671 0.721 0.870 1.000 0.857 CB 1.139 8 residues pruned to eliminate duplicates Z: 53 37.392 1.789 0.892 0.898 0.981 0.558 CB 1.118 53 residues pruned to eliminate duplicates Z: 34 23.612 1.799 0.488 0.789 0.909 0.667 CB 1.311 34 residues pruned to eliminate duplicates Z: 32 26.981 1.817 0.499 0.842 0.935 0.710 CB 1.418 32 residues pruned to eliminate duplicates Z: 22 17.871 1.605 0.474 0.777 0.952 0.524 N 1.356 22 residues pruned to eliminate duplicates Z: 30 21.438 1.747 0.533 0.742 0.862 0.517 CB 1.389 30 residues pruned to eliminate duplicates Z: 11 10.168 1.607 0.574 0.806 0.900 0.200 N 1.082 11 residues pruned to eliminate duplicates Z: 37 28.051 1.773 0.487 0.888 1.000 0.806 CB 1.277 37 residues pruned to eliminate duplicates Z: 25 18.889 1.692 0.419 0.774 0.917 0.542 CB 1.375 25 residues pruned to eliminate duplicates Z: 62 42.344 1.964 0.449 0.887 1.000 0.836 CB 1.373 62 residues pruned to eliminate duplicates Z: 30 27.851 1.858 0.575 0.863 0.966 0.724 CB 1.343 30 residues pruned to eliminate duplicates Z: 56 35.648 1.937 0.373 0.871 0.945 0.818 CB 1.394 56 residues pruned to eliminate duplicates Z: 61 39.908 1.958 0.474 0.857 0.950 0.767 CB 1.385 61 residues pruned to eliminate duplicates Z: 20 21.494 1.673 0.605 0.822 1.000 0.737 N 1.389 20 residues pruned to eliminate duplicates Z: 33 24.680 1.829 0.472 0.798 0.938 0.656 CB 1.331 33 residues pruned to eliminate duplicates Z: 40 25.294 1.941 0.322 0.755 0.897 0.718 CB 1.402 40 residues pruned to eliminate duplicates Z: 18 18.641 1.896 0.451 0.718 0.941 0.824 CB 1.434 18 residues pruned to eliminate duplicates Z: 25 7.472 1.548 0.378 0.434 0.667 0.375 CB 1.148 25 residues pruned to eliminate duplicates Z: 22 22.351 1.882 0.661 0.759 0.905 0.857 CB 1.370 22 residues pruned to eliminate duplicates Z: 23 21.051 1.867 0.601 0.768 0.909 0.727 CB 1.303 23 residues pruned to eliminate duplicates Z: 31 21.384 1.774 0.432 0.828 0.867 0.533 CB 1.335 31 residues pruned to eliminate duplicates Z: 22 17.864 1.731 0.596 0.709 0.905 0.619 CB 1.290 22 residues pruned to eliminate duplicates Z: 52 39.567 1.974 0.620 0.826 0.922 0.765 CB 1.417 52 residues pruned to eliminate duplicates Z: 20 24.269 1.929 0.697 0.805 0.895 0.789 CB 1.456 20 residues pruned to eliminate duplicates Z: 57 37.737 1.951 0.496 0.840 0.946 0.786 CB 1.362 57 residues pruned to eliminate duplicates Z: 43 38.619 2.016 0.599 0.845 0.952 0.810 CB 1.443 43 residues pruned to eliminate duplicates Z: 52 37.672 1.961 0.561 0.828 0.961 0.706 CB 1.350 52 residues pruned to eliminate duplicates Z: 25 19.901 1.838 0.617 0.701 0.875 0.667 CB 1.300 25 residues pruned to eliminate duplicates Z: 22 22.629 1.878 0.767 0.753 0.905 0.667 CB 1.312 22 residues pruned to eliminate duplicates Z: 65 41.784 1.930 0.472 0.859 0.984 0.766 CB 1.375 65 residues pruned to eliminate duplicates Z: 53 39.290 2.011 0.544 0.854 0.962 0.788 CB 1.348 53 residues pruned to eliminate duplicates Z: 45 30.467 1.947 0.529 0.735 0.909 0.727 CB 1.375 45 residues pruned to eliminate duplicates Z: 50 40.799 1.995 0.700 0.827 0.959 0.653 CB 1.349 50 residues pruned to eliminate duplicates Z: 66 41.001 1.937 0.569 0.831 0.923 0.723 CB 1.362 66 residues pruned to eliminate duplicates Z: 55 37.434 1.969 0.516 0.807 0.963 0.759 CB 1.356 55 residues pruned to eliminate duplicates Z: 51 40.918 2.010 0.667 0.863 0.940 0.800 CB 1.348 51 residues pruned to eliminate duplicates Z: 44 24.691 1.878 0.264 0.737 0.930 0.791 CB 1.379 44 residues pruned to eliminate duplicates Z: 61 41.013 1.973 0.457 0.887 0.967 0.850 CB 1.374 61 residues pruned to eliminate duplicates Z: 52 37.914 1.987 0.493 0.837 0.980 0.706 CB 1.366 52 residues pruned to eliminate duplicates Z: 54 35.948 1.959 0.462 0.827 0.962 0.755 CB 1.350 54 residues pruned to eliminate duplicates Z: 57 41.202 1.988 0.471 0.855 1.000 0.839 CB 1.390 57 residues pruned to eliminate duplicates Z: 45 38.065 2.048 0.562 0.812 0.955 0.864 CB 1.433 45 residues pruned to eliminate duplicates Z: 59 42.559 1.993 0.550 0.872 0.966 0.793 CB 1.366 59 residues pruned to eliminate duplicates Z: 33 30.308 2.063 0.530 0.737 0.969 0.625 CB 1.416 33 residues pruned to eliminate duplicates Z: 47 37.606 2.017 0.637 0.786 0.913 0.674 CB 1.431 47 residues pruned to eliminate duplicates Z: 53 33.815 1.970 0.510 0.754 0.885 0.635 CB 1.421 53 residues pruned to eliminate duplicates Z: 51 43.405 1.991 0.737 0.835 1.000 0.760 CB 1.329 51 residues pruned to eliminate duplicates Z: 49 33.064 1.943 0.660 0.735 0.917 0.583 CB 1.307 49 residues pruned to eliminate duplicates Z: 49 46.387 2.049 0.795 0.884 0.979 0.812 CB 1.343 49 residues pruned to eliminate duplicates Z: 51 35.158 1.975 0.629 0.761 0.900 0.720 CB 1.362 51 residues pruned to eliminate duplicates Z: 55 40.620 1.970 0.857 0.788 0.926 0.537 CB 1.267 55 residues pruned to eliminate duplicates Z: 63 35.490 1.900 0.623 0.707 0.919 0.532 CB 1.318 63 residues pruned to eliminate duplicates Z: 59 46.037 2.008 0.670 0.883 0.983 0.672 CB 1.326 59 residues pruned to eliminate duplicates Z: 64 41.500 1.924 0.636 0.855 0.952 0.714 CB 1.287 64 residues pruned to eliminate duplicates Z: 55 47.386 1.985 0.880 0.858 0.963 0.741 CB 1.322 55 residues pruned to eliminate duplicates Z: 59 41.643 1.938 0.702 0.813 0.983 0.552 CB 1.285 59 residues pruned to eliminate duplicates Z: 60 41.916 1.920 0.803 0.813 0.932 0.576 CB 1.288 60 residues pruned to eliminate duplicates Z: 71 41.477 1.895 0.720 0.795 0.914 0.600 CB 1.284 71 residues pruned to eliminate duplicates Z: 59 44.836 1.950 0.878 0.836 0.931 0.569 CB 1.292 59 residues pruned to eliminate duplicates Z: 17 13.790 1.736 0.892 0.633 0.938 0.625 CB 0.988 17 residues pruned to eliminate duplicates Z: 20 22.137 1.854 0.849 0.891 0.947 0.579 CB 1.124 20 residues pruned to eliminate duplicates Z: 62 50.674 1.990 0.830 0.875 0.967 0.672 CB 1.340 62 residues pruned to eliminate duplicates Z: 21 20.245 1.847 0.640 0.848 0.950 0.750 CB 1.167 21 residues pruned to eliminate duplicates Z: 60 46.125 1.953 0.895 0.859 0.949 0.576 CB 1.258 60 residues pruned to eliminate duplicates Z: 61 46.403 1.959 0.941 0.852 0.950 0.567 CB 1.227 61 residues pruned to eliminate duplicates Z: 33 41.922 2.050 1.018 0.950 0.969 0.688 CB 1.275 33 residues pruned to eliminate duplicates Z: 60 52.422 1.994 0.909 0.903 0.966 0.661 CB 1.322 60 residues pruned to eliminate duplicates Z: 61 44.920 1.955 0.843 0.867 0.983 0.667 CB 1.197 61 residues pruned to eliminate duplicates Z: 59 45.853 1.967 0.800 0.825 0.966 0.517 CB 1.329 59 residues pruned to eliminate duplicates Z: 12 11.732 1.541 0.930 0.844 0.818 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 60 52.584 1.980 0.982 0.899 0.983 0.610 CB 1.269 58 residues pruned to eliminate duplicates Z: 37 42.205 2.034 0.729 0.902 0.972 0.778 CA 1.468 37 residues pruned to eliminate duplicates Z: 72 58.191 2.086 0.618 0.897 1.000 0.817 CA 1.465 72 residues pruned to eliminate duplicates Z: 63 57.408 2.115 0.673 0.875 0.984 0.806 CA 1.523 63 residues pruned to eliminate duplicates Z: 39 36.832 1.913 0.984 0.722 0.921 0.632 CB 1.398 19 residues pruned to eliminate duplicates Z: 38 41.780 2.012 0.689 0.928 1.000 0.838 CA 1.415 38 residues pruned to eliminate duplicates Z: 34 33.869 1.942 0.803 0.796 1.000 0.818 CA 1.300 34 residues pruned to eliminate duplicates Z: 57 49.240 2.069 0.666 0.843 0.982 0.768 CA 1.447 57 residues pruned to eliminate duplicates Z: 47 49.568 2.087 0.710 0.884 1.000 0.848 CA 1.481 47 residues pruned to eliminate duplicates Z: 57 49.583 2.068 0.732 0.844 0.982 0.714 CA 1.402 57 residues pruned to eliminate duplicates Z: 72 60.840 2.092 0.674 0.900 1.000 0.803 CA 1.473 72 residues pruned to eliminate duplicates Z: 57 55.697 2.096 0.731 0.904 1.000 0.804 CA 1.460 57 residues pruned to eliminate duplicates Z: 62 53.501 2.064 0.753 0.832 0.967 0.721 CA 1.470 62 residues pruned to eliminate duplicates Z: 60 57.727 2.044 0.880 0.854 0.949 0.746 CA 1.522 60 residues pruned to eliminate duplicates Z: 50 51.165 2.043 0.787 0.833 1.000 0.796 CA 1.502 50 residues pruned to eliminate duplicates Z: 78 57.262 2.026 0.662 0.830 0.974 0.766 CA 1.495 78 residues pruned to eliminate duplicates Z: 57 57.328 2.036 0.887 0.848 0.982 0.750 CA 1.506 57 residues pruned to eliminate duplicates Z: 72 61.633 2.094 0.707 0.900 1.000 0.803 CA 1.462 72 residues pruned to eliminate duplicates Z: 57 50.353 2.045 0.739 0.795 0.964 0.768 CA 1.515 57 residues pruned to eliminate duplicates Z: 63 53.981 2.029 0.735 0.834 0.952 0.823 CA 1.534 63 residues pruned to eliminate duplicates Z: 58 52.954 2.088 0.809 0.795 0.965 0.737 CA 1.486 58 residues pruned to eliminate duplicates Z: 56 60.165 2.102 0.809 0.897 1.000 0.782 CA 1.527 56 residues pruned to eliminate duplicates Z: 50 46.883 2.073 0.691 0.828 0.980 0.735 CA 1.468 50 residues pruned to eliminate duplicates Z: 65 48.888 2.061 0.670 0.813 0.953 0.703 CA 1.420 65 residues pruned to eliminate duplicates Z: 45 41.571 2.028 0.797 0.757 0.955 0.750 CA 1.432 45 residues pruned to eliminate duplicates Z: 69 63.403 2.097 0.818 0.880 0.956 0.794 CA 1.529 69 residues pruned to eliminate duplicates Z: 43 42.750 2.078 0.745 0.785 0.929 0.714 CA 1.525 43 residues pruned to eliminate duplicates Z: 43 41.735 1.943 0.897 0.721 0.929 0.667 CB 1.541 43 residues pruned to eliminate duplicates Z: 41 44.293 2.115 0.707 0.827 0.975 0.800 CA 1.500 41 residues pruned to eliminate duplicates Z: 43 43.081 2.115 0.657 0.842 0.976 0.881 CA 1.447 43 residues pruned to eliminate duplicates Z: 63 65.667 2.101 0.848 0.905 1.000 0.855 CA 1.529 63 residues pruned to eliminate duplicates Z: 41 49.281 2.126 0.775 0.849 1.000 0.850 CA 1.530 41 residues pruned to eliminate duplicates Z: 57 55.885 2.137 0.715 0.852 0.964 0.821 CA 1.563 57 residues pruned to eliminate duplicates Z: 43 42.441 2.066 0.634 0.815 0.976 0.786 CA 1.511 43 residues pruned to eliminate duplicates Z: 44 42.656 2.112 0.720 0.789 0.977 0.721 CA 1.422 44 residues pruned to eliminate duplicates Z: 43 46.411 2.119 0.674 0.844 0.976 0.786 CB 1.538 43 residues pruned to eliminate duplicates Z: 60 59.084 2.052 0.946 0.837 0.966 0.746 CA 1.491 60 residues pruned to eliminate duplicates Z: 42 38.979 2.135 0.631 0.805 0.976 0.780 CA 1.374 42 residues pruned to eliminate duplicates Z: 59 56.953 2.085 0.802 0.840 0.983 0.759 CA 1.511 59 residues pruned to eliminate duplicates Z: 44 41.017 2.127 0.658 0.813 0.953 0.814 CA 1.418 44 residues pruned to eliminate duplicates Z: 41 44.267 2.136 0.672 0.844 1.000 0.775 CA 1.458 41 residues pruned to eliminate duplicates Z: 72 65.464 2.100 0.778 0.900 1.000 0.845 CA 1.487 72 residues pruned to eliminate duplicates Z: 44 48.870 2.097 0.881 0.774 0.977 0.721 CA 1.518 44 residues pruned to eliminate duplicates Z: 59 54.714 2.101 0.810 0.809 0.966 0.793 CA 1.495 59 residues pruned to eliminate duplicates Z: 57 53.530 2.083 0.858 0.792 0.946 0.625 CB 1.512 57 residues pruned to eliminate duplicates Z: 48 53.190 2.144 0.903 0.819 0.957 0.702 CA 1.506 48 residues pruned to eliminate duplicates Z: 55 65.524 2.171 0.888 0.882 0.981 0.778 CA 1.604 55 residues pruned to eliminate duplicates Z: 72 68.358 2.081 0.858 0.898 1.000 0.775 CA 1.502 72 residues pruned to eliminate duplicates Z: 59 59.591 2.111 0.880 0.852 0.948 0.741 CA 1.538 59 residues pruned to eliminate duplicates Z: 58 57.956 2.083 0.939 0.844 0.947 0.754 CB 1.493 58 residues pruned to eliminate duplicates Z: 68 57.765 2.084 0.784 0.822 0.970 0.761 CA 1.479 68 residues pruned to eliminate duplicates Z: 54 61.692 2.177 0.784 0.893 1.000 0.717 CA 1.566 54 residues pruned to eliminate duplicates Z: 50 52.065 2.108 0.987 0.793 0.939 0.551 CB 1.462 50 residues pruned to eliminate duplicates Z: 72 73.369 2.130 0.882 0.910 0.986 0.761 CA 1.562 72 residues pruned to eliminate duplicates Z: 64 64.974 2.071 0.960 0.862 0.984 0.794 CA 1.505 64 residues pruned to eliminate duplicates Z: 63 68.744 2.111 0.944 0.888 1.000 0.774 CA 1.534 63 residues pruned to eliminate duplicates Z: 63 67.483 2.097 0.957 0.880 0.984 0.790 CA 1.538 63 residues pruned to eliminate duplicates Z: 20 30.407 2.121 0.760 0.854 1.000 0.789 CB 1.381 20 residues pruned to eliminate duplicates Z: 21 31.220 2.067 0.993 0.812 0.950 0.650 CB 1.360 21 residues pruned to eliminate duplicates Z: 19 37.299 2.175 0.878 0.938 1.000 0.778 CB 1.497 19 residues pruned to eliminate duplicates Z: 20 27.985 2.102 0.933 0.824 0.947 0.684 CB 1.260 20 residues pruned to eliminate duplicates Z: 20 30.981 2.148 0.858 0.780 0.947 0.579 CB 1.469 20 residues pruned to eliminate duplicates Z: 18 30.393 2.179 0.905 0.867 0.941 0.588 CB 1.380 18 residues pruned to eliminate duplicates Z: 73 70.965 2.096 0.972 0.886 0.972 0.667 CB 1.502 73 residues pruned to eliminate duplicates Z: 55 58.388 2.095 1.018 0.829 0.944 0.685 CB 1.498 55 residues pruned to eliminate duplicates Z: 21 29.172 2.079 1.049 0.880 0.900 0.600 CB 1.233 21 residues pruned to eliminate duplicates Z: 55 66.522 2.149 1.039 0.881 0.981 0.722 CB 1.524 55 residues pruned to eliminate duplicates Z: 69 64.251 2.095 1.002 0.831 0.912 0.662 CB 1.530 69 residues pruned to eliminate duplicates Z: 17 39.054 2.210 1.179 0.936 0.938 0.625 CB 1.506 17 residues pruned to eliminate duplicates Z: 70 69.557 2.117 0.950 0.888 0.971 0.696 CB 1.505 20 residues pruned to eliminate duplicates Z: 36 59.819 2.153 1.195 0.949 0.971 0.657 CB 1.519 36 residues pruned to eliminate duplicates Z: 12 12.201 1.429 0.632 0.782 1.000 0.818 N 1.230 12 residues pruned to eliminate duplicates Z: 7 6.896 1.522 0.719 0.727 0.833 0.833 CB 1.053 7 residues pruned to eliminate duplicates Z: 11 10.681 1.513 0.634 0.720 0.900 0.700 N 1.243 11 residues pruned to eliminate duplicates Z: 9 6.715 1.344 0.786 0.627 0.875 0.625 CB 1.003 9 residues pruned to eliminate duplicates Z: 10 8.217 1.437 0.534 0.807 0.889 0.778 N 1.069 10 residues pruned to eliminate duplicates Z: 12 6.709 1.415 0.541 0.540 0.818 0.455 CB 1.090 12 residues pruned to eliminate duplicates Z: 10 9.439 1.516 0.613 0.667 0.889 0.556 N 1.240 10 residues pruned to eliminate duplicates Z: 10 8.596 1.506 0.771 0.653 0.778 0.333 N 1.199 10 residues pruned to eliminate duplicates Z: 7 7.596 1.381 0.715 0.792 1.000 0.833 CA 1.014 7 residues pruned to eliminate duplicates Z: 7 6.731 1.398 0.908 0.694 0.833 0.667 CB 1.035 7 residues pruned to eliminate duplicates Z: 31 19.323 1.644 0.474 0.826 0.967 0.833 CB 1.135 31 residues pruned to eliminate duplicates Z: 8 4.758 1.517 0.117 0.615 0.857 0.857 CB 1.111 8 residues pruned to eliminate duplicates Z: 39 25.093 1.663 0.571 0.848 1.000 0.816 CB 1.156 44 residues pruned to eliminate duplicates Z: 27 18.341 1.590 0.458 0.874 1.000 0.846 CB 1.129 27 residues pruned to eliminate duplicates Z: 29 17.327 1.637 0.475 0.661 0.964 0.607 CB 1.211 29 residues pruned to eliminate duplicates Z: 12 8.542 1.386 0.304 0.838 1.000 0.636 O 1.065 12 residues pruned to eliminate duplicates Z: 26 20.731 1.628 0.553 0.846 1.000 0.760 CB 1.218 26 residues pruned to eliminate duplicates Z: 11 8.043 1.503 0.589 0.618 0.800 0.700 CB 1.190 11 residues pruned to eliminate duplicates Z: 44 23.660 1.731 0.474 0.803 0.884 0.814 CB 1.228 44 residues pruned to eliminate duplicates Z: 18 13.700 1.632 0.384 0.795 0.941 0.765 CB 1.207 18 residues pruned to eliminate duplicates Z: 38 19.587 1.667 0.423 0.734 0.919 0.730 CB 1.197 38 residues pruned to eliminate duplicates Z: 24 18.728 1.704 0.482 0.775 0.957 0.870 CB 1.268 24 residues pruned to eliminate duplicates Z: 21 21.786 1.710 0.598 0.860 1.000 0.800 CB 1.311 21 residues pruned to eliminate duplicates Z: 18 20.499 1.638 0.577 0.876 1.000 0.824 CB 1.399 18 residues pruned to eliminate duplicates Z: 18 17.744 1.627 0.627 0.825 1.000 0.765 CB 1.227 18 residues pruned to eliminate duplicates Z: 20 17.267 1.621 0.577 0.862 1.000 0.842 CB 1.137 20 residues pruned to eliminate duplicates Z: 41 21.938 1.689 0.554 0.759 0.900 0.750 CB 1.166 41 residues pruned to eliminate duplicates Z: 39 22.169 1.676 0.646 0.707 0.921 0.711 CB 1.173 39 residues pruned to eliminate duplicates Z: 38 24.343 1.698 0.554 0.815 0.973 0.757 CB 1.185 38 residues pruned to eliminate duplicates Z: 34 22.936 1.681 0.597 0.815 0.939 0.758 CB 1.203 34 residues pruned to eliminate duplicates Z: 38 24.002 1.708 0.571 0.842 0.892 0.784 CB 1.229 38 residues pruned to eliminate duplicates Z: 23 16.402 1.605 0.546 0.564 1.000 0.727 CB 1.325 23 residues pruned to eliminate duplicates Z: 40 27.004 1.706 0.640 0.818 0.974 0.846 CB 1.203 40 residues pruned to eliminate duplicates Z: 43 22.273 1.677 0.430 0.808 0.929 0.762 CB 1.180 43 residues pruned to eliminate duplicates Z: 32 37.898 2.091 0.564 0.881 0.968 0.871 CB 1.558 32 residues pruned to eliminate duplicates Z: 33 35.200 2.036 0.542 0.854 0.969 0.812 CB 1.511 33 residues pruned to eliminate duplicates Z: 13 16.788 1.849 0.591 0.765 0.917 0.667 CB 1.421 13 residues pruned to eliminate duplicates Z: 32 39.550 2.096 0.544 0.884 1.000 0.839 CB 1.586 32 residues pruned to eliminate duplicates Z: 32 41.675 2.099 0.765 0.884 0.968 0.774 CB 1.509 32 residues pruned to eliminate duplicates Z: 35 39.035 2.053 0.791 0.847 0.941 0.794 CB 1.436 35 residues pruned to eliminate duplicates Z: 31 44.039 2.103 0.855 0.911 0.967 0.833 CB 1.512 31 residues pruned to eliminate duplicates Z: 33 33.374 1.996 0.731 0.786 0.938 0.688 CB 1.416 33 residues pruned to eliminate duplicates Z: 32 44.170 2.103 0.877 0.866 1.000 0.839 CB 1.471 32 residues pruned to eliminate duplicates Z: 57 48.119 1.987 0.843 0.833 0.964 0.786 CB 1.367 69 residues pruned to eliminate duplicates Z: 32 39.577 1.995 0.782 0.917 1.000 0.903 CB 1.411 32 residues pruned to eliminate duplicates Z: 33 40.496 2.058 0.802 0.854 1.000 0.750 CB 1.425 33 residues pruned to eliminate duplicates Z: 34 41.571 2.105 0.722 0.868 0.970 0.788 CB 1.505 34 residues pruned to eliminate duplicates Z: 31 40.577 2.041 0.782 0.882 0.967 0.800 CB 1.525 31 residues pruned to eliminate duplicates Z: 33 38.720 2.086 0.855 0.842 0.938 0.750 CB 1.406 33 residues pruned to eliminate duplicates Z: 44 38.561 1.975 0.790 0.744 0.930 0.651 CB 1.437 44 residues pruned to eliminate duplicates Z: 28 32.916 2.102 0.661 0.830 0.889 0.741 CB 1.535 28 residues pruned to eliminate duplicates Z: 39 39.096 2.061 0.702 0.828 0.947 0.789 CB 1.437 40 residues pruned to eliminate duplicates Z: 32 38.549 1.985 0.769 0.909 1.000 0.774 CB 1.399 32 residues pruned to eliminate duplicates Z: 54 48.269 2.006 0.828 0.818 0.943 0.679 CB 1.454 54 residues pruned to eliminate duplicates Z: 47 39.572 1.947 0.805 0.738 0.935 0.761 CB 1.435 36 residues pruned to eliminate duplicates Z: 31 40.517 2.067 0.705 0.917 1.000 0.833 CB 1.481 31 residues pruned to eliminate duplicates Z: 54 46.119 1.996 0.671 0.814 0.962 0.774 CB 1.502 54 residues pruned to eliminate duplicates Z: 34 43.936 2.095 0.858 0.887 0.970 0.788 CB 1.461 34 residues pruned to eliminate duplicates Z: 30 42.753 2.106 0.810 0.951 0.966 0.793 CB 1.487 30 residues pruned to eliminate duplicates Z: 43 36.192 1.938 0.870 0.695 0.929 0.643 CB 1.388 43 residues pruned to eliminate duplicates Z: 34 42.758 2.048 0.894 0.850 1.000 0.727 CB 1.421 34 residues pruned to eliminate duplicates Z: 28 42.695 2.096 0.937 0.875 1.000 0.778 CB 1.472 28 residues pruned to eliminate duplicates Z: 30 44.868 2.106 0.949 0.919 0.966 0.759 CB 1.481 30 residues pruned to eliminate duplicates Z: 51 43.564 1.990 0.761 0.780 0.940 0.720 CB 1.461 51 residues pruned to eliminate duplicates Z: 38 32.852 1.915 0.875 0.731 0.919 0.649 CB 1.329 38 residues pruned to eliminate duplicates Z: 56 43.266 1.944 0.725 0.780 0.982 0.655 CB 1.384 56 residues pruned to eliminate duplicates Z: 54 48.853 2.009 0.791 0.823 0.943 0.774 CB 1.495 54 residues pruned to eliminate duplicates Z: 7 3.019 1.557 0.459 0.424 0.833 0.500 CB 0.705 7 residues pruned to eliminate duplicates Z: 22 28.318 1.912 0.813 0.808 0.952 0.905 CA 1.431 22 residues pruned to eliminate duplicates Z: 44 42.200 1.990 0.777 0.769 0.977 0.767 CB 1.468 35 residues pruned to eliminate duplicates Z: 25 25.794 1.835 0.597 0.877 0.958 0.750 CB 1.362 25 residues pruned to eliminate duplicates Z: 23 26.295 1.894 0.855 0.734 0.955 0.591 CB 1.354 18 residues pruned to eliminate duplicates Z: 25 27.195 1.806 0.848 0.896 0.958 0.750 CB 1.244 25 residues pruned to eliminate duplicates Z: 26 24.504 1.845 0.838 0.650 0.920 0.560 CB 1.366 26 residues pruned to eliminate duplicates Z: 57 44.500 1.964 0.843 0.782 0.929 0.696 CB 1.380 57 residues pruned to eliminate duplicates Z: 44 37.928 1.970 0.843 0.727 0.930 0.628 CB 1.396 44 residues pruned to eliminate duplicates Z: 51 40.481 1.968 0.703 0.805 0.920 0.620 CB 1.423 23 residues pruned to eliminate duplicates Z: 25 24.503 1.827 0.645 0.911 0.917 0.750 CB 1.286 18 residues pruned to eliminate duplicates Z: 21 29.247 1.920 0.824 0.893 1.000 0.550 CB 1.340 21 residues pruned to eliminate duplicates Z: 25 24.128 1.889 0.725 0.719 0.958 0.750 CB 1.294 25 residues pruned to eliminate duplicates Z: 26 25.560 1.858 0.830 0.758 0.960 0.720 CB 1.245 26 residues pruned to eliminate duplicates Z: 54 47.695 2.014 0.787 0.826 0.981 0.736 CB 1.400 54 residues pruned to eliminate duplicates Z: 59 45.133 1.985 0.825 0.810 0.966 0.672 CB 1.294 59 residues pruned to eliminate duplicates Z: 53 47.334 1.998 0.854 0.801 0.981 0.769 CB 1.389 53 residues pruned to eliminate duplicates Z: 57 48.533 1.993 0.817 0.838 1.000 0.643 CB 1.339 57 residues pruned to eliminate duplicates Z: 58 43.697 1.969 0.666 0.818 1.000 0.667 CB 1.339 58 residues pruned to eliminate duplicates Z: 25 28.268 1.812 0.922 0.893 0.958 0.542 CB 1.241 23 residues pruned to eliminate duplicates Z: 25 26.029 1.830 0.742 0.918 0.958 0.875 CB 1.227 25 residues pruned to eliminate duplicates Z: 57 43.273 1.941 0.757 0.834 0.982 0.696 CB 1.294 57 residues pruned to eliminate duplicates Z: 24 28.751 1.827 0.894 0.923 0.957 0.652 CB 1.273 24 residues pruned to eliminate duplicates Z: 60 45.108 1.917 0.821 0.832 0.949 0.695 CB 1.330 60 residues pruned to eliminate duplicates Z: 31 21.362 1.738 0.801 0.816 0.933 0.600 CB 1.014 29 residues pruned to eliminate duplicates Z: 17 11.529 1.654 0.386 0.788 0.875 0.625 CB 1.115 17 residues pruned to eliminate duplicates Z: 18 16.124 1.772 0.432 0.828 0.941 0.588 CB 1.233 18 residues pruned to eliminate duplicates Z: 13 15.030 1.823 0.541 0.734 0.917 0.833 CB 1.364 13 residues pruned to eliminate duplicates Z: 16 17.997 1.811 0.601 0.842 1.000 0.800 CB 1.194 16 residues pruned to eliminate duplicates Z: 22 21.560 1.842 0.551 0.939 0.952 0.857 CB 1.201 22 residues pruned to eliminate duplicates Z: 11 15.120 1.855 0.970 0.829 0.900 0.600 CB 1.094 11 residues pruned to eliminate duplicates Z: 21 21.296 1.804 0.659 0.786 0.900 0.500 CB 1.375 20 residues pruned to eliminate duplicates Z: 38 27.739 1.681 0.942 0.893 0.919 0.649 CB 1.092 38 residues pruned to eliminate duplicates Z: 17 15.513 1.738 0.677 0.627 0.938 0.438 CB 1.259 17 residues pruned to eliminate duplicates Z: 12 14.340 1.759 0.479 0.800 0.909 0.727 CB 1.407 12 residues pruned to eliminate duplicates Z: 19 18.660 1.766 0.785 0.712 0.778 0.611 N 1.480 20 residues pruned to eliminate duplicates Z: 17 22.811 1.722 0.873 0.924 1.000 0.562 CB 1.241 16 residues pruned to eliminate duplicates Z: 20 24.712 1.837 0.849 0.940 0.947 0.579 CB 1.223 20 residues pruned to eliminate duplicates Z: 9 14.586 1.751 1.041 0.895 1.000 0.625 CB 1.034 9 residues pruned to eliminate duplicates Z: 36 32.015 1.738 0.969 0.943 1.000 0.343 CB 1.096 36 residues pruned to eliminate duplicates Z: 11 14.361 1.740 0.716 0.732 0.900 0.500 N 1.372 11 residues pruned to eliminate duplicates Z: 12 16.526 1.781 0.677 0.918 1.000 0.636 CB 1.176 12 residues pruned to eliminate duplicates Z: 12 16.261 1.787 0.616 0.909 1.000 0.545 CB 1.204 12 residues pruned to eliminate duplicates Z: 12 18.633 1.798 0.696 0.910 1.000 0.364 CB 1.307 12 residues pruned to eliminate duplicates Z: 8 4.122 1.259 0.251 0.710 0.857 0.714 CB 0.954 6 residues pruned to eliminate duplicates Z: 6 4.620 1.279 0.270 0.850 1.000 0.800 O 0.943 6 residues pruned to eliminate duplicates Z: 7 4.947 1.314 0.582 0.407 1.000 0.833 O 1.071 7 residues pruned to eliminate duplicates Z: 7 9.489 1.510 0.521 0.775 1.000 0.833 O 1.323 7 residues pruned to eliminate duplicates Z: 11 8.204 1.434 0.358 0.826 0.900 0.800 CA 1.116 11 residues pruned to eliminate duplicates Z: 15 7.728 1.464 0.471 0.444 0.857 0.357 CB 1.185 11 residues pruned to eliminate duplicates Z: 16 13.337 1.443 0.444 0.862 1.000 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 11 8.687 1.580 0.459 0.635 0.900 0.400 CB 1.167 11 residues pruned to eliminate duplicates Z: 21 13.732 1.512 0.451 0.757 0.900 0.550 CB 1.237 21 residues pruned to eliminate duplicates Z: 17 10.648 1.465 0.283 0.743 1.000 0.688 CA 1.139 17 residues pruned to eliminate duplicates Z: 15 10.438 1.422 0.455 0.717 1.000 0.643 CB 1.108 15 residues pruned to eliminate duplicates Z: 6 8.114 1.450 0.582 0.878 1.000 1.000 N 1.148 6 residues pruned to eliminate duplicates Z: 19 12.416 1.477 0.326 0.765 1.000 0.611 CA 1.182 19 residues pruned to eliminate duplicates Z: 15 10.372 1.577 0.346 0.804 0.857 0.786 CB 1.169 15 residues pruned to eliminate duplicates Z: 12 10.363 1.554 0.467 0.739 0.909 0.545 CB 1.218 12 residues pruned to eliminate duplicates Z: 19 12.582 1.547 0.459 0.700 0.889 0.611 CB 1.232 18 residues pruned to eliminate duplicates Z: 19 15.198 1.471 0.531 0.878 1.000 0.778 CB 1.154 19 residues pruned to eliminate duplicates Z: 18 12.504 1.564 0.408 0.804 0.941 0.588 CB 1.122 17 residues pruned to eliminate duplicates Z: 23 17.188 1.493 0.573 0.869 0.909 0.682 CB 1.254 23 residues pruned to eliminate duplicates Z: 14 12.053 1.567 0.495 0.650 1.000 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 13 5.913 1.548 0.327 0.418 0.750 0.333 CB 1.206 13 residues pruned to eliminate duplicates Z: 24 12.464 1.520 0.656 0.604 0.826 0.391 CB 1.132 26 residues pruned to eliminate duplicates Z: 24 17.240 1.474 0.722 0.873 0.870 0.696 CB 1.186 24 residues pruned to eliminate duplicates Z: 17 12.556 1.520 0.580 0.493 1.000 0.688 CB 1.316 17 residues pruned to eliminate duplicates Z: 17 15.536 1.549 0.663 0.847 1.000 0.812 CB 1.119 16 residues pruned to eliminate duplicates Z: 22 17.600 1.505 0.637 0.860 0.905 0.571 CB 1.267 22 residues pruned to eliminate duplicates Z: 14 6.651 1.506 0.195 0.770 0.923 0.692 CB 0.875 14 residues pruned to eliminate duplicates Z: 6 6.738 1.617 0.684 0.828 0.800 0.600 CB 1.042 5 residues pruned to eliminate duplicates Z: 10 8.713 1.489 0.411 0.727 1.000 0.667 CA 1.127 10 residues pruned to eliminate duplicates Z: 12 9.764 1.491 0.674 0.670 0.909 0.273 CB 1.109 12 residues pruned to eliminate duplicates Z: 11 10.435 1.547 0.575 0.673 0.900 0.300 CB 1.283 11 residues pruned to eliminate duplicates Z: 11 10.806 1.583 0.515 0.682 1.000 0.300 CB 1.205 9 residues pruned to eliminate duplicates Z: 14 15.045 1.579 0.652 0.914 1.000 0.846 CB 1.132 14 residues pruned to eliminate duplicates Z: 7 3.527 1.612 0.112 0.563 0.833 0.333 CB 0.907 7 residues pruned to eliminate duplicates Z: 20 13.120 1.485 0.450 0.816 0.947 0.737 CB 1.121 20 residues pruned to eliminate duplicates Z: 17 13.048 1.502 0.766 0.759 0.875 0.750 CA 1.116 17 residues pruned to eliminate duplicates Z: 14 10.628 1.531 0.772 0.767 0.846 0.769 CB 1.013 14 residues pruned to eliminate duplicates Z: 11 16.402 1.637 0.941 0.911 1.000 0.900 CB 1.157 11 residues pruned to eliminate duplicates Z: 20 17.884 1.545 0.707 0.893 0.947 0.789 CB 1.179 20 residues pruned to eliminate duplicates Z: 16 12.559 1.497 0.475 0.901 0.933 0.867 CA 1.123 16 residues pruned to eliminate duplicates Z: 6 3.909 1.490 0.462 0.675 0.800 0.800 CB 0.854 6 residues pruned to eliminate duplicates Z: 13 14.639 1.565 0.528 0.907 1.000 0.917 CB 1.255 13 residues pruned to eliminate duplicates Z: 15 10.713 1.468 0.550 0.791 0.857 0.714 CB 1.137 15 residues pruned to eliminate duplicates Z: 13 10.778 1.514 0.708 0.766 0.833 0.583 N 1.140 13 residues pruned to eliminate duplicates Z: 12 12.325 1.564 0.588 0.829 0.909 0.727 CB 1.239 12 residues pruned to eliminate duplicates Z: 11 12.215 1.567 0.626 0.786 0.900 0.800 CA 1.310 11 residues pruned to eliminate duplicates Z: 14 10.731 1.484 0.630 0.751 0.923 0.846 N 1.066 14 residues pruned to eliminate duplicates Z: 15 5.605 1.365 0.679 0.381 0.786 0.571 N 0.944 15 residues pruned to eliminate duplicates Z: 11 11.029 1.569 0.682 0.770 0.800 0.600 N 1.301 11 residues pruned to eliminate duplicates Z: 17 10.084 1.470 0.663 0.624 0.875 0.625 CB 1.049 17 residues pruned to eliminate duplicates Z: 13 9.933 1.511 0.572 0.726 0.833 0.833 N 1.182 13 residues pruned to eliminate duplicates 483 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 29 D: 48 E: 71 F: 70 G: 63 H: 43 I: 62 J: 23 K: 33 L: 28 CC for partial structure against native data = 42.32 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.452, Connect. = 0.725 for dens.mod. cycle 1 = 0.300, Contrast = 0.533, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.639, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.651, Connect. = 0.788 for dens.mod. cycle 4 = 0.300, Contrast = 0.661, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.664, Connect. = 0.792 for dens.mod. cycle 6 = 0.300, Contrast = 0.668, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.669, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.669, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.669, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2679 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 592 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 37 56.082 2.035 1.069 0.918 1.000 0.528 CA 1.566 B: 38 53.255 1.981 1.038 0.912 1.000 0.649 CA 1.536 38 residues pruned to eliminate duplicates C: 21 29.738 2.159 0.421 0.931 1.000 0.900 CB 1.516 D: 30 45.574 2.117 0.846 0.930 1.000 0.931 CA 1.515 E: 37 48.980 2.057 0.828 0.935 1.000 0.694 CA 1.513 37 residues pruned to eliminate duplicates F: 22 28.767 1.976 0.770 0.855 0.905 0.762 CA 1.465 G: 11 8.505 2.056 0.254 0.440 0.800 0.500 CB 1.387 9 residues pruned to eliminate duplicates H: 28 52.625 2.236 1.027 0.967 1.000 1.000 CA 1.523 30 residues pruned to eliminate duplicates I: 35 31.852 1.999 0.374 0.958 1.000 0.941 CB 1.365 21 residues pruned to eliminate duplicates J: 30 29.791 1.937 0.468 0.913 1.000 0.897 CA 1.377 24 residues pruned to eliminate duplicates K: 30 36.082 1.936 0.734 0.945 1.000 0.759 CB 1.382 L: 35 31.141 2.004 0.398 0.944 1.000 0.912 CB 1.320 35 residues pruned to eliminate duplicates M: 37 43.551 2.022 0.717 0.911 1.000 0.667 CA 1.481 37 residues pruned to eliminate duplicates N: 35 44.332 2.044 0.681 0.926 1.000 0.882 CA 1.552 35 residues pruned to eliminate duplicates O: 30 25.951 2.066 0.189 0.935 1.000 0.862 CB 1.367 30 residues pruned to eliminate duplicates P: 38 51.115 2.004 1.089 0.913 0.946 0.649 CA 1.501 38 residues pruned to eliminate duplicates Q: 27 40.524 2.109 0.817 0.928 0.962 0.769 CA 1.510 R: 30 50.485 2.088 1.131 0.933 1.000 0.724 CB 1.471 29 residues pruned to eliminate duplicates S: 29 42.960 2.138 0.730 0.956 1.000 0.786 CA 1.507 28 residues pruned to eliminate duplicates T: 25 28.905 2.039 0.689 0.807 0.958 0.708 CB 1.367 22 residues pruned to eliminate duplicates U: 28 33.332 2.047 0.716 0.855 0.963 0.778 CB 1.400 28 residues pruned to eliminate duplicates V: 36 33.087 2.038 0.575 0.952 0.914 0.829 CA 1.312 27 residues pruned to eliminate duplicates W: 34 32.588 2.032 0.502 0.942 1.000 0.848 CB 1.288 35 residues pruned to eliminate duplicates X: 20 31.100 2.158 0.717 0.940 1.000 0.737 CB 1.338 20 residues pruned to eliminate duplicates Y: 24 23.113 1.820 0.575 0.900 1.000 0.870 CA 1.201 Z: 29 49.776 2.161 1.017 0.934 1.000 0.857 CA 1.505 29 residues pruned to eliminate duplicates Z: 29 55.124 2.151 1.237 0.923 1.000 0.750 CB 1.522 29 residues pruned to eliminate duplicates Z: 30 28.622 1.914 0.532 0.900 1.000 0.828 CA 1.295 30 residues pruned to eliminate duplicates Z: 28 42.835 2.151 0.794 0.935 1.000 0.852 CA 1.489 28 residues pruned to eliminate duplicates Z: 27 35.383 2.090 0.762 0.927 0.962 0.692 CB 1.373 27 residues pruned to eliminate duplicates Z: 38 42.409 2.003 0.641 0.913 1.000 0.865 CA 1.500 38 residues pruned to eliminate duplicates Z: 35 38.681 2.074 0.819 0.937 0.912 0.706 CB 1.342 35 residues pruned to eliminate duplicates Z: 26 28.313 2.023 0.599 0.750 0.960 0.600 CB 1.459 26 residues pruned to eliminate duplicates Z: 29 28.522 1.850 0.672 0.867 1.000 0.679 CB 1.275 Z: 38 41.031 1.996 0.626 0.926 1.000 0.919 CA 1.457 38 residues pruned to eliminate duplicates Z: 31 40.813 2.111 0.894 0.954 1.000 0.700 CB 1.282 34 residues pruned to eliminate duplicates Z: 18 32.967 2.020 1.061 0.928 1.000 0.647 CB 1.345 18 residues pruned to eliminate duplicates Z: 36 41.418 2.034 0.867 0.930 0.943 0.543 CB 1.367 36 residues pruned to eliminate duplicates Z: 30 32.209 1.938 0.779 0.940 1.000 0.828 CB 1.204 30 residues pruned to eliminate duplicates Z: 36 42.417 2.055 0.701 0.938 1.000 0.743 CB 1.426 35 residues pruned to eliminate duplicates Z: 30 25.201 1.798 0.471 0.900 1.000 0.966 CB 1.263 29 residues pruned to eliminate duplicates Z: 24 25.968 1.888 0.792 0.911 0.870 0.348 CB 1.304 Z: 27 31.898 1.982 0.677 0.892 1.000 0.808 CA 1.352 29 residues pruned to eliminate duplicates Z: 34 44.315 2.090 0.894 0.908 0.970 0.485 CB 1.427 34 residues pruned to eliminate duplicates Z: 28 22.342 2.037 0.418 0.729 0.889 0.667 CB 1.363 18 residues pruned to eliminate duplicates Z: 22 33.129 1.958 0.784 0.921 0.952 0.714 CA 1.530 22 residues pruned to eliminate duplicates Z: 23 22.328 1.769 0.620 0.904 0.955 0.864 CA 1.239 23 residues pruned to eliminate duplicates Z: 37 40.689 2.012 0.631 0.954 1.000 0.833 CA 1.422 37 residues pruned to eliminate duplicates Z: 30 30.579 1.954 0.476 0.948 1.000 0.828 CB 1.359 30 residues pruned to eliminate duplicates Z: 24 26.939 2.013 0.637 0.764 0.957 0.696 CB 1.410 24 residues pruned to eliminate duplicates Z: 37 45.725 2.027 0.914 0.928 0.944 0.889 CA 1.456 37 residues pruned to eliminate duplicates Z: 38 50.252 1.986 0.975 0.922 1.000 0.811 CA 1.482 38 residues pruned to eliminate duplicates Z: 36 45.761 2.040 1.064 0.931 0.971 0.600 CB 1.321 36 residues pruned to eliminate duplicates Z: 34 39.009 2.053 0.828 0.953 1.000 0.515 CB 1.246 31 residues pruned to eliminate duplicates Z: 30 33.507 1.929 0.585 0.944 1.000 0.862 CB 1.409 30 residues pruned to eliminate duplicates Z: 27 26.384 1.825 0.551 0.927 1.000 0.846 CB 1.281 Z: 31 28.077 1.874 0.545 0.932 1.000 0.800 CB 1.237 31 residues pruned to eliminate duplicates Z: 37 48.692 2.014 0.909 0.922 1.000 0.639 CA 1.484 37 residues pruned to eliminate duplicates Z: 32 24.945 2.007 0.432 0.720 0.935 0.613 CB 1.366 34 residues pruned to eliminate duplicates Z: 37 49.140 2.063 0.838 0.918 1.000 0.833 CA 1.523 37 residues pruned to eliminate duplicates Z: 29 27.704 1.786 0.575 0.931 1.000 0.607 CB 1.301 23 residues pruned to eliminate duplicates Z: 31 37.351 2.069 0.758 0.930 1.000 0.767 CB 1.311 31 residues pruned to eliminate duplicates Z: 22 21.388 1.668 0.778 0.865 0.952 0.762 CB 1.211 Z: 29 46.200 2.145 0.853 0.949 1.000 0.821 CA 1.516 29 residues pruned to eliminate duplicates Z: 26 31.942 1.871 0.698 0.943 1.000 1.000 CB 1.393 27 residues pruned to eliminate duplicates Z: 29 43.791 2.151 0.767 0.955 1.000 0.929 CA 1.496 29 residues pruned to eliminate duplicates Z: 11 12.222 1.862 0.085 0.881 1.000 0.800 CA 1.385 11 residues pruned to eliminate duplicates Z: 37 48.657 2.032 0.899 0.926 1.000 0.833 CA 1.474 37 residues pruned to eliminate duplicates Z: 36 48.396 2.042 1.102 0.952 0.971 0.571 CB 1.351 36 residues pruned to eliminate duplicates Z: 13 17.899 1.814 0.856 0.935 1.000 0.833 CB 1.070 14 residues pruned to eliminate duplicates Z: 30 28.959 1.921 0.722 0.933 0.966 0.724 CB 1.175 30 residues pruned to eliminate duplicates Z: 38 48.093 2.050 0.755 0.934 1.000 0.892 CA 1.533 38 residues pruned to eliminate duplicates Z: 35 35.706 2.018 0.660 0.952 0.971 0.794 CB 1.298 35 residues pruned to eliminate duplicates Z: 39 50.038 2.002 0.865 0.927 1.000 0.842 CB 1.525 39 residues pruned to eliminate duplicates Z: 25 34.038 1.875 0.863 0.930 1.000 0.792 CB 1.391 25 residues pruned to eliminate duplicates Z: 28 41.023 2.188 0.697 0.943 1.000 0.852 CA 1.473 28 residues pruned to eliminate duplicates Z: 19 32.650 2.065 0.839 0.825 1.000 0.722 CB 1.529 19 residues pruned to eliminate duplicates Z: 18 23.718 1.918 0.493 0.916 1.000 0.765 CA 1.419 18 residues pruned to eliminate duplicates Z: 27 33.736 2.134 0.558 0.914 1.000 0.692 CB 1.408 27 residues pruned to eliminate duplicates Z: 48 30.991 1.883 0.691 0.727 0.872 0.596 CB 1.327 32 residues pruned to eliminate duplicates Z: 29 47.184 2.128 0.893 0.960 1.000 0.857 CB 1.516 29 residues pruned to eliminate duplicates Z: 22 21.066 1.819 0.401 0.930 1.000 0.810 CB 1.263 Z: 28 27.267 2.153 0.216 0.949 1.000 1.000 CA 1.383 28 residues pruned to eliminate duplicates Z: 21 29.093 1.859 0.935 0.945 0.950 0.650 CA 1.317 24 residues pruned to eliminate duplicates Z: 35 34.566 2.027 0.540 0.941 1.000 0.794 CB 1.318 34 residues pruned to eliminate duplicates Z: 28 21.457 2.073 -0.016 0.943 1.000 1.000 CB 1.403 28 residues pruned to eliminate duplicates Z: 23 28.448 1.881 0.865 0.917 1.000 0.591 CB 1.220 24 residues pruned to eliminate duplicates Z: 71 62.520 2.103 0.695 0.909 1.000 0.857 CA 1.488 73 residues pruned to eliminate duplicates Z: 10 9.123 1.711 0.083 0.924 1.000 1.000 CB 1.152 10 residues pruned to eliminate duplicates Z: 26 22.487 1.780 0.486 0.932 1.000 0.920 CA 1.187 Z: 37 30.334 1.809 0.584 0.900 1.000 0.639 CB 1.260 37 residues pruned to eliminate duplicates Z: 19 28.920 1.949 0.924 0.837 0.889 0.778 CB 1.530 19 residues pruned to eliminate duplicates Z: 29 25.321 1.806 0.554 0.834 0.929 0.821 CB 1.377 29 residues pruned to eliminate duplicates Z: 23 31.326 1.934 0.822 0.946 1.000 0.727 CB 1.311 22 residues pruned to eliminate duplicates Z: 30 50.800 2.129 1.035 0.936 1.000 0.828 CA 1.517 30 residues pruned to eliminate duplicates Z: 29 44.158 2.199 0.755 0.935 1.000 0.929 CA 1.507 29 residues pruned to eliminate duplicates Z: 36 37.678 2.037 0.564 0.944 0.971 0.800 CA 1.426 36 residues pruned to eliminate duplicates Z: 24 33.066 1.911 0.791 0.942 1.000 0.783 CB 1.397 24 residues pruned to eliminate duplicates Z: 31 30.821 1.900 0.708 0.920 0.967 0.700 CB 1.263 31 residues pruned to eliminate duplicates Z: 26 23.779 1.635 0.638 0.898 1.000 0.840 CB 1.270 22 residues pruned to eliminate duplicates Z: 28 45.575 2.130 0.898 0.955 1.000 0.852 CA 1.491 28 residues pruned to eliminate duplicates Z: 37 27.890 1.728 0.894 0.929 0.917 0.611 CB 1.085 Z: 12 16.724 1.645 0.799 0.915 0.909 0.727 CB 1.324 14 residues pruned to eliminate duplicates Z: 30 32.541 1.927 0.815 0.935 0.966 0.828 CB 1.247 30 residues pruned to eliminate duplicates Z: 31 32.105 1.892 0.876 0.926 1.000 0.733 CB 1.158 31 residues pruned to eliminate duplicates Z: 44 33.708 1.940 0.738 0.736 0.953 0.674 CB 1.294 24 residues pruned to eliminate duplicates Z: 23 21.667 1.830 0.457 0.912 0.955 0.955 CA 1.285 23 residues pruned to eliminate duplicates Z: 28 33.552 1.865 0.795 0.944 1.000 0.926 CB 1.336 25 residues pruned to eliminate duplicates Z: 28 28.164 1.830 0.499 0.922 1.000 0.926 CB 1.390 28 residues pruned to eliminate duplicates Z: 22 30.860 1.927 0.742 0.931 1.000 0.762 CB 1.402 22 residues pruned to eliminate duplicates Z: 55 50.148 2.055 0.724 0.855 0.981 0.796 CA 1.448 55 residues pruned to eliminate duplicates Z: 22 28.591 1.976 0.722 0.872 1.000 0.905 CA 1.336 22 residues pruned to eliminate duplicates Z: 13 13.892 1.689 0.808 0.781 0.833 0.583 N 1.230 13 residues pruned to eliminate duplicates Z: 20 25.056 1.831 0.610 0.927 1.000 0.842 CB 1.367 20 residues pruned to eliminate duplicates Z: 38 44.335 1.994 0.696 0.923 1.000 0.811 CA 1.514 38 residues pruned to eliminate duplicates Z: 10 10.787 1.695 0.218 0.927 1.000 1.000 CB 1.221 10 residues pruned to eliminate duplicates Z: 25 29.165 1.841 0.743 0.936 1.000 0.792 CB 1.292 24 residues pruned to eliminate duplicates Z: 35 34.379 1.993 0.766 0.915 0.941 0.559 CB 1.258 35 residues pruned to eliminate duplicates Z: 13 26.246 1.893 0.801 0.932 1.000 0.833 CB 1.551 14 residues pruned to eliminate duplicates Z: 26 30.119 2.016 0.986 0.937 0.920 0.480 CB 1.138 26 residues pruned to eliminate duplicates Z: 38 51.547 2.013 0.937 0.924 1.000 0.757 CA 1.526 38 residues pruned to eliminate duplicates Z: 20 29.162 1.870 0.905 0.920 1.000 0.474 CB 1.323 19 residues pruned to eliminate duplicates Z: 22 33.269 2.020 0.800 0.883 1.000 0.714 CA 1.443 22 residues pruned to eliminate duplicates Z: 29 31.249 1.904 0.819 0.869 1.000 0.643 CB 1.245 29 residues pruned to eliminate duplicates Z: 20 24.659 1.817 0.730 0.939 1.000 0.632 CB 1.251 21 residues pruned to eliminate duplicates Z: 19 16.042 1.709 0.388 0.879 0.889 0.722 CB 1.300 19 residues pruned to eliminate duplicates Z: 22 29.713 1.912 0.682 0.941 1.000 0.857 CB 1.399 22 residues pruned to eliminate duplicates Z: 13 13.314 1.630 0.902 0.889 0.833 0.583 CB 1.071 Z: 19 29.954 1.983 0.819 0.846 0.944 0.722 CB 1.540 19 residues pruned to eliminate duplicates Z: 22 24.266 1.793 0.795 0.897 0.952 0.524 CB 1.236 22 residues pruned to eliminate duplicates Z: 24 21.629 1.655 0.721 0.851 0.957 0.783 CB 1.225 24 residues pruned to eliminate duplicates Z: 31 28.671 1.867 0.638 0.926 0.967 0.667 CB 1.241 30 residues pruned to eliminate duplicates Z: 13 21.367 1.821 0.781 0.874 0.917 0.583 CB 1.510 13 residues pruned to eliminate duplicates Z: 28 47.099 2.209 0.823 0.934 1.000 0.889 CA 1.570 28 residues pruned to eliminate duplicates Z: 19 17.598 1.676 0.897 0.897 0.833 0.500 CB 1.120 19 residues pruned to eliminate duplicates Z: 33 29.945 1.937 0.609 0.797 0.969 0.594 CB 1.352 33 residues pruned to eliminate duplicates Z: 38 27.505 1.751 0.703 0.900 0.973 0.622 CB 1.114 38 residues pruned to eliminate duplicates Z: 35 28.784 1.987 0.210 0.950 1.000 1.000 CB 1.416 35 residues pruned to eliminate duplicates Z: 30 29.508 1.807 0.830 0.880 1.000 0.655 CB 1.201 30 residues pruned to eliminate duplicates Z: 30 31.676 1.903 0.590 0.942 1.000 0.793 CB 1.349 30 residues pruned to eliminate duplicates Z: 27 23.520 1.770 0.439 0.900 0.962 0.846 CA 1.345 25 residues pruned to eliminate duplicates Z: 29 41.515 2.169 0.695 0.924 1.000 0.964 CA 1.499 29 residues pruned to eliminate duplicates Z: 25 33.105 1.958 0.875 0.902 0.958 0.792 CA 1.370 25 residues pruned to eliminate duplicates Z: 23 19.898 1.815 0.358 0.945 0.955 0.909 CA 1.247 21 residues pruned to eliminate duplicates Z: 16 17.567 1.731 0.713 0.922 0.933 0.667 CB 1.153 16 residues pruned to eliminate duplicates Z: 30 29.473 1.930 0.601 0.895 0.966 0.724 CB 1.315 30 residues pruned to eliminate duplicates Z: 37 27.450 1.793 0.599 0.898 0.917 0.556 CB 1.245 37 residues pruned to eliminate duplicates Z: 38 29.439 1.990 0.394 0.886 0.946 0.865 CA 1.330 38 residues pruned to eliminate duplicates Z: 24 28.526 1.886 0.510 0.938 1.000 1.000 CB 1.453 24 residues pruned to eliminate duplicates Z: 26 32.118 2.007 0.745 0.929 0.960 0.800 CB 1.337 26 residues pruned to eliminate duplicates Z: 25 30.002 1.844 0.704 0.922 1.000 0.792 CB 1.371 25 residues pruned to eliminate duplicates Z: 32 29.960 2.042 0.503 0.941 0.968 0.774 CA 1.257 32 residues pruned to eliminate duplicates Z: 38 45.768 2.006 0.724 0.932 1.000 0.838 CA 1.520 38 residues pruned to eliminate duplicates Z: 38 46.310 2.010 0.817 0.912 1.000 0.784 CA 1.476 38 residues pruned to eliminate duplicates Z: 27 23.986 1.772 0.673 0.924 0.962 0.538 CB 1.159 27 residues pruned to eliminate duplicates Z: 22 27.535 1.938 0.687 0.929 0.952 0.762 CB 1.351 22 residues pruned to eliminate duplicates Z: 37 23.157 1.757 0.368 0.883 0.944 0.667 CB 1.229 37 residues pruned to eliminate duplicates Z: 24 28.768 1.887 0.442 0.935 1.000 0.913 CB 1.536 24 residues pruned to eliminate duplicates Z: 36 48.681 2.073 1.031 0.956 0.971 0.600 CB 1.382 36 residues pruned to eliminate duplicates Z: 23 21.599 1.752 0.807 0.886 0.909 0.545 CB 1.154 23 residues pruned to eliminate duplicates Z: 19 16.931 1.705 0.484 0.855 0.944 0.722 CA 1.232 19 residues pruned to eliminate duplicates Z: 20 24.640 1.808 0.553 0.895 1.000 0.789 CB 1.443 19 residues pruned to eliminate duplicates Z: 19 22.449 1.828 0.776 0.828 0.889 0.611 CB 1.381 19 residues pruned to eliminate duplicates Z: 30 43.055 2.133 0.777 0.937 1.000 1.000 CA 1.467 30 residues pruned to eliminate duplicates Z: 35 29.671 2.091 0.412 0.937 0.971 0.941 CA 1.236 35 residues pruned to eliminate duplicates Z: 31 27.971 1.895 0.570 0.885 0.933 0.767 CB 1.328 31 residues pruned to eliminate duplicates Z: 29 25.941 1.808 0.441 0.910 1.000 0.929 CB 1.334 29 residues pruned to eliminate duplicates Z: 31 21.706 1.978 0.276 0.798 0.900 0.833 CA 1.344 31 residues pruned to eliminate duplicates Z: 8 9.232 1.861 0.590 0.886 1.000 0.857 CB 0.851 Z: 30 31.008 1.932 0.554 0.928 1.000 0.828 CB 1.342 30 residues pruned to eliminate duplicates Z: 18 26.792 2.004 0.635 0.937 1.000 0.765 CB 1.380 18 residues pruned to eliminate duplicates Z: 37 32.459 1.774 0.657 0.912 1.000 0.722 CB 1.304 37 residues pruned to eliminate duplicates Z: 15 7.794 1.595 0.624 0.725 0.643 0.357 CB 1.021 Z: 26 26.143 1.798 0.580 0.941 1.000 0.840 CA 1.277 26 residues pruned to eliminate duplicates Z: 26 20.747 1.650 0.424 0.902 0.960 0.840 CB 1.312 26 residues pruned to eliminate duplicates Z: 25 21.549 1.527 0.769 0.924 1.000 0.792 CB 1.144 13 residues pruned to eliminate duplicates Z: 52 37.329 1.988 0.436 0.887 0.980 0.843 CB 1.347 52 residues pruned to eliminate duplicates Z: 25 26.106 1.843 0.411 0.904 0.958 0.875 CB 1.523 25 residues pruned to eliminate duplicates Z: 37 45.125 2.046 0.769 0.944 1.000 0.861 CA 1.440 37 residues pruned to eliminate duplicates Z: 21 16.711 1.837 0.286 0.917 0.950 0.950 CA 1.176 21 residues pruned to eliminate duplicates Z: 32 26.543 1.874 0.459 0.904 1.000 0.839 CB 1.243 32 residues pruned to eliminate duplicates Z: 20 14.957 1.860 0.515 0.479 0.842 0.526 CB 1.476 20 residues pruned to eliminate duplicates Z: 17 28.887 2.111 0.870 0.941 0.938 0.750 CB 1.354 17 residues pruned to eliminate duplicates Z: 32 25.630 2.015 0.130 0.946 1.000 0.903 CB 1.399 32 residues pruned to eliminate duplicates Z: 20 20.817 1.839 0.304 0.927 1.000 0.947 CB 1.395 20 residues pruned to eliminate duplicates Z: 27 19.474 1.756 0.292 0.916 1.000 0.923 CA 1.188 27 residues pruned to eliminate duplicates Z: 37 28.702 1.753 0.853 0.930 0.889 0.667 CB 1.159 37 residues pruned to eliminate duplicates Z: 36 24.557 1.730 0.260 0.916 0.971 0.800 CB 1.385 36 residues pruned to eliminate duplicates Z: 18 16.265 1.775 0.258 0.896 1.000 0.941 CB 1.266 19 residues pruned to eliminate duplicates Z: 28 28.915 1.947 0.551 0.936 0.963 0.963 CA 1.333 27 residues pruned to eliminate duplicates Z: 26 19.377 1.879 0.185 0.922 1.000 0.880 CB 1.224 26 residues pruned to eliminate duplicates Z: 23 30.046 1.894 0.926 0.935 0.955 0.727 CB 1.282 23 residues pruned to eliminate duplicates Z: 24 22.072 1.770 0.649 0.872 0.913 0.609 CA 1.259 25 residues pruned to eliminate duplicates Z: 30 26.138 1.800 0.642 0.852 0.966 0.793 CB 1.258 30 residues pruned to eliminate duplicates Z: 28 18.882 1.680 0.352 0.923 0.963 0.741 CB 1.167 28 residues pruned to eliminate duplicates Z: 26 29.358 1.786 0.776 0.933 0.960 0.760 CA 1.346 26 residues pruned to eliminate duplicates Z: 25 25.071 1.805 0.630 0.931 0.917 0.792 CA 1.326 25 residues pruned to eliminate duplicates Z: 8 3.373 1.467 0.488 0.214 0.714 0.571 C 1.145 Z: 37 35.168 1.998 0.605 0.892 0.944 0.778 CA 1.390 37 residues pruned to eliminate duplicates Z: 8 2.820 1.500 -0.050 0.307 0.857 0.286 N 1.082 8 residues pruned to eliminate duplicates Z: 14 17.219 1.829 0.751 0.913 0.923 0.769 CB 1.144 15 residues pruned to eliminate duplicates Z: 26 25.092 1.800 0.520 0.943 0.960 0.840 CA 1.325 26 residues pruned to eliminate duplicates Z: 29 32.915 1.939 0.613 0.887 1.000 0.714 CA 1.434 30 residues pruned to eliminate duplicates Z: 15 14.366 1.781 0.911 0.881 0.786 0.643 CB 1.039 13 residues pruned to eliminate duplicates Z: 22 21.919 1.713 0.890 0.922 0.905 0.619 CB 1.148 22 residues pruned to eliminate duplicates Z: 28 27.733 1.735 0.751 0.949 0.963 0.815 CA 1.259 28 residues pruned to eliminate duplicates Z: 18 14.095 1.669 0.345 0.919 0.941 0.824 CA 1.141 18 residues pruned to eliminate duplicates Z: 28 43.273 2.201 0.703 0.935 1.000 0.815 CA 1.548 28 residues pruned to eliminate duplicates Z: 12 15.166 1.588 0.538 0.923 1.000 0.818 CB 1.316 11 residues pruned to eliminate duplicates Z: 10 10.003 1.618 0.642 0.882 0.889 0.556 CB 1.022 10 residues pruned to eliminate duplicates Z: 26 24.556 1.984 0.367 0.914 1.000 0.800 CB 1.281 26 residues pruned to eliminate duplicates Z: 13 18.057 1.887 0.580 0.920 1.000 0.917 CA 1.231 13 residues pruned to eliminate duplicates Z: 13 14.952 1.528 0.598 0.876 1.000 0.917 CB 1.285 13 residues pruned to eliminate duplicates Z: 19 19.717 1.703 0.659 0.892 0.944 0.722 CB 1.251 19 residues pruned to eliminate duplicates Z: 11 19.912 1.776 0.840 0.930 1.000 0.900 CA 1.348 11 residues pruned to eliminate duplicates Z: 29 48.518 2.136 1.090 0.932 1.000 0.750 CA 1.433 29 residues pruned to eliminate duplicates Z: 17 21.976 1.841 0.570 0.915 0.938 0.688 CB 1.433 17 residues pruned to eliminate duplicates Z: 21 30.235 1.831 0.919 0.877 1.000 0.700 CA 1.397 21 residues pruned to eliminate duplicates Z: 55 57.610 2.087 1.052 0.792 0.944 0.704 CB 1.500 53 residues pruned to eliminate duplicates Z: 26 29.485 1.820 1.122 0.940 0.960 0.400 CB 1.105 26 residues pruned to eliminate duplicates Z: 20 24.423 1.838 0.706 0.914 1.000 0.842 CB 1.264 20 residues pruned to eliminate duplicates Z: 21 25.617 1.816 0.958 0.868 0.900 0.500 CB 1.308 21 residues pruned to eliminate duplicates Z: 18 13.519 1.610 0.683 0.824 0.824 0.588 CB 1.109 15 residues pruned to eliminate duplicates Z: 12 15.156 1.724 0.670 0.872 0.909 0.818 CB 1.273 12 residues pruned to eliminate duplicates Z: 21 19.133 1.835 0.456 0.880 0.950 0.800 CB 1.221 21 residues pruned to eliminate duplicates Z: 23 18.992 1.654 0.611 0.887 0.909 0.773 CB 1.205 23 residues pruned to eliminate duplicates Z: 21 26.637 1.856 0.689 0.874 1.000 0.800 CB 1.383 21 residues pruned to eliminate duplicates Z: 23 25.387 1.791 0.905 0.892 0.909 0.682 CB 1.253 23 residues pruned to eliminate duplicates Z: 19 24.055 1.856 0.923 0.916 0.944 0.556 CB 1.188 19 residues pruned to eliminate duplicates Z: 6 13.033 1.744 0.883 0.797 1.000 0.800 CB 1.368 6 residues pruned to eliminate duplicates Z: 10 13.513 1.878 0.976 0.913 0.889 0.556 CB 0.966 11 residues pruned to eliminate duplicates Z: 22 24.124 1.826 0.858 0.942 1.000 0.524 CB 1.076 19 residues pruned to eliminate duplicates Z: 6 2.123 1.758 -0.177 0.329 0.600 0.600 CB 1.319 6 residues pruned to eliminate duplicates Z: 35 41.905 2.033 0.947 0.939 0.971 0.618 CB 1.300 35 residues pruned to eliminate duplicates Z: 13 16.756 1.819 0.694 0.875 1.000 1.000 CA 1.142 13 residues pruned to eliminate duplicates Z: 29 22.802 1.764 0.575 0.847 0.964 0.821 CB 1.194 29 residues pruned to eliminate duplicates Z: 20 29.400 1.862 0.843 0.919 1.000 0.579 CB 1.385 21 residues pruned to eliminate duplicates Z: 21 17.949 1.661 0.313 0.883 0.950 0.800 CB 1.400 21 residues pruned to eliminate duplicates Z: 10 11.881 1.652 0.626 0.789 0.889 0.444 CA 1.287 Z: 37 43.091 2.046 0.632 0.931 1.000 0.861 CA 1.502 37 residues pruned to eliminate duplicates Z: 17 19.847 1.776 0.885 0.883 1.000 0.688 CB 1.072 22 residues pruned to eliminate duplicates Z: 19 13.266 1.685 0.293 0.891 0.944 0.833 CA 1.093 19 residues pruned to eliminate duplicates Z: 32 20.969 1.718 0.523 0.886 0.903 0.774 CB 1.150 32 residues pruned to eliminate duplicates Z: 22 25.728 1.815 0.650 0.913 1.000 0.857 CB 1.327 22 residues pruned to eliminate duplicates Z: 28 26.238 1.841 0.850 0.702 0.963 0.630 CB 1.280 27 residues pruned to eliminate duplicates Z: 6 3.336 1.577 0.348 0.454 0.600 0.400 C 1.226 Z: 30 29.671 1.898 0.688 0.895 0.966 0.724 CB 1.277 30 residues pruned to eliminate duplicates Z: 16 13.943 1.509 0.579 0.877 0.933 0.733 CB 1.176 15 residues pruned to eliminate duplicates Z: 14 17.377 1.803 0.707 0.858 0.923 0.692 CA 1.249 14 residues pruned to eliminate duplicates Z: 7 6.895 1.820 1.070 0.884 1.000 1.000 CB 0.540 7 residues pruned to eliminate duplicates Z: 21 22.402 1.889 0.397 0.883 0.950 0.800 CB 1.445 21 residues pruned to eliminate duplicates Z: 25 27.842 1.807 0.749 0.933 0.958 0.833 CA 1.309 25 residues pruned to eliminate duplicates Z: 18 28.542 1.920 0.784 0.940 0.941 0.706 CB 1.491 18 residues pruned to eliminate duplicates Z: 25 20.913 1.796 0.466 0.927 0.917 0.917 CA 1.239 25 residues pruned to eliminate duplicates Z: 51 27.789 1.792 0.470 0.750 0.880 0.800 CB 1.356 51 residues pruned to eliminate duplicates Z: 34 39.041 2.006 1.000 0.946 0.970 0.636 CB 1.208 34 residues pruned to eliminate duplicates Z: 8 5.548 1.477 0.289 0.594 1.000 0.857 CB 1.008 Z: 36 47.840 2.020 0.920 0.903 0.971 0.800 CA 1.529 36 residues pruned to eliminate duplicates Z: 20 22.560 1.840 0.493 0.928 1.000 0.895 CB 1.319 20 residues pruned to eliminate duplicates Z: 21 26.584 1.830 0.851 0.864 0.950 0.700 CB 1.355 21 residues pruned to eliminate duplicates Z: 22 35.484 2.144 1.063 0.951 0.952 0.524 CB 1.267 22 residues pruned to eliminate duplicates Z: 6 3.791 1.532 0.253 0.678 1.000 0.800 CB 0.749 Z: 34 45.328 2.099 0.923 0.956 1.000 0.727 CB 1.343 34 residues pruned to eliminate duplicates Z: 18 22.908 1.961 0.638 0.883 0.941 0.765 CB 1.330 18 residues pruned to eliminate duplicates Z: 21 26.024 1.845 0.762 0.864 0.950 0.550 CB 1.381 21 residues pruned to eliminate duplicates Z: 19 19.794 1.780 0.767 0.901 0.944 0.722 CB 1.121 19 residues pruned to eliminate duplicates Z: 28 51.881 2.217 1.074 0.917 1.000 0.778 CB 1.532 28 residues pruned to eliminate duplicates Z: 27 22.766 1.793 0.491 0.918 0.962 0.846 CA 1.225 26 residues pruned to eliminate duplicates Z: 28 33.396 1.858 1.066 0.941 1.000 0.778 CB 1.162 28 residues pruned to eliminate duplicates Z: 22 24.711 1.800 0.879 0.918 0.905 0.619 CB 1.243 22 residues pruned to eliminate duplicates Z: 28 30.499 1.819 0.577 0.921 1.000 0.815 CB 1.440 28 residues pruned to eliminate duplicates Z: 30 32.945 1.932 0.863 0.947 1.000 0.828 CB 1.175 30 residues pruned to eliminate duplicates Z: 22 21.365 1.798 0.768 0.715 0.952 0.667 CB 1.267 22 residues pruned to eliminate duplicates Z: 28 18.166 1.513 0.572 0.870 0.926 0.815 CB 1.159 18 residues pruned to eliminate duplicates Z: 15 14.712 1.923 0.304 0.813 1.000 0.929 CA 1.195 15 residues pruned to eliminate duplicates Z: 27 26.318 1.771 0.684 0.933 0.923 0.846 CA 1.308 27 residues pruned to eliminate duplicates Z: 36 39.023 2.049 0.657 0.930 1.000 0.857 CA 1.358 36 residues pruned to eliminate duplicates Z: 24 22.306 1.717 0.738 0.874 0.913 0.826 CA 1.242 24 residues pruned to eliminate duplicates Z: 37 47.969 2.028 0.927 0.906 0.972 0.694 CA 1.497 37 residues pruned to eliminate duplicates Z: 37 46.700 2.057 0.762 0.928 1.000 0.806 CA 1.504 37 residues pruned to eliminate duplicates Z: 36 29.721 2.074 0.298 0.949 1.000 0.943 CA 1.287 36 residues pruned to eliminate duplicates Z: 22 29.570 1.960 0.912 0.848 0.905 0.714 CA 1.411 22 residues pruned to eliminate duplicates Z: 29 27.570 1.836 0.608 0.909 0.964 0.536 CB 1.299 29 residues pruned to eliminate duplicates Z: 22 20.276 1.586 0.520 0.917 0.952 0.952 CB 1.360 22 residues pruned to eliminate duplicates Z: 7 10.605 1.554 0.926 0.831 1.000 0.667 CB 1.087 7 residues pruned to eliminate duplicates Z: 14 21.018 1.876 0.539 0.915 1.000 0.923 CB 1.427 14 residues pruned to eliminate duplicates Z: 21 23.816 1.824 0.782 0.888 0.850 0.600 CB 1.389 21 residues pruned to eliminate duplicates Z: 37 40.309 2.040 0.612 0.920 1.000 0.861 CA 1.439 37 residues pruned to eliminate duplicates Z: 21 20.983 1.775 0.692 0.930 0.950 0.800 CB 1.150 21 residues pruned to eliminate duplicates Z: 7 4.187 1.610 0.162 0.250 1.000 0.333 CB 1.218 Z: 21 25.225 1.807 0.755 0.885 1.000 0.550 CB 1.285 21 residues pruned to eliminate duplicates Z: 34 32.481 1.973 0.659 0.954 1.000 0.697 CB 1.188 34 residues pruned to eliminate duplicates Z: 27 25.194 1.661 0.650 0.904 1.000 0.885 CB 1.284 27 residues pruned to eliminate duplicates Z: 35 34.159 2.020 0.747 0.942 0.941 0.706 CB 1.223 35 residues pruned to eliminate duplicates Z: 7 7.993 1.512 0.402 0.721 1.000 0.667 CA 1.260 7 residues pruned to eliminate duplicates Z: 16 20.638 1.812 1.032 0.860 1.000 0.600 CB 1.064 17 residues pruned to eliminate duplicates Z: 25 26.555 1.778 0.694 0.945 0.958 0.583 CB 1.300 25 residues pruned to eliminate duplicates Z: 26 24.781 1.851 0.496 0.901 0.920 0.800 CB 1.389 26 residues pruned to eliminate duplicates Z: 13 11.328 1.523 0.392 0.898 1.000 0.917 CB 1.103 13 residues pruned to eliminate duplicates Z: 63 53.207 2.077 0.706 0.800 0.968 0.613 CB 1.517 63 residues pruned to eliminate duplicates Z: 21 23.087 1.722 0.939 0.942 1.000 0.600 CB 1.072 20 residues pruned to eliminate duplicates Z: 7 8.950 1.872 0.486 0.768 0.833 0.667 CA 1.242 7 residues pruned to eliminate duplicates Z: 26 42.057 2.105 0.999 0.917 0.960 0.680 CB 1.469 26 residues pruned to eliminate duplicates Z: 59 45.351 1.892 0.724 0.885 0.948 0.810 CA 1.390 121 residues pruned to eliminate duplicates Z: 14 15.729 1.782 0.687 0.907 1.000 0.615 CB 1.032 14 residues pruned to eliminate duplicates Z: 8 13.090 1.654 0.542 0.867 1.000 0.857 N 1.419 8 residues pruned to eliminate duplicates Z: 8 2.829 1.492 -0.089 0.510 0.857 0.286 CB 0.908 Z: 9 9.971 1.461 0.633 0.868 1.000 0.750 CB 1.080 9 residues pruned to eliminate duplicates Z: 39 42.937 1.990 0.684 0.935 1.000 0.868 CA 1.448 39 residues pruned to eliminate duplicates Z: 37 43.177 2.058 0.723 0.906 1.000 0.833 CA 1.443 37 residues pruned to eliminate duplicates Z: 25 17.186 1.536 0.490 0.889 0.958 0.792 CB 1.152 25 residues pruned to eliminate duplicates Z: 10 8.304 1.480 0.271 0.792 0.889 0.778 CB 1.281 10 residues pruned to eliminate duplicates Z: 6 4.856 1.517 0.316 0.542 1.000 0.800 O 1.044 Z: 35 43.740 2.083 0.833 0.949 0.971 0.794 CA 1.397 35 residues pruned to eliminate duplicates Z: 19 32.943 1.789 1.164 0.908 1.000 0.500 CA 1.425 19 residues pruned to eliminate duplicates Z: 7 3.690 1.422 0.974 0.388 0.833 0.333 CB 0.726 6 1.468 1.354 0.266 0.298 0.800 0.600 CB 0.600 ? Z: 20 24.241 1.861 0.723 0.941 1.000 0.789 CB 1.203 20 residues pruned to eliminate duplicates Z: 21 22.054 1.802 0.543 0.891 0.950 0.700 CB 1.341 21 residues pruned to eliminate duplicates Z: 36 44.547 2.057 0.747 0.931 1.000 0.714 CA 1.464 36 residues pruned to eliminate duplicates Z: 17 13.095 1.527 0.485 0.791 0.938 0.688 CB 1.193 17 residues pruned to eliminate duplicates Z: 26 20.867 1.658 0.341 0.901 1.000 0.880 CB 1.340 Z: 23 17.318 1.715 0.394 0.809 0.955 0.591 CA 1.236 23 residues pruned to eliminate duplicates Z: 21 18.916 1.777 0.844 0.909 0.900 0.500 CB 1.019 6 0.916 1.561 0.105 0.821 1.000 0.600 CB 0.180 ? Z: 23 17.832 1.790 0.352 0.914 0.955 0.864 CA 1.163 23 residues pruned to eliminate duplicates Z: 21 25.052 1.827 0.688 0.865 1.000 0.800 CA 1.331 21 residues pruned to eliminate duplicates Z: 7 8.133 1.398 0.685 0.693 1.000 0.500 O 1.181 8 residues pruned to eliminate duplicates Z: 23 36.697 2.167 0.908 0.949 1.000 0.591 CB 1.306 23 residues pruned to eliminate duplicates Z: 8 4.459 1.513 0.448 0.750 0.857 0.714 CB 0.718 Z: 30 26.921 1.887 0.628 0.943 1.000 0.793 CB 1.128 30 residues pruned to eliminate duplicates Z: 6 5.121 1.632 0.495 0.476 0.800 0.800 N 1.203 Z: 10 11.767 1.514 0.764 0.865 1.000 0.778 CA 1.076 10 residues pruned to eliminate duplicates Z: 6 2.958 1.388 0.871 0.289 0.600 0.400 N 1.076 Z: 24 24.970 1.914 0.922 0.932 1.000 0.652 CB 0.988 24 residues pruned to eliminate duplicates Z: 19 15.488 1.529 0.694 0.929 0.889 0.778 CB 1.110 19 residues pruned to eliminate duplicates Z: 19 25.540 1.843 0.755 0.899 1.000 0.833 CA 1.330 19 residues pruned to eliminate duplicates Z: 17 19.691 1.998 0.853 0.696 0.875 0.750 CB 1.271 17 residues pruned to eliminate duplicates Z: 17 17.636 1.660 0.891 0.869 0.812 0.500 CB 1.263 17 residues pruned to eliminate duplicates Z: 12 6.548 1.476 0.515 0.757 0.727 0.545 CB 0.966 12 residues pruned to eliminate duplicates Z: 10 10.856 1.469 0.456 0.862 1.000 0.889 CA 1.242 Z: 17 21.496 1.874 0.766 0.775 0.938 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 17 13.611 1.617 0.854 0.623 0.750 0.500 N 1.348 17 residues pruned to eliminate duplicates Z: 6 2.249 1.640 0.036 0.846 0.600 0.400 CB 0.733 6 residues pruned to eliminate duplicates Z: 10 11.603 1.509 0.644 0.844 0.889 0.667 N 1.306 10 residues pruned to eliminate duplicates Z: 6 4.534 1.564 0.408 0.489 0.800 0.400 CB 1.164 Z: 23 31.081 1.898 0.781 0.933 1.000 0.818 CB 1.368 23 residues pruned to eliminate duplicates Z: 41 33.236 1.827 0.819 0.790 0.975 0.425 CB 1.257 41 residues pruned to eliminate duplicates Z: 6 2.560 1.168 0.459 0.542 1.000 0.800 C 0.645 Z: 11 9.923 1.362 1.037 0.926 0.900 0.400 CB 0.881 11 residues pruned to eliminate duplicates Z: 10 11.357 1.557 0.427 0.767 1.000 0.556 O 1.345 10 residues pruned to eliminate duplicates Z: 38 38.995 1.997 0.591 0.926 1.000 0.865 CA 1.416 38 residues pruned to eliminate duplicates Z: 17 21.200 1.779 0.770 0.716 0.938 0.625 CB 1.476 17 residues pruned to eliminate duplicates Z: 26 33.046 2.158 0.500 0.934 0.960 0.840 CA 1.484 26 residues pruned to eliminate duplicates Z: 17 22.276 1.873 0.578 0.878 1.000 0.875 CA 1.368 17 residues pruned to eliminate duplicates Z: 15 20.759 2.051 0.759 0.640 0.929 0.714 CB 1.453 15 residues pruned to eliminate duplicates Z: 25 35.832 2.108 1.041 0.945 0.958 0.625 CB 1.228 25 residues pruned to eliminate duplicates Z: 72 49.568 2.075 0.600 0.748 0.958 0.732 CA 1.482 74 residues pruned to eliminate duplicates Z: 10 11.231 1.749 0.341 0.778 1.000 0.667 CA 1.249 10 residues pruned to eliminate duplicates Z: 24 28.755 1.781 0.874 0.915 1.000 0.652 CB 1.270 23 residues pruned to eliminate duplicates Z: 18 22.480 1.788 0.788 0.934 0.941 0.765 CB 1.264 Z: 12 11.465 1.509 0.313 0.912 1.000 1.000 CB 1.236 12 residues pruned to eliminate duplicates Z: 37 25.192 1.696 0.372 0.888 1.000 0.861 CB 1.300 37 residues pruned to eliminate duplicates Z: 15 12.777 1.677 0.191 0.824 1.000 0.643 CB 1.292 15 residues pruned to eliminate duplicates Z: 35 34.286 2.030 0.537 0.955 1.000 0.882 CB 1.295 35 residues pruned to eliminate duplicates Z: 6 4.099 1.296 0.744 0.684 0.800 0.400 N 0.856 Z: 6 4.305 1.563 0.447 0.631 0.800 0.600 CB 0.941 Z: 9 9.414 1.464 0.599 0.817 0.875 0.625 N 1.234 8 residues pruned to eliminate duplicates Z: 16 25.617 1.922 0.940 0.906 0.933 0.667 CB 1.352 16 residues pruned to eliminate duplicates Z: 21 15.752 1.564 0.590 0.940 1.000 0.700 CB 0.983 21 residues pruned to eliminate duplicates Z: 14 14.958 1.785 0.801 0.940 0.923 0.769 CB 0.972 14 residues pruned to eliminate duplicates Z: 66 43.819 1.916 0.720 0.873 0.969 0.631 CB 1.240 66 residues pruned to eliminate duplicates Z: 28 33.965 1.853 0.763 0.932 1.000 0.741 CB 1.397 28 residues pruned to eliminate duplicates Z: 20 20.593 1.837 0.462 0.919 0.947 0.895 CB 1.308 20 residues pruned to eliminate duplicates Z: 7 3.811 1.012 0.777 0.602 1.000 0.500 N 0.785 Z: 7 4.780 1.595 0.186 0.503 0.833 0.500 CA 1.234 7 residues pruned to eliminate duplicates Z: 19 24.657 1.779 0.735 0.907 1.000 0.833 CB 1.338 19 residues pruned to eliminate duplicates Z: 29 32.023 1.845 0.830 0.914 1.000 0.714 CB 1.267 29 residues pruned to eliminate duplicates Z: 32 28.834 1.871 0.885 0.895 0.903 0.613 CB 1.165 31 residues pruned to eliminate duplicates Z: 20 21.839 1.731 0.745 0.896 0.947 0.684 CB 1.254 20 residues pruned to eliminate duplicates Z: 27 18.634 1.590 0.292 0.927 1.000 0.885 CB 1.246 27 residues pruned to eliminate duplicates Z: 65 63.849 2.055 0.872 0.850 0.984 0.688 CB 1.561 65 residues pruned to eliminate duplicates Z: 32 25.639 1.734 0.566 0.908 0.935 0.581 CB 1.287 32 residues pruned to eliminate duplicates Z: 6 4.925 1.713 0.164 0.625 0.800 0.600 CA 1.227 6 residues pruned to eliminate duplicates Z: 25 16.382 1.472 0.563 0.834 0.875 0.667 CB 1.245 25 residues pruned to eliminate duplicates 6 1.865 1.280 0.148 0.444 0.800 0.400 CA 0.752 ? Z: 16 12.327 1.537 0.323 0.874 0.933 0.667 CB 1.220 16 residues pruned to eliminate duplicates Z: 36 29.472 1.982 0.475 0.926 0.971 0.857 CA 1.230 36 residues pruned to eliminate duplicates Z: 8 3.872 1.448 0.587 0.673 0.714 0.571 CB 0.760 Z: 16 10.866 1.716 0.835 0.837 0.800 0.533 CB 0.833 16 residues pruned to eliminate duplicates Z: 7 5.464 1.468 0.154 0.754 0.833 0.833 CB 1.260 7 residues pruned to eliminate duplicates Z: 25 26.507 1.795 0.594 0.932 1.000 0.750 CA 1.320 25 residues pruned to eliminate duplicates Z: 9 2.893 1.355 0.122 0.388 0.750 0.500 CB 1.009 Z: 7 3.491 1.297 0.593 0.194 1.000 0.333 N 0.994 Z: 36 32.910 1.972 0.418 0.908 0.943 0.914 CA 1.498 36 residues pruned to eliminate duplicates Z: 11 8.715 1.349 0.380 0.859 1.000 0.700 CA 1.089 11 residues pruned to eliminate duplicates Z: 33 19.701 1.783 0.661 0.726 0.938 0.438 CB 1.024 45 residues pruned to eliminate duplicates Z: 10 2.620 1.387 0.056 0.204 0.889 0.333 CB 0.954 Z: 6 3.051 1.475 0.311 0.282 0.800 0.400 N 1.129 Z: 6 2.612 1.338 0.246 0.565 0.600 0.400 CB 1.096 6 residues pruned to eliminate duplicates Z: 8 3.005 1.474 0.842 0.229 0.571 0.286 CB 1.004 Z: 6 4.878 1.430 0.874 0.349 0.800 0.600 N 1.198 Z: 6 8.332 1.586 0.502 0.880 1.000 0.800 CA 1.134 6 residues pruned to eliminate duplicates Z: 30 27.356 1.935 0.412 0.938 0.966 0.931 CB 1.340 30 residues pruned to eliminate duplicates Z: 23 32.972 2.049 1.045 0.740 0.864 0.727 CB 1.566 23 residues pruned to eliminate duplicates Z: 7 3.182 1.453 0.204 0.483 0.833 0.333 CB 0.906 Z: 32 22.933 1.693 0.553 0.924 0.903 0.774 CA 1.218 34 residues pruned to eliminate duplicates Z: 27 19.225 1.610 0.527 0.865 0.962 0.692 CB 1.168 27 residues pruned to eliminate duplicates Z: 31 33.164 1.907 0.689 0.902 1.000 0.833 CB 1.341 31 residues pruned to eliminate duplicates Z: 24 21.448 1.797 0.459 0.922 0.957 0.870 CA 1.255 24 residues pruned to eliminate duplicates Z: 9 11.104 1.868 0.541 0.707 1.000 0.875 CB 1.130 9 residues pruned to eliminate duplicates Z: 30 29.656 1.901 0.781 0.921 0.966 0.724 CB 1.186 30 residues pruned to eliminate duplicates Z: 27 24.387 1.980 0.375 0.863 1.000 0.885 CB 1.289 27 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.619 1.371 1.095 0.606 0.833 0.333 CB 0.712 Z: 7 3.074 1.558 0.129 0.652 0.833 0.667 CB 0.744 Z: 8 5.366 1.406 0.535 0.721 0.857 0.714 CB 0.898 6 residues pruned to eliminate duplicates Z: 7 3.825 1.604 0.248 0.738 1.000 0.667 CB 0.630 7 residues pruned to eliminate duplicates Z: 7 3.377 1.512 0.569 0.786 1.000 0.833 CB 0.452 7 residues pruned to eliminate duplicates Z: 24 24.534 1.850 0.509 0.844 1.000 0.783 CB 1.363 24 residues pruned to eliminate duplicates Z: 34 18.219 1.696 0.401 0.668 0.909 0.667 CB 1.256 34 residues pruned to eliminate duplicates Z: 23 32.643 1.922 0.710 0.932 1.000 0.909 CB 1.479 23 residues pruned to eliminate duplicates Z: 25 31.774 1.914 0.739 0.940 1.000 0.958 CB 1.353 25 residues pruned to eliminate duplicates Z: 24 26.604 1.873 0.542 0.913 0.957 0.870 CB 1.421 24 residues pruned to eliminate duplicates Z: 28 29.799 1.818 0.747 0.926 0.963 0.815 CB 1.314 28 residues pruned to eliminate duplicates Z: 23 28.014 1.907 0.586 0.927 1.000 0.909 CB 1.384 23 residues pruned to eliminate duplicates Z: 93 38.537 1.771 0.751 0.717 0.870 0.576 CB 1.225 93 residues pruned to eliminate duplicates Z: 23 30.604 1.908 0.796 0.923 1.000 0.727 CB 1.337 23 residues pruned to eliminate duplicates Z: 30 22.544 1.794 0.652 0.744 0.862 0.655 CB 1.317 30 residues pruned to eliminate duplicates Z: 25 27.044 1.840 0.777 0.883 0.958 0.750 CB 1.274 25 residues pruned to eliminate duplicates Z: 22 26.032 1.843 0.867 0.906 0.905 0.571 CB 1.298 22 residues pruned to eliminate duplicates Z: 20 28.275 1.916 0.794 0.831 1.000 0.526 CB 1.418 20 residues pruned to eliminate duplicates Z: 23 27.452 1.854 0.845 0.878 0.955 0.500 CB 1.301 23 residues pruned to eliminate duplicates Z: 27 28.846 1.832 0.865 0.834 0.962 0.731 CB 1.290 27 residues pruned to eliminate duplicates Z: 30 24.202 1.748 0.802 0.718 0.931 0.586 CB 1.258 30 residues pruned to eliminate duplicates Z: 24 30.920 1.902 0.892 0.899 0.957 0.565 CB 1.338 24 residues pruned to eliminate duplicates Z: 33 25.866 1.739 0.733 0.741 0.969 0.594 CB 1.261 33 residues pruned to eliminate duplicates Z: 29 30.576 1.824 0.871 0.888 1.000 0.714 CB 1.220 29 residues pruned to eliminate duplicates Z: 26 31.731 1.873 0.971 0.914 0.960 0.720 CB 1.266 26 residues pruned to eliminate duplicates Z: 28 28.079 1.837 0.795 0.836 0.963 0.704 CB 1.274 28 residues pruned to eliminate duplicates Z: 26 33.514 1.852 1.033 0.901 1.000 0.800 CB 1.270 26 residues pruned to eliminate duplicates Z: 29 31.629 1.846 0.816 0.862 0.964 0.857 CB 1.357 29 residues pruned to eliminate duplicates Z: 27 32.926 1.886 0.918 0.920 0.962 0.731 CB 1.307 27 residues pruned to eliminate duplicates Z: 9 5.166 1.518 0.584 0.632 0.750 0.375 CB 0.895 9 residues pruned to eliminate duplicates Z: 36 25.343 1.745 0.753 0.750 0.914 0.600 CB 1.226 36 residues pruned to eliminate duplicates Z: 41 33.023 1.894 0.592 0.843 1.000 0.750 CB 1.290 41 residues pruned to eliminate duplicates Z: 30 27.664 1.888 0.643 0.750 0.966 0.724 CB 1.372 30 residues pruned to eliminate duplicates Z: 32 25.100 1.826 0.689 0.721 0.903 0.710 CA 1.326 32 residues pruned to eliminate duplicates Z: 24 21.060 1.819 0.692 0.773 0.913 0.696 CA 1.228 25 residues pruned to eliminate duplicates Z: 23 26.680 1.824 0.811 0.904 1.000 0.773 CB 1.227 23 residues pruned to eliminate duplicates Z: 40 28.255 1.833 0.610 0.742 0.923 0.641 CA 1.338 40 residues pruned to eliminate duplicates Z: 34 27.467 1.882 0.773 0.734 0.909 0.697 CB 1.277 34 residues pruned to eliminate duplicates Z: 37 27.011 1.891 0.528 0.775 0.944 0.694 CB 1.294 37 residues pruned to eliminate duplicates Z: 30 26.336 1.914 0.598 0.749 0.931 0.655 CB 1.375 30 residues pruned to eliminate duplicates Z: 38 33.268 1.911 0.588 0.851 0.946 0.703 CA 1.410 38 residues pruned to eliminate duplicates Z: 34 28.148 1.864 0.605 0.747 0.970 0.727 CB 1.355 34 residues pruned to eliminate duplicates Z: 30 26.547 1.893 0.685 0.791 0.931 0.552 CB 1.286 30 residues pruned to eliminate duplicates Z: 27 24.045 1.912 0.534 0.743 0.962 0.692 CB 1.345 27 residues pruned to eliminate duplicates Z: 36 31.000 1.879 0.721 0.797 0.943 0.714 CA 1.325 36 residues pruned to eliminate duplicates Z: 54 31.529 1.812 0.720 0.719 0.868 0.491 CB 1.313 76 residues pruned to eliminate duplicates Z: 25 23.089 1.752 0.767 0.908 0.917 0.542 CA 1.179 25 residues pruned to eliminate duplicates Z: 31 25.986 1.884 0.696 0.745 0.967 0.633 CB 1.233 31 residues pruned to eliminate duplicates Z: 30 28.647 1.918 0.707 0.766 0.966 0.793 CB 1.329 30 residues pruned to eliminate duplicates Z: 15 14.239 1.929 0.829 0.678 0.786 0.500 CB 1.165 15 residues pruned to eliminate duplicates Z: 33 31.283 1.894 0.731 0.754 0.969 0.625 CA 1.389 33 residues pruned to eliminate duplicates Z: 18 16.719 1.845 0.548 0.612 0.882 0.529 CA 1.447 18 residues pruned to eliminate duplicates Z: 44 31.828 1.858 0.618 0.745 0.930 0.698 CA 1.394 44 residues pruned to eliminate duplicates Z: 40 26.986 1.917 0.530 0.695 0.923 0.667 CA 1.336 40 residues pruned to eliminate duplicates Z: 39 34.795 1.896 0.661 0.840 0.947 0.684 CA 1.411 39 residues pruned to eliminate duplicates Z: 41 35.575 1.844 0.759 0.798 0.950 0.600 CB 1.406 41 residues pruned to eliminate duplicates Z: 39 39.881 1.915 0.762 0.840 1.000 0.605 CB 1.431 39 residues pruned to eliminate duplicates Z: 31 26.680 1.866 0.765 0.704 0.967 0.500 CB 1.271 31 residues pruned to eliminate duplicates Z: 27 25.357 1.882 0.688 0.744 0.885 0.462 CB 1.422 27 residues pruned to eliminate duplicates Z: 18 30.118 1.934 0.862 0.879 1.000 0.706 CB 1.471 18 residues pruned to eliminate duplicates Z: 41 42.171 1.911 0.912 0.848 1.000 0.650 CB 1.354 41 residues pruned to eliminate duplicates Z: 25 25.241 1.795 0.984 0.783 0.917 0.542 CB 1.230 25 residues pruned to eliminate duplicates Z: 13 18.825 1.836 0.844 0.842 0.917 0.833 CB 1.305 13 residues pruned to eliminate duplicates Z: 19 16.769 1.730 0.703 0.611 0.889 0.389 CB 1.358 19 residues pruned to eliminate duplicates Z: 41 38.988 1.923 0.842 0.842 0.975 0.650 CB 1.330 41 residues pruned to eliminate duplicates Z: 20 18.619 1.741 0.758 0.755 0.947 0.632 CB 1.174 20 residues pruned to eliminate duplicates Z: 35 24.449 1.829 0.922 0.700 0.882 0.618 CB 1.127 35 residues pruned to eliminate duplicates Z: 21 26.678 1.809 0.976 0.911 1.000 0.700 CB 1.183 20 residues pruned to eliminate duplicates Z: 17 20.093 1.793 0.886 0.867 1.000 0.562 CB 1.086 17 residues pruned to eliminate duplicates Z: 27 18.732 1.778 0.812 0.746 0.846 0.538 CB 1.082 27 residues pruned to eliminate duplicates Z: 23 27.303 1.817 0.909 0.892 0.955 0.636 CB 1.263 23 residues pruned to eliminate duplicates Z: 9 9.235 1.673 0.605 0.763 0.875 0.750 CA 1.100 9 residues pruned to eliminate duplicates Z: 9 10.731 1.711 0.606 0.791 0.875 0.500 CB 1.223 9 residues pruned to eliminate duplicates Z: 28 16.785 1.699 0.767 0.523 0.815 0.519 N 1.291 28 residues pruned to eliminate duplicates Z: 10 12.549 1.643 0.607 0.781 1.000 0.889 CB 1.237 10 residues pruned to eliminate duplicates Z: 7 10.022 1.696 0.780 0.818 0.833 0.333 CB 1.235 7 residues pruned to eliminate duplicates Z: 10 10.963 1.659 0.629 0.768 0.889 0.667 CB 1.200 10 residues pruned to eliminate duplicates Z: 6 7.409 1.701 0.300 0.797 0.800 0.000 CB 1.444 6 residues pruned to eliminate duplicates Z: 8 7.193 1.582 0.378 0.586 0.857 0.000 CB 1.339 8 residues pruned to eliminate duplicates Z: 6 7.450 1.627 0.418 0.807 0.800 0.200 CB 1.381 6 residues pruned to eliminate duplicates Z: 21 13.714 1.651 0.172 0.821 0.900 0.600 CB 1.334 21 residues pruned to eliminate duplicates Z: 10 10.982 1.499 0.560 0.834 1.000 0.556 N 1.174 10 residues pruned to eliminate duplicates Z: 24 18.656 1.673 0.694 0.801 0.870 0.609 CB 1.213 24 residues pruned to eliminate duplicates Z: 29 20.283 1.669 0.285 0.904 1.000 0.893 CB 1.273 29 residues pruned to eliminate duplicates Z: 28 18.224 1.687 0.337 0.792 0.889 0.519 CB 1.354 28 residues pruned to eliminate duplicates Z: 22 17.867 1.620 0.620 0.803 0.810 0.476 N 1.409 22 residues pruned to eliminate duplicates Z: 19 12.384 1.646 0.698 0.594 0.778 0.444 CB 1.227 19 residues pruned to eliminate duplicates Z: 22 16.456 1.699 0.543 0.868 0.714 0.476 N 1.401 22 residues pruned to eliminate duplicates Z: 24 17.693 1.673 0.289 0.855 0.913 0.652 CB 1.383 24 residues pruned to eliminate duplicates Z: 15 16.268 1.735 0.447 0.766 0.929 0.643 N 1.473 15 residues pruned to eliminate duplicates Z: 15 14.762 1.567 0.582 0.715 0.929 0.643 O 1.410 15 residues pruned to eliminate duplicates Z: 20 11.115 1.635 0.303 0.609 0.789 0.421 CB 1.367 20 residues pruned to eliminate duplicates Z: 20 17.002 1.760 0.656 0.747 0.895 0.579 CB 1.200 20 residues pruned to eliminate duplicates Z: 14 17.015 1.755 0.738 0.744 0.846 0.462 CB 1.471 14 residues pruned to eliminate duplicates Z: 51 38.697 1.978 0.544 0.851 1.000 0.780 CB 1.326 51 residues pruned to eliminate duplicates Z: 20 21.415 1.820 0.638 0.812 1.000 0.632 CB 1.256 20 residues pruned to eliminate duplicates Z: 28 21.415 1.763 0.592 0.868 0.852 0.519 CB 1.260 28 residues pruned to eliminate duplicates Z: 22 17.440 1.756 0.592 0.723 0.857 0.524 CB 1.298 22 residues pruned to eliminate duplicates Z: 60 40.188 1.974 0.512 0.833 0.983 0.797 CB 1.338 60 residues pruned to eliminate duplicates Z: 52 36.476 1.968 0.597 0.811 0.941 0.706 CB 1.317 52 residues pruned to eliminate duplicates Z: 58 34.629 1.909 0.578 0.751 0.947 0.649 CB 1.286 58 residues pruned to eliminate duplicates Z: 25 20.851 1.816 0.772 0.766 0.875 0.375 CB 1.194 25 residues pruned to eliminate duplicates Z: 26 20.670 1.781 0.775 0.751 0.920 0.560 CB 1.136 26 residues pruned to eliminate duplicates Z: 32 24.422 1.751 0.735 0.840 0.968 0.484 CB 1.114 32 residues pruned to eliminate duplicates Z: 49 43.923 2.020 0.633 0.864 1.000 0.792 CB 1.410 49 residues pruned to eliminate duplicates Z: 23 26.947 2.061 0.422 0.722 1.000 0.773 CB 1.604 23 residues pruned to eliminate duplicates Z: 59 41.535 1.969 0.506 0.856 1.000 0.810 CB 1.356 59 residues pruned to eliminate duplicates Z: 45 37.825 1.995 0.519 0.835 0.955 0.773 CB 1.476 45 residues pruned to eliminate duplicates Z: 57 36.741 1.925 0.487 0.782 0.982 0.696 CB 1.362 57 residues pruned to eliminate duplicates Z: 35 24.755 2.011 0.171 0.797 0.971 0.853 CA 1.432 35 residues pruned to eliminate duplicates Z: 56 40.109 2.002 0.487 0.856 0.945 0.745 CB 1.417 56 residues pruned to eliminate duplicates Z: 61 41.285 1.974 0.525 0.869 0.967 0.817 CB 1.337 61 residues pruned to eliminate duplicates Z: 51 35.900 1.948 0.539 0.786 0.980 0.740 CB 1.344 51 residues pruned to eliminate duplicates Z: 55 37.356 1.965 0.517 0.846 0.944 0.574 CB 1.342 55 residues pruned to eliminate duplicates Z: 58 39.735 1.967 0.456 0.863 0.982 0.825 CB 1.373 58 residues pruned to eliminate duplicates Z: 32 26.370 2.031 0.574 0.688 0.903 0.677 CB 1.381 32 residues pruned to eliminate duplicates Z: 32 29.536 2.059 0.402 0.796 0.968 0.774 CB 1.465 32 residues pruned to eliminate duplicates Z: 36 32.126 2.057 0.465 0.808 0.971 0.829 CB 1.418 36 residues pruned to eliminate duplicates Z: 54 38.323 1.953 0.565 0.807 0.981 0.660 CB 1.344 54 residues pruned to eliminate duplicates Z: 60 38.272 1.953 0.550 0.801 0.932 0.678 CB 1.358 60 residues pruned to eliminate duplicates Z: 56 30.919 1.887 0.568 0.771 0.891 0.527 CB 1.245 56 residues pruned to eliminate duplicates Z: 42 31.993 2.040 0.565 0.785 0.927 0.732 CB 1.314 42 residues pruned to eliminate duplicates Z: 40 32.025 2.039 0.490 0.857 0.974 0.718 CB 1.277 40 residues pruned to eliminate duplicates Z: 40 37.323 2.029 0.613 0.836 1.000 0.692 CB 1.367 40 residues pruned to eliminate duplicates Z: 44 33.990 2.005 0.542 0.822 0.953 0.558 CB 1.331 44 residues pruned to eliminate duplicates Z: 53 38.921 1.978 0.673 0.825 0.962 0.673 CB 1.280 53 residues pruned to eliminate duplicates Z: 58 42.124 1.958 0.694 0.817 0.965 0.614 CB 1.324 58 residues pruned to eliminate duplicates Z: 42 35.256 2.038 0.689 0.798 0.951 0.585 CB 1.295 42 residues pruned to eliminate duplicates Z: 59 40.076 1.960 0.752 0.815 0.931 0.621 CB 1.251 59 residues pruned to eliminate duplicates Z: 62 43.618 1.948 0.784 0.785 0.984 0.623 CB 1.272 62 residues pruned to eliminate duplicates Z: 62 42.555 1.890 0.839 0.764 0.951 0.492 CB 1.305 62 residues pruned to eliminate duplicates Z: 13 12.074 1.862 0.872 0.755 0.917 0.667 CB 0.870 13 residues pruned to eliminate duplicates Z: 19 24.859 1.966 0.721 0.934 1.000 0.833 CB 1.207 19 residues pruned to eliminate duplicates Z: 70 45.312 1.886 0.729 0.839 0.957 0.464 CB 1.306 70 residues pruned to eliminate duplicates Z: 65 48.240 1.966 0.786 0.862 0.969 0.703 CB 1.301 65 residues pruned to eliminate duplicates Z: 47 40.154 2.007 0.852 0.808 0.935 0.739 CB 1.303 47 residues pruned to eliminate duplicates Z: 44 34.577 2.008 0.747 0.749 0.930 0.558 CB 1.293 44 residues pruned to eliminate duplicates Z: 20 24.913 1.998 0.726 0.888 1.000 0.737 CB 1.194 20 residues pruned to eliminate duplicates Z: 46 39.933 1.995 0.855 0.818 0.978 0.533 CB 1.248 46 residues pruned to eliminate duplicates Z: 63 41.824 1.928 0.824 0.797 0.919 0.548 CB 1.266 63 residues pruned to eliminate duplicates Z: 20 21.337 1.890 0.752 0.896 0.947 0.737 CB 1.118 20 residues pruned to eliminate duplicates Z: 61 44.499 1.976 0.727 0.825 0.967 0.633 CB 1.315 61 residues pruned to eliminate duplicates Z: 63 39.842 1.907 0.774 0.789 0.952 0.532 CB 1.219 63 residues pruned to eliminate duplicates Z: 64 49.378 1.955 0.784 0.873 0.984 0.651 CB 1.320 64 residues pruned to eliminate duplicates Z: 63 46.685 1.924 0.869 0.878 0.952 0.581 CB 1.257 63 residues pruned to eliminate duplicates Z: 60 50.115 1.985 0.865 0.888 0.966 0.576 CB 1.315 60 residues pruned to eliminate duplicates Z: 68 51.126 2.078 0.646 0.815 0.955 0.776 CA 1.453 68 residues pruned to eliminate duplicates Z: 58 43.748 2.073 0.510 0.835 0.982 0.825 CA 1.411 58 residues pruned to eliminate duplicates Z: 57 42.554 2.099 0.390 0.878 1.000 0.839 CA 1.414 57 residues pruned to eliminate duplicates Z: 57 43.203 2.024 0.511 0.863 0.982 0.804 CA 1.410 55 residues pruned to eliminate duplicates Z: 37 32.880 2.000 0.493 0.890 0.972 0.806 CA 1.358 37 residues pruned to eliminate duplicates Z: 120 73.927 2.133 0.641 0.830 0.975 0.815 CA 1.494 120 residues pruned to eliminate duplicates Z: 44 37.106 1.993 0.542 0.846 0.977 0.791 CA 1.401 44 residues pruned to eliminate duplicates Z: 56 45.314 2.047 0.599 0.856 0.982 0.764 CA 1.402 56 residues pruned to eliminate duplicates Z: 64 40.696 1.981 0.654 0.746 0.905 0.698 CA 1.388 64 residues pruned to eliminate duplicates Z: 30 32.176 2.002 0.654 0.910 1.000 0.828 CA 1.281 30 residues pruned to eliminate duplicates Z: 55 55.254 2.093 0.749 0.894 1.000 0.815 CA 1.474 55 residues pruned to eliminate duplicates Z: 48 47.053 2.017 0.746 0.853 0.957 0.681 CA 1.505 48 residues pruned to eliminate duplicates Z: 49 44.467 2.044 0.642 0.838 0.979 0.854 CA 1.460 49 residues pruned to eliminate duplicates Z: 57 50.297 2.050 0.721 0.860 0.982 0.857 CA 1.426 57 residues pruned to eliminate duplicates Z: 57 47.682 2.060 0.675 0.831 0.982 0.786 CA 1.412 58 residues pruned to eliminate duplicates Z: 37 45.007 2.028 0.715 0.920 1.000 0.833 CA 1.519 37 residues pruned to eliminate duplicates Z: 59 48.720 2.056 0.627 0.863 0.983 0.862 CA 1.428 59 residues pruned to eliminate duplicates Z: 65 48.484 2.053 0.568 0.862 0.969 0.844 CA 1.426 65 residues pruned to eliminate duplicates Z: 70 53.963 2.021 0.957 0.790 0.870 0.536 CB 1.464 70 residues pruned to eliminate duplicates Z: 64 59.965 2.085 0.783 0.867 0.984 0.825 CA 1.511 64 residues pruned to eliminate duplicates Z: 48 37.737 2.016 0.571 0.736 0.957 0.702 CA 1.469 48 residues pruned to eliminate duplicates Z: 60 47.867 1.920 0.734 0.752 0.966 0.780 CA 1.547 56 residues pruned to eliminate duplicates Z: 38 49.394 2.040 0.834 0.934 1.000 0.757 CA 1.514 42 residues pruned to eliminate duplicates Z: 32 44.636 2.015 0.917 0.945 1.000 0.839 CA 1.436 32 residues pruned to eliminate duplicates Z: 62 62.943 2.123 0.812 0.898 1.000 0.754 CA 1.499 63 residues pruned to eliminate duplicates Z: 38 48.405 2.040 0.854 0.921 1.000 0.784 CA 1.481 38 residues pruned to eliminate duplicates Z: 47 53.888 2.087 0.803 0.885 1.000 0.870 CA 1.524 47 residues pruned to eliminate duplicates Z: 70 49.907 2.010 0.754 0.768 0.957 0.725 CA 1.405 70 residues pruned to eliminate duplicates Z: 47 52.624 2.058 0.735 0.879 1.000 0.696 CA 1.576 47 residues pruned to eliminate duplicates Z: 61 51.233 1.979 0.811 0.818 1.000 0.667 CA 1.400 61 residues pruned to eliminate duplicates Z: 58 56.323 2.060 0.887 0.834 0.965 0.772 CA 1.491 58 residues pruned to eliminate duplicates Z: 69 60.178 2.092 0.767 0.841 0.971 0.794 CA 1.517 69 residues pruned to eliminate duplicates Z: 71 60.124 2.107 0.684 0.904 1.000 0.829 CA 1.443 71 residues pruned to eliminate duplicates Z: 58 51.578 2.055 0.807 0.831 0.965 0.719 CA 1.432 58 residues pruned to eliminate duplicates Z: 59 54.559 2.105 0.770 0.812 0.966 0.741 CA 1.518 59 residues pruned to eliminate duplicates Z: 65 54.490 2.072 0.744 0.832 0.984 0.672 CA 1.438 65 residues pruned to eliminate duplicates Z: 64 50.334 2.030 0.668 0.803 0.968 0.810 CA 1.485 64 residues pruned to eliminate duplicates Z: 48 46.000 2.058 0.686 0.858 0.979 0.766 CA 1.455 48 residues pruned to eliminate duplicates Z: 47 51.448 2.103 0.756 0.873 1.000 0.761 CA 1.497 47 residues pruned to eliminate duplicates Z: 60 55.307 2.062 0.832 0.845 0.966 0.746 CA 1.466 60 residues pruned to eliminate duplicates Z: 53 45.543 2.121 0.552 0.882 0.981 0.769 CA 1.415 53 residues pruned to eliminate duplicates Z: 58 45.356 2.076 0.641 0.786 0.947 0.772 CA 1.448 58 residues pruned to eliminate duplicates Z: 58 52.161 2.073 0.719 0.863 1.000 0.684 CA 1.422 58 residues pruned to eliminate duplicates Z: 55 54.493 2.130 0.704 0.872 0.981 0.759 CA 1.517 55 residues pruned to eliminate duplicates Z: 62 65.686 2.136 0.826 0.912 1.000 0.836 CA 1.526 62 residues pruned to eliminate duplicates Z: 72 60.125 2.081 0.687 0.877 1.000 0.775 CA 1.475 72 residues pruned to eliminate duplicates Z: 71 65.098 2.112 0.815 0.901 0.986 0.871 CA 1.470 71 residues pruned to eliminate duplicates Z: 35 41.819 2.076 0.803 0.932 1.000 0.735 CA 1.337 35 residues pruned to eliminate duplicates Z: 56 63.766 2.081 0.928 0.897 0.982 0.727 CB 1.562 56 residues pruned to eliminate duplicates Z: 32 37.314 2.096 0.657 0.884 0.968 0.839 CB 1.441 32 residues pruned to eliminate duplicates Z: 111 69.221 2.080 0.775 0.782 0.936 0.664 CB 1.489 111 residues pruned to eliminate duplicates Z: 72 67.838 2.087 0.899 0.890 0.986 0.718 CB 1.482 72 residues pruned to eliminate duplicates Z: 24 29.898 2.100 0.595 0.900 0.957 0.739 CB 1.389 24 residues pruned to eliminate duplicates Z: 27 29.278 2.060 0.748 0.763 0.885 0.615 CA 1.427 27 residues pruned to eliminate duplicates Z: 17 30.078 2.088 0.926 0.865 1.000 0.750 CB 1.370 17 residues pruned to eliminate duplicates Z: 100 77.867 2.125 0.850 0.869 0.970 0.707 CB 1.500 100 residues pruned to eliminate duplicates Z: 80 55.986 2.113 0.691 0.794 0.949 0.759 CB 1.435 80 residues pruned to eliminate duplicates Z: 23 35.570 2.173 0.790 0.928 1.000 0.864 CB 1.365 23 residues pruned to eliminate duplicates Z: 68 52.484 1.990 0.860 0.799 0.925 0.701 CB 1.442 68 residues pruned to eliminate duplicates Z: 27 28.180 2.070 0.732 0.763 0.885 0.423 CB 1.380 27 residues pruned to eliminate duplicates Z: 70 70.517 2.103 0.947 0.908 1.000 0.623 CB 1.472 70 residues pruned to eliminate duplicates Z: 17 27.444 2.146 0.588 0.929 1.000 0.875 CB 1.409 17 residues pruned to eliminate duplicates Z: 72 59.529 2.146 0.772 0.815 0.972 0.648 CB 1.453 72 residues pruned to eliminate duplicates Z: 27 33.642 2.051 0.917 0.821 0.962 0.538 CB 1.322 27 residues pruned to eliminate duplicates Z: 18 20.227 2.093 0.648 0.769 0.882 0.765 CB 1.269 18 residues pruned to eliminate duplicates Z: 17 29.146 2.143 0.700 0.912 1.000 0.812 CB 1.416 17 residues pruned to eliminate duplicates Z: 75 54.275 2.096 0.719 0.786 0.932 0.716 CB 1.460 75 residues pruned to eliminate duplicates Z: 100 79.820 2.137 0.767 0.879 1.000 0.758 CA 1.541 100 residues pruned to eliminate duplicates Z: 116 74.299 2.100 0.706 0.831 0.974 0.748 CB 1.492 116 residues pruned to eliminate duplicates Z: 28 49.251 2.233 0.870 0.950 1.000 0.852 CB 1.566 28 residues pruned to eliminate duplicates Z: 29 50.125 2.222 1.004 0.916 0.964 0.821 CB 1.558 29 residues pruned to eliminate duplicates Z: 48 50.013 2.198 0.601 0.832 0.979 0.787 CA 1.589 48 residues pruned to eliminate duplicates Z: 59 56.072 2.124 0.956 0.831 0.931 0.638 CB 1.430 59 residues pruned to eliminate duplicates Z: 47 38.698 2.066 0.670 0.699 0.935 0.696 CB 1.475 47 residues pruned to eliminate duplicates Z: 100 86.098 2.139 0.950 0.876 0.990 0.768 CB 1.523 100 residues pruned to eliminate duplicates Z: 84 66.486 2.113 0.950 0.824 0.940 0.675 CB 1.423 84 residues pruned to eliminate duplicates Z: 46 50.272 2.179 0.792 0.863 0.978 0.844 CB 1.440 46 residues pruned to eliminate duplicates Z: 85 65.456 2.128 0.774 0.836 0.976 0.762 CB 1.450 85 residues pruned to eliminate duplicates Z: 32 46.637 2.151 0.989 0.839 0.968 0.774 CB 1.511 32 residues pruned to eliminate duplicates Z: 46 54.126 2.182 0.921 0.872 0.978 0.756 CB 1.435 46 residues pruned to eliminate duplicates Z: 83 59.775 2.126 0.793 0.795 0.915 0.695 CB 1.462 83 residues pruned to eliminate duplicates Z: 69 60.632 2.158 0.874 0.824 0.941 0.735 CB 1.459 69 residues pruned to eliminate duplicates Z: 60 57.436 2.144 0.946 0.876 0.949 0.661 CB 1.372 60 residues pruned to eliminate duplicates Z: 40 42.721 2.144 0.877 0.758 0.923 0.744 CB 1.464 40 residues pruned to eliminate duplicates Z: 58 49.646 2.140 0.821 0.764 0.947 0.667 CB 1.410 58 residues pruned to eliminate duplicates Z: 100 85.966 2.145 0.904 0.880 1.000 0.707 CB 1.533 100 residues pruned to eliminate duplicates Z: 71 60.912 2.146 0.822 0.808 0.986 0.614 CB 1.444 71 residues pruned to eliminate duplicates Z: 29 55.724 2.246 1.090 0.914 1.000 0.821 CB 1.587 29 residues pruned to eliminate duplicates Z: 46 51.734 2.168 0.911 0.873 0.933 0.778 CB 1.453 46 residues pruned to eliminate duplicates Z: 108 75.723 2.098 0.898 0.811 0.944 0.617 CB 1.486 108 residues pruned to eliminate duplicates Z: 51 59.833 2.178 0.887 0.827 1.000 0.720 CA 1.551 51 residues pruned to eliminate duplicates Z: 131 84.857 2.112 0.842 0.853 0.962 0.708 CB 1.471 131 residues pruned to eliminate duplicates Z: 70 57.506 2.105 0.857 0.782 0.928 0.652 CB 1.489 70 residues pruned to eliminate duplicates Z: 101 86.101 2.119 0.980 0.868 0.990 0.690 CB 1.515 101 residues pruned to eliminate duplicates Z: 116 80.034 2.106 0.907 0.832 0.957 0.652 CB 1.459 116 residues pruned to eliminate duplicates Z: 70 60.535 2.133 0.872 0.807 0.957 0.754 CB 1.460 70 residues pruned to eliminate duplicates Z: 105 83.166 2.115 1.011 0.847 0.952 0.692 CB 1.495 105 residues pruned to eliminate duplicates Z: 57 51.410 2.119 0.921 0.765 0.893 0.714 CA 1.495 57 residues pruned to eliminate duplicates Z: 73 56.318 2.079 0.870 0.699 0.944 0.667 CB 1.507 73 residues pruned to eliminate duplicates Z: 112 72.130 2.089 0.892 0.796 0.901 0.640 CB 1.484 112 residues pruned to eliminate duplicates Z: 50 54.418 2.117 0.911 0.799 0.939 0.735 CA 1.576 50 residues pruned to eliminate duplicates Z: 51 54.952 2.143 0.974 0.800 0.920 0.740 CA 1.536 51 residues pruned to eliminate duplicates Z: 30 28.258 1.942 0.643 0.712 0.931 0.655 CA 1.457 30 residues pruned to eliminate duplicates Z: 32 22.303 1.989 0.703 0.582 0.774 0.613 CB 1.412 32 residues pruned to eliminate duplicates Z: 69 62.770 2.156 0.852 0.823 0.941 0.765 CB 1.531 69 residues pruned to eliminate duplicates Z: 118 84.003 2.110 0.852 0.819 0.983 0.701 CB 1.532 118 residues pruned to eliminate duplicates Z: 80 67.175 2.144 0.909 0.831 0.949 0.658 CB 1.462 80 residues pruned to eliminate duplicates Z: 51 61.949 2.180 1.045 0.835 0.940 0.660 CB 1.566 51 residues pruned to eliminate duplicates Z: 120 81.922 2.093 0.861 0.838 0.958 0.765 CA 1.505 120 residues pruned to eliminate duplicates Z: 35 31.321 1.998 0.577 0.730 0.941 0.529 CB 1.473 35 residues pruned to eliminate duplicates Z: 25 31.558 2.067 0.672 0.825 1.000 0.667 CA 1.407 25 residues pruned to eliminate duplicates Z: 25 31.997 2.092 0.675 0.777 0.958 0.750 CB 1.523 25 residues pruned to eliminate duplicates Z: 55 57.461 2.135 0.970 0.797 0.963 0.667 CB 1.488 55 residues pruned to eliminate duplicates Z: 107 81.140 2.148 0.928 0.825 0.962 0.623 CB 1.492 107 residues pruned to eliminate duplicates Z: 26 35.451 2.033 0.910 0.751 0.960 0.640 CB 1.520 26 residues pruned to eliminate duplicates Z: 75 68.775 2.135 0.964 0.819 0.959 0.703 CB 1.507 75 residues pruned to eliminate duplicates Z: 54 53.177 2.076 0.979 0.759 0.925 0.472 CB 1.528 54 residues pruned to eliminate duplicates Z: 58 55.655 2.096 0.904 0.822 0.912 0.684 CB 1.531 58 residues pruned to eliminate duplicates Z: 13 16.066 1.913 0.548 0.868 0.917 0.667 CB 1.249 13 residues pruned to eliminate duplicates Z: 32 33.390 2.039 0.726 0.832 0.968 0.677 CB 1.322 32 residues pruned to eliminate duplicates Z: 13 15.545 1.934 0.872 0.826 0.833 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 12 16.715 1.919 0.841 0.890 1.000 0.636 CB 1.027 12 residues pruned to eliminate duplicates Z: 14 16.508 1.852 0.955 0.848 0.846 0.615 CB 1.109 14 residues pruned to eliminate duplicates Z: 10 21.481 1.935 1.036 0.914 1.000 0.889 CB 1.285 10 residues pruned to eliminate duplicates Z: 11 16.996 1.904 0.815 0.875 0.900 0.700 CB 1.257 11 residues pruned to eliminate duplicates Z: 12 15.856 1.911 0.605 0.910 1.000 0.818 CB 1.106 12 residues pruned to eliminate duplicates Z: 15 19.668 1.801 0.926 0.915 0.929 0.714 CB 1.153 15 residues pruned to eliminate duplicates Z: 39 30.798 1.930 0.790 0.709 0.895 0.658 CB 1.337 39 residues pruned to eliminate duplicates Z: 14 18.741 1.805 1.030 0.876 0.923 0.692 CB 1.117 14 residues pruned to eliminate duplicates Z: 45 33.773 1.925 0.709 0.711 0.955 0.705 CB 1.339 45 residues pruned to eliminate duplicates Z: 22 26.430 2.097 0.740 0.779 0.905 0.810 CB 1.366 22 residues pruned to eliminate duplicates Z: 46 32.144 1.935 0.574 0.701 0.956 0.711 CB 1.371 46 residues pruned to eliminate duplicates Z: 41 32.378 1.902 0.861 0.721 0.925 0.625 CB 1.280 41 residues pruned to eliminate duplicates Z: 56 36.587 1.907 0.676 0.763 0.909 0.655 CB 1.345 56 residues pruned to eliminate duplicates Z: 50 38.793 1.951 0.715 0.781 0.918 0.755 CB 1.408 50 residues pruned to eliminate duplicates Z: 29 24.717 2.039 0.588 0.714 0.964 0.821 CB 1.233 29 residues pruned to eliminate duplicates Z: 30 18.144 1.917 0.582 0.564 0.862 0.483 CB 1.211 30 residues pruned to eliminate duplicates Z: 49 31.565 1.857 0.710 0.646 0.958 0.604 CB 1.305 31 residues pruned to eliminate duplicates Z: 21 24.887 1.822 0.589 0.860 1.000 0.700 CA 1.413 21 residues pruned to eliminate duplicates Z: 28 27.955 2.049 0.628 0.732 0.963 0.778 CB 1.359 15 residues pruned to eliminate duplicates Z: 21 22.526 1.826 0.727 0.872 0.900 0.600 CB 1.294 21 residues pruned to eliminate duplicates Z: 41 40.420 2.004 0.798 0.773 0.925 0.650 CB 1.506 41 residues pruned to eliminate duplicates Z: 42 39.674 2.001 0.634 0.799 0.976 0.732 CB 1.496 42 residues pruned to eliminate duplicates Z: 44 35.924 1.972 0.738 0.739 0.884 0.674 CB 1.461 44 residues pruned to eliminate duplicates Z: 42 38.633 1.997 0.737 0.778 0.976 0.732 CB 1.395 42 residues pruned to eliminate duplicates Z: 44 32.947 1.959 0.716 0.731 0.860 0.698 CB 1.411 44 residues pruned to eliminate duplicates Z: 57 40.067 1.872 0.738 0.762 0.946 0.750 CB 1.379 43 residues pruned to eliminate duplicates Z: 21 31.357 1.874 0.907 0.895 1.000 0.800 CA 1.407 21 residues pruned to eliminate duplicates Z: 45 27.027 1.915 0.515 0.691 0.886 0.659 CB 1.330 45 residues pruned to eliminate duplicates Z: 44 35.430 1.974 0.649 0.760 0.930 0.721 CB 1.417 44 residues pruned to eliminate duplicates Z: 15 17.586 1.810 0.661 0.685 0.929 0.714 CA 1.421 15 residues pruned to eliminate duplicates Z: 45 29.608 1.909 0.733 0.668 0.864 0.636 CB 1.337 45 residues pruned to eliminate duplicates Z: 9 9.781 1.820 0.473 0.809 0.875 0.750 CA 1.126 9 residues pruned to eliminate duplicates Z: 17 17.286 1.776 0.667 0.650 0.938 0.688 CB 1.354 17 residues pruned to eliminate duplicates Z: 43 32.860 1.938 0.744 0.726 0.952 0.690 CB 1.285 43 residues pruned to eliminate duplicates Z: 27 21.683 1.793 0.753 0.713 0.962 0.654 CB 1.160 27 residues pruned to eliminate duplicates Z: 25 22.182 1.852 0.726 0.745 0.917 0.542 CB 1.241 25 residues pruned to eliminate duplicates Z: 38 28.748 1.955 0.711 0.709 0.946 0.595 CB 1.235 38 residues pruned to eliminate duplicates Z: 34 30.606 1.955 0.542 0.756 0.970 0.818 CB 1.451 34 residues pruned to eliminate duplicates Z: 24 23.128 2.038 0.480 0.747 0.957 0.826 CB 1.340 24 residues pruned to eliminate duplicates Z: 31 22.762 1.963 0.497 0.685 0.933 0.767 CB 1.279 31 residues pruned to eliminate duplicates Z: 50 36.896 1.939 0.710 0.796 0.898 0.735 CB 1.366 50 residues pruned to eliminate duplicates Z: 44 35.274 1.958 0.689 0.732 0.930 0.698 CB 1.420 44 residues pruned to eliminate duplicates Z: 42 36.208 1.995 0.613 0.787 0.951 0.707 CB 1.435 42 residues pruned to eliminate duplicates Z: 44 33.093 1.972 0.603 0.707 0.930 0.605 CB 1.422 44 residues pruned to eliminate duplicates Z: 44 36.480 1.965 0.685 0.760 0.930 0.744 CB 1.433 44 residues pruned to eliminate duplicates Z: 22 27.183 2.116 0.523 0.791 1.000 0.762 CB 1.426 22 residues pruned to eliminate duplicates Z: 42 37.666 1.997 0.665 0.779 0.951 0.707 CB 1.455 42 residues pruned to eliminate duplicates Z: 21 27.574 2.084 0.681 0.800 1.000 0.950 CB 1.353 21 residues pruned to eliminate duplicates Z: 42 28.179 1.910 0.565 0.668 0.976 0.610 CB 1.292 42 residues pruned to eliminate duplicates Z: 9 4.214 1.466 0.433 0.660 0.875 0.750 CB 0.699 9 residues pruned to eliminate duplicates Z: 8 4.946 1.402 0.367 0.735 0.857 0.857 CB 0.922 8 residues pruned to eliminate duplicates Z: 8 5.625 1.395 0.363 0.713 1.000 0.714 CB 0.922 8 residues pruned to eliminate duplicates Z: 27 18.147 1.601 0.464 0.868 0.923 0.885 CB 1.202 27 residues pruned to eliminate duplicates Z: 14 11.263 1.505 0.361 0.843 1.000 0.923 CB 1.135 14 residues pruned to eliminate duplicates Z: 7 3.697 1.291 0.373 0.573 1.000 1.000 CB 0.793 7 residues pruned to eliminate duplicates Z: 12 5.800 1.596 0.151 0.556 0.727 0.545 CB 1.240 12 residues pruned to eliminate duplicates Z: 11 8.931 1.545 0.588 0.655 0.900 0.600 CB 1.107 11 residues pruned to eliminate duplicates Z: 8 8.316 1.612 0.417 0.851 0.857 0.857 CB 1.189 8 residues pruned to eliminate duplicates Z: 38 22.356 1.758 0.616 0.679 0.865 0.676 CB 1.268 38 residues pruned to eliminate duplicates Z: 42 22.994 1.763 0.402 0.755 0.927 0.732 CB 1.249 42 residues pruned to eliminate duplicates Z: 20 20.365 1.714 0.593 0.770 0.947 0.789 CB 1.422 20 residues pruned to eliminate duplicates Z: 15 14.594 1.652 0.449 0.838 0.929 0.857 CB 1.311 15 residues pruned to eliminate duplicates Z: 29 22.169 1.762 0.698 0.746 0.893 0.607 CB 1.259 29 residues pruned to eliminate duplicates Z: 39 23.923 1.748 0.587 0.718 0.868 0.684 CB 1.323 39 residues pruned to eliminate duplicates Z: 31 19.430 1.809 0.375 0.685 0.900 0.667 CB 1.337 31 residues pruned to eliminate duplicates Z: 16 20.205 1.815 0.525 0.686 1.000 0.733 CA 1.589 16 residues pruned to eliminate duplicates Z: 38 21.465 1.745 0.579 0.701 0.892 0.784 CB 1.195 38 residues pruned to eliminate duplicates Z: 29 18.534 1.687 0.563 0.682 0.893 0.714 CB 1.258 29 residues pruned to eliminate duplicates Z: 13 13.675 1.654 0.575 0.793 1.000 0.750 CA 1.172 13 residues pruned to eliminate duplicates Z: 29 25.124 1.887 0.490 0.798 1.000 0.786 CB 1.301 29 residues pruned to eliminate duplicates Z: 28 28.541 1.891 0.682 0.809 1.000 0.778 CB 1.319 28 residues pruned to eliminate duplicates Z: 35 24.060 1.799 0.488 0.740 0.971 0.588 CB 1.281 35 residues pruned to eliminate duplicates Z: 34 24.767 1.824 0.595 0.748 0.939 0.606 CB 1.264 34 residues pruned to eliminate duplicates Z: 41 24.113 1.772 0.521 0.763 0.900 0.650 CB 1.244 41 residues pruned to eliminate duplicates Z: 32 24.500 1.862 0.415 0.794 0.968 0.742 CB 1.334 32 residues pruned to eliminate duplicates Z: 27 24.827 1.924 0.543 0.762 0.962 0.731 CB 1.352 27 residues pruned to eliminate duplicates Z: 36 22.285 1.804 0.544 0.718 0.886 0.771 CB 1.254 36 residues pruned to eliminate duplicates Z: 37 19.155 1.735 0.529 0.602 0.917 0.583 CB 1.190 37 residues pruned to eliminate duplicates Z: 31 21.261 1.832 0.382 0.700 0.900 0.600 CB 1.420 31 residues pruned to eliminate duplicates Z: 39 22.628 1.794 0.494 0.613 0.921 0.579 CB 1.336 39 residues pruned to eliminate duplicates Z: 34 22.630 1.834 0.522 0.620 0.909 0.667 CB 1.386 34 residues pruned to eliminate duplicates Z: 45 27.158 1.746 0.625 0.706 0.955 0.705 CB 1.254 45 residues pruned to eliminate duplicates Z: 38 22.527 1.755 0.660 0.697 0.892 0.595 CB 1.191 38 residues pruned to eliminate duplicates Z: 50 31.008 1.800 0.701 0.708 0.939 0.551 CB 1.277 48 residues pruned to eliminate duplicates Z: 23 21.054 1.815 0.675 0.874 0.909 0.500 CB 1.182 23 residues pruned to eliminate duplicates Z: 16 7.054 1.469 0.816 0.294 0.867 0.400 CB 0.991 16 residues pruned to eliminate duplicates Z: 16 9.889 1.764 0.752 0.606 0.800 0.400 CB 0.934 16 residues pruned to eliminate duplicates Z: 16 13.435 1.773 0.729 0.780 0.933 0.533 CB 0.948 16 residues pruned to eliminate duplicates Z: 13 11.890 1.836 0.786 0.757 0.917 0.333 CB 0.909 13 residues pruned to eliminate duplicates Z: 17 19.181 1.780 0.781 0.882 1.000 0.500 CB 1.095 17 residues pruned to eliminate duplicates Z: 20 16.769 1.766 0.680 0.845 0.947 0.684 CB 1.018 20 residues pruned to eliminate duplicates Z: 17 23.161 1.797 0.737 0.844 0.938 0.750 CB 1.472 17 residues pruned to eliminate duplicates Z: 18 22.217 1.815 0.774 0.832 0.882 0.824 CB 1.424 18 residues pruned to eliminate duplicates Z: 19 18.822 1.715 0.673 0.908 0.944 0.778 CB 1.163 19 residues pruned to eliminate duplicates Z: 19 21.960 1.801 0.664 0.837 0.944 0.778 CB 1.368 19 residues pruned to eliminate duplicates Z: 19 23.384 1.824 0.653 0.818 0.944 0.667 CB 1.468 19 residues pruned to eliminate duplicates Z: 18 24.770 1.829 0.732 0.873 0.941 0.588 N 1.468 18 residues pruned to eliminate duplicates Z: 17 18.826 1.696 0.754 0.901 0.938 0.562 CB 1.204 17 residues pruned to eliminate duplicates Z: 17 16.143 1.808 0.666 0.750 0.812 0.625 N 1.319 17 residues pruned to eliminate duplicates Z: 16 16.917 1.742 0.636 0.912 1.000 0.667 CB 1.086 16 residues pruned to eliminate duplicates Z: 13 15.906 1.781 0.648 0.857 1.000 0.833 CB 1.153 12 residues pruned to eliminate duplicates Z: 19 23.696 1.797 0.830 0.917 0.944 0.611 CB 1.269 19 residues pruned to eliminate duplicates Z: 14 15.185 1.724 0.652 0.800 0.923 0.462 CB 1.233 14 residues pruned to eliminate duplicates Z: 15 16.529 1.754 0.753 0.928 0.857 0.571 CB 1.173 15 residues pruned to eliminate duplicates Z: 37 28.671 1.759 0.886 0.924 0.917 0.556 CB 1.104 35 residues pruned to eliminate duplicates Z: 35 31.598 1.813 0.947 0.944 1.000 0.559 CB 1.063 35 residues pruned to eliminate duplicates Z: 14 20.398 1.810 0.796 0.923 0.923 0.385 CB 1.325 15 residues pruned to eliminate duplicates Z: 8 9.947 1.476 0.551 0.855 1.000 0.857 CA 1.212 8 residues pruned to eliminate duplicates Z: 12 13.279 1.441 0.708 0.916 1.000 0.909 CA 1.149 10 residues pruned to eliminate duplicates Z: 10 11.230 1.417 0.698 0.812 1.000 0.556 CB 1.186 10 residues pruned to eliminate duplicates Z: 11 9.455 1.420 0.691 0.844 0.900 0.600 CB 1.029 10 residues pruned to eliminate duplicates Z: 11 11.418 1.366 0.649 0.886 1.000 0.600 N 1.156 11 residues pruned to eliminate duplicates Z: 11 12.540 1.512 0.541 0.896 1.000 0.900 CA 1.219 11 residues pruned to eliminate duplicates Z: 11 10.952 1.411 0.679 0.908 1.000 0.600 CA 1.038 11 residues pruned to eliminate duplicates Z: 7 4.238 1.400 0.755 0.545 0.667 0.500 CB 1.011 7 residues pruned to eliminate duplicates Z: 7 5.540 1.367 0.669 0.716 1.000 0.833 CB 0.816 7 residues pruned to eliminate duplicates Z: 6 2.421 1.206 0.328 0.788 0.800 0.600 CB 0.656 Z: 7 5.944 1.456 0.528 0.649 0.833 0.500 C 1.139 6 residues pruned to eliminate duplicates Z: 7 7.579 1.454 0.349 0.773 1.000 0.667 CA 1.240 7 residues pruned to eliminate duplicates Z: 12 10.855 1.604 0.351 0.637 1.000 0.364 N 1.329 8 residues pruned to eliminate duplicates Z: 9 7.819 1.364 0.472 0.760 1.000 0.500 O 1.092 9 residues pruned to eliminate duplicates Z: 28 14.050 1.566 0.665 0.534 0.778 0.370 N 1.290 28 residues pruned to eliminate duplicates Z: 21 18.212 1.565 0.496 0.801 1.000 0.800 CB 1.336 21 residues pruned to eliminate duplicates Z: 10 7.666 1.401 0.749 0.592 1.000 0.556 N 0.955 10 residues pruned to eliminate duplicates Z: 21 17.606 1.542 0.530 0.827 0.950 0.700 CB 1.324 21 residues pruned to eliminate duplicates Z: 22 15.263 1.559 0.641 0.707 0.857 0.714 N 1.258 22 residues pruned to eliminate duplicates Z: 18 14.732 1.557 0.557 0.808 0.882 0.706 N 1.278 18 residues pruned to eliminate duplicates Z: 13 9.339 1.547 0.503 0.725 0.833 0.583 N 1.136 13 residues pruned to eliminate duplicates Z: 26 14.990 1.521 0.456 0.655 0.920 0.440 CB 1.273 29 residues pruned to eliminate duplicates Z: 22 19.065 1.499 0.665 0.865 0.952 0.667 N 1.283 22 residues pruned to eliminate duplicates Z: 21 10.740 1.588 0.466 0.660 0.750 0.600 CB 1.186 21 residues pruned to eliminate duplicates Z: 11 14.704 1.617 0.520 0.879 1.000 0.700 CB 1.372 11 residues pruned to eliminate duplicates Z: 12 10.301 1.597 0.450 0.772 0.818 0.455 N 1.288 12 residues pruned to eliminate duplicates Z: 14 14.308 1.589 0.679 0.848 0.923 0.692 CA 1.195 14 residues pruned to eliminate duplicates Z: 18 10.367 1.554 0.518 0.616 0.824 0.471 CB 1.160 18 residues pruned to eliminate duplicates Z: 12 11.232 1.564 0.461 0.825 0.909 0.636 N 1.230 12 residues pruned to eliminate duplicates Z: 13 11.946 1.616 0.619 0.712 0.750 0.500 N 1.450 13 residues pruned to eliminate duplicates Z: 18 17.795 1.590 0.797 0.880 0.941 0.647 CB 1.163 18 residues pruned to eliminate duplicates Z: 13 13.192 1.514 0.511 0.856 1.000 0.500 CA 1.228 13 residues pruned to eliminate duplicates Z: 16 14.591 1.613 0.455 0.863 1.000 0.800 CB 1.178 16 residues pruned to eliminate duplicates Z: 7 3.379 1.593 0.411 0.415 0.833 0.333 CB 0.805 Z: 15 14.247 1.625 0.723 0.882 0.929 0.786 CB 1.060 22 residues pruned to eliminate duplicates Z: 6 2.194 1.552 0.335 0.620 0.600 0.600 CB 0.704 Z: 12 13.085 1.623 0.544 0.745 1.000 0.636 CB 1.265 12 residues pruned to eliminate duplicates Z: 12 11.797 1.704 0.513 0.684 0.909 0.455 CB 1.282 12 residues pruned to eliminate duplicates Z: 16 8.925 1.533 0.529 0.491 0.800 0.267 CB 1.241 Z: 14 12.741 1.540 0.812 0.862 0.846 0.385 CB 1.098 30 residues pruned to eliminate duplicates Z: 12 10.316 1.728 0.510 0.616 0.818 0.545 CB 1.306 12 residues pruned to eliminate duplicates Z: 14 10.578 1.639 0.610 0.547 0.769 0.385 CB 1.381 14 residues pruned to eliminate duplicates Z: 14 10.224 1.590 0.541 0.616 0.923 0.231 CB 1.124 14 residues pruned to eliminate duplicates Z: 12 10.448 1.674 0.576 0.619 0.909 0.273 CB 1.175 18 residues pruned to eliminate duplicates Z: 9 9.719 1.602 1.112 0.672 0.875 0.625 CB 0.991 9 residues pruned to eliminate duplicates Z: 13 7.272 1.504 0.637 0.593 0.917 0.167 CB 0.851 13 residues pruned to eliminate duplicates Z: 10 7.773 1.640 0.883 0.637 0.889 0.333 CB 0.831 10 residues pruned to eliminate duplicates Z: 21 19.585 1.577 0.637 0.912 1.000 0.750 CB 1.201 21 residues pruned to eliminate duplicates Z: 13 9.437 1.416 0.516 0.748 0.917 0.833 O 1.109 13 residues pruned to eliminate duplicates Z: 17 12.919 1.574 0.320 0.852 0.938 0.750 CB 1.226 17 residues pruned to eliminate duplicates Z: 16 13.635 1.564 0.250 0.906 1.000 0.867 CB 1.281 16 residues pruned to eliminate duplicates Z: 11 8.217 1.537 0.218 0.784 0.900 0.900 CB 1.201 11 residues pruned to eliminate duplicates Z: 14 9.211 1.554 0.148 0.678 0.923 0.692 CB 1.316 14 residues pruned to eliminate duplicates Z: 17 8.061 1.455 0.351 0.696 0.812 0.625 CB 1.055 17 residues pruned to eliminate duplicates Z: 11 11.479 1.636 0.169 0.806 1.000 0.800 O 1.454 11 residues pruned to eliminate duplicates Z: 11 8.618 1.528 0.486 0.625 0.900 0.500 N 1.185 11 residues pruned to eliminate duplicates Z: 11 7.560 1.531 0.528 0.652 0.800 0.500 CB 1.108 11 residues pruned to eliminate duplicates Z: 10 11.977 1.634 0.582 0.827 0.889 0.778 N 1.309 10 residues pruned to eliminate duplicates Z: 12 12.869 1.595 0.605 0.775 0.909 0.455 CB 1.308 12 residues pruned to eliminate duplicates Z: 14 12.406 1.566 0.717 0.726 0.846 0.538 N 1.233 14 residues pruned to eliminate duplicates Z: 12 12.173 1.508 0.785 0.725 1.000 0.545 CB 1.113 12 residues pruned to eliminate duplicates 518 residues left after pruning, divided into chains as follows: A: 27 B: 27 C: 63 D: 32 E: 134 F: 13 G: 43 H: 49 I: 61 J: 13 K: 56 CC for partial structure against native data = 47.29 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.471, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.548, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.655, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.666, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.675, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.678, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.678, Connect. = 0.795 for dens.mod. cycle 8 = 0.300, Contrast = 0.677, Connect. = 0.796 for dens.mod. cycle 9 = 0.300, Contrast = 0.676, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2668 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 587 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 37 47.980 2.035 0.943 0.919 0.944 0.861 CA 1.509 B: 30 40.459 2.127 0.618 0.928 1.000 0.862 CA 1.528 C: 22 28.165 1.955 0.835 0.822 0.905 0.857 CA 1.432 D: 20 23.173 1.978 0.450 0.907 1.000 0.789 CA 1.318 E: 26 35.642 2.004 0.789 0.925 1.000 0.840 CB 1.395 F: 29 50.270 2.197 0.972 0.936 1.000 0.893 CA 1.527 30 residues pruned to eliminate duplicates G: 30 26.483 1.923 0.488 0.881 0.931 0.724 CB 1.337 22 residues pruned to eliminate duplicates H: 67 63.146 2.173 0.855 0.814 0.955 0.697 CB 1.538 48 residues pruned to eliminate duplicates I: 18 30.220 2.061 0.826 0.924 1.000 0.765 CB 1.367 18 residues pruned to eliminate duplicates J: 20 18.169 2.120 -0.020 0.943 1.000 0.947 CB 1.390 20 residues pruned to eliminate duplicates K: 25 27.339 2.023 0.435 0.908 0.917 0.917 CA 1.489 L: 17 27.043 2.138 0.632 0.925 1.000 0.875 CA 1.360 17 residues pruned to eliminate duplicates M: 37 38.875 2.042 0.665 0.941 0.972 0.861 CA 1.360 18 residues pruned to eliminate duplicates N: 27 30.491 2.056 0.638 0.942 1.000 0.769 CB 1.231 19 residues pruned to eliminate duplicates O: 24 27.820 2.022 0.553 0.921 1.000 0.826 CB 1.301 24 residues pruned to eliminate duplicates P: 40 46.298 1.928 0.917 0.911 1.000 0.692 CA 1.422 39 residues pruned to eliminate duplicates Q: 26 32.620 2.007 0.782 0.881 0.840 0.600 CB 1.572 26 residues pruned to eliminate duplicates R: 22 28.443 2.107 0.532 0.948 1.000 0.857 CA 1.328 22 residues pruned to eliminate duplicates S: 31 34.797 1.932 0.900 0.930 0.967 0.733 CB 1.253 T: 28 21.133 1.969 0.170 0.942 1.000 0.926 CB 1.224 28 residues pruned to eliminate duplicates U: 32 34.940 1.951 0.725 0.932 1.000 0.935 CB 1.302 31 residues pruned to eliminate duplicates V: 37 40.960 2.001 0.688 0.912 1.000 0.778 CA 1.432 37 residues pruned to eliminate duplicates W: 27 26.007 2.019 0.518 0.729 0.885 0.731 CB 1.530 27 residues pruned to eliminate duplicates X: 28 38.110 1.956 1.112 0.920 1.000 0.667 CB 1.250 26 residues pruned to eliminate duplicates Y: 32 37.908 1.903 0.894 0.936 1.000 0.806 CB 1.315 32 residues pruned to eliminate duplicates Z: 28 41.893 2.008 0.870 0.940 1.000 0.852 CB 1.491 28 residues pruned to eliminate duplicates Z: 27 37.645 1.971 1.054 0.929 1.000 0.808 CB 1.276 27 residues pruned to eliminate duplicates Z: 30 47.327 2.086 0.910 0.931 1.000 0.690 CB 1.542 30 residues pruned to eliminate duplicates Z: 27 26.881 2.036 0.652 0.935 0.962 0.769 CB 1.136 27 residues pruned to eliminate duplicates Z: 38 41.553 1.981 0.747 0.912 0.946 0.703 CA 1.477 38 residues pruned to eliminate duplicates Z: 14 15.163 1.810 0.274 0.926 1.000 0.923 CB 1.279 14 residues pruned to eliminate duplicates Z: 30 23.274 1.927 0.383 0.873 0.931 0.828 CB 1.268 30 residues pruned to eliminate duplicates Z: 25 28.966 2.033 0.530 0.923 1.000 0.792 CB 1.336 25 residues pruned to eliminate duplicates Z: 28 33.176 1.970 0.731 0.938 0.926 0.778 CA 1.406 28 residues pruned to eliminate duplicates Z: 67 60.334 2.149 0.871 0.807 0.955 0.758 CB 1.481 67 residues pruned to eliminate duplicates Z: 30 37.041 2.019 0.624 0.936 1.000 0.862 CB 1.461 30 residues pruned to eliminate duplicates Z: 28 53.538 2.227 1.073 0.935 1.000 0.889 CB 1.556 28 residues pruned to eliminate duplicates Z: 25 39.268 2.011 0.821 0.912 0.958 0.792 CB 1.617 25 residues pruned to eliminate duplicates Z: 30 46.514 2.137 0.827 0.951 1.000 0.897 CA 1.526 30 residues pruned to eliminate duplicates Z: 28 39.886 2.193 0.679 0.942 1.000 1.000 CA 1.445 28 residues pruned to eliminate duplicates Z: 30 54.580 2.117 1.232 0.929 1.000 0.759 CB 1.501 30 residues pruned to eliminate duplicates Z: 31 30.182 1.901 0.583 0.902 1.000 0.633 CB 1.306 31 residues pruned to eliminate duplicates Z: 17 30.161 2.169 0.807 0.937 1.000 0.688 CB 1.339 19 residues pruned to eliminate duplicates Z: 38 43.565 1.977 0.813 0.920 1.000 0.757 CA 1.407 38 residues pruned to eliminate duplicates Z: 17 26.211 1.938 1.142 0.903 1.000 0.812 CB 1.125 17 residues pruned to eliminate duplicates Z: 28 24.173 1.935 0.506 0.852 0.889 0.741 CA 1.328 28 residues pruned to eliminate duplicates Z: 23 37.477 2.072 0.800 0.933 1.000 0.682 CB 1.495 23 residues pruned to eliminate duplicates Z: 26 29.758 2.136 0.483 0.925 0.960 0.760 CB 1.373 26 residues pruned to eliminate duplicates Z: 28 32.538 1.802 0.849 0.923 1.000 0.556 CB 1.321 Z: 20 35.643 2.102 0.994 0.926 0.947 0.895 CB 1.444 20 residues pruned to eliminate duplicates Z: 29 47.766 2.161 0.948 0.910 1.000 0.821 CB 1.521 29 residues pruned to eliminate duplicates Z: 31 30.556 1.933 0.662 0.895 1.000 0.800 CB 1.244 29 residues pruned to eliminate duplicates Z: 31 32.220 1.941 0.715 0.917 0.967 0.733 CB 1.289 31 residues pruned to eliminate duplicates Z: 25 27.944 1.876 0.472 0.925 1.000 0.917 CB 1.450 Z: 31 33.258 1.962 0.669 0.931 0.967 0.800 CB 1.341 32 residues pruned to eliminate duplicates Z: 27 41.007 2.154 0.836 0.893 0.962 0.769 CB 1.517 27 residues pruned to eliminate duplicates Z: 39 46.262 1.991 0.898 0.914 0.947 0.763 CB 1.483 40 residues pruned to eliminate duplicates Z: 28 35.946 1.998 0.658 0.918 1.000 0.741 CB 1.472 27 residues pruned to eliminate duplicates Z: 28 48.999 2.170 1.020 0.934 0.963 0.778 CA 1.557 28 residues pruned to eliminate duplicates Z: 29 42.970 2.164 0.766 0.932 1.000 0.893 CA 1.484 29 residues pruned to eliminate duplicates Z: 28 31.536 1.809 0.765 0.920 1.000 0.704 CB 1.339 28 residues pruned to eliminate duplicates Z: 27 34.915 2.027 0.649 0.930 0.962 0.808 CA 1.489 27 residues pruned to eliminate duplicates Z: 39 37.886 1.944 0.640 0.894 1.000 0.789 CA 1.383 39 residues pruned to eliminate duplicates Z: 22 34.026 2.099 0.872 0.888 0.952 0.524 CB 1.429 22 residues pruned to eliminate duplicates Z: 18 18.303 1.708 0.788 0.906 0.882 0.588 CB 1.172 18 residues pruned to eliminate duplicates Z: 25 27.867 1.975 0.585 0.880 0.958 0.792 CA 1.374 25 residues pruned to eliminate duplicates Z: 18 23.757 2.057 0.600 0.887 0.941 0.882 CB 1.341 18 residues pruned to eliminate duplicates Z: 17 29.755 2.122 1.002 0.945 1.000 0.625 CB 1.211 17 residues pruned to eliminate duplicates Z: 35 46.951 2.111 0.926 0.940 0.971 0.618 CB 1.417 36 residues pruned to eliminate duplicates Z: 30 34.358 1.942 0.845 0.897 1.000 0.724 CB 1.274 30 residues pruned to eliminate duplicates Z: 37 49.291 1.988 1.063 0.911 0.972 0.667 CA 1.460 37 residues pruned to eliminate duplicates Z: 29 33.758 2.164 0.433 0.913 1.000 1.000 CA 1.456 29 residues pruned to eliminate duplicates Z: 18 29.668 2.080 0.913 0.944 0.941 0.706 CB 1.331 18 residues pruned to eliminate duplicates Z: 26 36.654 2.020 0.833 0.920 0.920 0.680 CA 1.515 26 residues pruned to eliminate duplicates Z: 28 37.877 1.956 0.881 0.920 0.926 0.741 CA 1.507 28 residues pruned to eliminate duplicates Z: 31 34.548 1.940 0.631 0.932 1.000 0.867 CB 1.392 31 residues pruned to eliminate duplicates Z: 34 27.205 1.927 0.516 0.930 0.970 0.636 CB 1.169 27 residues pruned to eliminate duplicates Z: 38 45.028 1.959 0.868 0.913 0.973 0.730 CA 1.472 38 residues pruned to eliminate duplicates Z: 29 24.861 1.978 0.369 0.959 1.000 0.929 CB 1.189 29 residues pruned to eliminate duplicates Z: 30 35.957 1.915 0.963 0.911 0.966 0.655 CB 1.304 30 residues pruned to eliminate duplicates Z: 22 21.881 1.847 0.679 0.800 0.857 0.714 CB 1.381 Z: 30 35.023 1.992 0.716 0.923 1.000 0.793 CB 1.337 30 residues pruned to eliminate duplicates Z: 29 30.952 1.949 0.781 0.904 0.964 0.571 CB 1.245 29 residues pruned to eliminate duplicates Z: 31 37.026 1.965 0.884 0.926 0.967 0.700 CB 1.325 31 residues pruned to eliminate duplicates Z: 23 25.728 2.051 0.451 0.905 1.000 0.909 CB 1.312 23 residues pruned to eliminate duplicates Z: 30 50.029 2.139 0.968 0.935 1.000 0.793 CB 1.538 30 residues pruned to eliminate duplicates Z: 25 21.490 2.086 0.085 0.937 1.000 1.000 CB 1.348 25 residues pruned to eliminate duplicates Z: 22 19.103 1.805 0.388 0.886 0.952 0.857 CA 1.260 Z: 30 32.931 2.109 0.469 0.910 1.000 0.828 CA 1.401 30 residues pruned to eliminate duplicates Z: 36 30.076 2.039 0.343 0.943 0.971 0.886 CA 1.324 36 residues pruned to eliminate duplicates Z: 30 49.550 2.128 0.982 0.928 1.000 0.690 CA 1.527 30 residues pruned to eliminate duplicates Z: 27 35.381 1.994 0.729 0.925 1.000 0.923 CA 1.413 26 residues pruned to eliminate duplicates Z: 26 33.106 2.010 0.735 0.878 0.920 0.720 CB 1.498 26 residues pruned to eliminate duplicates Z: 27 29.545 1.867 0.583 0.942 0.962 0.769 CB 1.414 24 residues pruned to eliminate duplicates Z: 29 31.021 1.938 0.738 0.861 0.929 0.750 CA 1.378 26 residues pruned to eliminate duplicates Z: 29 34.344 1.938 1.090 0.862 0.964 0.607 CB 1.220 29 residues pruned to eliminate duplicates Z: 28 35.327 1.938 0.648 0.937 1.000 0.889 CB 1.482 28 residues pruned to eliminate duplicates Z: 36 45.825 2.070 1.048 0.935 0.943 0.629 CB 1.351 36 residues pruned to eliminate duplicates Z: 32 34.421 1.894 0.794 0.916 0.968 0.742 CB 1.327 32 residues pruned to eliminate duplicates Z: 17 29.004 2.150 0.710 0.932 1.000 0.688 CB 1.377 17 residues pruned to eliminate duplicates Z: 24 19.533 1.803 0.576 0.719 0.913 0.696 CB 1.288 24 residues pruned to eliminate duplicates Z: 23 34.149 2.081 0.659 0.908 1.000 0.864 CA 1.498 23 residues pruned to eliminate duplicates Z: 21 33.727 2.061 0.858 0.931 1.000 0.900 CB 1.376 21 residues pruned to eliminate duplicates Z: 18 34.860 2.078 1.056 0.946 1.000 0.647 CB 1.368 18 residues pruned to eliminate duplicates Z: 28 34.843 1.967 0.680 0.913 0.963 0.852 CA 1.490 28 residues pruned to eliminate duplicates Z: 19 19.656 1.797 0.560 0.927 1.000 0.778 CB 1.158 Z: 28 36.522 2.005 0.636 0.929 1.000 0.741 CB 1.499 28 residues pruned to eliminate duplicates Z: 37 29.212 1.788 0.545 0.899 0.944 0.694 CB 1.334 Z: 35 20.317 1.812 0.682 0.636 0.882 0.529 CB 1.140 35 residues pruned to eliminate duplicates Z: 26 31.608 2.041 0.543 0.907 0.960 0.800 CA 1.486 26 residues pruned to eliminate duplicates Z: 23 31.793 2.051 0.494 0.914 1.000 0.955 CB 1.565 23 residues pruned to eliminate duplicates Z: 30 43.068 2.124 0.812 0.930 0.966 0.828 CA 1.504 30 residues pruned to eliminate duplicates Z: 30 31.616 1.811 0.990 0.904 0.966 0.655 CB 1.202 28 residues pruned to eliminate duplicates Z: 36 27.340 1.729 0.489 0.878 0.943 0.686 CB 1.382 36 residues pruned to eliminate duplicates Z: 24 31.323 2.037 0.521 0.926 0.957 0.870 CB 1.545 24 residues pruned to eliminate duplicates Z: 30 30.974 1.891 0.562 0.900 0.966 0.862 CA 1.441 30 residues pruned to eliminate duplicates Z: 29 37.579 1.981 0.895 0.939 0.964 0.750 CB 1.363 29 residues pruned to eliminate duplicates Z: 25 26.492 1.993 0.313 0.932 0.958 0.917 CA 1.505 25 residues pruned to eliminate duplicates Z: 28 31.507 1.986 0.678 0.937 0.926 0.852 CA 1.367 28 residues pruned to eliminate duplicates Z: 25 35.460 2.046 0.910 0.902 0.958 0.750 CB 1.379 25 residues pruned to eliminate duplicates Z: 27 30.751 1.881 0.753 0.861 0.962 0.846 CB 1.397 27 residues pruned to eliminate duplicates Z: 28 36.614 1.985 0.789 0.915 0.963 0.704 CA 1.456 28 residues pruned to eliminate duplicates Z: 32 30.488 1.901 0.560 0.916 1.000 0.806 CB 1.304 32 residues pruned to eliminate duplicates Z: 37 32.758 1.780 0.580 0.913 1.000 0.611 CB 1.374 37 residues pruned to eliminate duplicates Z: 30 38.532 1.984 0.680 0.943 1.000 0.828 CB 1.487 30 residues pruned to eliminate duplicates Z: 20 24.315 1.873 0.458 0.915 1.000 0.842 CA 1.443 20 residues pruned to eliminate duplicates Z: 18 28.042 1.937 0.573 0.941 1.000 1.000 CA 1.549 18 residues pruned to eliminate duplicates Z: 27 21.892 1.621 0.671 0.892 1.000 0.769 CB 1.138 Z: 33 29.164 1.933 0.792 0.942 1.000 0.562 CB 1.032 33 residues pruned to eliminate duplicates Z: 31 35.492 1.961 0.798 0.950 0.967 0.800 CB 1.311 31 residues pruned to eliminate duplicates Z: 26 29.911 2.071 0.720 0.942 1.000 0.840 CB 1.165 26 residues pruned to eliminate duplicates Z: 28 26.697 1.816 0.498 0.913 1.000 0.815 CA 1.336 28 residues pruned to eliminate duplicates Z: 15 22.782 1.878 0.676 0.884 1.000 0.929 CA 1.398 15 residues pruned to eliminate duplicates Z: 26 21.428 1.663 0.825 0.890 0.960 0.640 CB 1.059 9 residues pruned to eliminate duplicates Z: 31 36.190 1.922 0.865 0.910 0.967 0.667 CB 1.352 31 residues pruned to eliminate duplicates Z: 27 42.301 2.053 0.861 0.927 1.000 0.731 CB 1.521 27 residues pruned to eliminate duplicates Z: 28 31.467 2.031 0.746 0.935 0.963 0.593 CB 1.236 28 residues pruned to eliminate duplicates Z: 21 26.173 1.833 0.749 0.894 0.950 0.600 CB 1.379 21 residues pruned to eliminate duplicates Z: 52 31.141 1.807 0.541 0.774 0.922 0.647 CB 1.334 55 residues pruned to eliminate duplicates Z: 30 50.705 2.138 0.963 0.935 1.000 0.759 CA 1.563 30 residues pruned to eliminate duplicates Z: 24 24.363 1.995 0.181 0.899 1.000 0.826 CB 1.540 24 residues pruned to eliminate duplicates Z: 29 53.056 2.184 1.067 0.942 1.000 0.964 CA 1.540 29 residues pruned to eliminate duplicates Z: 30 29.580 2.003 0.712 0.938 0.966 0.621 CB 1.154 30 residues pruned to eliminate duplicates Z: 37 44.858 2.020 0.756 0.894 0.972 0.722 CA 1.555 37 residues pruned to eliminate duplicates Z: 71 56.546 2.086 0.972 0.761 0.914 0.614 CB 1.425 71 residues pruned to eliminate duplicates Z: 30 39.566 2.109 0.654 0.921 1.000 0.931 CA 1.482 30 residues pruned to eliminate duplicates Z: 23 27.484 1.884 0.715 0.922 0.909 0.727 CB 1.402 23 residues pruned to eliminate duplicates Z: 16 23.814 2.011 0.737 0.849 0.933 0.600 CA 1.398 16 residues pruned to eliminate duplicates Z: 19 24.225 1.982 0.703 0.852 0.833 0.611 CB 1.502 19 residues pruned to eliminate duplicates Z: 31 33.810 1.946 0.710 0.917 0.967 0.833 CB 1.354 31 residues pruned to eliminate duplicates Z: 18 27.663 1.883 0.785 0.897 1.000 0.706 CB 1.429 23 residues pruned to eliminate duplicates Z: 17 25.265 1.783 0.923 0.812 0.938 0.438 CB 1.498 17 residues pruned to eliminate duplicates Z: 27 36.883 1.980 1.182 0.918 0.923 0.692 CB 1.280 27 residues pruned to eliminate duplicates Z: 19 19.470 1.692 0.773 0.899 0.944 0.667 CB 1.158 20 residues pruned to eliminate duplicates Z: 30 27.004 1.774 0.542 0.886 1.000 0.724 CB 1.322 30 residues pruned to eliminate duplicates Z: 37 42.841 1.986 0.798 0.900 0.944 0.861 CA 1.512 37 residues pruned to eliminate duplicates Z: 19 26.176 1.924 0.488 0.934 1.000 0.944 CB 1.503 19 residues pruned to eliminate duplicates Z: 38 52.164 1.977 1.060 0.935 0.973 0.757 CA 1.508 37 residues pruned to eliminate duplicates Z: 17 25.641 2.097 0.430 0.929 1.000 1.000 CB 1.496 17 residues pruned to eliminate duplicates Z: 29 32.510 1.943 0.679 0.866 1.000 0.714 CA 1.379 29 residues pruned to eliminate duplicates Z: 28 33.856 2.119 0.590 0.847 0.963 0.815 CA 1.491 28 residues pruned to eliminate duplicates Z: 23 19.522 1.756 0.596 0.906 1.000 0.818 CB 1.056 23 residues pruned to eliminate duplicates Z: 11 13.961 1.782 0.582 0.848 1.000 0.500 CB 1.161 10 residues pruned to eliminate duplicates Z: 18 28.312 1.896 0.874 0.887 1.000 0.647 CB 1.393 17 residues pruned to eliminate duplicates Z: 29 29.678 1.814 0.692 0.896 1.000 0.821 CA 1.310 28 residues pruned to eliminate duplicates Z: 28 32.050 1.877 0.825 0.918 0.963 0.593 CA 1.318 28 residues pruned to eliminate duplicates Z: 21 20.738 1.773 0.728 0.921 0.950 0.650 CB 1.121 20 residues pruned to eliminate duplicates Z: 28 31.133 1.860 0.602 0.911 1.000 0.815 CB 1.425 29 residues pruned to eliminate duplicates Z: 17 21.411 2.069 0.376 0.944 1.000 1.000 CA 1.301 17 residues pruned to eliminate duplicates Z: 21 33.296 1.987 0.780 0.873 1.000 0.800 CA 1.533 21 residues pruned to eliminate duplicates Z: 19 26.812 1.944 0.650 0.917 0.944 0.833 CB 1.473 19 residues pruned to eliminate duplicates Z: 28 26.221 1.789 0.752 0.879 0.889 0.593 CB 1.314 28 residues pruned to eliminate duplicates Z: 28 29.027 1.950 0.524 0.890 0.963 0.852 CA 1.405 28 residues pruned to eliminate duplicates Z: 20 15.177 1.699 0.426 0.875 1.000 0.737 CB 1.045 20 residues pruned to eliminate duplicates Z: 27 31.156 1.986 0.589 0.899 1.000 0.923 CA 1.384 27 residues pruned to eliminate duplicates Z: 29 28.268 1.816 0.580 0.910 1.000 0.929 CB 1.321 29 residues pruned to eliminate duplicates Z: 23 22.638 1.774 0.627 0.921 1.000 0.864 CB 1.178 22 residues pruned to eliminate duplicates Z: 32 19.838 1.559 0.644 0.840 0.903 0.677 CB 1.148 27 residues pruned to eliminate duplicates Z: 38 41.986 1.968 0.710 0.904 1.000 0.946 CA 1.462 38 residues pruned to eliminate duplicates Z: 29 33.110 1.908 0.896 0.879 0.964 0.500 CB 1.300 29 residues pruned to eliminate duplicates Z: 17 20.508 1.790 0.860 0.933 0.875 0.438 CB 1.228 18 residues pruned to eliminate duplicates Z: 44 25.680 1.738 0.626 0.704 0.907 0.535 CB 1.269 44 residues pruned to eliminate duplicates Z: 26 26.746 2.040 0.437 0.940 1.000 0.840 CB 1.267 26 residues pruned to eliminate duplicates Z: 10 17.328 1.657 0.837 0.893 1.000 0.667 CB 1.362 11 residues pruned to eliminate duplicates Z: 30 43.803 2.107 0.827 0.921 1.000 0.862 CA 1.487 30 residues pruned to eliminate duplicates Z: 30 29.577 1.919 0.509 0.870 1.000 0.862 CB 1.384 30 residues pruned to eliminate duplicates Z: 7 5.989 1.310 0.587 0.762 1.000 0.833 CA 0.932 7 residues pruned to eliminate duplicates Z: 36 29.796 2.048 0.409 0.942 0.971 0.886 CA 1.246 36 residues pruned to eliminate duplicates Z: 30 52.046 2.133 1.058 0.937 1.000 0.793 CB 1.532 30 residues pruned to eliminate duplicates Z: 25 27.472 1.808 0.711 0.922 0.917 0.750 CB 1.392 25 residues pruned to eliminate duplicates Z: 27 30.084 1.785 0.734 0.913 1.000 0.808 CB 1.348 27 residues pruned to eliminate duplicates Z: 17 18.256 2.071 0.300 0.927 0.938 0.875 CA 1.267 17 residues pruned to eliminate duplicates Z: 19 22.696 1.849 0.659 0.883 0.944 0.667 CA 1.336 19 residues pruned to eliminate duplicates Z: 38 38.429 1.994 0.592 0.923 1.000 0.892 CA 1.398 37 residues pruned to eliminate duplicates Z: 22 17.742 1.824 0.269 0.918 0.952 0.857 CA 1.239 22 residues pruned to eliminate duplicates Z: 19 29.013 1.912 0.672 0.923 1.000 0.889 CB 1.503 19 residues pruned to eliminate duplicates Z: 28 26.255 1.889 0.530 0.881 0.926 0.741 CA 1.367 28 residues pruned to eliminate duplicates Z: 27 24.899 2.057 0.695 0.930 0.962 0.692 CB 1.019 27 residues pruned to eliminate duplicates Z: 10 16.371 1.831 0.614 0.900 1.000 1.000 CB 1.319 10 residues pruned to eliminate duplicates Z: 9 6.604 1.720 0.304 0.302 0.875 0.750 N 1.482 9 residues pruned to eliminate duplicates Z: 34 29.820 1.878 0.590 0.901 0.970 0.818 CA 1.280 34 residues pruned to eliminate duplicates Z: 39 32.664 1.952 0.448 0.920 0.974 0.921 CA 1.356 39 residues pruned to eliminate duplicates Z: 28 29.885 1.822 0.675 0.912 1.000 0.778 CB 1.335 28 residues pruned to eliminate duplicates Z: 32 29.781 1.927 0.529 0.916 0.968 0.774 CB 1.325 32 residues pruned to eliminate duplicates Z: 15 24.835 2.111 0.357 0.922 1.000 0.929 CB 1.630 15 residues pruned to eliminate duplicates Z: 26 30.460 1.867 0.738 0.911 1.000 0.720 CB 1.331 26 residues pruned to eliminate duplicates Z: 27 26.086 1.990 0.446 0.889 0.923 0.769 CA 1.387 27 residues pruned to eliminate duplicates Z: 74 49.096 1.837 0.832 0.930 0.959 0.712 CB 1.245 75 residues pruned to eliminate duplicates Z: 30 37.871 2.024 0.590 0.946 1.000 0.966 CB 1.511 30 residues pruned to eliminate duplicates Z: 6 3.808 1.495 0.721 0.720 0.600 0.400 CB 0.904 Z: 23 20.924 1.879 0.159 0.924 1.000 0.955 CA 1.438 23 residues pruned to eliminate duplicates Z: 7 2.183 1.669 0.041 0.252 0.500 0.333 O 1.364 Z: 29 25.753 1.791 0.484 0.888 1.000 0.857 CB 1.319 29 residues pruned to eliminate duplicates Z: 17 14.419 1.772 0.450 0.640 0.812 0.750 CA 1.514 17 residues pruned to eliminate duplicates Z: 19 20.529 1.707 0.608 0.872 1.000 0.722 CB 1.284 24 residues pruned to eliminate duplicates Z: 18 27.542 1.916 0.870 0.871 1.000 0.529 CB 1.360 18 residues pruned to eliminate duplicates Z: 18 23.088 1.842 0.807 0.822 0.941 0.706 CB 1.351 18 residues pruned to eliminate duplicates Z: 7 7.149 1.919 0.125 0.598 1.000 0.833 CB 1.232 Z: 28 32.226 1.844 0.778 0.949 1.000 0.926 CB 1.306 28 residues pruned to eliminate duplicates Z: 20 26.772 2.030 0.539 0.883 1.000 0.842 CA 1.422 20 residues pruned to eliminate duplicates Z: 38 38.921 1.983 0.628 0.914 1.000 0.865 CA 1.402 38 residues pruned to eliminate duplicates Z: 23 22.902 1.755 0.718 0.944 1.000 0.818 CB 1.122 23 residues pruned to eliminate duplicates Z: 15 19.041 2.119 0.283 0.879 1.000 0.786 CA 1.357 15 residues pruned to eliminate duplicates Z: 20 13.261 1.696 0.361 0.852 0.947 0.632 CB 1.029 20 residues pruned to eliminate duplicates Z: 13 11.897 1.834 0.291 0.833 1.000 0.667 CB 1.088 13 residues pruned to eliminate duplicates Z: 24 23.611 1.909 0.560 0.875 0.913 0.435 CB 1.317 24 residues pruned to eliminate duplicates Z: 30 38.378 2.016 0.698 0.919 1.000 0.793 CB 1.467 30 residues pruned to eliminate duplicates Z: 35 33.003 2.130 0.383 0.927 0.971 0.912 CA 1.387 35 residues pruned to eliminate duplicates Z: 29 23.704 1.782 0.318 0.901 1.000 0.821 CB 1.362 29 residues pruned to eliminate duplicates Z: 25 37.487 2.194 0.715 0.948 0.958 0.792 CA 1.465 25 residues pruned to eliminate duplicates Z: 28 28.214 1.942 0.324 0.938 1.000 0.926 CA 1.468 28 residues pruned to eliminate duplicates Z: 12 14.225 1.805 0.574 0.851 1.000 0.909 CA 1.117 12 residues pruned to eliminate duplicates Z: 28 23.956 1.909 0.335 0.927 1.000 0.926 CA 1.268 28 residues pruned to eliminate duplicates Z: 28 33.938 1.852 0.877 0.955 1.000 0.741 CB 1.292 29 residues pruned to eliminate duplicates Z: 21 19.451 1.786 0.494 0.880 0.900 0.600 CA 1.312 21 residues pruned to eliminate duplicates Z: 13 13.398 1.520 0.825 0.859 0.917 0.667 CB 1.119 Z: 8 2.022 1.790 0.392 0.517 0.714 0.286 CB 0.422 Z: 25 28.910 1.924 0.695 0.832 1.000 0.792 CA 1.359 25 residues pruned to eliminate duplicates Z: 18 29.454 1.937 0.754 0.929 1.000 0.706 CB 1.471 18 residues pruned to eliminate duplicates Z: 12 20.852 1.930 1.015 0.918 0.909 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 17 13.228 1.744 0.127 0.935 1.000 0.750 CA 1.173 17 residues pruned to eliminate duplicates Z: 27 35.267 2.040 0.607 0.901 1.000 0.885 CA 1.506 27 residues pruned to eliminate duplicates Z: 16 26.609 2.057 0.735 0.871 0.933 0.533 CB 1.504 16 residues pruned to eliminate duplicates Z: 26 26.640 2.021 0.586 0.921 1.000 0.720 CB 1.170 26 residues pruned to eliminate duplicates Z: 18 32.897 2.061 1.019 0.945 1.000 0.588 CB 1.328 18 residues pruned to eliminate duplicates Z: 21 19.932 1.744 0.561 0.928 1.000 0.800 CB 1.147 21 residues pruned to eliminate duplicates Z: 32 27.570 1.805 0.312 0.912 1.000 0.871 CB 1.481 32 residues pruned to eliminate duplicates Z: 27 24.850 1.815 0.404 0.890 0.962 0.885 CB 1.430 27 residues pruned to eliminate duplicates Z: 30 38.319 2.131 0.596 0.929 1.000 0.897 CA 1.463 30 residues pruned to eliminate duplicates Z: 15 14.697 1.726 0.839 0.804 0.857 0.571 CB 1.107 15 residues pruned to eliminate duplicates Z: 22 19.137 1.807 0.326 0.928 1.000 0.857 CA 1.220 22 residues pruned to eliminate duplicates Z: 36 28.274 1.758 0.444 0.898 0.971 0.800 CB 1.387 36 residues pruned to eliminate duplicates Z: 38 47.591 1.941 0.987 0.903 1.000 0.730 CB 1.446 38 residues pruned to eliminate duplicates Z: 41 29.927 1.828 0.481 0.879 0.975 0.775 CB 1.300 41 residues pruned to eliminate duplicates Z: 23 17.076 1.752 0.321 0.897 0.955 0.909 CA 1.180 23 residues pruned to eliminate duplicates Z: 23 19.441 1.736 0.540 0.912 0.909 0.636 CA 1.208 23 residues pruned to eliminate duplicates Z: 24 30.177 2.002 0.647 0.872 1.000 0.870 CB 1.390 24 residues pruned to eliminate duplicates Z: 19 20.889 1.936 0.553 0.907 0.889 0.722 CB 1.309 19 residues pruned to eliminate duplicates Z: 20 26.397 1.899 0.908 0.888 0.947 0.579 CB 1.271 20 residues pruned to eliminate duplicates Z: 9 9.147 1.511 0.514 0.844 0.875 0.500 CB 1.202 Z: 36 27.261 1.709 0.531 0.888 1.000 0.686 CB 1.269 36 residues pruned to eliminate duplicates Z: 11 13.990 1.542 0.909 0.760 1.000 0.800 CA 1.193 11 residues pruned to eliminate duplicates Z: 21 27.325 1.985 0.706 0.815 0.900 0.700 CB 1.524 21 residues pruned to eliminate duplicates Z: 31 25.331 1.815 0.451 0.884 0.933 0.667 CB 1.360 31 residues pruned to eliminate duplicates Z: 38 45.218 1.969 0.783 0.920 1.000 0.811 CA 1.491 39 residues pruned to eliminate duplicates Z: 31 32.349 1.916 0.666 0.914 1.000 0.800 CB 1.309 31 residues pruned to eliminate duplicates Z: 37 42.929 2.018 0.814 0.897 0.972 0.722 CA 1.439 37 residues pruned to eliminate duplicates Z: 26 36.787 2.042 0.691 0.925 0.960 0.760 CA 1.558 28 residues pruned to eliminate duplicates Z: 28 35.467 2.006 0.783 0.930 0.963 0.741 CB 1.386 28 residues pruned to eliminate duplicates Z: 32 30.410 1.910 0.766 0.953 0.968 0.677 CB 1.152 32 residues pruned to eliminate duplicates Z: 23 15.037 1.756 0.469 0.767 0.955 0.818 CB 1.028 23 residues pruned to eliminate duplicates Z: 21 22.175 1.829 0.474 0.942 1.000 0.800 CA 1.275 21 residues pruned to eliminate duplicates 6 1.369 1.538 1.013 0.313 0.600 0.400 CB 0.405 ? Z: 13 16.636 1.900 0.333 0.937 0.917 0.917 CB 1.439 13 residues pruned to eliminate duplicates Z: 36 34.321 1.978 0.564 0.915 0.971 0.714 CA 1.364 36 residues pruned to eliminate duplicates Z: 32 33.816 1.930 0.812 0.920 1.000 0.774 CB 1.223 32 residues pruned to eliminate duplicates Z: 27 23.953 1.970 0.392 0.878 0.923 0.846 CA 1.347 27 residues pruned to eliminate duplicates Z: 23 19.525 1.780 0.447 0.904 0.955 0.773 CA 1.205 23 residues pruned to eliminate duplicates Z: 22 19.332 1.813 0.352 0.941 1.000 0.810 CA 1.195 22 residues pruned to eliminate duplicates Z: 34 25.130 1.858 0.812 0.915 0.909 0.606 CB 1.010 34 residues pruned to eliminate duplicates Z: 28 42.080 1.948 1.270 0.950 1.000 0.815 CB 1.263 27 residues pruned to eliminate duplicates Z: 19 20.952 1.792 0.535 0.909 0.944 0.833 CB 1.349 19 residues pruned to eliminate duplicates Z: 37 31.690 1.964 0.455 0.937 1.000 0.917 CA 1.287 37 residues pruned to eliminate duplicates Z: 34 26.361 1.751 0.497 0.897 0.970 0.788 CB 1.292 34 residues pruned to eliminate duplicates Z: 10 14.192 1.756 0.807 0.903 0.889 0.889 CB 1.196 10 residues pruned to eliminate duplicates Z: 37 28.729 1.773 0.480 0.914 0.944 0.833 CB 1.367 37 residues pruned to eliminate duplicates Z: 27 29.183 1.868 0.475 0.949 1.000 1.000 CB 1.434 27 residues pruned to eliminate duplicates Z: 54 45.745 2.125 0.615 0.756 0.943 0.811 CB 1.545 54 residues pruned to eliminate duplicates Z: 21 19.614 1.717 0.700 0.922 0.800 0.500 CB 1.320 21 residues pruned to eliminate duplicates Z: 9 7.822 1.727 -0.130 0.908 1.000 1.000 CB 1.308 9 residues pruned to eliminate duplicates Z: 10 12.532 1.478 0.810 0.897 0.889 0.778 O 1.258 10 residues pruned to eliminate duplicates Z: 26 20.444 1.644 0.393 0.909 1.000 0.960 CB 1.268 26 residues pruned to eliminate duplicates Z: 29 27.949 1.808 0.677 0.906 0.964 0.643 CB 1.285 29 residues pruned to eliminate duplicates Z: 24 31.399 2.105 0.741 0.950 1.000 0.783 CB 1.232 24 residues pruned to eliminate duplicates Z: 8 4.020 1.420 0.235 0.548 0.714 0.429 N 1.158 Z: 20 19.830 1.734 0.683 0.915 0.895 0.526 CB 1.232 20 residues pruned to eliminate duplicates Z: 11 16.158 1.523 1.026 0.911 1.000 0.500 CB 1.174 6 residues pruned to eliminate duplicates Z: 28 18.928 1.729 0.723 0.528 0.815 0.444 CA 1.459 15 residues pruned to eliminate duplicates Z: 22 32.767 1.944 0.841 0.929 1.000 0.762 CA 1.399 22 residues pruned to eliminate duplicates Z: 22 14.965 1.601 0.560 0.900 0.857 0.429 CB 1.090 22 residues pruned to eliminate duplicates Z: 19 22.291 1.877 1.045 0.556 0.944 0.667 CB 1.372 19 residues pruned to eliminate duplicates Z: 17 24.033 2.089 0.654 0.933 1.000 0.812 CB 1.214 17 residues pruned to eliminate duplicates Z: 10 4.320 1.533 0.100 0.442 0.778 0.444 CB 1.165 Z: 37 48.403 1.982 0.902 0.917 1.000 0.833 CA 1.510 37 residues pruned to eliminate duplicates Z: 15 10.811 1.434 0.581 0.840 0.857 0.786 CB 1.109 15 residues pruned to eliminate duplicates Z: 30 32.980 1.913 0.683 0.885 0.931 0.828 CB 1.475 30 residues pruned to eliminate duplicates Z: 37 24.397 1.768 0.285 0.869 0.972 0.722 CB 1.345 37 residues pruned to eliminate duplicates Z: 38 39.236 1.975 0.635 0.900 0.973 0.757 CA 1.466 38 residues pruned to eliminate duplicates Z: 37 28.205 1.781 0.479 0.856 0.972 0.611 CB 1.353 37 residues pruned to eliminate duplicates Z: 39 36.682 1.946 0.559 0.915 0.974 0.921 CA 1.424 39 residues pruned to eliminate duplicates Z: 29 34.404 1.987 0.785 0.853 0.929 0.786 CA 1.459 29 residues pruned to eliminate duplicates Z: 19 15.300 1.664 0.456 0.884 0.944 0.722 CB 1.139 19 residues pruned to eliminate duplicates Z: 12 8.207 1.339 0.444 0.815 0.909 0.636 N 1.071 9 residues pruned to eliminate duplicates Z: 21 36.309 1.980 0.985 0.870 0.950 0.800 CA 1.587 21 residues pruned to eliminate duplicates Z: 22 17.217 1.730 0.550 0.939 0.857 0.762 CB 1.136 22 residues pruned to eliminate duplicates Z: 14 15.839 1.898 0.868 0.709 0.846 0.769 CB 1.212 14 residues pruned to eliminate duplicates Z: 24 19.469 1.651 0.577 0.848 0.913 0.826 CB 1.267 24 residues pruned to eliminate duplicates Z: 17 19.906 1.890 0.582 0.916 1.000 0.812 CB 1.176 17 residues pruned to eliminate duplicates Z: 29 32.834 1.971 0.647 0.869 0.964 0.571 CB 1.448 29 residues pruned to eliminate duplicates Z: 23 19.716 1.708 0.441 0.881 1.000 0.727 CB 1.236 23 residues pruned to eliminate duplicates Z: 11 2.460 1.529 0.055 0.249 0.700 0.400 N 0.920 11 residues pruned to eliminate duplicates Z: 13 13.629 1.485 0.681 0.912 1.000 0.750 CB 1.117 13 residues pruned to eliminate duplicates Z: 26 36.991 2.028 1.074 0.908 0.960 0.280 CB 1.301 26 residues pruned to eliminate duplicates Z: 20 24.475 1.716 1.031 0.923 1.000 0.579 CB 1.132 21 residues pruned to eliminate duplicates Z: 28 38.234 1.982 0.803 0.936 0.963 0.741 CA 1.489 28 residues pruned to eliminate duplicates Z: 28 28.465 1.834 0.559 0.939 1.000 0.778 CB 1.332 28 residues pruned to eliminate duplicates Z: 27 19.992 1.638 0.344 0.875 1.000 0.923 CB 1.295 27 residues pruned to eliminate duplicates Z: 41 34.000 2.009 0.792 0.693 0.925 0.700 CB 1.352 41 residues pruned to eliminate duplicates Z: 7 4.054 1.266 0.521 0.846 1.000 0.833 CB 0.638 7 residues pruned to eliminate duplicates Z: 29 19.241 1.859 0.521 0.751 0.893 0.714 CB 1.151 29 residues pruned to eliminate duplicates Z: 24 17.607 1.478 0.438 0.901 0.957 0.696 CB 1.289 12 residues pruned to eliminate duplicates Z: 6 8.023 1.703 0.527 0.660 1.000 0.600 CB 1.189 6 residues pruned to eliminate duplicates Z: 19 16.787 1.814 0.331 0.849 1.000 0.722 CB 1.214 19 residues pruned to eliminate duplicates Z: 7 4.214 1.643 0.075 0.514 0.667 0.667 O 1.441 4 residues pruned to eliminate duplicates Z: 23 19.507 1.779 0.454 0.932 0.955 0.818 CA 1.176 23 residues pruned to eliminate duplicates Z: 27 14.306 1.425 0.564 0.875 0.962 0.808 CB 0.952 24 residues pruned to eliminate duplicates Z: 36 27.800 1.777 0.306 0.901 1.000 0.943 CB 1.445 36 residues pruned to eliminate duplicates Z: 38 36.360 2.001 0.595 0.906 1.000 0.892 CA 1.332 38 residues pruned to eliminate duplicates Z: 12 9.769 1.472 0.148 0.910 1.000 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 39 42.747 1.952 0.763 0.898 0.974 0.763 CB 1.480 39 residues pruned to eliminate duplicates Z: 6 4.344 1.350 0.490 0.437 1.000 0.600 N 1.029 Z: 6 2.317 1.437 0.486 0.438 0.800 0.600 CB 0.646 Z: 23 29.730 1.929 0.806 0.878 0.955 0.682 CA 1.383 23 residues pruned to eliminate duplicates Z: 9 5.089 1.661 0.587 0.760 1.000 0.875 CB 0.542 Z: 15 15.882 1.725 0.629 0.904 1.000 0.571 CB 1.076 14 residues pruned to eliminate duplicates Z: 39 44.827 1.936 0.887 0.919 1.000 0.816 CA 1.403 39 residues pruned to eliminate duplicates Z: 11 9.103 1.427 0.786 0.804 0.900 0.500 CB 0.962 11 residues pruned to eliminate duplicates Z: 31 25.642 1.733 0.393 0.928 0.933 0.800 CB 1.455 31 residues pruned to eliminate duplicates Z: 18 31.728 2.030 0.910 0.830 1.000 0.765 CA 1.492 18 residues pruned to eliminate duplicates Z: 37 31.202 1.784 0.560 0.912 1.000 0.806 CB 1.323 37 residues pruned to eliminate duplicates Z: 14 11.772 1.783 0.075 0.932 1.000 1.000 CA 1.190 14 residues pruned to eliminate duplicates Z: 26 9.194 1.743 0.406 0.350 0.800 0.400 CB 1.103 26 residues pruned to eliminate duplicates Z: 16 11.025 1.812 0.169 0.862 0.933 0.867 CA 1.057 16 residues pruned to eliminate duplicates Z: 20 20.657 2.107 0.149 0.931 1.000 0.947 CB 1.368 20 residues pruned to eliminate duplicates Z: 21 26.478 1.824 0.828 0.881 0.950 0.650 CB 1.354 21 residues pruned to eliminate duplicates Z: 24 21.576 1.609 0.616 0.854 1.000 0.739 CB 1.278 24 residues pruned to eliminate duplicates Z: 28 31.900 1.856 0.590 0.944 1.000 0.889 CA 1.441 28 residues pruned to eliminate duplicates Z: 23 18.141 1.707 0.732 0.814 0.773 0.455 N 1.289 23 residues pruned to eliminate duplicates Z: 19 19.744 1.882 0.479 0.757 0.944 0.722 CB 1.408 19 residues pruned to eliminate duplicates Z: 36 26.044 1.747 0.502 0.910 0.943 0.800 CB 1.262 36 residues pruned to eliminate duplicates Z: 6 4.342 1.344 0.772 0.785 0.800 0.600 CB 0.793 Z: 29 27.495 1.939 0.906 0.879 0.821 0.321 CB 1.241 29 residues pruned to eliminate duplicates Z: 9 3.957 1.473 0.483 0.264 0.875 0.625 CB 0.958 Z: 18 24.614 2.009 0.431 0.926 1.000 0.824 CA 1.456 18 residues pruned to eliminate duplicates Z: 9 9.651 1.687 0.626 0.829 0.875 0.750 CA 1.070 8 residues pruned to eliminate duplicates Z: 24 25.087 1.689 0.857 0.859 1.000 0.522 CB 1.227 24 residues pruned to eliminate duplicates Z: 26 18.516 1.619 0.472 0.855 0.960 0.760 CB 1.194 26 residues pruned to eliminate duplicates Z: 24 43.096 2.008 1.050 0.942 1.000 0.696 CA 1.513 37 residues pruned to eliminate duplicates Z: 35 26.993 1.771 0.335 0.879 1.000 0.794 CB 1.420 35 residues pruned to eliminate duplicates Z: 7 2.190 1.439 0.012 0.459 0.833 0.500 CB 0.768 Z: 22 23.164 1.741 0.814 0.890 0.952 0.476 CB 1.208 22 residues pruned to eliminate duplicates Z: 30 19.338 1.814 0.421 0.670 0.862 0.724 CB 1.380 30 residues pruned to eliminate duplicates Z: 22 24.707 1.779 0.633 0.895 0.952 0.762 CB 1.397 22 residues pruned to eliminate duplicates Z: 8 3.208 1.471 0.264 0.381 0.857 0.571 CB 0.863 Z: 21 25.560 1.903 0.912 0.858 0.900 0.600 CB 1.285 21 residues pruned to eliminate duplicates Z: 25 16.401 1.651 0.486 0.670 0.917 0.667 CB 1.273 25 residues pruned to eliminate duplicates Z: 35 31.825 2.075 0.512 0.949 0.971 0.882 CA 1.238 35 residues pruned to eliminate duplicates Z: 61 47.764 2.106 0.728 0.739 0.967 0.733 CB 1.414 61 residues pruned to eliminate duplicates Z: 14 12.164 1.418 0.638 0.878 0.923 0.462 CB 1.141 13 residues pruned to eliminate duplicates Z: 7 3.997 1.554 0.134 0.394 1.000 0.500 CA 1.035 Z: 28 34.557 1.982 0.878 0.876 0.889 0.630 CA 1.461 28 residues pruned to eliminate duplicates Z: 23 21.127 1.778 0.403 0.906 0.955 0.955 CA 1.345 23 residues pruned to eliminate duplicates Z: 6 3.419 1.295 0.511 0.531 0.800 0.600 O 0.947 Z: 6 5.707 1.435 0.391 0.669 1.000 0.800 CB 1.094 Z: 6 2.141 1.408 0.374 0.290 0.600 0.600 CB 1.044 Z: 28 36.161 1.962 0.791 0.905 0.926 0.593 CB 1.522 28 residues pruned to eliminate duplicates Z: 27 28.481 1.828 0.619 0.907 1.000 0.769 CA 1.342 27 residues pruned to eliminate duplicates Z: 8 3.650 1.553 0.618 0.212 0.857 0.429 CB 0.900 Z: 27 27.800 1.936 0.347 0.922 1.000 1.000 CA 1.470 27 residues pruned to eliminate duplicates Z: 25 20.103 1.677 0.467 0.852 0.958 0.750 CB 1.286 25 residues pruned to eliminate duplicates Z: 9 2.177 1.394 0.253 0.144 0.750 0.375 CB 0.913 Z: 6 3.222 1.480 0.239 0.283 1.000 0.600 CB 1.004 Z: 8 3.776 1.700 -0.012 0.607 0.857 0.857 CB 0.896 8 residues pruned to eliminate duplicates Z: 9 4.206 1.392 0.546 0.279 1.000 0.375 CB 0.887 Z: 27 31.548 1.838 0.864 0.830 0.962 0.846 CB 1.412 26 residues pruned to eliminate duplicates 6 1.451 1.054 0.845 0.291 0.600 0.400 N 0.703 ? Z: 30 26.894 1.984 0.778 0.765 0.931 0.552 CB 1.203 30 residues pruned to eliminate duplicates Z: 36 29.182 1.760 0.412 0.906 0.971 0.914 CB 1.454 36 residues pruned to eliminate duplicates Z: 36 36.607 1.864 0.779 0.904 0.971 0.800 CA 1.369 36 residues pruned to eliminate duplicates Z: 53 41.813 1.996 0.674 0.747 0.962 0.769 CA 1.447 53 residues pruned to eliminate duplicates Z: 27 40.726 2.012 0.919 0.929 0.962 0.615 CB 1.505 27 residues pruned to eliminate duplicates Z: 73 58.492 2.104 0.794 0.810 0.972 0.681 CB 1.434 111 residues pruned to eliminate duplicates Z: 10 9.730 1.622 0.703 0.687 0.889 0.778 CA 1.113 10 residues pruned to eliminate duplicates Z: 37 42.257 2.040 0.770 0.952 0.972 0.833 CB 1.381 37 residues pruned to eliminate duplicates Z: 17 18.618 1.790 0.717 0.893 0.875 0.750 CB 1.243 Z: 8 6.721 1.903 0.575 0.343 0.857 0.857 CB 1.173 8 residues pruned to eliminate duplicates Z: 16 13.392 1.652 0.726 0.767 0.867 0.533 CB 1.104 16 residues pruned to eliminate duplicates Z: 8 6.168 1.460 0.278 0.650 0.857 0.429 N 1.268 Z: 31 20.337 1.751 0.659 0.626 0.900 0.500 CB 1.261 31 residues pruned to eliminate duplicates 7 1.712 1.152 0.137 0.095 1.000 0.833 CB 0.896 ? Z: 18 12.883 1.552 0.378 0.882 0.941 0.765 CB 1.124 18 residues pruned to eliminate duplicates Z: 15 14.746 1.753 0.283 0.860 1.000 0.786 CB 1.289 15 residues pruned to eliminate duplicates Z: 13 15.273 1.691 0.589 0.891 1.000 0.667 CB 1.180 13 residues pruned to eliminate duplicates Z: 18 25.099 2.065 0.777 0.856 0.882 0.647 CB 1.386 18 residues pruned to eliminate duplicates Z: 13 12.239 1.464 0.415 0.910 1.000 0.833 N 1.209 13 residues pruned to eliminate duplicates Z: 17 12.822 1.812 0.104 0.898 0.938 0.812 CB 1.222 Z: 10 8.810 1.400 0.570 0.907 1.000 0.778 CA 0.950 Z: 6 2.149 1.290 0.184 0.342 0.800 0.400 N 0.934 Z: 22 17.068 1.812 0.167 0.937 1.000 0.857 CA 1.225 22 residues pruned to eliminate duplicates Z: 8 3.356 1.408 0.087 0.557 0.857 0.571 CB 0.914 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 26 27.205 1.943 0.562 0.849 0.920 0.720 CB 1.445 26 residues pruned to eliminate duplicates Z: 41 43.067 1.980 0.872 0.802 0.925 0.575 CB 1.526 40 residues pruned to eliminate duplicates Z: 28 35.534 1.991 0.677 0.926 1.000 0.815 CB 1.437 28 residues pruned to eliminate duplicates Z: 35 37.566 1.999 0.866 0.749 0.941 0.794 CB 1.469 35 residues pruned to eliminate duplicates Z: 19 26.019 1.993 0.700 0.791 0.944 0.722 CB 1.485 19 residues pruned to eliminate duplicates Z: 50 40.878 1.927 0.739 0.771 0.939 0.694 CA 1.460 25 residues pruned to eliminate duplicates Z: 24 39.045 2.096 0.712 0.920 1.000 0.783 CB 1.598 24 residues pruned to eliminate duplicates Z: 18 22.655 2.033 0.720 0.812 0.882 0.647 CB 1.357 18 residues pruned to eliminate duplicates Z: 30 33.013 1.957 0.840 0.737 0.931 0.517 CB 1.479 30 residues pruned to eliminate duplicates Z: 53 48.269 1.973 0.950 0.818 0.904 0.615 CB 1.461 53 residues pruned to eliminate duplicates Z: 52 52.865 2.016 0.908 0.843 0.961 0.706 CB 1.492 35 residues pruned to eliminate duplicates Z: 28 37.369 2.004 0.719 0.910 1.000 0.815 CB 1.481 22 residues pruned to eliminate duplicates Z: 23 40.034 2.117 0.930 0.912 0.955 0.773 CB 1.550 28 residues pruned to eliminate duplicates Z: 29 42.805 1.986 1.011 0.917 1.000 0.857 CB 1.429 23 residues pruned to eliminate duplicates Z: 24 38.817 2.056 0.812 0.928 1.000 0.696 CB 1.521 24 residues pruned to eliminate duplicates Z: 52 56.330 2.014 1.004 0.874 0.941 0.686 CB 1.512 52 residues pruned to eliminate duplicates Z: 23 36.531 2.096 0.882 0.930 0.955 0.818 CB 1.447 23 residues pruned to eliminate duplicates Z: 25 35.809 2.029 0.906 0.865 0.958 0.750 CB 1.445 25 residues pruned to eliminate duplicates Z: 52 48.800 1.983 0.965 0.836 0.941 0.490 CB 1.395 52 residues pruned to eliminate duplicates Z: 23 37.418 2.117 0.960 0.935 0.909 0.773 CB 1.473 23 residues pruned to eliminate duplicates Z: 52 52.873 1.977 1.082 0.855 0.961 0.667 CB 1.382 52 residues pruned to eliminate duplicates Z: 23 27.810 2.091 0.743 0.894 0.864 0.591 CB 1.351 23 residues pruned to eliminate duplicates Z: 20 30.654 2.077 0.754 0.846 0.947 0.632 CB 1.515 20 residues pruned to eliminate duplicates Z: 9 12.982 1.919 0.349 0.740 1.000 0.625 CB 1.429 9 residues pruned to eliminate duplicates Z: 35 31.564 1.867 0.897 0.794 0.941 0.471 CB 1.256 35 residues pruned to eliminate duplicates Z: 14 10.777 1.801 0.247 0.708 0.923 0.615 CA 1.194 13 residues pruned to eliminate duplicates Z: 28 32.286 1.970 0.702 0.919 0.926 0.852 CA 1.410 28 residues pruned to eliminate duplicates Z: 27 18.123 1.893 0.412 0.723 0.923 0.731 CA 1.178 27 residues pruned to eliminate duplicates Z: 32 30.527 1.967 0.703 0.775 0.871 0.710 CA 1.474 32 residues pruned to eliminate duplicates Z: 27 35.946 2.017 0.679 0.905 1.000 0.846 CA 1.482 27 residues pruned to eliminate duplicates Z: 35 31.558 1.939 0.630 0.752 0.971 0.706 CA 1.410 35 residues pruned to eliminate duplicates Z: 33 27.811 1.856 0.749 0.772 0.906 0.750 CA 1.313 33 residues pruned to eliminate duplicates Z: 27 37.504 2.034 0.778 0.901 0.962 0.731 CA 1.510 27 residues pruned to eliminate duplicates Z: 31 31.189 1.958 0.645 0.815 0.933 0.700 CA 1.440 31 residues pruned to eliminate duplicates Z: 46 34.391 1.924 0.687 0.710 0.911 0.689 CA 1.433 46 residues pruned to eliminate duplicates Z: 30 35.770 1.966 0.765 0.845 0.966 0.759 CA 1.474 30 residues pruned to eliminate duplicates Z: 27 36.980 2.027 0.891 0.902 0.923 0.769 CA 1.462 27 residues pruned to eliminate duplicates Z: 30 30.731 1.931 0.784 0.822 0.931 0.828 CA 1.346 30 residues pruned to eliminate duplicates Z: 36 33.532 1.925 0.664 0.758 0.971 0.800 CA 1.448 36 residues pruned to eliminate duplicates Z: 28 37.367 1.988 0.817 0.938 0.963 0.852 CA 1.438 30 residues pruned to eliminate duplicates Z: 27 40.759 2.019 0.838 0.932 0.962 0.808 CA 1.565 27 residues pruned to eliminate duplicates Z: 35 33.159 1.912 0.786 0.737 0.882 0.676 CA 1.526 35 residues pruned to eliminate duplicates Z: 34 34.607 1.976 0.657 0.782 0.970 0.697 CA 1.480 34 residues pruned to eliminate duplicates Z: 27 35.710 1.981 0.857 0.895 0.923 0.692 CB 1.478 27 residues pruned to eliminate duplicates Z: 28 33.282 2.014 0.742 0.871 0.963 0.778 CA 1.382 28 residues pruned to eliminate duplicates Z: 29 36.803 1.973 0.823 0.838 0.964 0.786 CA 1.498 29 residues pruned to eliminate duplicates Z: 34 34.894 1.938 0.739 0.751 0.970 0.727 CA 1.485 34 residues pruned to eliminate duplicates Z: 31 35.197 1.898 0.864 0.802 0.967 0.533 CA 1.443 31 residues pruned to eliminate duplicates Z: 31 34.135 1.899 0.871 0.835 0.933 0.633 CA 1.409 31 residues pruned to eliminate duplicates Z: 41 42.398 1.942 0.822 0.813 0.950 0.600 CB 1.519 41 residues pruned to eliminate duplicates Z: 35 29.621 1.775 0.424 0.914 1.000 0.824 CB 1.421 35 residues pruned to eliminate duplicates Z: 31 28.161 1.774 0.569 0.845 0.967 0.700 CB 1.420 31 residues pruned to eliminate duplicates Z: 38 27.643 1.794 0.458 0.818 0.946 0.649 CB 1.393 38 residues pruned to eliminate duplicates Z: 32 27.032 1.745 0.549 0.843 0.935 0.871 CB 1.429 32 residues pruned to eliminate duplicates Z: 47 33.083 1.817 0.489 0.795 0.957 0.783 CB 1.455 47 residues pruned to eliminate duplicates Z: 37 27.167 1.769 0.417 0.890 0.944 0.750 CB 1.376 37 residues pruned to eliminate duplicates Z: 27 23.095 1.656 0.545 0.812 0.962 0.654 CB 1.403 27 residues pruned to eliminate duplicates Z: 35 26.327 1.762 0.461 0.878 0.941 0.853 CB 1.352 35 residues pruned to eliminate duplicates Z: 31 29.945 1.773 0.634 0.837 1.000 0.667 CA 1.411 31 residues pruned to eliminate duplicates Z: 37 26.728 1.749 0.308 0.887 1.000 0.778 CB 1.404 37 residues pruned to eliminate duplicates Z: 59 33.404 1.861 0.427 0.789 0.948 0.707 CB 1.352 59 residues pruned to eliminate duplicates Z: 30 29.144 1.769 0.622 0.916 0.931 0.759 CB 1.431 30 residues pruned to eliminate duplicates Z: 29 31.014 1.788 0.628 0.944 1.000 0.714 CB 1.395 30 residues pruned to eliminate duplicates Z: 27 25.092 1.737 0.497 0.925 1.000 0.500 CB 1.328 27 residues pruned to eliminate duplicates Z: 43 28.645 1.901 0.468 0.758 0.881 0.786 CB 1.429 43 residues pruned to eliminate duplicates Z: 48 32.571 1.963 0.397 0.841 0.957 0.787 CB 1.349 48 residues pruned to eliminate duplicates Z: 45 31.358 1.883 0.444 0.750 0.955 0.682 CB 1.457 45 residues pruned to eliminate duplicates Z: 44 26.051 1.887 0.331 0.722 0.953 0.721 CB 1.358 44 residues pruned to eliminate duplicates Z: 38 32.719 1.997 0.456 0.766 0.973 0.703 CA 1.502 38 residues pruned to eliminate duplicates Z: 19 22.493 1.887 0.607 0.761 0.944 0.667 CB 1.468 19 residues pruned to eliminate duplicates Z: 23 20.345 1.821 0.565 0.735 0.909 0.545 CB 1.356 23 residues pruned to eliminate duplicates Z: 51 32.192 1.935 0.536 0.744 0.960 0.660 CB 1.283 51 residues pruned to eliminate duplicates Z: 51 33.289 1.919 0.586 0.798 0.940 0.680 CB 1.268 51 residues pruned to eliminate duplicates Z: 30 21.074 1.710 0.608 0.783 0.897 0.414 CB 1.238 29 residues pruned to eliminate duplicates Z: 37 35.166 1.794 0.669 0.914 1.000 0.639 CB 1.384 37 residues pruned to eliminate duplicates Z: 27 23.824 1.714 0.709 0.841 1.000 0.615 CB 1.190 27 residues pruned to eliminate duplicates Z: 25 21.296 1.774 0.629 0.760 0.875 0.500 CB 1.365 25 residues pruned to eliminate duplicates Z: 26 18.768 1.769 0.666 0.763 0.840 0.360 CB 1.200 26 residues pruned to eliminate duplicates Z: 55 35.928 1.872 0.448 0.851 0.981 0.685 CB 1.360 55 residues pruned to eliminate duplicates Z: 46 32.587 1.929 0.472 0.833 0.956 0.733 CB 1.344 46 residues pruned to eliminate duplicates Z: 53 37.875 1.980 0.513 0.878 0.942 0.827 CB 1.351 53 residues pruned to eliminate duplicates Z: 50 31.927 1.938 0.418 0.765 0.959 0.735 CB 1.368 50 residues pruned to eliminate duplicates Z: 46 40.868 2.008 0.588 0.864 1.000 0.733 CB 1.401 46 residues pruned to eliminate duplicates Z: 59 34.026 1.872 0.601 0.799 0.914 0.638 CB 1.256 59 residues pruned to eliminate duplicates Z: 43 33.808 1.971 0.501 0.811 0.952 0.667 CB 1.413 43 residues pruned to eliminate duplicates Z: 38 28.904 1.941 0.508 0.688 0.946 0.649 CB 1.444 38 residues pruned to eliminate duplicates Z: 28 23.283 2.031 0.382 0.757 0.926 0.778 CB 1.372 28 residues pruned to eliminate duplicates Z: 47 37.733 2.003 0.513 0.851 1.000 0.761 CB 1.359 47 residues pruned to eliminate duplicates Z: 43 34.475 1.952 0.611 0.805 0.952 0.667 CB 1.360 43 residues pruned to eliminate duplicates Z: 42 26.707 1.829 0.522 0.694 0.927 0.537 CB 1.354 42 residues pruned to eliminate duplicates Z: 35 28.159 1.909 0.514 0.739 0.941 0.735 CB 1.433 35 residues pruned to eliminate duplicates Z: 25 18.077 1.998 0.321 0.680 0.917 0.667 CB 1.292 25 residues pruned to eliminate duplicates Z: 47 31.828 1.947 0.500 0.781 0.935 0.674 CB 1.341 47 residues pruned to eliminate duplicates Z: 48 33.876 1.945 0.580 0.807 0.936 0.617 CB 1.315 48 residues pruned to eliminate duplicates Z: 57 34.082 1.876 0.741 0.814 0.911 0.411 CB 1.165 57 residues pruned to eliminate duplicates Z: 53 39.346 1.975 0.622 0.850 0.962 0.558 CB 1.312 53 residues pruned to eliminate duplicates Z: 18 18.489 1.996 0.480 0.866 1.000 0.647 CB 1.111 18 residues pruned to eliminate duplicates Z: 53 38.210 1.936 0.685 0.847 0.981 0.500 CB 1.230 53 residues pruned to eliminate duplicates Z: 17 20.600 1.988 0.658 0.905 1.000 0.500 CB 1.112 17 residues pruned to eliminate duplicates Z: 53 42.888 1.965 0.763 0.869 0.981 0.577 CB 1.279 53 residues pruned to eliminate duplicates Z: 55 38.488 1.941 0.662 0.841 0.981 0.556 CB 1.234 55 residues pruned to eliminate duplicates Z: 16 17.012 1.845 0.759 0.928 1.000 0.667 CB 0.948 16 residues pruned to eliminate duplicates Z: 30 22.692 1.931 0.762 0.751 0.862 0.448 CB 1.148 30 residues pruned to eliminate duplicates Z: 54 40.335 1.939 0.864 0.852 0.962 0.585 CB 1.178 57 residues pruned to eliminate duplicates Z: 33 29.268 1.916 0.850 0.937 0.969 0.562 CB 1.049 29 residues pruned to eliminate duplicates Z: 25 31.306 1.997 1.253 0.950 1.000 0.167 CB 0.980 25 residues pruned to eliminate duplicates Z: 10 9.063 1.895 1.056 0.859 0.889 0.222 CB 0.642 10 residues pruned to eliminate duplicates Z: 52 43.185 1.981 0.859 0.875 0.980 0.588 CB 1.218 52 residues pruned to eliminate duplicates Z: 56 45.384 1.939 0.804 0.892 0.964 0.673 CB 1.305 56 residues pruned to eliminate duplicates Z: 61 37.634 1.870 0.860 0.842 0.883 0.450 CB 1.178 61 residues pruned to eliminate duplicates 6 0.991 1.449 0.369 0.100 0.400 0.000 CB 0.932 ? Z: 22 20.936 1.791 0.368 0.811 0.952 0.857 N 1.493 22 residues pruned to eliminate duplicates Z: 26 25.332 1.825 0.437 0.883 1.000 0.920 CB 1.397 26 residues pruned to eliminate duplicates Z: 25 25.945 1.851 0.497 0.839 0.958 0.833 CB 1.490 25 residues pruned to eliminate duplicates Z: 28 22.961 1.820 0.384 0.791 0.926 0.704 CB 1.468 28 residues pruned to eliminate duplicates Z: 27 22.228 1.797 0.493 0.809 0.923 0.731 CB 1.344 27 residues pruned to eliminate duplicates Z: 15 8.520 1.745 0.371 0.623 0.786 0.429 CB 1.079 15 residues pruned to eliminate duplicates Z: 27 27.331 1.839 0.679 0.848 0.962 0.846 CB 1.339 27 residues pruned to eliminate duplicates Z: 31 23.778 1.803 0.664 0.703 0.900 0.700 CB 1.337 26 residues pruned to eliminate duplicates Z: 24 30.114 1.874 0.606 0.928 1.000 0.870 CB 1.461 30 residues pruned to eliminate duplicates Z: 17 26.270 1.903 0.797 0.901 0.938 0.812 CB 1.462 18 residues pruned to eliminate duplicates Z: 26 25.240 1.733 0.656 0.881 0.960 0.760 CB 1.326 26 residues pruned to eliminate duplicates Z: 22 21.543 1.787 0.631 0.779 0.952 0.667 CB 1.324 22 residues pruned to eliminate duplicates Z: 24 27.882 1.858 0.699 0.918 0.957 0.652 CB 1.358 24 residues pruned to eliminate duplicates Z: 25 27.727 1.899 0.679 0.848 0.958 0.875 CB 1.374 25 residues pruned to eliminate duplicates Z: 30 30.848 1.799 0.813 0.823 0.966 0.862 CB 1.374 30 residues pruned to eliminate duplicates Z: 28 33.045 1.868 0.777 0.918 1.000 0.815 CB 1.351 27 residues pruned to eliminate duplicates Z: 22 28.710 1.865 0.967 0.871 0.952 0.810 CB 1.309 22 residues pruned to eliminate duplicates Z: 26 31.722 1.815 0.865 0.935 0.960 0.680 CB 1.360 26 residues pruned to eliminate duplicates Z: 24 31.984 1.937 0.620 0.938 1.000 1.000 CB 1.478 24 residues pruned to eliminate duplicates Z: 29 26.681 1.823 0.716 0.755 0.893 0.786 CA 1.438 29 residues pruned to eliminate duplicates Z: 31 27.156 1.829 0.676 0.805 0.933 0.800 CB 1.328 31 residues pruned to eliminate duplicates Z: 28 31.441 1.883 0.752 0.898 0.963 0.778 CB 1.363 28 residues pruned to eliminate duplicates Z: 34 22.229 1.770 0.716 0.724 0.879 0.667 CB 1.184 25 residues pruned to eliminate duplicates Z: 28 32.940 1.863 0.760 0.945 1.000 0.815 CB 1.338 37 residues pruned to eliminate duplicates Z: 29 30.837 1.796 0.931 0.913 0.964 0.857 CB 1.233 29 residues pruned to eliminate duplicates Z: 29 32.673 1.871 0.854 0.855 0.929 0.679 CB 1.415 29 residues pruned to eliminate duplicates Z: 30 30.207 1.805 0.946 0.847 0.931 0.552 CB 1.274 30 residues pruned to eliminate duplicates Z: 35 25.126 1.754 0.867 0.801 0.912 0.500 CB 1.109 34 residues pruned to eliminate duplicates Z: 27 30.202 1.835 0.982 0.946 1.000 0.615 CB 1.126 27 residues pruned to eliminate duplicates Z: 32 32.325 1.918 0.632 0.853 1.000 0.871 CA 1.370 32 residues pruned to eliminate duplicates Z: 70 55.422 2.043 0.863 0.800 0.942 0.667 CB 1.432 70 residues pruned to eliminate duplicates Z: 62 42.058 1.995 0.584 0.768 0.951 0.705 CA 1.413 62 residues pruned to eliminate duplicates Z: 35 33.562 1.891 0.772 0.791 0.971 0.765 CA 1.371 35 residues pruned to eliminate duplicates Z: 35 31.024 1.910 0.598 0.785 0.941 0.765 CA 1.441 35 residues pruned to eliminate duplicates Z: 33 35.970 1.936 0.745 0.824 1.000 0.844 CA 1.421 33 residues pruned to eliminate duplicates Z: 59 43.297 2.000 0.630 0.801 0.966 0.741 CA 1.388 59 residues pruned to eliminate duplicates Z: 61 56.401 2.077 0.727 0.892 0.983 0.867 CA 1.483 61 residues pruned to eliminate duplicates Z: 52 45.474 2.010 0.720 0.789 0.980 0.745 CA 1.458 52 residues pruned to eliminate duplicates Z: 35 33.988 1.907 0.807 0.781 0.941 0.853 CB 1.403 35 residues pruned to eliminate duplicates Z: 55 35.868 1.885 0.702 0.738 0.944 0.796 CB 1.301 55 residues pruned to eliminate duplicates Z: 59 52.321 2.041 0.718 0.857 0.983 0.776 CA 1.469 59 residues pruned to eliminate duplicates Z: 32 39.960 1.954 0.902 0.850 0.968 0.806 CA 1.479 32 residues pruned to eliminate duplicates Z: 33 40.068 1.934 0.971 0.826 0.938 0.594 CA 1.495 33 residues pruned to eliminate duplicates Z: 54 55.823 2.075 0.760 0.879 1.000 0.717 CA 1.522 54 residues pruned to eliminate duplicates Z: 33 38.589 1.945 0.911 0.835 0.938 0.719 CA 1.466 33 residues pruned to eliminate duplicates Z: 59 51.243 2.014 0.765 0.819 0.966 0.690 CA 1.486 59 residues pruned to eliminate duplicates Z: 32 39.094 1.944 0.862 0.868 0.968 0.806 CA 1.465 32 residues pruned to eliminate duplicates Z: 33 35.434 1.915 0.850 0.823 0.938 0.750 CA 1.426 33 residues pruned to eliminate duplicates Z: 29 31.309 1.854 0.929 0.746 0.929 0.643 CA 1.430 29 residues pruned to eliminate duplicates Z: 85 63.239 2.152 0.617 0.847 0.988 0.821 CA 1.490 85 residues pruned to eliminate duplicates Z: 15 19.152 1.975 0.836 0.714 0.857 0.643 CB 1.356 15 residues pruned to eliminate duplicates Z: 17 19.367 1.905 0.837 0.675 0.875 0.750 CB 1.346 17 residues pruned to eliminate duplicates Z: 30 26.164 1.862 0.779 0.726 0.931 0.724 CA 1.284 30 residues pruned to eliminate duplicates Z: 52 49.875 1.997 0.846 0.792 0.980 0.765 CA 1.496 52 residues pruned to eliminate duplicates Z: 34 38.846 1.942 0.897 0.829 0.970 0.848 CA 1.425 34 residues pruned to eliminate duplicates Z: 43 34.305 2.011 0.652 0.768 0.905 0.690 CA 1.389 43 residues pruned to eliminate duplicates Z: 58 54.633 2.031 0.782 0.873 0.982 0.789 CA 1.482 58 residues pruned to eliminate duplicates Z: 58 54.724 2.045 0.822 0.871 1.000 0.842 CA 1.419 58 residues pruned to eliminate duplicates Z: 50 51.102 2.021 0.856 0.828 0.980 0.673 CA 1.496 50 residues pruned to eliminate duplicates Z: 61 41.891 1.957 0.684 0.753 0.917 0.700 CA 1.428 61 residues pruned to eliminate duplicates Z: 63 56.261 2.068 0.741 0.875 0.984 0.839 CA 1.467 63 residues pruned to eliminate duplicates Z: 64 42.326 1.967 0.590 0.736 0.905 0.667 CA 1.524 64 residues pruned to eliminate duplicates Z: 56 50.413 2.022 0.734 0.847 0.964 0.709 CB 1.494 56 residues pruned to eliminate duplicates Z: 60 50.021 2.012 0.792 0.819 0.966 0.729 CA 1.418 60 residues pruned to eliminate duplicates Z: 34 29.075 1.988 0.651 0.770 0.848 0.758 CA 1.432 34 residues pruned to eliminate duplicates Z: 38 39.395 2.093 0.601 0.841 0.973 0.784 CA 1.481 38 residues pruned to eliminate duplicates Z: 57 51.671 2.019 0.869 0.812 0.964 0.714 CA 1.446 57 residues pruned to eliminate duplicates Z: 62 47.379 2.032 0.727 0.783 0.967 0.787 CA 1.394 62 residues pruned to eliminate duplicates Z: 51 34.721 1.952 0.685 0.647 0.920 0.640 CA 1.414 51 residues pruned to eliminate duplicates Z: 128 74.662 2.099 0.667 0.812 0.984 0.740 CA 1.466 128 residues pruned to eliminate duplicates Z: 107 70.469 2.143 0.633 0.830 0.981 0.811 CA 1.499 107 residues pruned to eliminate duplicates Z: 29 33.596 2.119 0.633 0.825 1.000 0.750 CB 1.385 29 residues pruned to eliminate duplicates Z: 44 39.487 2.048 0.835 0.735 0.977 0.767 CA 1.329 44 residues pruned to eliminate duplicates Z: 57 52.291 2.023 0.874 0.839 0.982 0.661 CB 1.402 57 residues pruned to eliminate duplicates Z: 64 46.557 1.971 0.808 0.730 0.937 0.746 CB 1.429 64 residues pruned to eliminate duplicates Z: 64 63.053 2.102 0.910 0.905 0.968 0.746 CB 1.455 64 residues pruned to eliminate duplicates Z: 47 45.535 2.124 0.754 0.817 0.957 0.739 CB 1.431 47 residues pruned to eliminate duplicates Z: 111 75.257 2.094 0.779 0.829 0.973 0.709 CB 1.490 111 residues pruned to eliminate duplicates Z: 54 55.180 2.090 0.745 0.881 1.000 0.736 CB 1.505 54 residues pruned to eliminate duplicates Z: 85 53.547 2.076 0.639 0.785 0.940 0.750 CB 1.420 85 residues pruned to eliminate duplicates Z: 127 85.564 2.121 0.765 0.852 0.984 0.714 CB 1.530 127 residues pruned to eliminate duplicates Z: 110 72.804 2.119 0.674 0.825 0.982 0.761 CB 1.511 110 residues pruned to eliminate duplicates Z: 78 58.322 2.149 0.651 0.818 0.961 0.766 CB 1.479 78 residues pruned to eliminate duplicates Z: 125 81.592 2.110 0.809 0.844 0.976 0.734 CB 1.463 125 residues pruned to eliminate duplicates Z: 60 42.653 2.111 0.617 0.714 0.898 0.678 CB 1.491 60 residues pruned to eliminate duplicates Z: 21 22.270 2.089 0.629 0.733 0.950 0.700 CB 1.249 21 residues pruned to eliminate duplicates Z: 73 56.062 2.062 0.835 0.812 0.944 0.667 CB 1.408 73 residues pruned to eliminate duplicates Z: 127 76.405 2.106 0.703 0.819 0.968 0.738 CB 1.486 127 residues pruned to eliminate duplicates Z: 63 49.588 2.046 0.700 0.811 0.952 0.806 CA 1.452 63 residues pruned to eliminate duplicates Z: 74 56.662 2.022 0.836 0.797 0.973 0.603 CB 1.416 74 residues pruned to eliminate duplicates Z: 72 51.409 2.045 0.703 0.794 0.958 0.690 CB 1.415 72 residues pruned to eliminate duplicates Z: 61 41.042 2.124 0.509 0.725 0.933 0.750 CB 1.446 61 residues pruned to eliminate duplicates Z: 132 85.060 2.102 0.783 0.852 0.985 0.740 CB 1.489 132 residues pruned to eliminate duplicates Z: 47 51.921 2.195 0.782 0.844 0.978 0.717 CB 1.489 47 residues pruned to eliminate duplicates Z: 19 29.163 2.121 0.937 0.868 0.944 0.722 CB 1.295 19 residues pruned to eliminate duplicates Z: 71 58.963 2.152 0.692 0.805 0.986 0.729 CB 1.505 71 residues pruned to eliminate duplicates Z: 77 52.183 2.096 0.677 0.721 0.934 0.697 CB 1.493 77 residues pruned to eliminate duplicates Z: 48 49.289 2.164 0.659 0.861 1.000 0.830 CB 1.471 48 residues pruned to eliminate duplicates Z: 49 55.812 2.201 0.843 0.817 1.000 0.854 CB 1.508 49 residues pruned to eliminate duplicates Z: 73 59.337 2.145 0.717 0.806 0.986 0.764 CA 1.474 73 residues pruned to eliminate duplicates Z: 109 71.318 2.109 0.735 0.829 0.972 0.676 CB 1.451 109 residues pruned to eliminate duplicates Z: 72 61.656 2.158 0.827 0.805 0.944 0.817 CB 1.507 72 residues pruned to eliminate duplicates Z: 51 52.512 2.169 0.784 0.823 0.980 0.800 CB 1.480 51 residues pruned to eliminate duplicates Z: 74 55.958 2.129 0.705 0.785 0.959 0.753 CB 1.465 74 residues pruned to eliminate duplicates Z: 53 52.595 2.154 0.791 0.807 0.923 0.769 CB 1.567 53 residues pruned to eliminate duplicates Z: 68 51.130 2.156 0.637 0.781 0.925 0.716 CB 1.493 68 residues pruned to eliminate duplicates Z: 75 57.639 2.106 0.743 0.774 0.973 0.770 CB 1.472 75 residues pruned to eliminate duplicates Z: 61 45.845 2.130 0.636 0.724 0.933 0.750 CB 1.487 61 residues pruned to eliminate duplicates Z: 60 44.031 2.123 0.638 0.749 0.915 0.780 CB 1.442 60 residues pruned to eliminate duplicates Z: 108 77.556 2.147 0.779 0.823 0.991 0.673 CB 1.497 108 residues pruned to eliminate duplicates Z: 72 62.143 2.130 0.815 0.780 0.986 0.732 CB 1.511 72 residues pruned to eliminate duplicates Z: 53 49.085 2.173 0.565 0.800 0.981 0.731 CA 1.570 53 residues pruned to eliminate duplicates Z: 70 57.715 2.168 0.692 0.781 0.971 0.754 CB 1.523 70 residues pruned to eliminate duplicates Z: 66 57.405 2.181 0.654 0.812 0.969 0.800 CB 1.553 66 residues pruned to eliminate duplicates Z: 49 50.409 2.178 0.664 0.835 1.000 0.792 CB 1.504 49 residues pruned to eliminate duplicates Z: 73 59.216 2.136 0.775 0.789 0.958 0.778 CB 1.490 73 residues pruned to eliminate duplicates Z: 69 62.243 2.169 0.753 0.807 0.985 0.750 CB 1.540 69 residues pruned to eliminate duplicates Z: 72 55.151 2.131 0.701 0.777 0.958 0.789 CB 1.476 72 residues pruned to eliminate duplicates Z: 67 56.652 2.164 0.703 0.787 0.970 0.742 CB 1.516 67 residues pruned to eliminate duplicates Z: 71 60.361 2.158 0.726 0.805 0.971 0.829 CB 1.529 71 residues pruned to eliminate duplicates Z: 72 62.777 2.150 0.842 0.798 0.972 0.746 CB 1.492 72 residues pruned to eliminate duplicates Z: 57 53.021 2.137 0.802 0.802 0.911 0.696 CB 1.551 57 residues pruned to eliminate duplicates Z: 68 57.087 2.135 0.768 0.809 0.955 0.657 CB 1.477 68 residues pruned to eliminate duplicates Z: 53 56.979 2.169 0.874 0.814 0.981 0.692 CB 1.508 53 residues pruned to eliminate duplicates Z: 51 52.330 2.098 1.011 0.827 0.980 0.820 CB 1.349 51 residues pruned to eliminate duplicates Z: 100 80.046 2.137 0.877 0.871 0.980 0.697 CB 1.493 100 residues pruned to eliminate duplicates Z: 50 52.879 2.188 0.815 0.815 0.980 0.714 CB 1.477 50 residues pruned to eliminate duplicates Z: 61 48.312 2.125 0.679 0.792 0.950 0.783 CB 1.424 61 residues pruned to eliminate duplicates Z: 121 85.671 2.125 0.934 0.818 0.967 0.700 CB 1.493 121 residues pruned to eliminate duplicates Z: 113 75.525 2.135 0.856 0.813 0.946 0.688 CB 1.449 113 residues pruned to eliminate duplicates Z: 50 52.562 2.166 0.792 0.807 0.939 0.694 CB 1.577 50 residues pruned to eliminate duplicates Z: 25 27.456 2.057 0.598 0.736 0.917 0.750 CA 1.505 25 residues pruned to eliminate duplicates Z: 26 22.750 2.043 0.654 0.682 0.840 0.720 CB 1.356 26 residues pruned to eliminate duplicates Z: 55 56.730 2.165 0.867 0.792 0.963 0.722 CB 1.536 55 residues pruned to eliminate duplicates Z: 73 58.078 2.100 0.893 0.768 0.931 0.583 CB 1.459 73 residues pruned to eliminate duplicates Z: 25 27.216 2.009 0.656 0.712 0.958 0.833 CB 1.438 25 residues pruned to eliminate duplicates Z: 22 27.289 2.038 0.641 0.728 0.905 0.762 CB 1.604 22 residues pruned to eliminate duplicates Z: 121 81.541 2.094 0.875 0.821 0.958 0.733 CB 1.498 121 residues pruned to eliminate duplicates Z: 71 63.441 2.132 0.922 0.786 0.957 0.671 CB 1.504 71 residues pruned to eliminate duplicates Z: 26 26.100 2.024 0.641 0.684 0.880 0.720 CA 1.509 26 residues pruned to eliminate duplicates Z: 65 54.039 2.143 0.781 0.745 0.922 0.703 CB 1.541 65 residues pruned to eliminate duplicates Z: 53 59.616 2.177 0.896 0.831 0.962 0.808 CB 1.565 53 residues pruned to eliminate duplicates Z: 24 31.059 2.101 0.682 0.760 0.957 0.739 CA 1.521 24 residues pruned to eliminate duplicates Z: 30 29.525 2.009 0.726 0.664 0.897 0.655 CA 1.515 30 residues pruned to eliminate duplicates Z: 25 28.496 1.941 0.883 0.678 0.875 0.708 CB 1.544 25 residues pruned to eliminate duplicates Z: 24 35.782 2.091 0.841 0.794 0.957 0.870 CA 1.565 24 residues pruned to eliminate duplicates Z: 19 28.962 2.112 0.798 0.850 0.944 0.833 CA 1.410 19 residues pruned to eliminate duplicates Z: 107 75.455 2.113 0.947 0.794 0.943 0.689 CB 1.460 107 residues pruned to eliminate duplicates Z: 27 27.652 2.065 0.669 0.698 0.885 0.615 CB 1.485 27 residues pruned to eliminate duplicates Z: 53 45.297 2.131 0.823 0.760 0.865 0.635 CB 1.483 53 residues pruned to eliminate duplicates Z: 31 33.297 2.061 0.507 0.852 0.967 0.767 CB 1.498 31 residues pruned to eliminate duplicates Z: 18 28.552 2.056 0.886 0.815 0.941 0.647 CB 1.443 18 residues pruned to eliminate duplicates Z: 129 86.736 2.105 0.872 0.830 0.984 0.664 CB 1.487 129 residues pruned to eliminate duplicates Z: 16 18.311 1.930 0.757 0.784 0.800 0.667 CB 1.357 16 residues pruned to eliminate duplicates Z: 12 15.606 1.932 0.638 0.825 1.000 0.545 CB 1.122 12 residues pruned to eliminate duplicates Z: 18 25.442 2.035 0.986 0.862 0.824 0.588 CB 1.361 18 residues pruned to eliminate duplicates Z: 12 17.164 1.957 0.561 0.889 1.000 0.727 CB 1.219 12 residues pruned to eliminate duplicates Z: 17 20.468 1.796 1.129 0.800 0.812 0.562 CB 1.267 17 residues pruned to eliminate duplicates Z: 32 37.010 1.917 0.873 0.897 1.000 0.774 CB 1.325 30 residues pruned to eliminate duplicates Z: 32 32.439 1.916 0.920 0.865 0.935 0.548 CB 1.240 32 residues pruned to eliminate duplicates Z: 13 16.995 1.739 0.733 0.613 1.000 0.750 CA 1.462 13 residues pruned to eliminate duplicates Z: 10 8.824 1.820 0.645 0.616 0.667 0.556 CB 1.320 10 residues pruned to eliminate duplicates Z: 55 39.804 1.933 0.686 0.773 0.907 0.759 CB 1.439 57 residues pruned to eliminate duplicates Z: 30 38.231 2.019 0.734 0.931 1.000 0.897 CB 1.417 30 residues pruned to eliminate duplicates Z: 36 34.018 1.951 0.761 0.763 0.971 0.771 CB 1.364 36 residues pruned to eliminate duplicates Z: 53 45.198 1.965 0.749 0.802 0.962 0.750 CB 1.456 54 residues pruned to eliminate duplicates Z: 31 35.080 1.967 0.689 0.925 1.000 0.833 CB 1.353 31 residues pruned to eliminate duplicates Z: 13 14.519 1.780 0.831 0.610 0.833 0.583 CB 1.391 13 residues pruned to eliminate duplicates Z: 57 43.438 1.925 0.796 0.738 0.946 0.661 CB 1.432 57 residues pruned to eliminate duplicates Z: 12 16.430 1.780 0.790 0.874 1.000 0.545 CB 1.131 12 residues pruned to eliminate duplicates Z: 40 33.258 1.944 0.774 0.764 0.923 0.667 CB 1.324 40 residues pruned to eliminate duplicates Z: 42 35.149 1.986 0.670 0.777 0.927 0.610 CB 1.398 41 residues pruned to eliminate duplicates Z: 32 38.813 1.918 1.026 0.918 1.000 0.645 CB 1.266 32 residues pruned to eliminate duplicates Z: 42 36.825 1.952 0.675 0.741 0.976 0.683 CB 1.453 42 residues pruned to eliminate duplicates Z: 42 37.351 1.975 0.693 0.780 0.951 0.756 CB 1.433 42 residues pruned to eliminate duplicates Z: 32 23.221 1.910 0.706 0.656 0.871 0.516 CB 1.272 32 residues pruned to eliminate duplicates Z: 42 35.700 1.967 0.681 0.775 0.951 0.732 CB 1.391 42 residues pruned to eliminate duplicates Z: 32 34.033 1.908 0.892 0.933 0.968 0.581 CB 1.221 32 residues pruned to eliminate duplicates Z: 54 38.827 1.921 0.764 0.771 0.943 0.698 CB 1.312 54 residues pruned to eliminate duplicates Z: 41 26.551 1.877 0.776 0.675 0.875 0.600 CB 1.225 41 residues pruned to eliminate duplicates Z: 22 28.355 2.100 0.715 0.793 1.000 0.667 CB 1.328 22 residues pruned to eliminate duplicates Z: 53 39.640 1.939 0.824 0.772 0.942 0.712 CB 1.297 53 residues pruned to eliminate duplicates Z: 17 28.074 2.146 0.788 0.865 0.938 0.875 CB 1.430 17 residues pruned to eliminate duplicates Z: 54 45.011 1.949 0.864 0.787 0.962 0.642 CB 1.375 55 residues pruned to eliminate duplicates Z: 33 31.703 1.853 0.894 0.926 0.969 0.719 CB 1.156 33 residues pruned to eliminate duplicates Z: 42 40.456 1.970 0.872 0.808 0.927 0.732 CB 1.414 41 residues pruned to eliminate duplicates Z: 31 36.601 1.972 0.810 0.903 1.000 0.733 CB 1.334 31 residues pruned to eliminate duplicates Z: 27 23.149 1.973 0.553 0.729 0.923 0.654 CB 1.306 27 residues pruned to eliminate duplicates Z: 41 35.325 1.994 0.643 0.755 0.950 0.700 CB 1.431 41 residues pruned to eliminate duplicates Z: 45 31.533 1.928 0.754 0.669 0.864 0.545 CB 1.393 45 residues pruned to eliminate duplicates Z: 48 39.631 1.944 0.725 0.793 0.957 0.745 CB 1.393 48 residues pruned to eliminate duplicates Z: 28 25.049 2.036 0.572 0.723 0.926 0.593 CB 1.330 28 residues pruned to eliminate duplicates Z: 42 34.740 1.962 0.592 0.750 0.976 0.756 CB 1.424 42 residues pruned to eliminate duplicates Z: 40 33.864 1.989 0.651 0.768 0.949 0.615 CB 1.372 42 residues pruned to eliminate duplicates Z: 18 20.534 1.864 0.683 0.879 0.882 0.706 CB 1.305 18 residues pruned to eliminate duplicates Z: 20 21.031 1.787 0.587 0.859 1.000 0.579 CA 1.252 20 residues pruned to eliminate duplicates Z: 24 23.217 1.866 0.673 0.724 0.957 0.565 CB 1.325 24 residues pruned to eliminate duplicates Z: 53 41.964 1.953 0.769 0.808 0.981 0.731 CB 1.314 53 residues pruned to eliminate duplicates Z: 25 21.751 1.884 0.692 0.700 0.875 0.625 CB 1.327 25 residues pruned to eliminate duplicates Z: 42 38.495 1.976 0.709 0.776 1.000 0.659 CB 1.395 42 residues pruned to eliminate duplicates Z: 40 39.856 2.007 0.899 0.802 0.949 0.615 CB 1.355 40 residues pruned to eliminate duplicates Z: 41 36.468 1.990 0.706 0.765 0.975 0.700 CB 1.377 41 residues pruned to eliminate duplicates Z: 42 25.996 1.886 0.746 0.613 0.927 0.634 CB 1.195 42 residues pruned to eliminate duplicates Z: 23 27.928 1.909 0.899 0.734 0.955 0.545 CB 1.395 23 residues pruned to eliminate duplicates Z: 12 21.121 1.923 1.019 0.727 0.909 0.455 CB 1.470 12 residues pruned to eliminate duplicates Z: 43 36.615 1.962 0.792 0.743 0.976 0.667 CB 1.324 43 residues pruned to eliminate duplicates Z: 26 22.635 1.877 0.688 0.688 0.920 0.480 CB 1.308 26 residues pruned to eliminate duplicates Z: 41 27.264 1.878 0.445 0.781 0.900 0.775 CA 1.378 41 residues pruned to eliminate duplicates Z: 35 21.394 1.825 0.488 0.702 0.882 0.706 CB 1.274 35 residues pruned to eliminate duplicates Z: 10 11.008 1.768 0.590 0.589 0.889 0.667 CB 1.348 10 residues pruned to eliminate duplicates Z: 34 23.540 1.849 0.592 0.724 0.848 0.697 CA 1.341 34 residues pruned to eliminate duplicates Z: 34 24.522 1.833 0.558 0.737 0.939 0.758 CB 1.286 34 residues pruned to eliminate duplicates Z: 35 22.086 1.823 0.408 0.695 0.941 0.706 CB 1.312 35 residues pruned to eliminate duplicates Z: 29 27.323 1.895 0.716 0.784 1.000 0.714 CB 1.237 29 residues pruned to eliminate duplicates Z: 37 24.296 1.809 0.604 0.678 0.917 0.722 CB 1.292 37 residues pruned to eliminate duplicates Z: 37 26.036 1.827 0.633 0.704 0.917 0.639 CB 1.317 37 residues pruned to eliminate duplicates Z: 30 27.264 1.867 0.766 0.771 0.966 0.759 CB 1.251 30 residues pruned to eliminate duplicates Z: 33 24.986 1.841 0.700 0.738 0.938 0.656 CB 1.217 33 residues pruned to eliminate duplicates Z: 38 24.946 1.800 0.621 0.733 0.892 0.622 CB 1.278 38 residues pruned to eliminate duplicates Z: 39 32.185 1.874 0.577 0.844 0.947 0.789 CA 1.387 39 residues pruned to eliminate duplicates Z: 35 28.456 1.866 0.631 0.794 0.971 0.735 CB 1.277 37 residues pruned to eliminate duplicates Z: 23 19.904 1.763 0.605 0.878 0.909 0.545 CB 1.197 23 residues pruned to eliminate duplicates Z: 36 29.705 1.852 0.683 0.757 0.971 0.714 CA 1.319 35 residues pruned to eliminate duplicates Z: 21 25.948 1.820 0.795 0.909 1.000 0.600 CB 1.261 20 residues pruned to eliminate duplicates Z: 23 21.108 1.756 0.718 0.899 0.909 0.636 CB 1.173 23 residues pruned to eliminate duplicates Z: 31 28.179 1.880 0.772 0.769 0.967 0.733 CB 1.260 31 residues pruned to eliminate duplicates Z: 33 29.810 1.871 0.645 0.794 1.000 0.750 CB 1.323 33 residues pruned to eliminate duplicates Z: 20 22.059 1.897 0.386 0.898 1.000 0.895 CB 1.378 20 residues pruned to eliminate duplicates Z: 42 28.775 1.835 0.600 0.777 0.902 0.659 CA 1.328 42 residues pruned to eliminate duplicates Z: 14 12.529 1.628 0.877 0.573 0.923 0.538 CA 1.147 14 residues pruned to eliminate duplicates Z: 13 14.271 1.860 0.628 0.595 0.833 0.833 CB 1.491 13 residues pruned to eliminate duplicates Z: 32 26.772 1.859 0.662 0.780 0.935 0.581 CB 1.300 32 residues pruned to eliminate duplicates Z: 19 25.883 1.876 0.723 0.845 0.944 0.667 N 1.485 19 residues pruned to eliminate duplicates Z: 20 25.826 1.873 0.826 0.789 0.947 0.737 CA 1.418 20 residues pruned to eliminate duplicates Z: 24 24.755 1.861 0.693 0.730 0.913 0.652 CA 1.458 24 residues pruned to eliminate duplicates Z: 29 25.449 1.877 0.601 0.708 0.929 0.643 CB 1.426 29 residues pruned to eliminate duplicates Z: 22 21.774 1.820 0.716 0.775 0.905 0.619 CB 1.320 22 residues pruned to eliminate duplicates Z: 15 20.090 1.787 0.933 0.818 0.857 0.571 CB 1.376 15 residues pruned to eliminate duplicates Z: 16 19.595 1.826 0.699 0.794 1.000 0.667 CB 1.260 16 residues pruned to eliminate duplicates Z: 25 23.337 1.862 0.676 0.791 0.958 0.833 CB 1.234 25 residues pruned to eliminate duplicates Z: 41 35.496 1.876 0.784 0.820 0.950 0.650 CB 1.337 41 residues pruned to eliminate duplicates Z: 19 25.887 1.845 0.992 0.934 0.889 0.722 CB 1.302 19 residues pruned to eliminate duplicates Z: 34 24.263 1.829 0.735 0.716 0.939 0.667 CB 1.165 34 residues pruned to eliminate duplicates Z: 21 21.124 1.746 0.827 0.841 0.950 0.600 CB 1.162 21 residues pruned to eliminate duplicates Z: 46 34.721 1.833 0.894 0.823 0.956 0.644 CB 1.180 46 residues pruned to eliminate duplicates Z: 48 33.377 1.808 0.834 0.743 0.957 0.681 CB 1.233 48 residues pruned to eliminate duplicates Z: 25 20.097 1.729 0.875 0.762 0.875 0.500 CB 1.146 25 residues pruned to eliminate duplicates Z: 26 25.329 1.806 0.801 0.793 0.920 0.640 CB 1.309 26 residues pruned to eliminate duplicates Z: 17 20.711 1.794 0.900 0.862 0.875 0.688 CB 1.275 17 residues pruned to eliminate duplicates Z: 26 12.334 1.674 0.499 0.483 0.840 0.440 CB 1.190 26 residues pruned to eliminate duplicates Z: 48 27.679 1.761 0.720 0.720 0.915 0.489 CB 1.195 48 residues pruned to eliminate duplicates Z: 13 11.441 1.681 0.609 0.560 0.917 0.500 CA 1.256 13 residues pruned to eliminate duplicates Z: 9 11.709 1.706 0.700 0.736 1.000 0.750 CA 1.155 9 residues pruned to eliminate duplicates Z: 9 14.351 1.692 0.771 0.819 1.000 0.625 CA 1.283 9 residues pruned to eliminate duplicates Z: 14 8.101 1.469 0.485 0.642 0.846 0.538 CB 1.066 14 residues pruned to eliminate duplicates Z: 30 15.852 1.725 0.440 0.629 0.931 0.690 CB 1.128 31 residues pruned to eliminate duplicates Z: 28 19.059 1.584 0.419 0.871 1.000 0.815 CB 1.190 27 residues pruned to eliminate duplicates Z: 26 19.607 1.657 0.363 0.896 1.000 1.000 CB 1.243 26 residues pruned to eliminate duplicates Z: 13 11.059 1.521 0.409 0.883 1.000 0.833 CB 1.077 13 residues pruned to eliminate duplicates Z: 15 10.856 1.522 0.462 0.763 0.929 0.714 CB 1.112 15 residues pruned to eliminate duplicates Z: 10 11.833 1.525 0.574 0.854 1.000 0.778 O 1.214 10 residues pruned to eliminate duplicates Z: 13 10.848 1.538 0.318 0.871 1.000 0.833 CB 1.127 13 residues pruned to eliminate duplicates Z: 10 11.255 1.587 0.494 0.867 1.000 1.000 CB 1.157 10 residues pruned to eliminate duplicates Z: 14 12.169 1.541 0.449 0.810 1.000 0.846 CB 1.154 14 residues pruned to eliminate duplicates Z: 13 12.233 1.546 0.517 0.838 1.000 0.833 CB 1.125 13 residues pruned to eliminate duplicates Z: 17 13.135 1.551 0.550 0.844 0.938 0.625 CB 1.083 17 residues pruned to eliminate duplicates Z: 42 28.317 1.765 0.587 0.818 0.976 0.829 CB 1.228 43 residues pruned to eliminate duplicates Z: 26 22.195 1.669 0.502 0.912 1.000 1.000 CB 1.254 26 residues pruned to eliminate duplicates Z: 35 23.409 1.807 0.524 0.789 0.912 0.765 CB 1.241 35 residues pruned to eliminate duplicates Z: 35 23.538 1.822 0.506 0.761 0.941 0.824 CB 1.239 35 residues pruned to eliminate duplicates Z: 35 20.924 1.774 0.370 0.761 0.941 0.765 CB 1.243 35 residues pruned to eliminate duplicates Z: 29 17.260 1.760 0.360 0.653 0.964 0.714 CB 1.226 29 residues pruned to eliminate duplicates Z: 33 21.118 1.765 0.483 0.696 0.969 0.781 CB 1.231 33 residues pruned to eliminate duplicates Z: 38 24.654 1.756 0.358 0.844 1.000 0.811 CB 1.264 38 residues pruned to eliminate duplicates Z: 24 21.603 1.606 0.562 0.872 0.957 0.739 CB 1.369 24 residues pruned to eliminate duplicates Z: 25 22.859 1.817 0.580 0.799 0.958 0.750 CB 1.305 25 residues pruned to eliminate duplicates Z: 34 18.762 1.718 0.514 0.630 0.848 0.727 CB 1.310 34 residues pruned to eliminate duplicates Z: 31 12.344 1.655 0.404 0.583 0.833 0.467 CB 1.075 31 residues pruned to eliminate duplicates Z: 36 21.030 1.744 0.536 0.670 0.886 0.629 CB 1.280 31 residues pruned to eliminate duplicates Z: 25 21.238 1.797 0.558 0.781 0.958 0.792 CB 1.261 25 residues pruned to eliminate duplicates Z: 20 12.291 1.740 0.430 0.571 0.842 0.579 CB 1.256 20 residues pruned to eliminate duplicates Z: 44 26.095 1.758 0.542 0.706 0.930 0.721 CB 1.309 44 residues pruned to eliminate duplicates Z: 34 25.304 1.842 0.503 0.778 0.970 0.727 CB 1.284 34 residues pruned to eliminate duplicates Z: 36 28.932 1.782 0.661 0.830 0.971 0.743 CB 1.278 36 residues pruned to eliminate duplicates Z: 32 20.060 1.757 0.655 0.611 0.903 0.677 CB 1.235 32 residues pruned to eliminate duplicates Z: 26 20.583 1.837 0.569 0.682 0.960 0.440 CB 1.259 26 residues pruned to eliminate duplicates Z: 41 25.165 1.735 0.627 0.664 0.950 0.625 CB 1.276 41 residues pruned to eliminate duplicates Z: 39 32.467 1.820 0.653 0.847 1.000 0.763 CB 1.300 45 residues pruned to eliminate duplicates Z: 19 16.638 1.761 0.723 0.849 0.889 0.722 CB 1.078 19 residues pruned to eliminate duplicates Z: 45 31.315 1.755 0.767 0.765 0.977 0.636 CB 1.232 39 residues pruned to eliminate duplicates Z: 37 26.074 1.749 0.606 0.899 0.972 0.750 CB 1.138 40 residues pruned to eliminate duplicates Z: 18 17.799 1.821 0.888 0.893 0.882 0.353 CB 1.022 18 residues pruned to eliminate duplicates Z: 28 21.269 1.839 0.727 0.762 0.926 0.481 CB 1.104 28 residues pruned to eliminate duplicates Z: 33 18.652 1.755 0.648 0.682 1.000 0.531 CB 0.964 33 residues pruned to eliminate duplicates Z: 55 26.511 1.699 0.704 0.756 0.907 0.574 CB 1.093 55 residues pruned to eliminate duplicates Z: 18 15.710 1.786 0.602 0.886 0.882 0.588 CB 1.090 18 residues pruned to eliminate duplicates Z: 14 16.483 1.754 0.456 0.880 1.000 0.769 CB 1.297 14 residues pruned to eliminate duplicates Z: 51 29.324 1.772 0.689 0.758 0.920 0.620 CB 1.197 51 residues pruned to eliminate duplicates Z: 17 23.799 1.846 0.687 0.856 0.938 0.750 CB 1.502 17 residues pruned to eliminate duplicates Z: 20 19.562 1.780 0.551 0.812 0.947 0.737 CB 1.309 20 residues pruned to eliminate duplicates Z: 18 25.109 1.832 0.759 0.883 0.941 0.765 CB 1.451 19 residues pruned to eliminate duplicates Z: 21 19.289 1.730 0.893 0.924 0.900 0.550 CB 1.028 21 residues pruned to eliminate duplicates Z: 55 33.538 1.806 0.658 0.765 0.944 0.667 CB 1.275 55 residues pruned to eliminate duplicates Z: 14 16.044 1.758 0.470 0.906 1.000 0.692 CB 1.225 14 residues pruned to eliminate duplicates Z: 13 15.564 1.795 0.660 0.923 0.833 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 15 15.099 1.763 0.661 0.738 0.857 0.357 CB 1.298 15 residues pruned to eliminate duplicates Z: 16 15.131 1.670 0.554 0.758 1.000 0.667 CB 1.197 16 residues pruned to eliminate duplicates Z: 17 15.970 1.763 0.775 0.886 0.875 0.500 CB 1.052 17 residues pruned to eliminate duplicates Z: 13 14.654 1.781 0.614 0.791 0.917 0.583 CB 1.243 13 residues pruned to eliminate duplicates Z: 12 16.000 1.803 0.574 0.904 0.909 0.636 CB 1.332 12 residues pruned to eliminate duplicates Z: 44 28.438 1.805 0.797 0.752 0.930 0.488 CB 1.149 44 residues pruned to eliminate duplicates Z: 11 19.336 1.811 0.747 0.912 1.000 0.800 N 1.368 11 residues pruned to eliminate duplicates Z: 14 14.252 1.698 0.733 0.846 0.923 0.538 CB 1.081 14 residues pruned to eliminate duplicates Z: 8 4.552 1.347 0.478 0.532 0.857 0.286 CA 0.977 6 residues pruned to eliminate duplicates Z: 12 11.751 1.426 0.717 0.898 1.000 1.000 CA 1.035 11 residues pruned to eliminate duplicates Z: 10 8.950 1.443 0.713 0.907 1.000 0.889 CA 0.858 10 residues pruned to eliminate duplicates Z: 15 6.717 1.459 0.653 0.452 0.786 0.429 CB 0.995 15 residues pruned to eliminate duplicates Z: 14 9.667 1.404 0.665 0.734 0.923 0.769 CA 1.007 14 residues pruned to eliminate duplicates Z: 11 5.962 1.355 0.591 0.605 0.800 0.800 CA 0.989 11 residues pruned to eliminate duplicates Z: 11 7.596 1.467 0.508 0.632 1.000 0.700 CA 0.959 11 residues pruned to eliminate duplicates Z: 8 3.614 1.465 0.602 0.356 0.857 0.429 CB 0.793 Z: 11 10.556 1.377 0.561 0.919 1.000 0.900 CA 1.095 11 residues pruned to eliminate duplicates Z: 10 7.824 1.488 0.526 0.691 0.889 0.556 CB 1.086 10 residues pruned to eliminate duplicates Z: 9 2.635 1.328 0.432 0.392 0.625 0.250 CB 0.878 16 residues pruned to eliminate duplicates Z: 10 8.184 1.482 0.423 0.602 1.000 0.667 CA 1.174 10 residues pruned to eliminate duplicates Z: 13 8.139 1.415 0.260 0.799 0.833 0.833 CA 1.217 13 residues pruned to eliminate duplicates Z: 10 6.031 1.448 0.366 0.457 0.889 0.444 O 1.195 9 residues pruned to eliminate duplicates Z: 22 12.442 1.423 0.272 0.887 0.905 0.810 O 1.195 22 residues pruned to eliminate duplicates Z: 15 12.190 1.573 0.370 0.743 0.929 0.500 CB 1.310 14 residues pruned to eliminate duplicates Z: 15 11.273 1.412 0.399 0.839 0.929 0.786 CB 1.227 15 residues pruned to eliminate duplicates Z: 14 7.678 1.534 0.211 0.627 0.846 0.615 N 1.202 14 residues pruned to eliminate duplicates Z: 32 13.563 1.545 0.390 0.697 0.871 0.581 CB 1.088 32 residues pruned to eliminate duplicates Z: 6 2.250 1.241 0.725 0.827 0.800 0.600 N 0.443 6 residues pruned to eliminate duplicates Z: 22 15.878 1.516 0.578 0.735 0.952 0.667 CB 1.231 20 residues pruned to eliminate duplicates Z: 23 14.372 1.431 0.553 0.799 0.864 0.545 O 1.230 23 residues pruned to eliminate duplicates Z: 17 11.841 1.491 0.410 0.778 0.875 0.688 CB 1.259 17 residues pruned to eliminate duplicates Z: 20 14.436 1.487 0.507 0.802 0.947 0.737 CB 1.198 20 residues pruned to eliminate duplicates Z: 19 9.768 1.485 0.385 0.573 0.778 0.500 N 1.342 19 residues pruned to eliminate duplicates Z: 17 11.641 1.567 0.514 0.662 0.875 0.625 CB 1.206 15 residues pruned to eliminate duplicates Z: 12 12.923 1.520 0.578 0.866 0.909 0.818 O 1.308 12 residues pruned to eliminate duplicates Z: 17 10.220 1.543 0.437 0.584 0.812 0.625 N 1.308 17 residues pruned to eliminate duplicates Z: 15 10.615 1.527 0.278 0.668 0.929 0.500 N 1.340 15 residues pruned to eliminate duplicates Z: 14 10.848 1.471 0.581 0.686 0.923 0.538 N 1.182 14 residues pruned to eliminate duplicates Z: 16 9.632 1.476 0.469 0.615 0.800 0.333 N 1.286 16 residues pruned to eliminate duplicates Z: 20 9.576 1.521 0.349 0.555 0.789 0.474 CB 1.286 20 residues pruned to eliminate duplicates Z: 18 10.674 1.519 0.485 0.592 0.824 0.588 CB 1.277 18 residues pruned to eliminate duplicates Z: 17 10.222 1.527 0.468 0.598 0.812 0.438 N 1.278 17 residues pruned to eliminate duplicates Z: 16 12.203 1.577 0.474 0.641 0.867 0.400 N 1.371 16 residues pruned to eliminate duplicates Z: 16 9.443 1.545 0.359 0.634 0.733 0.333 N 1.397 16 residues pruned to eliminate duplicates Z: 17 10.526 1.575 0.490 0.637 0.750 0.375 CB 1.315 17 residues pruned to eliminate duplicates Z: 18 10.386 1.448 0.548 0.574 0.824 0.353 O 1.270 18 residues pruned to eliminate duplicates Z: 8 3.029 1.409 -0.039 0.291 0.857 0.286 CA 1.247 Z: 9 4.966 1.423 0.735 0.848 0.750 0.625 CB 0.703 Z: 6 3.090 1.462 0.642 0.824 0.600 0.400 CB 0.725 6 residues pruned to eliminate duplicates Z: 14 11.373 1.455 0.430 0.838 1.000 0.615 CB 1.133 23 residues pruned to eliminate duplicates Z: 9 8.519 1.483 0.830 0.768 0.750 0.500 CB 1.167 9 residues pruned to eliminate duplicates Z: 8 10.551 1.635 0.949 0.739 0.857 0.571 CB 1.178 8 residues pruned to eliminate duplicates Z: 15 10.492 1.501 0.537 0.625 0.857 0.571 CB 1.261 15 residues pruned to eliminate duplicates Z: 10 10.722 1.505 1.061 0.741 0.778 0.778 CB 1.194 10 residues pruned to eliminate duplicates Z: 12 7.975 1.409 0.307 0.792 0.909 0.818 CA 1.112 12 residues pruned to eliminate duplicates Z: 13 8.813 1.478 0.545 0.679 0.917 0.667 CB 1.030 13 residues pruned to eliminate duplicates Z: 11 7.700 1.440 0.348 0.802 1.000 0.900 CB 0.964 11 residues pruned to eliminate duplicates Z: 6 5.904 1.516 0.093 0.851 1.000 0.800 CB 1.179 6 residues pruned to eliminate duplicates Z: 10 4.779 1.452 0.099 0.711 0.778 0.667 CB 1.060 10 residues pruned to eliminate duplicates Z: 8 5.218 1.520 0.040 0.667 1.000 0.571 CA 1.070 8 residues pruned to eliminate duplicates Z: 9 7.279 1.581 0.109 0.803 0.875 0.625 CB 1.287 9 residues pruned to eliminate duplicates Z: 9 7.700 1.512 0.542 0.562 0.875 0.500 CB 1.256 9 residues pruned to eliminate duplicates Z: 9 8.889 1.541 0.239 0.816 1.000 0.500 CB 1.251 9 residues pruned to eliminate duplicates Z: 17 8.755 1.503 0.359 0.670 0.875 0.562 CB 1.047 17 residues pruned to eliminate duplicates Z: 12 8.449 1.520 0.166 0.838 0.909 0.727 CB 1.182 12 residues pruned to eliminate duplicates Z: 14 8.644 1.611 0.301 0.526 0.923 0.538 CB 1.207 14 residues pruned to eliminate duplicates Z: 7 4.615 1.165 1.134 0.710 0.833 0.500 CB 0.752 7 residues pruned to eliminate duplicates 519 residues left after pruning, divided into chains as follows: A: 48 B: 7 C: 70 D: 29 E: 134 F: 53 G: 51 H: 61 I: 14 J: 10 K: 42 CC for partial structure against native data = 48.33 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.473, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.547, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.674, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.681, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.690, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.692, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.694, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.695, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.695, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.695, Connect. = 0.801 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.02 - 3.97 - 3.46 - 3.14 - 2.91 - 2.74 - 2.60 - 2.49 - 2.39 - 2.31 0.692 0.751 0.715 0.667 0.664 0.642 0.658 0.661 0.614 0.595 0.848 0.890 0.854 0.804 0.809 0.782 0.797 0.808 0.751 0.724 N 3459 3480 3462 3469 3513 3391 3488 3346 3543 3310 Estimated mean FOM = 0.666 Pseudo-free CC = 68.79 % Best trace (cycle 4 with CC 48.33%) was saved as ./2iiu-2.3-parrot-noncs/2iiu-2.3-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 2.4 - Setup, data input and phasing 18.1 - FFTs and peak-searches 34.0 - Sphere of influence 0.3 - Rest of density modification 0.0 - Alpha-helix search 754.3 - Tripeptide search 6487.6 - Chain tracing 0.0 - NCS analysis 36.7 - B-value refinement for trace 0.7 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:58:05 Total time: 7334.19 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 122.95 Used memory is bytes: 11695576