null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:35:59 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 = 0.139, Connect. = 0.588 for dens.mod. cycle 1 = 0.300, Contrast = 0.322, Connect. = 0.638 for dens.mod. cycle 2 = 0.300, Contrast = 0.528, Connect. = 0.730 for dens.mod. cycle 3 = 0.300, Contrast = 0.602, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.633, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.651, Connect. = 0.777 for dens.mod. cycle 6 = 0.300, Contrast = 0.660, Connect. = 0.781 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.671, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.675, Connect. = 0.789 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2548 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 586 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 52.045 2.086 1.118 0.939 1.000 0.862 CA 1.520 B: 35 38.535 1.864 0.779 0.938 1.000 0.794 CA 1.386 C: 23 29.999 1.985 0.660 0.903 1.000 0.864 CA 1.383 23 residues pruned to eliminate duplicates D: 30 48.874 2.061 1.071 0.947 1.000 0.931 CA 1.470 30 residues pruned to eliminate duplicates E: 31 44.608 1.983 1.026 0.932 1.000 0.833 CB 1.416 F: 30 57.368 2.096 1.259 0.954 1.000 0.793 CA 1.547 30 residues pruned to eliminate duplicates G: 33 37.483 1.917 0.718 0.953 1.000 0.906 CB 1.384 33 residues pruned to eliminate duplicates H: 30 39.926 1.930 0.888 0.929 0.966 0.690 CA 1.475 I: 38 49.125 1.887 1.130 0.927 0.973 0.838 CB 1.446 J: 31 38.830 1.913 0.950 0.902 0.967 0.700 CA 1.402 30 residues pruned to eliminate duplicates K: 31 38.836 1.967 0.749 0.935 1.000 0.867 CB 1.437 31 residues pruned to eliminate duplicates L: 27 35.933 1.913 0.881 0.926 0.923 0.808 CA 1.487 M: 27 34.354 1.941 0.856 0.926 1.000 0.808 CA 1.312 N: 18 18.350 1.816 0.390 0.872 0.941 0.882 CA 1.365 O: 24 27.613 1.911 0.919 0.923 0.913 0.609 CB 1.208 24 residues pruned to eliminate duplicates P: 26 32.390 1.986 0.731 0.933 0.960 0.840 CB 1.369 26 residues pruned to eliminate duplicates Q: 26 28.545 1.971 0.885 0.951 0.880 0.640 CB 1.203 26 residues pruned to eliminate duplicates R: 26 30.891 1.877 0.803 0.890 0.960 0.720 CB 1.369 26 residues pruned to eliminate duplicates S: 31 48.782 2.029 1.111 0.949 1.000 0.900 CA 1.434 30 residues pruned to eliminate duplicates T: 29 43.202 2.012 0.976 0.947 1.000 0.750 CB 1.420 30 residues pruned to eliminate duplicates U: 12 24.945 1.960 0.648 0.915 1.000 1.000 CA 1.645 12 residues pruned to eliminate duplicates V: 30 51.012 2.060 1.179 0.958 1.000 0.793 CB 1.448 31 residues pruned to eliminate duplicates W: 37 25.007 1.710 0.636 0.927 0.944 0.583 CB 1.105 X: 26 28.770 1.966 0.492 0.927 1.000 0.880 CA 1.375 26 residues pruned to eliminate duplicates Y: 21 27.237 1.858 0.808 0.835 1.000 0.800 CA 1.358 18 residues pruned to eliminate duplicates Z: 29 37.589 2.004 0.809 0.944 0.964 0.857 CB 1.408 29 residues pruned to eliminate duplicates Z: 34 27.895 1.870 0.439 0.927 1.000 0.818 CA 1.264 34 residues pruned to eliminate duplicates Z: 21 28.651 1.862 0.830 0.888 1.000 0.800 CA 1.354 21 residues pruned to eliminate duplicates Z: 17 27.249 2.035 0.779 0.915 0.938 0.625 CB 1.419 17 residues pruned to eliminate duplicates Z: 37 31.436 1.712 0.953 0.916 0.944 0.667 CB 1.171 37 residues pruned to eliminate duplicates Z: 22 23.807 1.821 0.711 0.764 1.000 0.667 CB 1.320 19 residues pruned to eliminate duplicates Z: 28 36.138 1.895 1.001 0.881 0.926 0.741 CA 1.434 28 residues pruned to eliminate duplicates Z: 24 31.165 1.979 0.624 0.927 1.000 0.913 CA 1.416 24 residues pruned to eliminate duplicates Z: 16 31.757 2.084 0.781 0.937 1.000 0.867 CA 1.537 16 residues pruned to eliminate duplicates Z: 30 43.120 1.996 0.949 0.948 1.000 0.759 CB 1.421 30 residues pruned to eliminate duplicates Z: 31 37.224 1.985 0.774 0.933 1.000 0.933 CA 1.347 31 residues pruned to eliminate duplicates Z: 18 26.860 2.011 0.832 0.938 0.941 0.824 CA 1.307 18 residues pruned to eliminate duplicates Z: 29 54.264 2.070 1.200 0.956 1.000 0.679 CA 1.546 29 residues pruned to eliminate duplicates Z: 36 20.395 1.745 0.774 0.579 0.886 0.571 CB 1.166 Z: 39 49.828 1.867 1.122 0.934 1.000 0.605 CA 1.422 38 residues pruned to eliminate duplicates Z: 30 54.489 2.052 1.272 0.960 1.000 0.655 CB 1.486 30 residues pruned to eliminate duplicates Z: 27 26.294 1.800 0.493 0.916 1.000 0.923 CB 1.354 Z: 30 41.062 2.015 0.723 0.947 1.000 0.966 CB 1.517 30 residues pruned to eliminate duplicates Z: 21 23.388 1.950 0.330 0.909 1.000 0.900 CA 1.431 21 residues pruned to eliminate duplicates Z: 29 40.818 2.004 0.815 0.947 1.000 0.786 CB 1.466 29 residues pruned to eliminate duplicates Z: 30 53.459 2.093 1.140 0.955 1.000 0.862 CA 1.523 30 residues pruned to eliminate duplicates Z: 25 26.959 1.967 0.502 0.941 0.958 0.875 CB 1.349 25 residues pruned to eliminate duplicates Z: 30 48.267 2.079 0.983 0.949 1.000 0.793 CA 1.500 30 residues pruned to eliminate duplicates Z: 29 26.536 1.740 0.599 0.902 1.000 0.821 CA 1.285 21 residues pruned to eliminate duplicates Z: 37 49.226 1.918 1.196 0.919 1.000 0.750 CA 1.373 37 residues pruned to eliminate duplicates Z: 26 35.450 2.010 0.905 0.942 0.960 0.840 CB 1.337 27 residues pruned to eliminate duplicates Z: 19 36.027 1.935 0.944 0.948 1.000 0.889 CA 1.559 19 residues pruned to eliminate duplicates Z: 28 27.339 1.986 0.298 0.953 1.000 1.000 CA 1.404 28 residues pruned to eliminate duplicates Z: 30 48.143 2.047 1.225 0.927 1.000 0.621 CB 1.376 30 residues pruned to eliminate duplicates Z: 19 28.551 1.845 0.895 0.897 1.000 0.944 CA 1.377 19 residues pruned to eliminate duplicates Z: 37 47.531 1.954 1.052 0.941 1.000 0.889 CA 1.371 37 residues pruned to eliminate duplicates Z: 36 53.420 1.933 1.176 0.934 1.000 0.771 CA 1.497 39 residues pruned to eliminate duplicates Z: 42 38.163 1.950 0.942 0.815 0.951 0.683 CB 1.258 44 residues pruned to eliminate duplicates Z: 23 32.445 1.969 0.638 0.947 1.000 1.000 CA 1.481 23 residues pruned to eliminate duplicates Z: 37 50.461 1.916 1.160 0.916 0.972 0.861 CA 1.476 37 residues pruned to eliminate duplicates Z: 28 30.681 1.905 0.660 0.904 0.963 0.852 CA 1.381 28 residues pruned to eliminate duplicates Z: 26 35.777 1.898 0.871 0.941 0.960 0.720 CA 1.456 26 residues pruned to eliminate duplicates Z: 25 35.455 1.959 0.860 0.935 0.958 0.792 CA 1.443 25 residues pruned to eliminate duplicates Z: 32 45.549 1.977 1.198 0.950 1.000 0.419 CB 1.298 22 residues pruned to eliminate duplicates Z: 14 13.233 1.519 0.797 0.912 1.000 0.615 CB 0.952 Z: 30 47.256 2.038 0.950 0.956 1.000 0.862 CB 1.516 30 residues pruned to eliminate duplicates Z: 36 44.976 1.996 0.997 0.956 0.971 0.686 CA 1.348 36 residues pruned to eliminate duplicates Z: 29 28.965 1.714 0.793 0.943 1.000 0.643 CB 1.234 27 residues pruned to eliminate duplicates Z: 25 27.925 1.747 0.796 0.918 1.000 0.833 CB 1.281 30 residues pruned to eliminate duplicates Z: 30 39.976 1.912 0.826 0.933 1.000 0.690 CA 1.484 30 residues pruned to eliminate duplicates Z: 30 53.225 2.062 1.245 0.936 1.000 0.724 CB 1.487 30 residues pruned to eliminate duplicates Z: 26 28.008 2.009 0.320 0.946 1.000 0.960 CA 1.460 26 residues pruned to eliminate duplicates Z: 29 47.968 2.089 1.010 0.947 1.000 0.857 CA 1.491 29 residues pruned to eliminate duplicates Z: 28 30.517 1.919 0.603 0.925 1.000 0.926 CA 1.340 27 residues pruned to eliminate duplicates Z: 25 26.485 1.820 0.631 0.893 1.000 0.792 CA 1.307 Z: 28 31.441 1.898 0.834 0.899 0.926 0.815 CA 1.342 28 residues pruned to eliminate duplicates Z: 31 36.796 1.925 0.790 0.920 0.967 0.867 CA 1.420 31 residues pruned to eliminate duplicates Z: 29 41.275 2.028 0.724 0.959 1.000 0.893 CB 1.529 29 residues pruned to eliminate duplicates Z: 27 31.011 1.786 0.999 0.901 0.923 0.654 CB 1.317 25 residues pruned to eliminate duplicates Z: 25 27.102 1.766 0.849 0.893 0.917 0.667 CB 1.327 25 residues pruned to eliminate duplicates Z: 38 30.370 1.674 0.873 0.920 1.000 0.757 CB 1.122 37 residues pruned to eliminate duplicates Z: 30 54.961 2.086 1.244 0.942 1.000 0.759 CA 1.512 30 residues pruned to eliminate duplicates Z: 30 42.535 2.026 0.795 0.947 1.000 0.966 CB 1.501 30 residues pruned to eliminate duplicates Z: 37 45.278 1.928 0.970 0.919 0.972 0.778 CA 1.440 37 residues pruned to eliminate duplicates Z: 23 29.514 1.844 0.718 0.898 1.000 0.818 CB 1.420 26 residues pruned to eliminate duplicates Z: 31 49.375 2.054 1.109 0.922 0.967 0.833 CA 1.514 31 residues pruned to eliminate duplicates Z: 19 35.857 1.973 0.956 0.908 1.000 0.722 CA 1.556 19 residues pruned to eliminate duplicates Z: 27 24.642 1.887 0.510 0.906 0.962 0.808 CA 1.255 27 residues pruned to eliminate duplicates Z: 30 44.894 2.037 1.041 0.931 0.966 0.931 CA 1.451 30 residues pruned to eliminate duplicates Z: 30 38.233 2.009 0.605 0.936 1.000 0.966 CA 1.533 30 residues pruned to eliminate duplicates Z: 27 29.427 1.917 0.649 0.899 0.962 0.769 CA 1.358 27 residues pruned to eliminate duplicates Z: 21 38.137 1.942 1.120 0.925 1.000 0.850 CA 1.453 21 residues pruned to eliminate duplicates Z: 28 27.630 1.909 0.840 0.903 0.963 0.741 CA 1.120 28 residues pruned to eliminate duplicates Z: 18 22.843 1.884 0.496 0.925 0.941 0.941 CB 1.466 18 residues pruned to eliminate duplicates Z: 23 34.076 1.889 0.969 0.941 1.000 0.818 CB 1.356 25 residues pruned to eliminate duplicates Z: 37 41.358 1.931 0.907 0.920 1.000 0.917 CA 1.318 37 residues pruned to eliminate duplicates Z: 29 29.834 1.763 0.748 0.941 1.000 0.786 CB 1.269 30 residues pruned to eliminate duplicates Z: 38 41.775 1.899 0.937 0.921 1.000 0.811 CA 1.314 38 residues pruned to eliminate duplicates Z: 20 32.604 1.913 0.981 0.826 1.000 0.842 CA 1.489 20 residues pruned to eliminate duplicates Z: 12 20.480 1.792 0.793 0.943 1.000 0.818 CA 1.332 Z: 35 33.148 1.776 0.735 0.931 0.971 0.824 CB 1.329 25 residues pruned to eliminate duplicates Z: 37 54.564 1.917 1.290 0.939 1.000 0.861 CA 1.439 36 residues pruned to eliminate duplicates Z: 41 46.057 1.881 1.054 0.840 0.975 0.675 CA 1.443 43 residues pruned to eliminate duplicates Z: 31 41.972 1.963 0.884 0.950 1.000 0.767 CB 1.430 31 residues pruned to eliminate duplicates Z: 29 39.844 1.971 0.960 0.962 1.000 0.750 CB 1.334 29 residues pruned to eliminate duplicates Z: 51 32.322 1.729 0.892 0.892 0.880 0.580 CB 1.141 51 residues pruned to eliminate duplicates Z: 30 41.280 2.041 0.875 0.929 0.966 0.931 CA 1.452 30 residues pruned to eliminate duplicates Z: 26 35.674 2.029 0.829 0.960 1.000 0.840 CB 1.317 26 residues pruned to eliminate duplicates Z: 30 40.205 2.019 0.796 0.938 1.000 0.759 CB 1.432 30 residues pruned to eliminate duplicates Z: 29 48.612 1.973 1.254 0.938 1.000 0.679 CB 1.436 30 residues pruned to eliminate duplicates Z: 37 44.249 1.934 0.965 0.931 1.000 0.889 CA 1.356 37 residues pruned to eliminate duplicates Z: 62 52.871 1.847 0.913 0.923 0.967 0.705 CA 1.391 97 residues pruned to eliminate duplicates Z: 29 37.897 2.009 0.706 0.934 0.964 0.821 CA 1.511 29 residues pruned to eliminate duplicates Z: 35 33.763 1.949 0.747 0.921 0.941 0.765 CA 1.272 35 residues pruned to eliminate duplicates Z: 32 40.969 1.923 0.946 0.922 1.000 0.742 CB 1.382 32 residues pruned to eliminate duplicates Z: 37 31.472 1.724 0.763 0.921 1.000 0.778 CB 1.215 37 residues pruned to eliminate duplicates Z: 30 21.883 1.637 0.621 0.860 1.000 0.690 CA 1.126 Z: 26 33.122 1.940 0.755 0.937 1.000 0.840 CA 1.355 27 residues pruned to eliminate duplicates Z: 24 28.034 1.856 0.979 0.911 1.000 0.348 CB 1.128 Z: 34 38.577 1.890 1.147 0.930 0.939 0.515 CB 1.232 34 residues pruned to eliminate duplicates Z: 19 25.592 1.831 0.914 0.888 0.944 0.889 CA 1.313 19 residues pruned to eliminate duplicates Z: 31 32.391 1.863 0.654 0.921 1.000 0.800 CA 1.350 31 residues pruned to eliminate duplicates Z: 26 28.850 1.796 0.776 0.936 1.000 0.720 CB 1.261 26 residues pruned to eliminate duplicates Z: 37 53.064 1.917 1.225 0.936 1.000 0.694 CA 1.444 37 residues pruned to eliminate duplicates Z: 13 25.396 2.016 0.677 0.932 1.000 1.000 CA 1.513 13 residues pruned to eliminate duplicates Z: 37 50.169 1.959 1.129 0.948 0.972 0.694 CB 1.424 37 residues pruned to eliminate duplicates Z: 20 33.351 1.945 0.983 0.902 1.000 0.684 CB 1.415 20 residues pruned to eliminate duplicates Z: 26 37.571 1.973 1.067 0.940 1.000 0.640 CB 1.280 26 residues pruned to eliminate duplicates Z: 29 39.175 1.966 0.787 0.940 1.000 0.893 CA 1.463 29 residues pruned to eliminate duplicates Z: 39 37.082 1.836 0.785 0.927 1.000 0.816 CA 1.286 39 residues pruned to eliminate duplicates Z: 60 39.367 1.816 0.683 0.866 0.983 0.763 CB 1.248 60 residues pruned to eliminate duplicates Z: 36 46.767 1.976 1.082 0.949 0.971 0.600 CB 1.365 36 residues pruned to eliminate duplicates Z: 29 32.030 1.787 0.736 0.941 1.000 0.821 CB 1.353 29 residues pruned to eliminate duplicates Z: 21 20.217 1.607 0.776 0.872 0.950 0.550 CB 1.215 21 residues pruned to eliminate duplicates Z: 22 33.365 1.920 1.170 0.927 0.905 0.714 CB 1.353 22 residues pruned to eliminate duplicates Z: 30 43.480 2.020 0.824 0.966 1.000 0.931 CB 1.495 30 residues pruned to eliminate duplicates Z: 20 28.761 1.840 0.910 0.912 1.000 0.789 CB 1.330 20 residues pruned to eliminate duplicates Z: 31 41.249 1.913 0.887 0.909 1.000 0.767 CB 1.481 31 residues pruned to eliminate duplicates Z: 25 27.270 1.812 0.550 0.943 1.000 0.958 CB 1.374 25 residues pruned to eliminate duplicates Z: 37 46.335 1.952 1.083 0.956 0.972 0.806 CA 1.341 37 residues pruned to eliminate duplicates Z: 37 39.483 1.965 0.893 0.796 0.972 0.694 CB 1.403 37 residues pruned to eliminate duplicates Z: 37 33.767 1.738 1.004 0.901 0.944 0.611 CB 1.221 26 residues pruned to eliminate duplicates Z: 18 29.757 1.915 1.017 0.843 0.882 0.588 CA 1.576 18 residues pruned to eliminate duplicates Z: 38 45.615 1.883 1.085 0.950 0.973 0.811 CA 1.354 38 residues pruned to eliminate duplicates Z: 35 35.114 1.803 1.027 0.944 1.000 0.735 CB 1.142 35 residues pruned to eliminate duplicates Z: 25 26.223 1.789 0.962 0.888 0.875 0.375 CB 1.255 25 residues pruned to eliminate duplicates Z: 30 39.187 1.999 0.741 0.937 1.000 0.793 CA 1.455 30 residues pruned to eliminate duplicates Z: 28 24.587 1.674 0.527 0.928 1.000 0.926 CB 1.297 12 residues pruned to eliminate duplicates Z: 31 36.884 1.946 0.645 0.911 1.000 0.900 CA 1.491 31 residues pruned to eliminate duplicates Z: 23 22.936 1.798 0.591 0.905 1.000 0.864 CA 1.217 23 residues pruned to eliminate duplicates Z: 36 37.530 1.989 0.706 0.951 0.971 0.800 CA 1.326 36 residues pruned to eliminate duplicates Z: 27 24.328 1.628 0.617 0.904 0.962 0.808 CA 1.343 27 residues pruned to eliminate duplicates Z: 21 24.344 2.029 0.430 0.943 1.000 0.900 CA 1.300 21 residues pruned to eliminate duplicates Z: 28 27.828 1.676 0.724 0.902 1.000 0.778 CB 1.322 28 residues pruned to eliminate duplicates Z: 25 26.590 1.767 0.849 0.931 1.000 0.542 CB 1.161 25 residues pruned to eliminate duplicates Z: 31 38.947 1.940 0.834 0.939 1.000 0.900 CB 1.389 31 residues pruned to eliminate duplicates Z: 32 42.911 1.896 1.284 0.933 0.903 0.581 CB 1.375 32 residues pruned to eliminate duplicates Z: 28 23.663 1.742 0.587 0.917 1.000 0.815 CA 1.163 30 residues pruned to eliminate duplicates Z: 56 52.333 1.985 0.912 0.787 0.964 0.709 CB 1.499 53 residues pruned to eliminate duplicates Z: 27 27.391 1.749 0.515 0.940 1.000 0.885 CB 1.408 27 residues pruned to eliminate duplicates Z: 28 27.285 1.825 0.604 0.937 0.963 0.889 CB 1.296 28 residues pruned to eliminate duplicates Z: 28 25.857 1.758 0.443 0.931 1.000 0.889 CB 1.371 28 residues pruned to eliminate duplicates Z: 38 37.197 1.900 0.804 0.920 0.946 0.757 CA 1.328 38 residues pruned to eliminate duplicates Z: 23 22.173 1.769 0.796 0.925 0.955 0.364 CB 1.094 23 residues pruned to eliminate duplicates Z: 27 22.900 1.790 0.308 0.933 1.000 0.885 CA 1.339 27 residues pruned to eliminate duplicates Z: 28 20.165 1.706 0.491 0.906 1.000 0.778 CA 1.085 28 residues pruned to eliminate duplicates Z: 28 27.046 1.921 0.699 0.945 0.963 0.741 CA 1.146 28 residues pruned to eliminate duplicates Z: 30 47.216 2.064 1.036 0.962 1.000 1.000 CA 1.427 30 residues pruned to eliminate duplicates Z: 29 39.594 1.998 0.830 0.931 1.000 0.893 CB 1.430 29 residues pruned to eliminate duplicates Z: 37 28.849 1.702 0.624 0.905 1.000 0.833 CB 1.237 38 residues pruned to eliminate duplicates Z: 63 55.450 1.834 0.992 0.915 0.984 0.710 CB 1.385 98 residues pruned to eliminate duplicates Z: 30 41.259 1.878 1.192 0.954 1.000 0.621 CB 1.280 30 residues pruned to eliminate duplicates Z: 10 11.630 1.727 0.713 0.829 0.889 0.778 CA 1.109 10 residues pruned to eliminate duplicates Z: 28 28.218 1.685 0.926 0.923 1.000 0.778 CB 1.175 28 residues pruned to eliminate duplicates Z: 31 34.161 1.940 0.571 0.938 1.000 0.900 CA 1.423 31 residues pruned to eliminate duplicates Z: 30 41.713 2.010 0.736 0.953 1.000 0.897 CB 1.528 30 residues pruned to eliminate duplicates Z: 26 27.970 1.698 0.966 0.921 0.960 0.520 CB 1.229 25 residues pruned to eliminate duplicates Z: 28 26.296 1.701 0.752 0.937 1.000 0.741 CA 1.182 28 residues pruned to eliminate duplicates Z: 32 37.712 1.880 0.862 0.946 1.000 0.516 CB 1.338 32 residues pruned to eliminate duplicates Z: 27 23.908 1.864 0.545 0.937 0.923 0.923 CA 1.228 27 residues pruned to eliminate duplicates Z: 13 19.457 1.759 0.743 0.919 1.000 0.833 CA 1.291 13 residues pruned to eliminate duplicates Z: 30 37.190 1.930 0.839 0.896 0.966 0.862 CA 1.444 30 residues pruned to eliminate duplicates Z: 36 45.312 1.983 0.950 0.951 1.000 0.657 CA 1.365 36 residues pruned to eliminate duplicates Z: 25 28.950 1.894 0.774 0.875 0.917 0.625 CB 1.397 25 residues pruned to eliminate duplicates Z: 30 30.895 1.964 0.492 0.910 0.966 0.931 CA 1.439 30 residues pruned to eliminate duplicates Z: 10 13.617 1.867 0.910 0.869 1.000 0.556 CB 0.930 Z: 28 25.231 1.682 0.561 0.939 1.000 0.926 CB 1.285 28 residues pruned to eliminate duplicates Z: 14 13.055 1.674 0.346 0.866 1.000 0.769 CA 1.177 Z: 21 32.421 1.888 0.860 0.907 1.000 0.850 CA 1.467 21 residues pruned to eliminate duplicates Z: 27 26.519 1.750 0.812 0.898 0.962 0.538 CB 1.220 24 residues pruned to eliminate duplicates Z: 37 42.331 1.933 0.875 0.930 1.000 0.889 CA 1.361 37 residues pruned to eliminate duplicates Z: 30 23.874 1.900 0.761 0.648 0.897 0.552 CB 1.287 30 residues pruned to eliminate duplicates Z: 29 31.630 1.725 0.796 0.920 1.000 0.714 CB 1.360 29 residues pruned to eliminate duplicates Z: 15 14.503 1.656 0.707 0.892 0.929 0.786 CA 1.060 15 residues pruned to eliminate duplicates Z: 14 11.665 1.492 1.092 0.444 0.923 0.538 CB 1.189 14 residues pruned to eliminate duplicates Z: 37 51.326 1.903 1.190 0.930 1.000 0.750 CA 1.435 37 residues pruned to eliminate duplicates Z: 27 23.147 1.722 0.592 0.913 0.962 0.846 CA 1.219 27 residues pruned to eliminate duplicates Z: 23 27.207 1.758 1.007 0.932 0.955 0.500 CA 1.202 23 residues pruned to eliminate duplicates Z: 38 36.806 1.918 0.747 0.920 1.000 0.892 CA 1.271 37 residues pruned to eliminate duplicates Z: 28 35.739 1.870 0.859 0.905 0.963 0.667 CA 1.462 27 residues pruned to eliminate duplicates Z: 27 33.882 1.900 0.785 0.946 1.000 0.846 CA 1.355 27 residues pruned to eliminate duplicates Z: 37 34.701 1.727 1.091 0.922 0.944 0.556 CB 1.193 26 residues pruned to eliminate duplicates Z: 17 22.715 2.016 0.610 0.896 0.938 0.750 CB 1.337 17 residues pruned to eliminate duplicates Z: 37 27.095 1.879 0.588 0.685 0.889 0.722 CB 1.437 37 residues pruned to eliminate duplicates Z: 19 18.795 1.828 0.749 0.848 0.889 0.833 CA 1.157 19 residues pruned to eliminate duplicates Z: 11 13.195 1.830 0.797 0.912 0.900 0.800 CB 0.999 11 residues pruned to eliminate duplicates Z: 28 31.315 1.800 0.941 0.953 0.963 0.630 CB 1.233 28 residues pruned to eliminate duplicates Z: 38 47.025 1.892 1.082 0.922 1.000 0.838 CA 1.380 38 residues pruned to eliminate duplicates Z: 29 30.804 1.934 0.446 0.932 1.000 0.857 CA 1.454 29 residues pruned to eliminate duplicates Z: 8 4.005 1.615 0.488 0.464 0.571 0.286 N 1.144 Z: 30 36.694 2.026 0.821 0.928 0.966 0.931 CA 1.339 30 residues pruned to eliminate duplicates Z: 19 16.698 1.614 0.697 0.836 0.944 0.722 CA 1.139 Z: 38 44.194 1.852 0.973 0.930 1.000 0.811 CA 1.391 38 residues pruned to eliminate duplicates Z: 27 24.596 1.637 0.739 0.917 0.962 0.808 CB 1.244 27 residues pruned to eliminate duplicates Z: 29 41.033 2.013 0.855 0.958 1.000 0.857 CB 1.424 29 residues pruned to eliminate duplicates Z: 18 18.089 1.694 0.634 0.856 1.000 0.706 CB 1.169 18 residues pruned to eliminate duplicates Z: 37 30.130 1.935 0.686 0.928 0.944 0.861 CA 1.142 37 residues pruned to eliminate duplicates Z: 21 21.710 1.611 0.788 0.911 1.000 0.400 CB 1.194 19 residues pruned to eliminate duplicates Z: 36 28.467 1.712 0.915 0.914 1.000 0.571 CB 1.038 36 residues pruned to eliminate duplicates Z: 23 26.393 1.815 0.852 0.874 0.909 0.545 CB 1.340 23 residues pruned to eliminate duplicates Z: 36 38.165 1.914 0.744 0.940 1.000 0.886 CA 1.342 36 residues pruned to eliminate duplicates Z: 28 32.324 1.817 0.913 0.958 1.000 0.667 CB 1.228 28 residues pruned to eliminate duplicates Z: 38 39.202 1.887 0.867 0.932 1.000 0.946 CA 1.277 38 residues pruned to eliminate duplicates Z: 15 10.747 1.454 0.233 0.891 1.000 1.000 CA 1.151 Z: 23 17.941 1.673 0.475 0.887 1.000 0.864 CA 1.118 23 residues pruned to eliminate duplicates Z: 35 36.179 1.960 0.815 0.918 0.971 0.824 CA 1.267 35 residues pruned to eliminate duplicates Z: 31 23.562 1.582 0.597 0.918 0.967 0.767 CB 1.242 21 residues pruned to eliminate duplicates Z: 18 16.542 1.609 0.671 0.844 0.941 0.647 CA 1.179 18 residues pruned to eliminate duplicates Z: 14 10.698 1.607 0.288 0.879 0.923 0.846 CB 1.126 14 residues pruned to eliminate duplicates Z: 37 27.956 1.702 0.680 0.915 0.972 0.611 CB 1.185 37 residues pruned to eliminate duplicates Z: 19 21.863 1.800 0.512 0.898 1.000 1.000 CB 1.354 19 residues pruned to eliminate duplicates Z: 25 24.707 1.948 0.422 0.826 0.958 0.917 CA 1.432 25 residues pruned to eliminate duplicates Z: 35 23.035 1.508 0.552 0.900 1.000 0.735 CB 1.206 31 residues pruned to eliminate duplicates Z: 37 24.354 1.718 0.611 0.908 0.917 0.750 CB 1.136 37 residues pruned to eliminate duplicates Z: 37 28.262 1.706 0.623 0.910 0.972 0.889 CB 1.241 37 residues pruned to eliminate duplicates Z: 19 31.180 1.967 0.938 0.925 1.000 0.722 CB 1.353 19 residues pruned to eliminate duplicates Z: 28 28.641 1.802 0.627 0.920 1.000 0.963 CB 1.323 28 residues pruned to eliminate duplicates Z: 29 32.810 1.990 0.460 0.953 1.000 0.964 CA 1.469 29 residues pruned to eliminate duplicates Z: 11 13.689 1.633 0.802 0.852 0.900 0.600 CB 1.209 11 residues pruned to eliminate duplicates Z: 38 32.499 1.792 0.862 0.758 0.973 0.838 CA 1.308 38 residues pruned to eliminate duplicates Z: 31 42.329 1.886 1.214 0.937 0.967 0.500 CB 1.332 31 residues pruned to eliminate duplicates Z: 37 24.438 1.712 0.425 0.908 0.944 0.861 CB 1.256 37 residues pruned to eliminate duplicates Z: 28 24.410 1.744 0.677 0.865 0.963 0.741 CA 1.222 28 residues pruned to eliminate duplicates Z: 37 32.444 1.921 0.623 0.913 1.000 0.972 CA 1.228 37 residues pruned to eliminate duplicates Z: 30 41.776 2.013 0.798 0.940 1.000 0.897 CB 1.489 30 residues pruned to eliminate duplicates Z: 38 28.040 1.886 0.620 0.915 0.973 0.838 CA 1.096 38 residues pruned to eliminate duplicates Z: 20 23.531 1.842 0.689 0.866 1.000 0.789 CB 1.271 20 residues pruned to eliminate duplicates Z: 36 44.241 1.960 1.134 0.945 0.971 0.457 CB 1.273 36 residues pruned to eliminate duplicates Z: 6 3.453 1.530 0.320 0.289 0.800 0.400 N 1.211 Z: 41 28.286 1.728 0.610 0.877 0.950 0.850 CB 1.229 41 residues pruned to eliminate duplicates Z: 7 3.708 1.449 0.898 0.574 0.667 0.500 CB 0.769 7 residues pruned to eliminate duplicates Z: 13 12.872 1.564 0.779 0.916 0.833 0.583 CB 1.132 13 residues pruned to eliminate duplicates Z: 22 26.396 1.825 0.943 0.898 0.952 0.810 CB 1.220 22 residues pruned to eliminate duplicates Z: 28 35.152 1.915 0.929 0.923 0.963 0.852 CA 1.336 28 residues pruned to eliminate duplicates Z: 26 25.156 1.751 0.639 0.944 0.960 0.880 CA 1.265 26 residues pruned to eliminate duplicates Z: 30 43.889 1.915 1.139 0.906 1.000 0.690 CB 1.415 30 residues pruned to eliminate duplicates Z: 28 27.405 1.675 0.960 0.905 0.963 0.667 CB 1.187 28 residues pruned to eliminate duplicates Z: 21 23.872 1.757 0.800 0.915 0.950 0.650 CA 1.256 23 residues pruned to eliminate duplicates Z: 39 37.799 1.842 0.822 0.921 1.000 0.868 CA 1.285 39 residues pruned to eliminate duplicates Z: 37 29.536 1.720 0.642 0.925 1.000 0.806 CB 1.224 37 residues pruned to eliminate duplicates Z: 37 40.378 1.934 0.929 0.913 0.972 0.917 CA 1.313 37 residues pruned to eliminate duplicates Z: 28 28.935 1.798 0.873 0.936 0.963 0.556 CB 1.196 28 residues pruned to eliminate duplicates Z: 27 23.212 1.695 0.755 0.913 0.923 0.731 CA 1.173 27 residues pruned to eliminate duplicates Z: 26 24.020 1.707 0.547 0.919 0.960 0.880 CA 1.336 26 residues pruned to eliminate duplicates Z: 36 35.820 1.765 1.005 0.934 0.943 0.657 CB 1.265 36 residues pruned to eliminate duplicates Z: 37 31.498 1.950 0.629 0.933 0.972 0.972 CA 1.186 37 residues pruned to eliminate duplicates Z: 22 25.523 1.815 0.649 0.926 1.000 1.000 CB 1.304 22 residues pruned to eliminate duplicates Z: 29 55.621 2.104 1.236 0.965 1.000 0.857 CA 1.525 29 residues pruned to eliminate duplicates Z: 20 24.708 2.061 0.369 0.924 1.000 0.895 CA 1.411 20 residues pruned to eliminate duplicates Z: 20 31.684 1.875 1.311 0.900 1.000 0.579 CB 1.198 20 residues pruned to eliminate duplicates Z: 29 36.051 1.874 1.059 0.901 0.929 0.750 CA 1.357 29 residues pruned to eliminate duplicates Z: 20 22.599 1.782 0.860 0.902 0.895 0.684 CB 1.247 20 residues pruned to eliminate duplicates Z: 28 26.301 1.697 0.687 0.921 1.000 0.741 CB 1.244 28 residues pruned to eliminate duplicates Z: 23 25.006 1.798 0.846 0.885 1.000 0.727 CB 1.160 23 residues pruned to eliminate duplicates Z: 37 34.734 1.933 0.614 0.905 1.000 0.917 CA 1.321 37 residues pruned to eliminate duplicates Z: 9 5.509 1.707 0.117 0.488 0.875 0.500 CB 1.182 7 residues pruned to eliminate duplicates Z: 32 47.762 1.988 1.178 0.948 1.000 0.710 CA 1.368 32 residues pruned to eliminate duplicates Z: 38 30.382 1.722 0.977 0.917 0.919 0.568 CB 1.127 38 residues pruned to eliminate duplicates Z: 37 42.084 1.929 0.879 0.941 0.972 0.694 CA 1.381 37 residues pruned to eliminate duplicates Z: 21 30.909 1.898 0.913 0.878 1.000 0.800 CB 1.381 21 residues pruned to eliminate duplicates Z: 11 9.044 1.466 0.711 0.880 0.900 0.700 CB 0.918 10 residues pruned to eliminate duplicates Z: 9 12.423 1.849 0.415 0.856 1.000 1.000 CA 1.239 9 residues pruned to eliminate duplicates Z: 38 42.364 1.894 1.027 0.908 1.000 0.811 CA 1.288 38 residues pruned to eliminate duplicates Z: 28 14.739 1.422 0.327 0.873 1.000 0.852 CA 1.095 15 residues pruned to eliminate duplicates Z: 21 28.965 1.823 0.978 0.883 0.950 0.550 CB 1.367 21 residues pruned to eliminate duplicates Z: 28 35.543 1.916 0.856 0.923 0.963 0.889 CA 1.403 28 residues pruned to eliminate duplicates Z: 36 54.476 1.944 1.213 0.944 1.000 0.771 CB 1.483 36 residues pruned to eliminate duplicates Z: 28 27.554 1.763 0.780 0.904 1.000 0.741 CB 1.204 28 residues pruned to eliminate duplicates Z: 38 33.641 1.885 0.750 0.910 0.973 0.838 CA 1.221 38 residues pruned to eliminate duplicates Z: 34 21.338 1.459 0.662 0.910 0.970 0.758 CB 1.120 37 residues pruned to eliminate duplicates Z: 27 25.106 1.668 0.606 0.921 1.000 0.923 CB 1.294 27 residues pruned to eliminate duplicates Z: 38 37.588 1.897 0.798 0.934 1.000 0.865 CA 1.264 38 residues pruned to eliminate duplicates Z: 33 19.829 1.530 0.429 0.872 0.969 0.688 CB 1.206 33 residues pruned to eliminate duplicates Z: 29 24.364 1.725 0.893 0.747 0.929 0.643 CB 1.217 29 residues pruned to eliminate duplicates Z: 28 25.747 1.673 0.725 0.922 0.963 0.926 CB 1.254 28 residues pruned to eliminate duplicates Z: 33 30.490 1.865 0.521 0.929 0.969 0.844 CA 1.373 33 residues pruned to eliminate duplicates Z: 17 12.344 1.465 0.590 0.891 0.938 0.812 CB 1.016 17 residues pruned to eliminate duplicates Z: 30 44.656 2.018 0.983 0.950 0.966 0.621 CB 1.480 30 residues pruned to eliminate duplicates Z: 14 14.030 1.683 0.517 0.801 0.923 0.692 CB 1.269 14 residues pruned to eliminate duplicates Z: 7 9.265 1.448 1.191 0.774 0.833 0.333 CA 1.123 7 residues pruned to eliminate duplicates Z: 9 5.026 1.257 0.802 0.836 1.000 0.625 CB 0.587 Z: 9 8.499 1.586 0.829 0.813 1.000 0.875 CB 0.789 Z: 9 9.162 1.484 0.522 0.889 1.000 1.000 CB 1.033 8 residues pruned to eliminate duplicates Z: 23 29.766 1.978 0.982 0.939 0.955 0.818 CA 1.178 23 residues pruned to eliminate duplicates Z: 24 20.574 1.691 0.722 0.838 0.913 0.783 CB 1.205 24 residues pruned to eliminate duplicates Z: 13 22.742 1.811 0.798 0.926 1.000 0.917 CA 1.414 13 residues pruned to eliminate duplicates Z: 28 32.086 1.759 1.025 0.934 1.000 0.519 CB 1.209 29 residues pruned to eliminate duplicates Z: 61 38.507 1.783 0.630 0.917 0.967 0.850 CA 1.249 95 residues pruned to eliminate duplicates Z: 13 22.568 1.777 1.036 0.867 0.917 0.583 CB 1.437 13 residues pruned to eliminate duplicates Z: 23 25.605 1.750 0.957 0.857 0.909 0.727 CA 1.292 23 residues pruned to eliminate duplicates Z: 30 44.276 2.009 0.918 0.952 1.000 0.862 CB 1.470 30 residues pruned to eliminate duplicates Z: 9 20.454 1.845 1.318 0.824 0.875 0.375 CB 1.459 9 residues pruned to eliminate duplicates Z: 23 18.662 1.721 0.284 0.923 0.955 0.864 CB 1.326 23 residues pruned to eliminate duplicates Z: 10 8.365 1.776 -0.019 0.914 1.000 0.889 CA 1.132 10 residues pruned to eliminate duplicates Z: 14 14.174 1.677 0.414 0.914 0.923 0.846 CA 1.270 14 residues pruned to eliminate duplicates Z: 28 26.467 1.742 0.834 0.915 1.000 0.815 CA 1.127 29 residues pruned to eliminate duplicates Z: 27 31.978 1.798 0.933 0.946 1.000 0.615 CB 1.248 27 residues pruned to eliminate duplicates Z: 9 4.701 1.572 0.817 0.379 0.875 0.625 CB 0.756 9 residues pruned to eliminate duplicates Z: 13 11.733 1.547 0.766 0.886 0.917 0.833 CB 0.976 14 residues pruned to eliminate duplicates Z: 21 25.821 1.843 0.996 0.904 1.000 0.700 CB 1.118 21 residues pruned to eliminate duplicates Z: 19 13.041 1.412 0.671 0.939 1.000 0.944 CB 0.906 6 residues pruned to eliminate duplicates Z: 25 26.962 1.734 0.943 0.934 0.958 0.667 CB 1.188 25 residues pruned to eliminate duplicates Z: 32 25.609 1.681 0.680 0.928 0.968 0.677 CB 1.179 32 residues pruned to eliminate duplicates Z: 11 10.393 1.446 0.810 0.895 1.000 0.700 CB 0.900 11 residues pruned to eliminate duplicates Z: 37 42.114 1.930 1.128 0.955 0.917 0.694 CB 1.281 37 residues pruned to eliminate duplicates Z: 24 24.111 1.736 0.756 0.884 0.957 0.870 CB 1.245 24 residues pruned to eliminate duplicates Z: 25 31.873 1.886 0.927 0.881 0.958 0.583 CA 1.353 25 residues pruned to eliminate duplicates Z: 37 43.246 1.941 1.039 0.936 0.944 0.611 CB 1.343 37 residues pruned to eliminate duplicates Z: 20 27.868 1.758 1.109 0.749 0.947 0.842 N 1.457 20 residues pruned to eliminate duplicates 6 1.871 1.390 0.326 0.296 0.600 0.600 O 0.951 ? Z: 24 32.518 1.986 1.077 0.919 0.957 0.783 CB 1.211 24 residues pruned to eliminate duplicates Z: 12 17.383 1.876 0.617 0.853 0.909 0.818 CA 1.405 12 residues pruned to eliminate duplicates Z: 23 18.060 1.583 0.553 0.809 0.955 0.818 CA 1.253 Z: 38 46.739 1.908 1.040 0.932 1.000 0.865 CA 1.378 38 residues pruned to eliminate duplicates Z: 28 24.768 1.730 0.756 0.858 0.963 0.667 CB 1.200 28 residues pruned to eliminate duplicates Z: 28 33.766 1.876 0.797 0.909 1.000 0.704 CA 1.368 28 residues pruned to eliminate duplicates Z: 37 40.455 1.881 0.873 0.913 1.000 0.861 CA 1.355 37 residues pruned to eliminate duplicates Z: 24 14.317 1.667 0.686 0.773 0.913 0.652 CB 0.914 24 residues pruned to eliminate duplicates Z: 34 41.066 1.888 0.915 0.936 1.000 0.576 CB 1.377 34 residues pruned to eliminate duplicates Z: 11 10.640 1.483 0.856 0.900 0.900 0.500 CB 0.970 11 residues pruned to eliminate duplicates Z: 27 32.925 1.737 0.932 0.933 1.000 0.577 CB 1.342 29 residues pruned to eliminate duplicates Z: 36 35.398 1.967 0.688 0.936 1.000 0.829 CA 1.256 36 residues pruned to eliminate duplicates Z: 14 13.449 1.480 0.777 0.948 1.000 0.923 CA 0.980 14 residues pruned to eliminate duplicates Z: 11 4.260 1.502 0.530 0.250 0.800 0.400 N 0.977 11 residues pruned to eliminate duplicates Z: 15 8.313 1.407 0.494 0.880 0.786 0.643 CB 0.975 4 residues pruned to eliminate duplicates Z: 25 16.423 1.736 0.284 0.749 1.000 0.750 CB 1.203 18 residues pruned to eliminate duplicates Z: 14 11.826 1.462 0.694 0.889 0.923 0.769 CB 1.032 14 residues pruned to eliminate duplicates Z: 7 4.554 1.404 0.369 0.709 0.833 0.833 O 0.960 7 residues pruned to eliminate duplicates Z: 29 47.132 2.009 0.990 0.954 1.000 0.929 CA 1.532 29 residues pruned to eliminate duplicates Z: 7 4.616 1.640 0.655 0.532 1.000 0.667 CB 0.673 Z: 12 14.817 1.721 0.550 0.926 1.000 0.909 CA 1.175 12 residues pruned to eliminate duplicates Z: 9 5.710 1.758 -0.003 0.631 0.875 0.375 CB 1.163 9 residues pruned to eliminate duplicates Z: 11 10.085 2.028 0.401 0.504 0.900 0.700 CA 1.242 11 residues pruned to eliminate duplicates Z: 17 14.651 1.530 0.657 0.909 0.938 0.438 CB 1.093 17 residues pruned to eliminate duplicates Z: 16 19.301 1.671 0.780 0.844 0.933 0.867 CA 1.336 16 residues pruned to eliminate duplicates Z: 37 33.610 1.737 0.947 0.919 1.000 0.667 CB 1.168 37 residues pruned to eliminate duplicates Z: 10 10.723 1.524 0.385 0.866 1.000 0.778 O 1.240 10 residues pruned to eliminate duplicates Z: 23 26.237 1.734 0.843 0.918 1.000 0.409 CB 1.234 23 residues pruned to eliminate duplicates Z: 37 26.977 1.696 0.838 0.915 0.972 0.778 CB 1.048 37 residues pruned to eliminate duplicates Z: 28 27.241 1.797 0.527 0.938 1.000 0.963 CB 1.328 28 residues pruned to eliminate duplicates Z: 29 26.083 1.705 0.931 0.755 0.964 0.643 CB 1.237 29 residues pruned to eliminate duplicates Z: 6 2.079 1.416 0.031 0.496 0.800 0.600 CB 0.799 Z: 12 5.494 1.594 0.088 0.498 0.818 0.545 CB 1.169 7 residues pruned to eliminate duplicates Z: 8 2.772 1.620 0.197 0.422 0.857 0.714 CB 0.683 Z: 6 2.329 1.430 0.519 0.349 0.800 0.400 CB 0.706 Z: 6 2.672 1.396 0.258 0.297 0.800 0.400 N 1.066 Z: 9 6.785 1.401 0.609 0.836 0.750 0.625 CB 1.063 9 residues pruned to eliminate duplicates Z: 12 4.009 1.589 0.230 0.413 0.818 0.364 CB 0.827 12 residues pruned to eliminate duplicates Z: 16 15.612 1.569 0.901 0.866 0.867 0.667 CB 1.142 15 residues pruned to eliminate duplicates Z: 10 7.702 1.396 0.543 0.797 0.778 0.333 CA 1.182 10 residues pruned to eliminate duplicates Z: 8 7.931 1.428 0.862 0.885 1.000 0.714 CB 0.814 8 residues pruned to eliminate duplicates Z: 29 21.466 1.680 0.582 0.865 0.964 0.821 CA 1.159 29 residues pruned to eliminate duplicates Z: 29 25.522 1.624 0.725 0.916 1.000 0.786 CB 1.216 28 residues pruned to eliminate duplicates Z: 31 42.719 1.901 1.007 0.919 1.000 0.800 CA 1.440 31 residues pruned to eliminate duplicates Z: 9 5.991 1.247 0.952 0.848 0.875 0.500 CB 0.738 9 residues pruned to eliminate duplicates Z: 7 2.971 1.275 0.488 0.285 0.833 0.167 O 0.976 Z: 30 24.204 1.747 0.667 0.900 0.966 0.724 CB 1.142 30 residues pruned to eliminate duplicates Z: 10 10.369 1.480 1.010 0.839 0.889 0.556 CB 0.976 10 residues pruned to eliminate duplicates Z: 10 11.169 1.382 0.697 0.895 1.000 0.667 CA 1.139 10 residues pruned to eliminate duplicates Z: 9 3.914 1.367 0.551 0.278 0.875 0.375 N 0.959 Z: 10 10.020 1.565 0.917 0.867 0.889 0.556 CB 0.916 10 residues pruned to eliminate duplicates Z: 21 33.381 1.966 0.893 0.928 0.950 0.650 CA 1.478 21 residues pruned to eliminate duplicates Z: 7 3.153 1.378 0.795 0.311 0.833 0.667 CB 0.770 Z: 25 19.310 1.551 0.709 0.864 0.958 0.667 CB 1.138 23 residues pruned to eliminate duplicates Z: 54 47.442 1.907 1.132 0.809 0.943 0.660 CB 1.298 37 residues pruned to eliminate duplicates Z: 12 13.226 1.614 0.841 0.919 0.909 0.636 CB 1.041 12 residues pruned to eliminate duplicates Z: 14 13.519 1.641 0.682 0.687 0.923 0.769 CA 1.240 12 residues pruned to eliminate duplicates Z: 8 5.322 1.367 0.340 0.759 0.857 0.429 CA 1.018 Z: 10 5.838 1.267 0.165 0.886 0.889 0.556 O 1.070 Z: 8 11.583 1.808 0.375 0.835 1.000 0.857 CB 1.319 8 residues pruned to eliminate duplicates Z: 12 8.723 1.423 0.432 0.910 1.000 0.909 CB 0.915 12 residues pruned to eliminate duplicates Z: 13 16.933 1.727 1.000 0.922 0.917 0.833 CB 1.086 13 residues pruned to eliminate duplicates Z: 9 3.272 1.504 0.649 0.235 0.625 0.250 C 1.016 Z: 20 34.596 1.960 1.193 0.943 0.895 0.684 CB 1.430 20 residues pruned to eliminate duplicates Z: 15 12.485 1.797 0.325 0.747 0.857 0.786 CA 1.311 15 residues pruned to eliminate duplicates Z: 31 26.109 1.884 0.798 0.674 0.933 0.567 CB 1.284 31 residues pruned to eliminate duplicates Z: 38 37.506 1.887 0.837 0.919 0.946 0.676 CA 1.325 38 residues pruned to eliminate duplicates Z: 20 19.166 1.764 0.717 0.827 0.947 0.737 CB 1.155 20 residues pruned to eliminate duplicates Z: 14 5.017 1.452 0.331 0.331 0.923 0.462 CB 0.939 Z: 25 30.482 1.919 0.883 0.757 0.958 0.917 CA 1.430 25 residues pruned to eliminate duplicates Z: 22 29.563 1.841 0.867 0.919 1.000 0.762 CB 1.323 22 residues pruned to eliminate duplicates Z: 6 3.192 1.386 0.613 0.287 0.800 0.800 CA 1.015 Z: 20 11.270 1.489 0.388 0.783 0.947 0.737 CB 1.029 20 residues pruned to eliminate duplicates Z: 25 20.857 1.735 1.013 0.683 0.875 0.625 CB 1.177 25 residues pruned to eliminate duplicates Z: 12 3.102 1.431 0.332 0.302 0.636 0.273 CB 0.961 Z: 20 33.228 2.009 1.028 0.904 0.947 0.684 CB 1.407 20 residues pruned to eliminate duplicates Z: 27 15.320 1.456 0.480 0.886 0.962 0.654 CB 1.046 27 residues pruned to eliminate duplicates Z: 19 15.129 1.580 0.717 0.822 0.889 0.500 CA 1.119 19 residues pruned to eliminate duplicates Z: 29 19.105 1.541 0.367 0.925 0.964 0.857 CB 1.248 29 residues pruned to eliminate duplicates Z: 14 10.453 1.474 0.711 0.774 1.000 0.769 CA 0.902 14 residues pruned to eliminate duplicates Z: 9 3.248 1.470 0.617 0.217 0.625 0.250 CB 1.079 Z: 6 3.891 1.233 0.035 0.856 1.000 0.400 C 1.005 Z: 23 20.227 1.598 0.726 0.882 0.955 0.682 CB 1.185 23 residues pruned to eliminate duplicates Z: 6 4.211 1.297 0.667 0.401 1.000 0.600 O 0.966 Z: 14 13.514 1.507 0.876 0.881 0.923 0.154 CB 1.040 14 residues pruned to eliminate duplicates Z: 27 14.389 1.443 0.409 0.902 0.923 0.808 CA 1.072 27 residues pruned to eliminate duplicates Z: 13 5.342 1.555 0.137 0.402 0.833 0.500 CB 1.159 13 residues pruned to eliminate duplicates Z: 10 11.409 1.319 0.721 0.886 1.000 0.667 CA 1.208 10 residues pruned to eliminate duplicates Z: 32 36.575 1.923 0.757 0.949 1.000 0.806 CB 1.341 32 residues pruned to eliminate duplicates Z: 18 22.516 1.853 0.442 0.953 1.000 0.765 CA 1.407 18 residues pruned to eliminate duplicates Z: 29 21.939 1.674 0.849 0.872 0.857 0.571 CB 1.139 27 residues pruned to eliminate duplicates Z: 14 5.645 1.460 0.271 0.366 0.846 0.615 CA 1.151 13 residues pruned to eliminate duplicates Z: 11 6.031 1.522 0.174 0.475 0.900 0.600 N 1.216 11 residues pruned to eliminate duplicates Z: 14 10.648 1.453 0.363 0.883 1.000 0.846 CB 1.079 14 residues pruned to eliminate duplicates Z: 53 41.521 1.875 0.943 0.851 0.962 0.692 CB 1.217 53 residues pruned to eliminate duplicates Z: 24 21.485 1.754 0.582 0.910 1.000 0.870 CA 1.144 24 residues pruned to eliminate duplicates Z: 21 12.926 1.434 0.281 0.894 1.000 0.900 CA 1.129 21 residues pruned to eliminate duplicates Z: 6 4.414 1.497 0.470 0.799 1.000 0.600 CB 0.690 6 residues pruned to eliminate duplicates Z: 6 3.364 1.567 0.216 0.225 0.800 0.600 CA 1.362 5 residues pruned to eliminate duplicates Z: 16 24.304 1.850 0.889 0.899 0.867 0.733 CA 1.481 16 residues pruned to eliminate duplicates 549 residues left after pruning, divided into chains as follows: A: 71 B: 59 C: 28 D: 26 E: 22 F: 7 G: 56 H: 36 I: 30 J: 30 K: 31 L: 26 M: 62 N: 32 O: 33 CC for partial structure against native data = 49.08 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.447, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.528, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.638, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.652, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.665, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.668, Connect. = 0.793 for dens.mod. cycle 6 = 0.300, Contrast = 0.673, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.675, Connect. = 0.795 for dens.mod. cycle 8 = 0.300, Contrast = 0.677, Connect. = 0.796 for dens.mod. cycle 9 = 0.300, Contrast = 0.677, Connect. = 0.796 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 577 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 39 46.005 1.954 0.942 0.938 1.000 0.921 CA 1.368 B: 22 33.423 2.038 0.891 0.860 0.952 0.905 CA 1.461 23 residues pruned to eliminate duplicates C: 17 23.868 2.246 0.367 0.944 1.000 0.938 CB 1.347 D: 24 36.487 2.124 0.683 0.943 1.000 0.826 CA 1.475 E: 26 41.049 2.164 0.792 0.941 0.960 0.680 CB 1.529 24 residues pruned to eliminate duplicates F: 33 32.875 1.994 0.500 0.941 1.000 0.781 CB 1.348 17 residues pruned to eliminate duplicates G: 31 43.429 2.054 0.800 0.937 1.000 0.833 CB 1.493 H: 35 31.194 1.978 0.468 0.957 1.000 0.853 CB 1.264 35 residues pruned to eliminate duplicates I: 30 25.435 1.914 0.717 0.720 0.897 0.621 CB 1.315 J: 30 41.414 2.007 0.753 0.904 1.000 0.897 CB 1.558 K: 30 49.992 2.165 0.975 0.933 1.000 0.793 CA 1.515 L: 30 52.392 2.117 1.028 0.956 1.000 0.724 CA 1.557 31 residues pruned to eliminate duplicates M: 32 42.997 1.998 0.893 0.942 0.968 0.742 CB 1.463 32 residues pruned to eliminate duplicates N: 30 53.847 2.156 1.087 0.956 1.000 0.862 CA 1.527 29 residues pruned to eliminate duplicates O: 38 50.033 1.989 1.040 0.938 1.000 0.892 CA 1.410 38 residues pruned to eliminate duplicates P: 22 41.302 2.093 1.048 0.904 0.952 0.667 CB 1.573 Q: 30 41.364 2.060 0.760 0.934 1.000 0.862 CB 1.477 30 residues pruned to eliminate duplicates R: 26 38.653 2.000 0.894 0.935 0.920 0.720 CA 1.546 22 residues pruned to eliminate duplicates S: 26 38.898 2.031 0.797 0.949 1.000 0.840 CA 1.471 26 residues pruned to eliminate duplicates T: 25 26.372 2.158 0.234 0.942 1.000 0.958 CB 1.401 25 residues pruned to eliminate duplicates U: 34 32.547 2.048 0.464 0.928 0.970 0.758 CB 1.365 33 residues pruned to eliminate duplicates V: 30 41.228 1.969 0.751 0.927 1.000 0.759 CA 1.556 30 residues pruned to eliminate duplicates W: 30 45.811 2.060 0.952 0.951 1.000 0.828 CB 1.458 31 residues pruned to eliminate duplicates X: 30 51.983 2.136 1.108 0.948 1.000 0.759 CA 1.481 30 residues pruned to eliminate duplicates Y: 35 32.450 2.024 0.406 0.937 1.000 0.794 CA 1.361 35 residues pruned to eliminate duplicates Z: 32 41.837 2.024 0.703 0.929 1.000 0.839 CA 1.525 32 residues pruned to eliminate duplicates Z: 30 29.123 2.086 0.397 0.945 0.966 0.793 CB 1.330 30 residues pruned to eliminate duplicates Z: 21 30.968 2.207 0.614 0.941 0.950 0.950 CB 1.420 21 residues pruned to eliminate duplicates Z: 37 38.696 1.931 0.850 0.929 0.972 0.611 CB 1.299 27 residues pruned to eliminate duplicates Z: 39 46.929 1.945 0.941 0.923 1.000 0.842 CA 1.417 39 residues pruned to eliminate duplicates Z: 28 36.154 1.960 0.857 0.915 0.926 0.667 CA 1.459 28 residues pruned to eliminate duplicates Z: 27 32.586 2.010 0.618 0.923 0.923 0.846 CA 1.496 27 residues pruned to eliminate duplicates Z: 21 31.869 1.962 0.821 0.880 1.000 0.750 CA 1.445 30 residues pruned to eliminate duplicates Z: 28 28.026 1.948 0.477 0.924 0.963 0.852 CA 1.366 28 residues pruned to eliminate duplicates Z: 30 46.343 2.154 0.864 0.924 1.000 0.897 CA 1.504 30 residues pruned to eliminate duplicates Z: 59 41.581 1.985 0.605 0.796 0.931 0.759 CB 1.421 31 residues pruned to eliminate duplicates Z: 38 46.486 1.978 0.966 0.929 1.000 0.676 CA 1.375 38 residues pruned to eliminate duplicates Z: 23 32.163 2.164 0.714 0.938 0.955 0.773 CB 1.347 23 residues pruned to eliminate duplicates Z: 32 42.889 2.003 0.740 0.931 1.000 0.806 CB 1.545 32 residues pruned to eliminate duplicates Z: 20 41.367 2.057 1.177 0.951 1.000 0.684 CB 1.460 21 residues pruned to eliminate duplicates Z: 26 32.847 1.951 0.635 0.885 0.960 0.840 CA 1.549 26 residues pruned to eliminate duplicates Z: 24 23.247 1.919 0.682 0.751 0.870 0.609 CB 1.380 24 residues pruned to eliminate duplicates Z: 35 41.635 2.012 0.717 0.943 1.000 0.853 CB 1.432 35 residues pruned to eliminate duplicates Z: 20 24.576 1.859 0.546 0.921 1.000 0.947 CB 1.380 Z: 32 32.631 2.033 0.549 0.963 1.000 0.935 CB 1.272 33 residues pruned to eliminate duplicates Z: 37 45.124 1.984 0.908 0.927 0.972 0.833 CA 1.432 37 residues pruned to eliminate duplicates Z: 35 37.776 2.072 0.689 0.834 0.941 0.765 CB 1.474 35 residues pruned to eliminate duplicates Z: 31 42.253 2.039 0.896 0.914 1.000 0.800 CB 1.411 31 residues pruned to eliminate duplicates Z: 23 14.839 1.780 0.649 0.834 0.864 0.682 CB 0.936 Z: 22 32.890 2.051 0.690 0.923 0.952 0.810 CB 1.529 22 residues pruned to eliminate duplicates Z: 27 33.431 2.060 0.931 0.927 0.923 0.500 CB 1.251 27 residues pruned to eliminate duplicates Z: 26 26.237 1.904 0.404 0.901 0.960 0.840 CA 1.459 18 residues pruned to eliminate duplicates Z: 17 26.673 1.892 0.942 0.929 0.938 0.625 CB 1.355 Z: 31 45.518 2.075 1.026 0.908 0.967 0.567 CB 1.453 31 residues pruned to eliminate duplicates Z: 27 30.357 2.031 0.884 0.900 0.923 0.538 CB 1.204 27 residues pruned to eliminate duplicates Z: 17 28.080 2.044 0.775 0.864 0.938 0.750 CA 1.513 17 residues pruned to eliminate duplicates Z: 35 29.599 1.770 0.849 0.908 1.000 0.676 CB 1.101 23 residues pruned to eliminate duplicates Z: 36 32.625 2.005 0.431 0.944 1.000 0.857 CA 1.331 36 residues pruned to eliminate duplicates Z: 21 24.209 1.967 0.723 0.823 0.950 0.800 CA 1.271 21 residues pruned to eliminate duplicates Z: 26 39.314 2.119 0.720 0.936 1.000 0.800 CA 1.503 26 residues pruned to eliminate duplicates Z: 30 39.491 1.948 0.960 0.894 0.966 0.759 CB 1.427 30 residues pruned to eliminate duplicates Z: 30 33.413 2.016 0.592 0.933 1.000 0.724 CB 1.349 28 residues pruned to eliminate duplicates Z: 21 26.602 1.942 0.700 0.891 1.000 0.850 CA 1.296 21 residues pruned to eliminate duplicates Z: 37 34.773 1.937 0.600 0.934 0.972 0.861 CA 1.341 37 residues pruned to eliminate duplicates Z: 31 37.414 2.046 0.487 0.938 1.000 1.000 CB 1.561 31 residues pruned to eliminate duplicates Z: 33 41.355 2.031 0.928 0.945 1.000 0.500 CB 1.292 33 residues pruned to eliminate duplicates Z: 30 26.826 2.099 0.216 0.950 0.966 0.966 CB 1.395 30 residues pruned to eliminate duplicates Z: 34 37.674 2.020 0.781 0.942 0.970 0.727 CB 1.303 34 residues pruned to eliminate duplicates Z: 26 41.047 2.039 1.061 0.936 0.920 0.520 CB 1.478 25 residues pruned to eliminate duplicates Z: 29 58.081 2.176 1.253 0.960 1.000 0.607 CB 1.534 30 residues pruned to eliminate duplicates Z: 39 45.258 1.934 0.956 0.922 1.000 0.763 CA 1.365 39 residues pruned to eliminate duplicates Z: 31 41.429 2.040 0.749 0.908 0.967 0.733 CB 1.558 31 residues pruned to eliminate duplicates Z: 30 53.147 2.134 1.048 0.958 1.000 0.966 CB 1.548 30 residues pruned to eliminate duplicates Z: 31 40.993 2.035 0.622 0.927 1.000 0.767 CB 1.589 31 residues pruned to eliminate duplicates Z: 29 26.876 1.915 0.374 0.919 1.000 0.929 CA 1.361 29 residues pruned to eliminate duplicates Z: 23 26.871 2.176 0.277 0.940 1.000 0.955 CB 1.432 23 residues pruned to eliminate duplicates Z: 60 48.906 1.986 0.818 0.790 0.983 0.712 CB 1.391 59 residues pruned to eliminate duplicates Z: 36 28.934 1.766 0.513 0.934 0.971 0.743 CB 1.314 36 residues pruned to eliminate duplicates Z: 30 42.125 2.029 0.793 0.936 1.000 0.759 CB 1.498 30 residues pruned to eliminate duplicates Z: 30 54.317 2.154 1.078 0.962 1.000 0.862 CA 1.541 30 residues pruned to eliminate duplicates Z: 29 50.925 2.189 1.062 0.944 0.964 0.893 CA 1.531 29 residues pruned to eliminate duplicates Z: 28 28.448 1.874 0.406 0.929 1.000 0.889 CA 1.454 20 residues pruned to eliminate duplicates Z: 22 18.668 1.745 0.394 0.849 1.000 0.857 CB 1.241 18 residues pruned to eliminate duplicates Z: 31 39.458 2.094 0.700 0.933 1.000 0.833 CA 1.413 30 residues pruned to eliminate duplicates Z: 31 42.218 2.046 0.811 0.937 1.000 0.800 CB 1.447 31 residues pruned to eliminate duplicates Z: 29 56.382 2.164 1.260 0.954 0.964 0.643 CB 1.554 29 residues pruned to eliminate duplicates Z: 38 28.625 1.739 0.526 0.883 1.000 0.757 CB 1.282 36 residues pruned to eliminate duplicates Z: 30 45.817 2.136 0.902 0.937 0.966 0.690 CA 1.509 30 residues pruned to eliminate duplicates Z: 21 20.719 2.088 0.227 0.932 1.000 0.900 CB 1.263 21 residues pruned to eliminate duplicates Z: 38 41.333 1.990 0.743 0.925 1.000 0.757 CA 1.374 38 residues pruned to eliminate duplicates Z: 21 25.058 1.830 0.721 0.921 0.950 0.750 CB 1.318 17 residues pruned to eliminate duplicates Z: 35 46.294 1.961 1.048 0.925 0.971 0.912 CA 1.430 35 residues pruned to eliminate duplicates Z: 34 35.772 1.972 0.792 0.927 0.970 0.697 CB 1.274 34 residues pruned to eliminate duplicates Z: 30 45.886 2.136 0.906 0.920 0.966 0.862 CA 1.526 31 residues pruned to eliminate duplicates Z: 31 41.947 2.025 0.732 0.935 1.000 0.767 CB 1.521 31 residues pruned to eliminate duplicates Z: 33 34.149 2.019 0.545 0.945 1.000 0.750 CB 1.339 33 residues pruned to eliminate duplicates Z: 15 17.733 1.728 0.860 0.903 0.786 0.571 CB 1.338 Z: 30 35.219 1.987 0.492 0.939 1.000 0.897 CA 1.533 30 residues pruned to eliminate duplicates Z: 25 32.682 1.820 0.899 0.947 1.000 0.833 CB 1.334 Z: 31 37.030 2.039 0.586 0.901 0.967 0.700 CB 1.543 31 residues pruned to eliminate duplicates Z: 30 39.697 2.009 0.630 0.918 1.000 0.828 CA 1.588 30 residues pruned to eliminate duplicates Z: 39 39.101 1.940 0.779 0.910 0.974 0.842 CA 1.339 39 residues pruned to eliminate duplicates Z: 27 33.136 1.846 0.730 0.936 1.000 0.731 CB 1.417 27 residues pruned to eliminate duplicates Z: 33 28.380 1.992 0.236 0.958 1.000 0.969 CB 1.397 33 residues pruned to eliminate duplicates Z: 39 50.147 1.951 1.104 0.931 0.974 0.658 CB 1.423 38 residues pruned to eliminate duplicates Z: 22 33.486 1.829 0.997 0.914 0.952 0.762 CB 1.485 Z: 39 51.823 1.935 1.128 0.935 1.000 0.605 CB 1.422 39 residues pruned to eliminate duplicates Z: 22 22.884 1.980 0.668 0.863 0.905 0.857 CA 1.227 22 residues pruned to eliminate duplicates Z: 30 58.971 2.152 1.313 0.940 1.000 0.655 CB 1.528 30 residues pruned to eliminate duplicates Z: 26 35.198 1.967 0.823 0.927 0.960 0.880 CA 1.433 26 residues pruned to eliminate duplicates Z: 22 33.211 1.982 0.879 0.895 1.000 0.857 CA 1.395 22 residues pruned to eliminate duplicates Z: 25 26.399 1.846 0.685 0.897 0.917 0.750 CB 1.353 25 residues pruned to eliminate duplicates Z: 17 13.118 1.442 0.790 0.911 1.000 0.750 CB 0.900 Z: 31 41.023 1.952 1.054 0.900 0.967 0.400 CB 1.381 31 residues pruned to eliminate duplicates Z: 23 24.441 2.168 0.163 0.950 1.000 0.955 CB 1.425 23 residues pruned to eliminate duplicates Z: 30 47.145 2.003 1.027 0.936 0.966 0.690 CB 1.554 30 residues pruned to eliminate duplicates Z: 21 20.517 1.774 0.477 0.864 0.950 0.750 CB 1.351 21 residues pruned to eliminate duplicates Z: 20 43.357 2.125 0.914 0.934 1.000 0.684 CA 1.706 20 residues pruned to eliminate duplicates Z: 29 22.400 1.592 0.613 0.905 0.964 0.679 CB 1.216 Z: 26 37.417 1.970 0.943 0.919 0.920 0.680 CA 1.498 26 residues pruned to eliminate duplicates Z: 32 32.293 2.007 0.400 0.894 0.968 0.871 CA 1.530 32 residues pruned to eliminate duplicates Z: 36 39.483 2.011 0.691 0.950 1.000 0.829 CA 1.353 36 residues pruned to eliminate duplicates Z: 21 32.594 1.851 1.055 0.941 1.000 0.800 CA 1.330 21 residues pruned to eliminate duplicates Z: 27 27.503 1.822 0.654 0.924 0.923 0.808 CB 1.362 22 residues pruned to eliminate duplicates Z: 27 36.561 1.987 0.868 0.912 0.962 0.846 CA 1.422 27 residues pruned to eliminate duplicates Z: 27 35.139 2.017 0.791 0.912 0.923 0.846 CA 1.463 27 residues pruned to eliminate duplicates Z: 21 24.755 1.939 0.574 0.890 1.000 0.900 CA 1.305 21 residues pruned to eliminate duplicates Z: 32 39.842 2.023 0.760 0.898 0.968 0.774 CB 1.487 32 residues pruned to eliminate duplicates Z: 32 41.096 1.977 0.876 0.918 1.000 0.677 CB 1.404 32 residues pruned to eliminate duplicates Z: 35 38.595 1.997 0.889 0.957 1.000 0.529 CB 1.204 35 residues pruned to eliminate duplicates Z: 21 30.939 1.999 0.812 0.846 1.000 0.700 CA 1.419 21 residues pruned to eliminate duplicates Z: 25 25.312 1.825 0.550 0.902 1.000 0.875 CA 1.302 25 residues pruned to eliminate duplicates Z: 28 24.732 1.716 0.553 0.925 0.963 0.741 CA 1.302 28 residues pruned to eliminate duplicates Z: 38 49.365 1.967 1.007 0.912 1.000 0.676 CA 1.455 38 residues pruned to eliminate duplicates Z: 31 42.452 2.070 0.652 0.917 1.000 0.933 CB 1.600 31 residues pruned to eliminate duplicates Z: 26 35.805 2.001 0.883 0.915 0.920 0.680 CA 1.460 26 residues pruned to eliminate duplicates Z: 24 40.912 2.132 0.983 0.941 1.000 0.696 CB 1.400 24 residues pruned to eliminate duplicates Z: 30 40.171 2.095 0.617 0.938 1.000 0.828 CB 1.532 30 residues pruned to eliminate duplicates Z: 32 38.174 2.041 0.777 0.944 1.000 0.710 CB 1.309 32 residues pruned to eliminate duplicates Z: 23 38.813 2.054 0.838 0.958 1.000 0.864 CB 1.503 23 residues pruned to eliminate duplicates Z: 38 53.864 1.935 1.184 0.932 1.000 0.676 CA 1.464 38 residues pruned to eliminate duplicates Z: 29 42.280 2.179 0.728 0.937 1.000 0.893 CA 1.477 29 residues pruned to eliminate duplicates Z: 26 28.748 1.817 0.920 0.917 0.920 0.640 CB 1.264 26 residues pruned to eliminate duplicates Z: 30 50.534 2.138 0.986 0.941 1.000 0.793 CA 1.534 30 residues pruned to eliminate duplicates Z: 28 36.108 1.804 0.983 0.934 1.000 0.778 CB 1.355 25 residues pruned to eliminate duplicates Z: 24 19.370 1.643 0.459 0.864 1.000 0.826 CB 1.235 22 residues pruned to eliminate duplicates Z: 19 26.048 1.894 0.515 0.938 1.000 0.889 CB 1.487 19 residues pruned to eliminate duplicates Z: 28 25.411 1.947 0.463 0.900 0.926 0.815 CA 1.324 28 residues pruned to eliminate duplicates Z: 27 30.972 1.789 0.833 0.921 1.000 0.731 CB 1.304 27 residues pruned to eliminate duplicates Z: 23 30.392 1.929 0.825 0.902 0.955 0.773 CB 1.375 23 residues pruned to eliminate duplicates Z: 19 29.936 1.859 0.753 0.912 1.000 0.667 CB 1.534 19 residues pruned to eliminate duplicates Z: 30 48.474 2.138 0.975 0.929 0.966 0.793 CB 1.545 30 residues pruned to eliminate duplicates Z: 28 32.859 1.836 0.669 0.945 1.000 0.704 CB 1.428 28 residues pruned to eliminate duplicates Z: 11 15.535 1.821 0.647 0.907 1.000 0.700 CB 1.164 11 residues pruned to eliminate duplicates Z: 25 27.435 1.818 0.549 0.920 1.000 0.708 CB 1.400 25 residues pruned to eliminate duplicates Z: 31 34.686 1.963 0.600 0.923 1.000 0.900 CA 1.417 31 residues pruned to eliminate duplicates Z: 23 15.824 1.680 0.494 0.886 0.909 0.773 CA 1.066 23 residues pruned to eliminate duplicates Z: 26 34.305 2.018 0.587 0.930 1.000 0.920 CA 1.498 26 residues pruned to eliminate duplicates Z: 23 28.848 1.844 0.907 0.954 1.000 0.955 CB 1.203 25 residues pruned to eliminate duplicates Z: 29 26.811 1.999 0.554 0.950 0.964 0.750 CB 1.166 29 residues pruned to eliminate duplicates Z: 25 27.717 1.868 0.681 0.912 1.000 0.917 CB 1.276 25 residues pruned to eliminate duplicates Z: 27 29.980 1.807 0.766 0.939 1.000 0.846 CB 1.280 27 residues pruned to eliminate duplicates Z: 23 34.190 1.965 0.917 0.880 0.955 0.682 CA 1.469 23 residues pruned to eliminate duplicates Z: 31 48.193 2.066 0.881 0.947 1.000 0.833 CB 1.565 31 residues pruned to eliminate duplicates Z: 33 35.051 1.981 0.781 0.950 0.938 0.469 CB 1.291 33 residues pruned to eliminate duplicates Z: 18 30.796 2.022 0.749 0.932 1.000 0.882 CB 1.476 18 residues pruned to eliminate duplicates Z: 22 28.804 1.911 0.709 0.886 1.000 0.857 CA 1.389 22 residues pruned to eliminate duplicates Z: 37 28.572 1.734 0.759 0.873 0.917 0.722 CB 1.241 41 residues pruned to eliminate duplicates Z: 37 27.569 1.764 0.429 0.905 1.000 0.778 CB 1.297 37 residues pruned to eliminate duplicates Z: 30 40.414 2.041 0.629 0.934 1.000 0.862 CA 1.575 30 residues pruned to eliminate duplicates Z: 23 36.367 1.948 1.139 0.914 0.955 0.591 CB 1.379 22 residues pruned to eliminate duplicates Z: 34 24.696 2.006 0.076 0.950 1.000 0.939 CB 1.374 34 residues pruned to eliminate duplicates Z: 22 32.951 1.962 0.894 0.847 1.000 0.762 CA 1.437 22 residues pruned to eliminate duplicates Z: 28 34.062 1.928 0.595 0.921 1.000 0.630 CA 1.500 28 residues pruned to eliminate duplicates Z: 37 31.745 1.769 0.831 0.908 1.000 0.639 CB 1.161 36 residues pruned to eliminate duplicates Z: 28 24.568 1.864 0.527 0.841 0.963 0.630 CB 1.286 26 residues pruned to eliminate duplicates Z: 29 46.767 2.178 0.824 0.958 1.000 0.929 CA 1.525 29 residues pruned to eliminate duplicates Z: 7 7.772 1.560 0.882 0.849 1.000 0.667 CA 0.801 7 residues pruned to eliminate duplicates Z: 36 34.992 1.828 0.810 0.953 0.971 0.629 CB 1.266 35 residues pruned to eliminate duplicates Z: 18 24.297 1.891 0.385 0.935 1.000 1.000 CA 1.567 18 residues pruned to eliminate duplicates Z: 40 31.548 1.918 0.669 0.812 0.949 0.667 CB 1.268 43 residues pruned to eliminate duplicates Z: 13 12.182 1.737 0.497 0.891 1.000 0.750 CB 0.972 13 residues pruned to eliminate duplicates Z: 37 38.883 1.967 0.821 0.902 0.944 0.806 CB 1.367 37 residues pruned to eliminate duplicates Z: 20 28.794 1.848 0.745 0.902 1.000 0.737 CB 1.462 20 residues pruned to eliminate duplicates Z: 28 29.658 1.953 0.626 0.887 0.889 0.815 CA 1.457 28 residues pruned to eliminate duplicates Z: 35 29.507 2.039 0.315 0.947 1.000 0.941 CA 1.305 35 residues pruned to eliminate duplicates Z: 19 19.546 1.827 0.330 0.937 0.944 0.889 CA 1.397 19 residues pruned to eliminate duplicates Z: 14 15.193 1.718 0.647 0.849 1.000 0.769 CB 1.104 14 residues pruned to eliminate duplicates Z: 31 42.423 1.954 0.872 0.933 1.000 0.733 CB 1.478 31 residues pruned to eliminate duplicates Z: 28 23.982 1.770 0.451 0.906 0.963 0.889 CA 1.327 27 residues pruned to eliminate duplicates Z: 26 27.320 1.806 0.590 0.925 0.960 0.760 CB 1.391 26 residues pruned to eliminate duplicates Z: 27 25.243 1.747 0.577 0.933 0.962 0.808 CB 1.303 27 residues pruned to eliminate duplicates Z: 36 38.059 1.947 1.100 0.794 0.914 0.600 CB 1.330 36 residues pruned to eliminate duplicates Z: 31 31.926 2.008 0.506 0.917 0.933 0.867 CB 1.458 31 residues pruned to eliminate duplicates Z: 23 18.372 1.564 0.834 0.923 0.955 0.455 CB 1.005 Z: 28 32.655 1.846 0.739 0.944 1.000 0.778 CB 1.355 28 residues pruned to eliminate duplicates Z: 36 44.962 1.985 1.072 0.940 0.971 0.514 CB 1.321 36 residues pruned to eliminate duplicates Z: 21 24.766 1.812 0.487 0.920 1.000 0.750 CB 1.447 21 residues pruned to eliminate duplicates Z: 27 25.757 1.748 0.727 0.907 0.962 0.731 CB 1.237 27 residues pruned to eliminate duplicates Z: 27 42.831 2.067 1.060 0.947 0.923 0.654 CB 1.477 27 residues pruned to eliminate duplicates Z: 38 48.742 1.986 1.060 0.931 1.000 0.784 CA 1.369 39 residues pruned to eliminate duplicates Z: 37 33.564 1.965 0.470 0.920 1.000 0.889 CA 1.364 37 residues pruned to eliminate duplicates Z: 25 26.915 1.801 0.563 0.934 1.000 0.750 CB 1.361 25 residues pruned to eliminate duplicates Z: 38 42.573 1.957 0.867 0.893 1.000 0.865 CA 1.375 38 residues pruned to eliminate duplicates Z: 29 22.629 1.783 0.273 0.932 1.000 0.821 CB 1.316 29 residues pruned to eliminate duplicates Z: 35 35.703 1.866 0.683 0.939 0.971 0.735 CB 1.395 34 residues pruned to eliminate duplicates Z: 35 28.981 1.843 0.763 0.936 0.853 0.588 CB 1.249 35 residues pruned to eliminate duplicates Z: 27 28.461 1.792 0.653 0.900 0.962 0.846 CB 1.400 27 residues pruned to eliminate duplicates Z: 27 30.995 1.958 0.916 0.768 0.962 0.731 CA 1.328 28 residues pruned to eliminate duplicates Z: 27 29.555 2.017 0.582 0.918 0.923 0.846 CA 1.388 27 residues pruned to eliminate duplicates Z: 30 43.145 2.085 0.764 0.930 0.966 0.862 CB 1.578 30 residues pruned to eliminate duplicates Z: 23 25.402 1.898 0.679 0.915 0.955 0.682 CB 1.258 23 residues pruned to eliminate duplicates Z: 19 36.331 2.029 1.158 0.940 0.944 0.611 CB 1.439 19 residues pruned to eliminate duplicates Z: 17 22.499 1.934 0.513 0.919 0.938 0.750 CA 1.444 17 residues pruned to eliminate duplicates Z: 21 33.780 1.995 1.062 0.928 0.950 0.850 CB 1.353 21 residues pruned to eliminate duplicates Z: 37 45.125 1.951 1.124 0.940 1.000 0.722 CB 1.260 37 residues pruned to eliminate duplicates Z: 26 42.186 2.149 0.695 0.936 1.000 0.760 CA 1.613 26 residues pruned to eliminate duplicates Z: 18 29.971 1.941 0.987 0.929 1.000 0.941 CB 1.320 18 residues pruned to eliminate duplicates Z: 22 19.005 1.684 0.439 0.863 1.000 0.762 CB 1.256 22 residues pruned to eliminate duplicates Z: 28 37.542 1.940 0.849 0.898 1.000 0.593 CB 1.441 29 residues pruned to eliminate duplicates Z: 24 24.106 1.825 0.723 0.873 0.870 0.652 CB 1.340 24 residues pruned to eliminate duplicates Z: 27 25.865 1.803 0.661 0.886 0.923 0.846 CB 1.324 27 residues pruned to eliminate duplicates Z: 28 36.733 1.925 0.845 0.952 0.963 0.815 CA 1.423 28 residues pruned to eliminate duplicates Z: 37 26.461 1.752 0.369 0.889 0.972 0.833 CB 1.361 37 residues pruned to eliminate duplicates Z: 32 18.898 1.585 0.292 0.877 0.968 0.839 CB 1.243 32 residues pruned to eliminate duplicates Z: 23 19.580 1.642 0.531 0.881 1.000 0.909 CA 1.202 24 residues pruned to eliminate duplicates Z: 37 43.606 1.930 1.096 0.942 0.972 0.556 CB 1.281 37 residues pruned to eliminate duplicates Z: 25 31.924 1.864 0.962 0.902 1.000 0.583 CB 1.271 24 residues pruned to eliminate duplicates Z: 13 21.432 1.831 1.170 0.854 0.917 0.833 CB 1.254 13 residues pruned to eliminate duplicates Z: 28 21.236 1.734 0.484 0.888 0.889 0.741 CB 1.288 28 residues pruned to eliminate duplicates Z: 6 4.544 1.501 0.555 0.399 0.800 0.400 O 1.211 Z: 26 28.426 1.819 0.620 0.899 1.000 0.840 CA 1.379 26 residues pruned to eliminate duplicates Z: 36 41.742 1.986 0.896 0.942 1.000 0.657 CB 1.299 36 residues pruned to eliminate duplicates Z: 75 57.243 1.869 0.874 0.926 0.973 0.622 CB 1.369 111 residues pruned to eliminate duplicates Z: 18 24.661 1.802 0.751 0.935 1.000 0.765 CB 1.321 Z: 38 40.842 1.986 0.741 0.906 1.000 0.811 CA 1.381 38 residues pruned to eliminate duplicates Z: 30 32.760 2.127 0.414 0.937 1.000 1.000 CA 1.407 30 residues pruned to eliminate duplicates Z: 15 19.583 1.955 0.595 0.672 0.929 0.857 CA 1.544 15 residues pruned to eliminate duplicates Z: 31 21.653 1.578 0.508 0.919 0.967 0.733 CB 1.211 31 residues pruned to eliminate duplicates Z: 25 25.332 1.715 0.839 0.864 0.958 0.625 CA 1.255 6 residues pruned to eliminate duplicates Z: 13 25.841 1.838 1.454 0.901 0.917 0.833 CB 1.288 13 residues pruned to eliminate duplicates Z: 31 41.128 1.966 1.001 0.931 0.967 0.567 CB 1.380 31 residues pruned to eliminate duplicates Z: 25 24.578 1.808 0.611 0.846 0.958 0.708 CA 1.335 25 residues pruned to eliminate duplicates Z: 25 24.328 1.726 0.800 0.902 0.917 0.708 CB 1.244 24 residues pruned to eliminate duplicates Z: 21 21.570 1.823 0.860 0.886 0.900 0.750 CB 1.140 21 residues pruned to eliminate duplicates Z: 25 25.688 1.791 0.667 0.912 0.958 0.792 CB 1.298 25 residues pruned to eliminate duplicates Z: 32 36.685 2.067 0.649 0.967 1.000 0.903 CB 1.318 32 residues pruned to eliminate duplicates Z: 17 21.621 1.720 0.791 0.851 0.938 0.750 CA 1.385 17 residues pruned to eliminate duplicates Z: 30 23.338 1.631 0.708 0.881 0.966 0.621 CB 1.167 30 residues pruned to eliminate duplicates Z: 31 47.204 2.047 0.981 0.926 0.967 0.900 CB 1.542 31 residues pruned to eliminate duplicates Z: 31 40.250 2.014 0.727 0.903 0.967 0.800 CB 1.558 31 residues pruned to eliminate duplicates Z: 17 23.450 1.740 0.887 0.914 1.000 0.625 CB 1.263 17 residues pruned to eliminate duplicates Z: 17 19.481 1.865 0.498 0.898 0.938 0.750 CA 1.330 17 residues pruned to eliminate duplicates Z: 30 42.543 2.128 0.797 0.954 1.000 0.966 CA 1.421 30 residues pruned to eliminate duplicates Z: 36 28.309 1.971 0.393 0.940 0.971 0.943 CA 1.246 36 residues pruned to eliminate duplicates Z: 27 29.601 1.809 0.701 0.926 1.000 0.769 CB 1.323 27 residues pruned to eliminate duplicates Z: 38 31.993 1.967 0.481 0.908 1.000 0.919 CA 1.282 38 residues pruned to eliminate duplicates 6 1.345 1.306 0.238 0.286 0.600 0.600 N 0.789 ? Z: 6 2.972 1.428 0.105 0.528 0.800 0.200 CA 1.024 Z: 15 12.822 1.415 0.567 0.939 1.000 0.929 CA 1.074 Z: 26 27.866 1.798 0.684 0.939 0.960 0.800 CA 1.333 26 residues pruned to eliminate duplicates Z: 31 43.545 2.052 0.690 0.928 1.000 0.867 CB 1.605 31 residues pruned to eliminate duplicates Z: 28 17.998 1.586 0.362 0.909 0.926 0.778 CB 1.230 23 residues pruned to eliminate duplicates Z: 36 28.872 1.756 0.708 0.892 0.971 0.857 CB 1.203 37 residues pruned to eliminate duplicates Z: 24 22.314 1.811 0.487 0.825 0.957 0.870 CB 1.363 24 residues pruned to eliminate duplicates Z: 25 28.785 2.023 0.669 0.784 0.958 0.750 CB 1.414 25 residues pruned to eliminate duplicates Z: 21 20.858 1.705 0.604 0.895 0.950 0.700 CB 1.287 21 residues pruned to eliminate duplicates Z: 28 18.556 1.776 0.309 0.881 0.889 0.741 CA 1.251 28 residues pruned to eliminate duplicates Z: 11 19.959 1.932 0.753 0.803 0.900 0.600 CB 1.589 11 residues pruned to eliminate duplicates Z: 28 38.227 1.974 0.830 0.911 1.000 0.778 CA 1.444 28 residues pruned to eliminate duplicates Z: 37 25.505 1.732 0.415 0.904 1.000 0.722 CB 1.236 37 residues pruned to eliminate duplicates Z: 31 34.728 2.008 0.558 0.914 0.933 0.800 CB 1.536 31 residues pruned to eliminate duplicates Z: 17 24.151 1.863 0.752 0.939 1.000 0.875 CA 1.286 17 residues pruned to eliminate duplicates Z: 31 29.469 2.004 0.757 0.919 0.967 0.533 CB 1.114 31 residues pruned to eliminate duplicates Z: 21 23.228 1.872 0.473 0.929 1.000 1.000 CA 1.319 21 residues pruned to eliminate duplicates Z: 13 18.673 1.736 0.785 0.888 1.000 0.750 CA 1.253 13 residues pruned to eliminate duplicates Z: 26 21.840 1.647 0.646 0.878 0.960 0.680 CB 1.219 26 residues pruned to eliminate duplicates Z: 31 43.091 1.982 0.868 0.914 1.000 0.700 CB 1.502 31 residues pruned to eliminate duplicates Z: 26 31.646 1.940 0.701 0.936 1.000 0.720 CB 1.336 26 residues pruned to eliminate duplicates Z: 29 36.528 1.926 0.817 0.906 0.964 0.714 CA 1.455 29 residues pruned to eliminate duplicates Z: 33 32.355 1.942 0.802 0.743 0.906 0.688 CB 1.451 33 residues pruned to eliminate duplicates Z: 26 25.126 1.818 0.533 0.909 0.960 0.760 CB 1.333 26 residues pruned to eliminate duplicates Z: 26 32.359 1.819 0.985 0.941 0.960 0.800 CB 1.296 26 residues pruned to eliminate duplicates Z: 20 23.169 1.711 0.813 0.857 1.000 0.684 CB 1.263 20 residues pruned to eliminate duplicates Z: 20 17.475 1.698 0.417 0.845 0.947 0.789 CB 1.307 20 residues pruned to eliminate duplicates Z: 37 40.105 1.954 0.868 0.923 0.972 0.639 CB 1.324 37 residues pruned to eliminate duplicates Z: 12 6.632 1.412 0.125 0.836 1.000 0.545 CB 0.942 3 residues pruned to eliminate duplicates Z: 31 45.853 1.964 1.176 0.910 1.000 0.567 CB 1.389 31 residues pruned to eliminate duplicates Z: 17 20.662 1.907 0.469 0.929 1.000 0.938 CB 1.290 17 residues pruned to eliminate duplicates Z: 38 34.553 1.911 0.660 0.917 0.973 0.865 CA 1.299 38 residues pruned to eliminate duplicates Z: 7 3.077 1.476 0.152 0.244 0.833 0.500 CB 1.191 Z: 17 19.612 1.697 0.649 0.814 0.938 0.688 CB 1.422 17 residues pruned to eliminate duplicates Z: 27 29.946 1.821 0.613 0.939 1.000 0.923 CB 1.389 28 residues pruned to eliminate duplicates Z: 18 12.844 1.735 0.526 0.932 0.882 0.706 CB 0.932 17 residues pruned to eliminate duplicates Z: 36 34.500 1.799 0.771 0.934 0.971 0.600 CB 1.314 37 residues pruned to eliminate duplicates Z: 37 27.157 1.704 0.574 0.895 1.000 0.750 CB 1.210 36 residues pruned to eliminate duplicates Z: 27 29.228 1.803 0.816 0.876 0.962 0.577 CB 1.323 27 residues pruned to eliminate duplicates Z: 22 27.953 1.753 0.920 0.911 0.952 0.857 CB 1.348 22 residues pruned to eliminate duplicates Z: 34 34.454 2.009 0.688 0.923 0.939 0.818 CB 1.323 34 residues pruned to eliminate duplicates Z: 9 8.805 1.829 0.574 0.616 1.000 0.875 CA 0.969 9 residues pruned to eliminate duplicates Z: 22 26.012 1.819 0.637 0.874 1.000 0.762 CA 1.387 22 residues pruned to eliminate duplicates Z: 23 31.297 1.824 0.837 0.924 1.000 0.682 CA 1.398 23 residues pruned to eliminate duplicates Z: 30 48.587 2.110 1.067 0.936 0.966 0.621 CB 1.492 30 residues pruned to eliminate duplicates Z: 11 10.543 1.520 0.744 0.853 0.900 0.700 CB 1.033 11 residues pruned to eliminate duplicates Z: 21 18.922 1.677 0.378 0.889 0.950 0.900 CB 1.387 21 residues pruned to eliminate duplicates Z: 31 26.283 1.747 0.356 0.927 1.000 0.933 CB 1.420 31 residues pruned to eliminate duplicates Z: 30 37.935 2.087 0.459 0.948 1.000 0.897 CB 1.598 30 residues pruned to eliminate duplicates Z: 30 24.207 1.855 0.667 0.679 0.862 0.724 CA 1.431 29 residues pruned to eliminate duplicates Z: 13 13.723 1.465 0.826 0.923 1.000 0.750 CB 1.040 13 residues pruned to eliminate duplicates Z: 8 2.603 1.634 0.093 0.332 0.857 0.286 CB 0.773 Z: 9 4.107 1.575 0.371 0.386 0.625 0.500 CB 1.214 4 residues pruned to eliminate duplicates Z: 26 28.163 1.802 0.601 0.921 1.000 0.880 CB 1.374 26 residues pruned to eliminate duplicates Z: 24 25.617 1.845 0.833 0.902 0.957 0.783 CB 1.178 24 residues pruned to eliminate duplicates Z: 8 5.011 1.331 0.775 0.429 0.857 0.714 N 1.007 Z: 9 8.714 1.669 0.495 0.549 0.875 0.500 CB 1.345 9 residues pruned to eliminate duplicates Z: 35 24.422 1.794 0.521 0.679 0.941 0.676 CA 1.383 34 residues pruned to eliminate duplicates Z: 28 26.509 1.777 0.884 0.936 1.000 0.667 CB 1.061 28 residues pruned to eliminate duplicates Z: 10 17.840 1.891 1.163 0.802 1.000 0.667 CB 1.116 9 residues pruned to eliminate duplicates Z: 36 47.677 2.001 1.110 0.941 1.000 0.571 CB 1.324 36 residues pruned to eliminate duplicates Z: 8 6.260 1.457 0.364 0.832 1.000 0.714 CB 0.894 8 residues pruned to eliminate duplicates Z: 11 11.753 1.470 0.444 0.862 1.000 0.700 N 1.286 9 residues pruned to eliminate duplicates Z: 11 3.556 1.384 0.324 0.315 0.900 0.300 CB 0.836 Z: 31 50.541 2.122 1.009 0.946 1.000 0.833 CA 1.497 30 residues pruned to eliminate duplicates Z: 27 23.619 1.806 0.692 0.754 0.923 0.692 CB 1.309 27 residues pruned to eliminate duplicates Z: 7 3.105 1.592 -0.064 0.439 1.000 0.333 CB 0.907 7 residues pruned to eliminate duplicates Z: 29 18.639 1.576 0.535 0.866 0.929 0.571 CB 1.148 29 residues pruned to eliminate duplicates Z: 9 7.977 1.540 0.525 0.787 0.875 0.375 CB 1.066 9 residues pruned to eliminate duplicates Z: 20 21.664 1.638 0.532 0.934 1.000 0.895 CB 1.381 20 residues pruned to eliminate duplicates Z: 36 30.834 1.726 0.810 0.897 0.971 0.686 CB 1.229 36 residues pruned to eliminate duplicates Z: 29 18.927 1.608 0.599 0.880 0.857 0.679 CB 1.176 39 residues pruned to eliminate duplicates Z: 16 21.833 1.901 0.622 0.932 1.000 0.533 CB 1.277 18 residues pruned to eliminate duplicates Z: 26 34.746 2.018 0.715 0.941 0.960 0.840 CA 1.452 26 residues pruned to eliminate duplicates Z: 31 23.694 1.845 0.637 0.784 0.933 0.567 CB 1.195 31 residues pruned to eliminate duplicates Z: 9 8.928 1.301 0.529 0.853 1.000 0.750 N 1.173 9 residues pruned to eliminate duplicates Z: 7 11.802 1.762 0.973 0.809 0.833 0.500 CB 1.271 7 residues pruned to eliminate duplicates Z: 28 18.643 1.570 0.392 0.901 0.963 0.889 CB 1.217 28 residues pruned to eliminate duplicates Z: 18 16.074 1.650 0.480 0.900 1.000 0.882 CB 1.141 18 residues pruned to eliminate duplicates Z: 10 7.971 1.635 0.225 0.485 1.000 0.556 CB 1.346 10 residues pruned to eliminate duplicates Z: 50 35.506 1.931 0.857 0.799 0.959 0.429 CB 1.136 50 residues pruned to eliminate duplicates Z: 19 20.322 1.724 0.767 0.922 0.944 0.722 CB 1.171 19 residues pruned to eliminate duplicates 6 1.916 1.627 0.114 0.281 0.600 0.600 CB 1.008 ? Z: 20 15.151 1.703 0.878 0.918 0.895 0.368 CB 0.857 20 residues pruned to eliminate duplicates Z: 28 28.804 1.796 0.637 0.937 1.000 0.926 CB 1.313 28 residues pruned to eliminate duplicates Z: 10 6.826 1.610 0.502 0.844 1.000 0.778 CB 0.700 Z: 27 23.265 1.740 0.585 0.886 0.962 0.615 CB 1.241 27 residues pruned to eliminate duplicates Z: 21 21.977 1.969 0.396 0.937 0.950 0.900 CB 1.310 21 residues pruned to eliminate duplicates Z: 6 3.069 1.282 0.320 0.634 1.000 1.000 CA 0.715 Z: 37 26.503 1.753 0.456 0.884 1.000 0.750 CB 1.251 37 residues pruned to eliminate duplicates Z: 23 19.487 1.599 0.710 0.928 1.000 0.500 CB 1.064 23 residues pruned to eliminate duplicates Z: 21 19.746 1.690 0.792 0.880 0.950 0.550 CB 1.112 21 residues pruned to eliminate duplicates Z: 10 18.999 2.129 0.608 0.906 1.000 0.889 CB 1.315 10 residues pruned to eliminate duplicates Z: 29 19.171 1.594 0.324 0.873 1.000 0.821 CB 1.250 29 residues pruned to eliminate duplicates Z: 39 41.556 1.907 0.867 0.922 1.000 0.789 CA 1.331 39 residues pruned to eliminate duplicates Z: 35 41.865 2.021 0.962 0.962 0.971 0.676 CB 1.276 34 residues pruned to eliminate duplicates Z: 17 10.695 1.526 0.371 0.683 0.875 0.812 CB 1.234 18 residues pruned to eliminate duplicates Z: 38 44.140 1.968 0.868 0.928 1.000 0.784 CA 1.382 38 residues pruned to eliminate duplicates Z: 6 3.286 1.477 0.660 0.825 1.000 1.000 CB 0.452 Z: 38 31.719 1.972 0.415 0.925 1.000 0.946 CA 1.311 38 residues pruned to eliminate duplicates Z: 6 3.123 1.615 0.554 0.294 0.600 0.600 N 1.168 Z: 10 11.769 1.464 0.653 0.897 1.000 0.778 CB 1.160 10 residues pruned to eliminate duplicates Z: 28 39.165 1.944 0.943 0.940 0.963 0.667 CA 1.439 28 residues pruned to eliminate duplicates Z: 50 43.522 2.034 0.903 0.712 0.918 0.633 CA 1.443 50 residues pruned to eliminate duplicates Z: 18 15.476 1.657 0.580 0.874 0.941 0.647 CB 1.109 18 residues pruned to eliminate duplicates Z: 32 39.685 1.986 0.864 0.825 0.968 0.742 CA 1.501 32 residues pruned to eliminate duplicates 7 1.764 1.890 0.244 0.274 0.500 0.167 CB 0.792 ? Z: 7 3.772 1.408 -0.007 0.511 1.000 0.500 O 1.089 Z: 15 19.102 1.955 0.668 0.775 0.929 0.929 CA 1.322 15 residues pruned to eliminate duplicates Z: 15 11.668 1.450 0.832 0.891 1.000 0.786 CB 0.844 15 residues pruned to eliminate duplicates Z: 22 31.238 1.922 0.965 0.836 0.952 0.714 CA 1.419 22 residues pruned to eliminate duplicates Z: 16 13.211 1.675 0.315 0.854 0.933 0.867 CA 1.226 15 residues pruned to eliminate duplicates Z: 9 2.547 1.560 0.129 0.254 0.625 0.375 N 1.085 Z: 41 29.672 1.903 0.595 0.745 0.900 0.725 CB 1.380 41 residues pruned to eliminate duplicates Z: 23 20.366 1.599 0.468 0.905 1.000 0.773 CB 1.317 27 residues pruned to eliminate duplicates Z: 16 21.968 1.805 0.743 0.901 1.000 0.667 CB 1.286 16 residues pruned to eliminate duplicates Z: 38 35.371 1.958 0.669 0.909 1.000 0.892 CA 1.262 38 residues pruned to eliminate duplicates Z: 39 44.560 1.938 0.843 0.933 1.000 0.842 CA 1.413 39 residues pruned to eliminate duplicates Z: 7 2.338 1.101 -0.003 0.832 1.000 0.500 O 0.653 Z: 29 29.252 1.727 0.761 0.931 0.964 0.714 CB 1.317 29 residues pruned to eliminate duplicates Z: 20 16.169 1.824 0.437 0.816 0.895 0.684 CB 1.202 20 residues pruned to eliminate duplicates Z: 10 9.735 1.386 0.649 0.835 1.000 0.778 N 1.064 10 residues pruned to eliminate duplicates Z: 16 8.466 1.600 0.154 0.669 1.000 0.533 CB 1.013 16 residues pruned to eliminate duplicates Z: 29 35.647 1.849 0.927 0.886 1.000 0.571 CA 1.365 29 residues pruned to eliminate duplicates Z: 8 3.501 1.241 0.627 0.640 0.714 0.429 CB 0.805 Z: 29 36.465 2.035 0.574 0.946 1.000 0.893 CA 1.488 29 residues pruned to eliminate duplicates Z: 8 4.329 1.405 0.506 0.582 0.714 0.429 CB 1.001 8 residues pruned to eliminate duplicates Z: 36 30.578 1.777 0.803 0.898 0.971 0.543 CB 1.188 36 residues pruned to eliminate duplicates Z: 35 25.086 1.911 0.725 0.699 0.824 0.618 CB 1.322 35 residues pruned to eliminate duplicates Z: 27 32.181 1.821 0.750 0.952 1.000 0.962 CB 1.363 27 residues pruned to eliminate duplicates Z: 26 31.023 2.032 0.821 0.880 0.960 0.920 CA 1.266 26 residues pruned to eliminate duplicates Z: 30 36.438 2.110 0.563 0.909 1.000 0.897 CA 1.456 30 residues pruned to eliminate duplicates Z: 29 35.643 1.968 0.872 0.909 0.929 0.821 CA 1.398 29 residues pruned to eliminate duplicates Z: 27 16.894 1.704 0.221 0.898 0.923 0.923 CA 1.233 27 residues pruned to eliminate duplicates Z: 41 23.429 1.643 0.725 0.667 0.925 0.650 CB 1.211 32 residues pruned to eliminate duplicates Z: 21 18.946 1.616 0.586 0.895 1.000 0.850 CB 1.185 21 residues pruned to eliminate duplicates Z: 34 41.351 2.015 0.925 0.961 1.000 0.758 CB 1.270 34 residues pruned to eliminate duplicates Z: 38 36.900 1.994 0.806 0.787 0.946 0.730 CB 1.384 38 residues pruned to eliminate duplicates Z: 25 40.494 2.053 1.092 0.909 1.000 0.542 CB 1.366 25 residues pruned to eliminate duplicates Z: 27 19.402 1.735 0.305 0.940 0.962 0.923 CA 1.214 27 residues pruned to eliminate duplicates Z: 18 20.567 1.795 0.627 0.798 0.941 0.706 CB 1.397 18 residues pruned to eliminate duplicates Z: 9 11.162 1.749 0.426 0.843 0.875 0.750 CB 1.347 9 residues pruned to eliminate duplicates Z: 10 4.889 1.696 0.647 0.335 0.778 0.444 CB 0.898 Z: 36 46.676 1.918 1.117 0.935 0.971 0.600 CB 1.394 36 residues pruned to eliminate duplicates Z: 29 15.055 1.607 0.453 0.541 0.964 0.679 CA 1.213 29 residues pruned to eliminate duplicates Z: 12 14.156 1.601 0.803 0.695 1.000 0.818 CA 1.237 12 residues pruned to eliminate duplicates Z: 23 19.431 1.586 0.657 0.851 0.955 0.727 CB 1.222 23 residues pruned to eliminate duplicates Z: 22 19.182 1.647 0.467 0.887 1.000 0.857 CB 1.249 22 residues pruned to eliminate duplicates Z: 22 18.267 1.622 0.456 0.895 1.000 0.905 CB 1.209 22 residues pruned to eliminate duplicates Z: 6 3.595 1.644 -0.054 0.374 1.000 0.600 CB 1.183 6 residues pruned to eliminate duplicates Z: 25 32.659 1.815 0.926 0.893 1.000 0.833 CB 1.370 25 residues pruned to eliminate duplicates Z: 6 3.910 1.400 0.362 0.393 1.000 0.400 CB 1.027 Z: 22 33.896 2.032 0.696 0.912 0.952 0.619 CB 1.597 22 residues pruned to eliminate duplicates Z: 36 33.422 1.809 0.851 0.941 0.943 0.629 CB 1.242 37 residues pruned to eliminate duplicates Z: 29 21.748 1.602 0.493 0.896 1.000 0.821 CB 1.231 29 residues pruned to eliminate duplicates Z: 8 3.483 1.544 0.077 0.415 0.857 0.429 CB 1.010 Z: 11 13.394 1.496 0.631 0.904 1.000 0.800 CB 1.236 12 residues pruned to eliminate duplicates Z: 30 53.978 2.056 1.334 0.952 1.000 0.621 CB 1.438 30 residues pruned to eliminate duplicates Z: 18 16.557 1.679 0.888 0.839 0.824 0.588 CB 1.149 18 residues pruned to eliminate duplicates Z: 10 7.689 1.374 0.241 0.879 1.000 1.000 CB 1.090 8 residues pruned to eliminate duplicates Z: 28 27.233 1.779 0.543 0.942 1.000 0.926 CA 1.324 36 residues pruned to eliminate duplicates Z: 8 6.434 1.633 0.494 0.429 0.857 0.571 N 1.253 8 residues pruned to eliminate duplicates Z: 8 12.477 1.791 0.952 0.890 1.000 0.714 CB 0.970 8 residues pruned to eliminate duplicates Z: 27 34.719 1.806 0.976 0.939 1.000 0.538 CB 1.325 27 residues pruned to eliminate duplicates Z: 37 29.410 1.761 0.519 0.903 1.000 0.806 CB 1.306 37 residues pruned to eliminate duplicates Z: 27 40.103 2.009 0.876 0.941 1.000 0.769 CA 1.448 27 residues pruned to eliminate duplicates Z: 20 25.663 1.884 1.045 0.807 0.895 0.263 CB 1.306 20 residues pruned to eliminate duplicates Z: 27 26.422 1.810 0.480 0.930 1.000 0.923 CA 1.353 27 residues pruned to eliminate duplicates Z: 18 17.624 1.723 0.738 0.869 0.882 0.588 CB 1.182 18 residues pruned to eliminate duplicates Z: 21 19.034 1.911 0.620 0.726 0.850 0.800 CB 1.320 21 residues pruned to eliminate duplicates Z: 6 2.322 1.573 0.181 0.542 0.800 0.400 CB 0.670 Z: 27 16.564 1.581 0.616 0.892 0.923 0.615 CB 0.989 27 residues pruned to eliminate duplicates Z: 8 2.707 1.590 0.637 0.898 1.000 0.857 CB 0.281 8 residues pruned to eliminate duplicates Z: 36 29.161 1.762 0.990 0.912 0.914 0.429 CB 1.089 36 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 37 28.753 1.778 0.476 0.916 0.972 0.944 CB 1.326 37 residues pruned to eliminate duplicates Z: 19 19.411 1.634 0.376 0.927 1.000 0.833 O 1.426 19 residues pruned to eliminate duplicates Z: 22 16.185 1.570 0.435 0.790 0.905 0.905 O 1.343 22 residues pruned to eliminate duplicates Z: 34 30.298 1.722 0.639 0.937 0.970 0.909 CB 1.341 34 residues pruned to eliminate duplicates Z: 34 26.176 1.746 0.471 0.914 0.970 0.879 CB 1.293 35 residues pruned to eliminate duplicates Z: 21 22.523 1.592 0.690 0.917 0.950 0.600 CB 1.391 21 residues pruned to eliminate duplicates Z: 24 13.792 1.488 0.518 0.731 0.870 0.609 CB 1.190 24 residues pruned to eliminate duplicates Z: 22 21.378 1.600 0.675 0.841 0.952 0.667 CB 1.363 21 residues pruned to eliminate duplicates Z: 37 26.394 1.779 0.400 0.909 1.000 0.778 CB 1.254 37 residues pruned to eliminate duplicates Z: 26 22.621 1.699 0.489 0.890 0.960 0.680 CB 1.340 26 residues pruned to eliminate duplicates Z: 59 38.784 1.935 0.503 0.868 0.966 0.793 CB 1.325 59 residues pruned to eliminate duplicates Z: 59 32.673 1.889 0.396 0.846 0.931 0.776 CB 1.297 59 residues pruned to eliminate duplicates Z: 51 35.033 1.966 0.412 0.854 0.980 0.860 CB 1.345 51 residues pruned to eliminate duplicates Z: 25 15.411 1.640 0.528 0.690 0.875 0.542 CB 1.205 25 residues pruned to eliminate duplicates Z: 60 40.797 1.884 0.546 0.870 1.000 0.797 CB 1.331 60 residues pruned to eliminate duplicates Z: 48 31.438 1.967 0.336 0.837 1.000 0.787 CB 1.305 48 residues pruned to eliminate duplicates Z: 53 34.058 1.947 0.494 0.855 0.962 0.827 CB 1.247 53 residues pruned to eliminate duplicates Z: 50 38.303 1.922 0.548 0.868 1.000 0.735 CB 1.345 50 residues pruned to eliminate duplicates Z: 41 29.492 1.918 0.405 0.797 1.000 0.825 CB 1.335 41 residues pruned to eliminate duplicates Z: 54 36.817 1.875 0.632 0.817 0.962 0.717 CB 1.304 54 residues pruned to eliminate duplicates Z: 62 37.770 1.912 0.459 0.876 0.984 0.770 CB 1.281 62 residues pruned to eliminate duplicates Z: 60 42.796 1.929 0.557 0.898 1.000 0.729 CB 1.327 61 residues pruned to eliminate duplicates Z: 37 31.789 1.763 0.701 0.918 1.000 0.639 CB 1.245 37 residues pruned to eliminate duplicates Z: 50 33.346 1.936 0.447 0.816 0.959 0.755 CB 1.346 50 residues pruned to eliminate duplicates Z: 39 34.040 1.957 0.504 0.789 1.000 0.684 CB 1.455 39 residues pruned to eliminate duplicates Z: 42 30.011 1.930 0.482 0.766 0.951 0.732 CB 1.360 42 residues pruned to eliminate duplicates Z: 52 41.430 1.896 0.705 0.872 0.980 0.686 CB 1.334 52 residues pruned to eliminate duplicates Z: 50 37.340 1.991 0.510 0.881 1.000 0.796 CB 1.285 50 residues pruned to eliminate duplicates Z: 47 29.577 1.923 0.465 0.800 0.957 0.761 CB 1.245 47 residues pruned to eliminate duplicates Z: 39 32.028 1.918 0.496 0.838 1.000 0.737 CB 1.354 39 residues pruned to eliminate duplicates Z: 27 21.188 2.006 0.400 0.615 0.885 0.692 CB 1.499 27 residues pruned to eliminate duplicates Z: 47 25.446 1.893 0.435 0.770 0.870 0.630 CB 1.251 47 residues pruned to eliminate duplicates Z: 26 18.766 1.994 0.427 0.640 0.840 0.680 CB 1.378 26 residues pruned to eliminate duplicates Z: 40 33.062 1.955 0.538 0.803 0.974 0.795 CB 1.387 40 residues pruned to eliminate duplicates Z: 50 30.732 1.928 0.396 0.831 0.918 0.776 CB 1.335 50 residues pruned to eliminate duplicates Z: 46 29.544 1.949 0.400 0.777 0.956 0.711 CB 1.323 46 residues pruned to eliminate duplicates Z: 59 39.483 1.904 0.548 0.883 0.983 0.845 CB 1.294 59 residues pruned to eliminate duplicates Z: 51 35.076 1.903 0.637 0.836 0.940 0.660 CB 1.268 51 residues pruned to eliminate duplicates Z: 48 36.530 1.983 0.540 0.854 0.979 0.723 CB 1.317 48 residues pruned to eliminate duplicates Z: 55 35.752 1.874 0.568 0.824 0.963 0.796 CB 1.299 55 residues pruned to eliminate duplicates Z: 38 31.084 1.969 0.616 0.820 0.973 0.595 CB 1.250 38 residues pruned to eliminate duplicates Z: 43 31.289 1.942 0.501 0.763 0.929 0.643 CB 1.413 43 residues pruned to eliminate duplicates Z: 51 34.618 1.959 0.640 0.840 0.940 0.700 CB 1.210 51 residues pruned to eliminate duplicates Z: 56 38.551 1.926 0.606 0.845 0.945 0.673 CB 1.321 56 residues pruned to eliminate duplicates Z: 48 38.863 1.985 0.694 0.870 0.979 0.723 CB 1.258 48 residues pruned to eliminate duplicates Z: 46 32.872 1.965 0.670 0.798 0.933 0.622 CB 1.233 46 residues pruned to eliminate duplicates Z: 40 27.743 1.974 0.595 0.725 0.923 0.615 CB 1.248 40 residues pruned to eliminate duplicates Z: 48 37.270 1.964 0.661 0.860 0.957 0.702 CB 1.280 48 residues pruned to eliminate duplicates Z: 46 30.429 1.963 0.551 0.777 0.889 0.644 CB 1.313 46 residues pruned to eliminate duplicates Z: 42 31.157 1.974 0.607 0.817 0.976 0.683 CB 1.194 42 residues pruned to eliminate duplicates Z: 63 35.605 1.844 0.660 0.772 0.952 0.597 CB 1.221 63 residues pruned to eliminate duplicates Z: 18 21.126 1.904 0.519 0.943 1.000 0.765 CB 1.228 18 residues pruned to eliminate duplicates Z: 19 20.908 1.903 0.475 0.934 1.000 0.833 CB 1.224 19 residues pruned to eliminate duplicates Z: 41 26.988 1.924 0.747 0.726 0.900 0.575 CB 1.150 41 residues pruned to eliminate duplicates Z: 71 48.102 1.900 0.825 0.900 0.971 0.700 CB 1.219 71 residues pruned to eliminate duplicates Z: 32 38.282 1.996 1.018 0.957 1.000 0.581 CB 1.171 32 residues pruned to eliminate duplicates Z: 93 56.286 1.978 0.783 0.806 0.924 0.663 CB 1.379 106 residues pruned to eliminate duplicates Z: 35 38.520 2.016 0.836 0.951 0.971 0.735 CB 1.267 35 residues pruned to eliminate duplicates Z: 63 45.500 1.910 0.834 0.852 1.000 0.613 CB 1.220 63 residues pruned to eliminate duplicates Z: 69 47.104 1.903 0.811 0.860 0.971 0.618 CB 1.256 69 residues pruned to eliminate duplicates Z: 29 22.431 1.791 0.918 0.767 0.964 0.571 CB 1.011 29 residues pruned to eliminate duplicates Z: 59 40.088 1.873 0.834 0.816 0.948 0.569 CB 1.227 59 residues pruned to eliminate duplicates Z: 44 36.432 1.983 0.903 0.832 0.953 0.651 CB 1.159 44 residues pruned to eliminate duplicates Z: 71 48.091 1.901 0.861 0.909 0.986 0.629 CB 1.170 71 residues pruned to eliminate duplicates Z: 72 49.006 1.935 0.807 0.853 0.972 0.676 CB 1.265 72 residues pruned to eliminate duplicates Z: 24 24.612 1.908 0.785 0.865 0.957 0.826 CB 1.154 24 residues pruned to eliminate duplicates Z: 45 38.426 1.997 0.973 0.815 0.955 0.636 CB 1.171 45 residues pruned to eliminate duplicates Z: 52 33.789 1.936 0.793 0.795 0.922 0.510 CB 1.143 52 residues pruned to eliminate duplicates Z: 62 42.775 1.916 0.870 0.863 0.967 0.492 CB 1.160 62 residues pruned to eliminate duplicates Z: 39 35.856 2.073 0.471 0.836 0.947 0.842 CB 1.507 39 residues pruned to eliminate duplicates Z: 57 45.001 2.002 0.664 0.838 0.946 0.857 CB 1.425 57 residues pruned to eliminate duplicates Z: 41 29.117 1.970 0.572 0.691 0.900 0.650 CB 1.387 41 residues pruned to eliminate duplicates Z: 58 47.894 1.995 0.761 0.839 0.965 0.789 CB 1.398 58 residues pruned to eliminate duplicates Z: 37 33.627 2.015 0.701 0.760 0.917 0.806 CB 1.415 37 residues pruned to eliminate duplicates Z: 62 44.784 1.967 0.741 0.773 0.918 0.672 CB 1.433 62 residues pruned to eliminate duplicates Z: 55 44.741 1.983 0.780 0.799 0.944 0.759 CB 1.406 55 residues pruned to eliminate duplicates Z: 60 44.966 1.977 0.681 0.782 0.966 0.627 CB 1.423 60 residues pruned to eliminate duplicates Z: 38 35.480 2.012 0.752 0.744 0.946 0.703 CB 1.407 38 residues pruned to eliminate duplicates Z: 32 39.813 2.127 0.679 0.879 1.000 0.839 CB 1.452 32 residues pruned to eliminate duplicates Z: 36 38.833 2.052 0.834 0.791 0.971 0.743 CB 1.390 36 residues pruned to eliminate duplicates Z: 54 48.685 2.035 0.824 0.813 0.925 0.736 CB 1.484 54 residues pruned to eliminate duplicates Z: 59 48.902 1.998 0.773 0.805 0.983 0.759 CB 1.413 59 residues pruned to eliminate duplicates Z: 51 39.144 1.960 0.747 0.718 0.920 0.680 CB 1.443 51 residues pruned to eliminate duplicates Z: 53 46.200 2.019 0.843 0.830 0.904 0.654 CB 1.433 53 residues pruned to eliminate duplicates Z: 33 38.339 2.096 0.836 0.854 0.938 0.812 CB 1.387 33 residues pruned to eliminate duplicates Z: 32 41.205 2.090 0.975 0.865 0.968 0.742 CB 1.358 32 residues pruned to eliminate duplicates Z: 35 37.333 2.058 0.890 0.795 0.941 0.735 CB 1.351 35 residues pruned to eliminate duplicates Z: 43 32.761 1.989 0.755 0.710 0.929 0.619 CB 1.289 43 residues pruned to eliminate duplicates Z: 34 38.511 2.082 0.944 0.838 0.970 0.697 CB 1.277 34 residues pruned to eliminate duplicates Z: 58 44.686 1.988 0.863 0.804 0.930 0.614 CB 1.318 58 residues pruned to eliminate duplicates Z: 63 44.544 1.938 0.858 0.744 0.952 0.581 CB 1.327 63 residues pruned to eliminate duplicates Z: 33 38.163 2.072 0.916 0.849 0.969 0.656 CB 1.301 33 residues pruned to eliminate duplicates Z: 53 49.942 2.030 0.872 0.832 0.942 0.692 CB 1.452 53 residues pruned to eliminate duplicates Z: 38 33.814 2.011 0.750 0.772 0.946 0.703 CB 1.312 38 residues pruned to eliminate duplicates Z: 36 36.060 2.061 0.791 0.799 0.943 0.657 CB 1.348 36 residues pruned to eliminate duplicates Z: 35 40.762 2.064 0.895 0.828 1.000 0.676 CB 1.345 35 residues pruned to eliminate duplicates Z: 34 40.262 2.098 0.916 0.827 0.939 0.667 CB 1.398 34 residues pruned to eliminate duplicates Z: 35 38.006 2.073 0.720 0.816 0.941 0.794 CB 1.476 35 residues pruned to eliminate duplicates Z: 32 40.034 2.087 0.793 0.857 0.968 0.742 CB 1.463 32 residues pruned to eliminate duplicates Z: 55 44.694 2.004 0.715 0.788 0.926 0.722 CB 1.483 55 residues pruned to eliminate duplicates Z: 35 35.702 2.084 0.657 0.825 0.912 0.794 CB 1.468 35 residues pruned to eliminate duplicates Z: 26 21.931 1.895 0.717 0.674 0.840 0.520 CB 1.367 26 residues pruned to eliminate duplicates Z: 56 35.694 1.947 0.578 0.726 0.927 0.655 CB 1.378 56 residues pruned to eliminate duplicates Z: 54 47.347 2.021 0.775 0.811 0.943 0.698 CB 1.466 54 residues pruned to eliminate duplicates Z: 53 48.386 2.044 0.786 0.835 0.923 0.673 CB 1.491 53 residues pruned to eliminate duplicates Z: 56 38.856 1.963 0.654 0.805 0.927 0.600 CB 1.334 56 residues pruned to eliminate duplicates Z: 23 26.601 1.904 0.657 0.801 0.955 0.773 CB 1.448 23 residues pruned to eliminate duplicates Z: 128 64.025 1.936 0.696 0.774 0.945 0.709 CB 1.438 281 residues pruned to eliminate duplicates Z: 24 25.673 1.850 0.659 0.903 0.957 0.870 CB 1.299 24 residues pruned to eliminate duplicates Z: 27 29.466 1.926 0.811 0.817 0.962 0.808 CB 1.308 27 residues pruned to eliminate duplicates Z: 29 25.191 1.910 0.741 0.747 0.893 0.786 CB 1.286 29 residues pruned to eliminate duplicates Z: 23 28.529 1.846 0.879 0.794 0.955 0.864 CB 1.419 23 residues pruned to eliminate duplicates Z: 54 47.158 2.031 0.698 0.833 0.962 0.736 CB 1.465 54 residues pruned to eliminate duplicates Z: 57 46.708 1.978 0.770 0.769 0.964 0.768 CB 1.457 57 residues pruned to eliminate duplicates Z: 25 24.111 1.919 0.723 0.738 0.917 0.750 CA 1.312 25 residues pruned to eliminate duplicates Z: 24 27.903 1.930 0.747 0.754 0.913 0.739 CA 1.507 24 residues pruned to eliminate duplicates Z: 56 49.888 2.032 0.774 0.847 0.964 0.745 CB 1.438 56 residues pruned to eliminate duplicates Z: 24 29.554 1.968 0.829 0.781 0.913 0.826 CB 1.464 24 residues pruned to eliminate duplicates Z: 25 18.948 1.778 0.877 0.652 0.875 0.708 CB 1.149 25 residues pruned to eliminate duplicates Z: 27 23.110 1.873 0.731 0.809 0.962 0.615 CB 1.111 27 residues pruned to eliminate duplicates Z: 28 30.462 1.913 0.883 0.790 0.963 0.741 CB 1.310 28 residues pruned to eliminate duplicates Z: 55 48.665 2.043 0.804 0.839 0.963 0.778 CB 1.394 55 residues pruned to eliminate duplicates Z: 16 11.173 1.654 0.648 0.701 0.867 0.600 CB 1.017 16 residues pruned to eliminate duplicates Z: 108 55.215 1.889 0.642 0.804 0.981 0.785 CB 1.345 108 residues pruned to eliminate duplicates Z: 6 4.713 1.331 0.530 0.493 1.000 0.600 N 1.042 Z: 12 7.855 1.633 0.425 0.891 1.000 0.909 CB 0.732 18 residues pruned to eliminate duplicates Z: 26 33.914 2.028 0.709 0.929 0.960 0.800 CA 1.427 Z: 26 26.100 2.012 0.462 0.919 0.920 0.880 CA 1.359 26 residues pruned to eliminate duplicates Z: 21 30.215 2.081 0.602 0.913 0.950 0.800 CA 1.510 21 residues pruned to eliminate duplicates Z: 23 39.301 2.067 0.824 0.929 1.000 0.773 CB 1.555 23 residues pruned to eliminate duplicates Z: 27 30.668 2.025 0.553 0.928 0.923 0.846 CA 1.451 27 residues pruned to eliminate duplicates Z: 26 26.530 1.944 0.747 0.789 0.840 0.720 CA 1.443 23 residues pruned to eliminate duplicates Z: 28 34.965 1.930 0.825 0.931 0.926 0.778 CA 1.442 31 residues pruned to eliminate duplicates Z: 28 35.448 2.005 0.814 0.922 0.963 0.926 CA 1.370 27 residues pruned to eliminate duplicates Z: 27 37.031 2.011 0.697 0.928 1.000 0.769 CA 1.490 27 residues pruned to eliminate duplicates Z: 30 34.164 1.957 0.727 0.869 0.966 0.724 CA 1.421 30 residues pruned to eliminate duplicates Z: 43 37.535 1.922 0.746 0.813 0.929 0.714 CA 1.416 30 residues pruned to eliminate duplicates Z: 29 29.999 1.907 0.850 0.855 0.821 0.714 CB 1.444 29 residues pruned to eliminate duplicates Z: 24 41.818 2.059 1.017 0.950 0.957 0.870 CA 1.514 27 residues pruned to eliminate duplicates Z: 26 40.390 2.015 0.890 0.930 0.960 0.760 CA 1.545 24 residues pruned to eliminate duplicates Z: 28 36.423 1.925 0.886 0.906 0.926 0.778 CA 1.484 28 residues pruned to eliminate duplicates Z: 27 41.746 2.030 0.938 0.921 0.923 0.885 CA 1.587 27 residues pruned to eliminate duplicates Z: 26 40.161 2.020 0.878 0.936 0.960 0.680 CA 1.536 26 residues pruned to eliminate duplicates Z: 26 36.519 2.028 0.875 0.918 0.920 0.880 CA 1.473 26 residues pruned to eliminate duplicates Z: 49 37.918 1.975 0.783 0.795 0.854 0.771 CA 1.405 88 residues pruned to eliminate duplicates Z: 40 37.870 1.939 0.876 0.826 0.872 0.821 CA 1.442 Z: 27 41.315 2.019 0.927 0.928 0.962 0.808 CA 1.517 27 residues pruned to eliminate duplicates Z: 43 39.619 1.949 0.813 0.768 0.905 0.762 CA 1.508 38 residues pruned to eliminate duplicates Z: 28 39.029 1.976 1.018 0.913 0.926 0.741 CA 1.439 28 residues pruned to eliminate duplicates Z: 26 39.233 2.051 0.854 0.939 0.960 0.800 CA 1.493 26 residues pruned to eliminate duplicates Z: 33 36.162 1.977 0.953 0.785 0.844 0.656 CB 1.528 33 residues pruned to eliminate duplicates Z: 34 34.670 1.970 0.756 0.780 0.909 0.697 CA 1.498 34 residues pruned to eliminate duplicates Z: 48 29.568 1.797 0.401 0.817 0.957 0.809 CB 1.359 48 residues pruned to eliminate duplicates Z: 19 16.802 1.741 0.325 0.906 0.944 0.889 CB 1.293 19 residues pruned to eliminate duplicates Z: 26 21.400 1.816 0.308 0.919 0.960 0.880 CA 1.323 26 residues pruned to eliminate duplicates Z: 27 22.634 1.764 0.552 0.891 0.962 0.885 CA 1.212 27 residues pruned to eliminate duplicates Z: 30 23.395 1.774 0.450 0.833 0.931 0.759 CA 1.361 30 residues pruned to eliminate duplicates Z: 26 24.629 1.813 0.456 0.919 0.960 0.840 CB 1.370 26 residues pruned to eliminate duplicates Z: 25 24.244 1.803 0.509 0.923 0.958 0.833 CB 1.334 25 residues pruned to eliminate duplicates Z: 33 21.856 1.719 0.514 0.778 0.969 0.625 CB 1.199 33 residues pruned to eliminate duplicates Z: 39 31.439 1.803 0.685 0.812 1.000 0.921 CB 1.279 39 residues pruned to eliminate duplicates Z: 26 27.433 1.818 0.718 0.934 0.920 0.840 CB 1.332 26 residues pruned to eliminate duplicates Z: 21 24.501 1.872 0.540 0.889 0.950 0.800 CB 1.440 21 residues pruned to eliminate duplicates Z: 24 26.212 1.818 0.656 0.917 1.000 0.652 CB 1.282 24 residues pruned to eliminate duplicates Z: 21 26.579 1.880 0.730 0.883 0.900 0.650 CB 1.469 21 residues pruned to eliminate duplicates Z: 21 24.396 1.865 0.686 0.879 0.850 0.750 CB 1.481 21 residues pruned to eliminate duplicates Z: 22 24.212 1.829 0.701 0.846 0.905 0.714 CA 1.395 22 residues pruned to eliminate duplicates Z: 45 39.661 1.905 0.722 0.865 0.977 0.864 CB 1.367 45 residues pruned to eliminate duplicates Z: 23 26.890 1.851 0.792 0.842 0.955 0.773 CB 1.349 23 residues pruned to eliminate duplicates Z: 30 24.923 1.809 0.594 0.830 0.966 0.724 CB 1.250 30 residues pruned to eliminate duplicates Z: 34 32.763 1.881 0.737 0.818 0.939 0.576 CB 1.410 34 residues pruned to eliminate duplicates Z: 31 24.242 1.729 0.765 0.774 0.867 0.667 CB 1.313 31 residues pruned to eliminate duplicates Z: 24 24.789 1.825 0.848 0.750 0.870 0.478 CB 1.410 24 residues pruned to eliminate duplicates Z: 29 24.165 1.775 0.777 0.831 0.857 0.607 CB 1.269 29 residues pruned to eliminate duplicates Z: 23 27.020 1.834 0.856 0.805 0.909 0.682 CA 1.426 23 residues pruned to eliminate duplicates Z: 28 26.046 1.796 0.754 0.862 0.926 0.704 CB 1.262 28 residues pruned to eliminate duplicates Z: 11 8.985 1.394 0.781 0.736 0.800 0.400 C 1.157 11 residues pruned to eliminate duplicates Z: 10 13.348 1.542 0.788 0.839 0.889 0.667 CA 1.355 10 residues pruned to eliminate duplicates Z: 11 11.397 1.502 0.832 0.707 0.900 0.500 N 1.207 11 residues pruned to eliminate duplicates Z: 15 14.655 1.431 0.724 0.930 1.000 0.857 CA 1.110 16 residues pruned to eliminate duplicates Z: 15 13.531 1.416 0.593 0.917 1.000 0.929 CA 1.131 15 residues pruned to eliminate duplicates Z: 6 7.043 1.505 0.425 0.808 1.000 1.000 CB 1.123 6 residues pruned to eliminate duplicates Z: 7 3.453 1.387 0.573 0.447 0.667 0.667 CB 1.023 7 residues pruned to eliminate duplicates Z: 6 4.706 1.451 0.472 0.674 0.800 0.600 N 1.049 6 residues pruned to eliminate duplicates Z: 8 4.437 1.424 0.493 0.616 0.857 0.714 CB 0.825 8 residues pruned to eliminate duplicates Z: 8 5.339 1.379 0.732 0.611 0.857 0.571 CB 0.887 8 residues pruned to eliminate duplicates Z: 6 6.009 1.370 0.492 0.888 1.000 1.000 CA 0.947 5 residues pruned to eliminate duplicates Z: 6 3.997 1.290 0.424 0.655 0.800 0.800 CA 1.053 6 residues pruned to eliminate duplicates Z: 7 3.695 1.372 0.243 0.789 1.000 0.500 CB 0.687 Z: 10 7.651 1.397 0.555 0.820 1.000 0.778 CB 0.890 11 residues pruned to eliminate duplicates Z: 9 8.949 1.442 0.689 0.804 0.875 0.750 CB 1.138 9 residues pruned to eliminate duplicates Z: 6 4.573 1.460 0.255 0.441 1.000 0.800 CB 1.187 6 residues pruned to eliminate duplicates Z: 6 4.649 1.452 0.329 0.491 1.000 1.000 N 1.087 6 residues pruned to eliminate duplicates Z: 6 4.865 1.453 0.335 0.506 1.000 0.800 N 1.115 6 residues pruned to eliminate duplicates Z: 16 20.955 1.913 0.568 0.881 1.000 0.933 CA 1.307 Z: 38 36.516 1.971 0.667 0.903 0.973 0.892 CA 1.338 16 residues pruned to eliminate duplicates Z: 22 24.898 1.838 0.561 0.943 1.000 0.952 CA 1.313 22 residues pruned to eliminate duplicates Z: 39 39.204 1.914 0.710 0.909 1.000 0.789 CA 1.379 38 residues pruned to eliminate duplicates Z: 38 35.372 1.970 0.613 0.912 0.946 0.838 CA 1.370 38 residues pruned to eliminate duplicates Z: 64 62.662 2.065 0.930 0.875 0.984 0.794 CA 1.465 39 residues pruned to eliminate duplicates Z: 38 47.918 1.973 0.974 0.935 1.000 0.784 CA 1.410 39 residues pruned to eliminate duplicates Z: 39 48.030 1.938 1.008 0.931 1.000 0.684 CA 1.399 39 residues pruned to eliminate duplicates Z: 60 53.487 2.025 0.861 0.800 0.949 0.746 CA 1.498 60 residues pruned to eliminate duplicates Z: 44 38.750 2.020 0.727 0.748 0.977 0.698 CA 1.389 44 residues pruned to eliminate duplicates Z: 46 41.000 2.028 0.729 0.767 0.933 0.778 CB 1.474 46 residues pruned to eliminate duplicates Z: 39 46.487 2.056 0.856 0.837 0.974 0.684 CA 1.518 39 residues pruned to eliminate duplicates Z: 59 49.169 1.997 0.938 0.764 0.897 0.672 CB 1.472 59 residues pruned to eliminate duplicates Z: 23 31.596 2.017 0.886 0.791 0.955 0.727 CA 1.437 23 residues pruned to eliminate duplicates Z: 57 54.375 2.047 0.804 0.889 0.982 0.839 CA 1.442 49 residues pruned to eliminate duplicates Z: 30 43.559 2.005 1.142 0.900 0.966 0.724 CA 1.394 30 residues pruned to eliminate duplicates Z: 56 47.687 2.069 0.620 0.885 0.964 0.800 CA 1.437 56 residues pruned to eliminate duplicates Z: 58 47.386 2.029 0.827 0.786 0.930 0.772 CA 1.416 58 residues pruned to eliminate duplicates Z: 23 27.636 2.034 0.924 0.719 0.864 0.682 CA 1.429 23 residues pruned to eliminate duplicates Z: 39 45.245 2.085 0.850 0.848 1.000 0.737 CA 1.411 39 residues pruned to eliminate duplicates Z: 56 49.799 2.046 0.773 0.860 0.964 0.745 CA 1.413 56 residues pruned to eliminate duplicates Z: 39 43.404 2.115 0.764 0.819 0.974 0.763 CA 1.470 39 residues pruned to eliminate duplicates Z: 50 44.473 2.061 0.668 0.831 0.959 0.776 CA 1.448 50 residues pruned to eliminate duplicates Z: 39 40.483 2.074 0.727 0.832 0.974 0.816 CA 1.414 39 residues pruned to eliminate duplicates Z: 42 49.801 2.095 0.981 0.851 0.951 0.707 CA 1.458 42 residues pruned to eliminate duplicates Z: 37 40.466 2.019 0.923 0.796 0.917 0.722 CA 1.463 37 residues pruned to eliminate duplicates Z: 26 28.987 2.096 0.640 0.824 0.920 0.760 CA 1.384 26 residues pruned to eliminate duplicates Z: 41 39.395 2.077 0.817 0.768 0.950 0.750 CA 1.371 41 residues pruned to eliminate duplicates Z: 59 54.290 2.032 0.876 0.843 0.983 0.845 CA 1.417 59 residues pruned to eliminate duplicates Z: 49 49.913 2.051 0.893 0.811 0.979 0.583 CB 1.446 49 residues pruned to eliminate duplicates Z: 45 44.899 2.044 0.892 0.769 0.977 0.795 CA 1.411 45 residues pruned to eliminate duplicates Z: 60 63.402 2.046 0.999 0.884 0.983 0.729 CA 1.483 60 residues pruned to eliminate duplicates Z: 43 51.244 2.123 0.902 0.863 0.976 0.714 CA 1.471 43 residues pruned to eliminate duplicates Z: 54 54.149 2.061 0.871 0.858 0.981 0.717 CB 1.448 54 residues pruned to eliminate duplicates Z: 45 52.008 2.106 0.887 0.861 0.977 0.795 CB 1.483 45 residues pruned to eliminate duplicates Z: 38 47.030 2.114 0.953 0.812 0.973 0.649 CA 1.468 38 residues pruned to eliminate duplicates Z: 51 46.633 2.048 0.990 0.760 0.920 0.660 CB 1.396 51 residues pruned to eliminate duplicates Z: 41 52.857 2.116 0.996 0.845 0.975 0.725 CA 1.508 41 residues pruned to eliminate duplicates Z: 56 61.672 2.110 0.922 0.871 1.000 0.800 CB 1.496 56 residues pruned to eliminate duplicates Z: 55 60.858 2.105 0.894 0.885 1.000 0.833 CB 1.500 55 residues pruned to eliminate duplicates Z: 40 47.920 2.097 0.918 0.845 0.974 0.641 CB 1.456 40 residues pruned to eliminate duplicates Z: 48 53.446 2.125 0.793 0.900 1.000 0.787 CA 1.461 48 residues pruned to eliminate duplicates Z: 49 51.919 2.087 0.964 0.816 0.958 0.708 CB 1.449 49 residues pruned to eliminate duplicates Z: 51 52.339 2.074 0.946 0.824 0.960 0.680 CB 1.443 51 residues pruned to eliminate duplicates Z: 56 52.841 2.047 0.924 0.861 0.945 0.691 CA 1.405 56 residues pruned to eliminate duplicates Z: 55 52.614 2.071 0.754 0.876 0.981 0.667 CB 1.459 55 residues pruned to eliminate duplicates Z: 56 55.467 2.053 0.934 0.873 0.964 0.673 CB 1.424 56 residues pruned to eliminate duplicates Z: 34 36.556 2.026 0.767 0.925 0.970 0.636 CB 1.286 34 residues pruned to eliminate duplicates Z: 50 50.469 2.070 1.015 0.816 0.959 0.592 CB 1.369 50 residues pruned to eliminate duplicates Z: 49 49.737 2.078 0.981 0.790 0.938 0.583 CB 1.442 49 residues pruned to eliminate duplicates Z: 54 46.947 2.072 0.951 0.765 0.925 0.547 CB 1.363 16 residues pruned to eliminate duplicates Z: 28 28.289 1.954 0.572 0.857 0.963 0.926 CA 1.356 15 residues pruned to eliminate duplicates Z: 32 35.268 1.946 0.787 0.860 0.968 0.839 CA 1.383 32 residues pruned to eliminate duplicates Z: 61 56.000 2.052 0.921 0.818 0.967 0.650 CB 1.440 56 residues pruned to eliminate duplicates Z: 38 39.729 1.959 0.820 0.894 0.946 0.757 CA 1.389 38 residues pruned to eliminate duplicates Z: 53 49.721 2.061 0.767 0.829 0.981 0.788 CA 1.453 53 residues pruned to eliminate duplicates Z: 17 22.285 1.847 0.748 0.797 1.000 0.812 CA 1.331 Z: 39 40.068 1.944 0.728 0.928 1.000 0.842 CA 1.355 49 residues pruned to eliminate duplicates Z: 38 44.661 1.966 0.908 0.913 1.000 0.838 CA 1.385 38 residues pruned to eliminate duplicates Z: 36 29.908 1.775 0.542 0.929 1.000 0.886 CB 1.292 36 residues pruned to eliminate duplicates Z: 33 27.946 1.809 0.614 0.763 0.969 0.781 CA 1.383 33 residues pruned to eliminate duplicates Z: 24 24.054 1.864 0.545 0.907 0.957 0.696 CB 1.295 24 residues pruned to eliminate duplicates Z: 36 28.890 1.835 0.494 0.826 1.000 0.657 CB 1.342 36 residues pruned to eliminate duplicates Z: 37 31.454 1.825 0.590 0.823 1.000 0.722 CB 1.365 37 residues pruned to eliminate duplicates Z: 43 24.195 1.717 0.570 0.668 0.905 0.619 CB 1.310 43 residues pruned to eliminate duplicates Z: 41 26.609 1.798 0.518 0.736 0.950 0.700 CB 1.314 41 residues pruned to eliminate duplicates Z: 32 26.056 1.755 0.918 0.713 0.968 0.581 CB 1.184 50 residues pruned to eliminate duplicates Z: 35 35.250 1.834 0.697 0.933 1.000 0.765 CB 1.355 35 residues pruned to eliminate duplicates Z: 42 31.962 1.788 0.637 0.801 0.976 0.634 CB 1.344 42 residues pruned to eliminate duplicates Z: 40 27.772 1.753 0.804 0.728 0.897 0.641 CB 1.277 40 residues pruned to eliminate duplicates Z: 37 30.334 1.852 0.768 0.727 0.972 0.639 CB 1.294 37 residues pruned to eliminate duplicates Z: 41 32.038 1.842 0.635 0.790 0.975 0.625 CB 1.337 41 residues pruned to eliminate duplicates Z: 33 34.486 1.860 0.865 0.823 0.969 0.594 CB 1.371 33 residues pruned to eliminate duplicates Z: 42 31.904 1.790 0.756 0.781 0.951 0.585 CB 1.301 42 residues pruned to eliminate duplicates Z: 45 21.344 1.745 0.537 0.636 0.864 0.614 CB 1.223 45 residues pruned to eliminate duplicates Z: 19 19.780 1.737 0.418 0.929 1.000 0.944 CB 1.324 19 residues pruned to eliminate duplicates Z: 46 29.672 1.807 0.630 0.739 0.933 0.622 CB 1.299 46 residues pruned to eliminate duplicates Z: 19 21.389 1.805 0.549 0.820 0.944 0.778 CB 1.446 Z: 35 36.182 1.851 0.765 0.949 0.971 0.676 CB 1.351 54 residues pruned to eliminate duplicates Z: 19 23.438 1.787 0.627 0.888 0.944 0.667 CB 1.450 Z: 37 33.034 1.756 0.909 0.890 0.972 0.694 CB 1.215 56 residues pruned to eliminate duplicates Z: 19 20.386 1.764 0.611 0.864 0.944 0.722 CB 1.313 Z: 21 21.295 1.735 0.884 0.927 0.950 0.750 CB 1.074 19 residues pruned to eliminate duplicates Z: 36 29.153 1.791 0.818 0.902 0.914 0.514 CB 1.180 57 residues pruned to eliminate duplicates Z: 14 15.650 1.783 0.758 0.882 0.923 0.615 CB 1.086 Z: 18 22.564 1.763 0.740 0.923 0.941 0.647 CB 1.333 14 residues pruned to eliminate duplicates Z: 18 24.646 1.801 0.963 0.916 0.882 0.529 CB 1.353 36 residues pruned to eliminate duplicates Z: 12 15.165 1.745 0.639 0.882 1.000 0.545 CB 1.157 Z: 35 38.544 1.863 0.921 0.940 0.971 0.529 CB 1.321 47 residues pruned to eliminate duplicates Z: 21 13.460 1.684 0.702 0.626 0.850 0.450 CB 1.097 21 residues pruned to eliminate duplicates Z: 17 21.893 1.743 0.791 0.922 1.000 0.688 CB 1.233 Z: 36 29.718 1.783 0.993 0.909 0.914 0.457 CB 1.098 53 residues pruned to eliminate duplicates Z: 15 14.790 1.760 0.503 0.780 0.857 0.571 CB 1.363 Z: 29 25.904 1.790 0.467 0.879 0.964 0.857 CA 1.402 Z: 53 33.143 1.775 0.555 0.863 0.942 0.769 CB 1.297 82 residues pruned to eliminate duplicates Z: 13 13.629 1.866 0.473 0.639 0.917 0.750 CB 1.370 Z: 27 26.444 1.850 0.374 0.931 1.000 0.808 CA 1.426 11 residues pruned to eliminate duplicates Z: 28 28.254 1.859 0.443 0.896 1.000 0.741 CB 1.453 29 residues pruned to eliminate duplicates Z: 27 23.138 1.760 0.328 0.919 0.962 0.808 CB 1.422 27 residues pruned to eliminate duplicates Z: 43 36.510 1.813 0.885 0.799 0.929 0.452 CB 1.367 71 residues pruned to eliminate duplicates Z: 22 23.909 1.832 0.621 0.735 0.952 0.571 CA 1.494 Z: 22 22.554 1.749 0.607 0.868 1.000 0.619 CB 1.280 23 residues pruned to eliminate duplicates Z: 27 29.277 1.830 0.609 0.909 0.962 0.692 CB 1.439 21 residues pruned to eliminate duplicates Z: 19 32.305 1.916 0.811 0.941 1.000 0.500 CB 1.523 19 residues pruned to eliminate duplicates Z: 27 28.461 1.785 0.559 0.919 1.000 0.731 CA 1.413 27 residues pruned to eliminate duplicates Z: 24 25.222 1.826 0.893 0.726 0.870 0.522 CB 1.427 24 residues pruned to eliminate duplicates Z: 30 29.391 1.849 0.970 0.746 0.897 0.414 CB 1.342 57 residues pruned to eliminate duplicates Z: 30 32.750 1.837 0.876 0.863 0.966 0.621 CB 1.340 Z: 27 33.795 1.816 0.916 0.926 0.962 0.500 CB 1.389 28 residues pruned to eliminate duplicates Z: 26 25.702 1.765 0.858 0.880 0.920 0.600 CB 1.234 26 residues pruned to eliminate duplicates Z: 44 39.866 1.866 0.894 0.837 0.977 0.698 CB 1.317 73 residues pruned to eliminate duplicates Z: 36 27.751 1.762 0.831 0.734 0.914 0.514 CB 1.288 Z: 28 27.955 1.813 0.924 0.876 0.926 0.481 CB 1.211 27 residues pruned to eliminate duplicates Z: 28 27.547 1.758 0.870 0.889 0.963 0.556 CB 1.206 29 residues pruned to eliminate duplicates Z: 28 33.477 1.839 0.913 0.947 1.000 0.519 CB 1.265 37 residues pruned to eliminate duplicates Z: 29 31.046 1.817 0.986 0.913 0.964 0.536 CB 1.194 29 residues pruned to eliminate duplicates Z: 28 34.737 1.834 0.905 0.935 1.000 0.519 CB 1.333 27 residues pruned to eliminate duplicates Z: 17 15.002 1.696 0.674 0.807 0.938 0.625 CB 1.078 17 residues pruned to eliminate duplicates Z: 18 16.414 1.672 0.593 0.853 1.000 0.588 CB 1.105 17 residues pruned to eliminate duplicates Z: 23 26.553 1.724 0.868 0.918 1.000 0.682 CB 1.240 23 residues pruned to eliminate duplicates Z: 30 33.774 1.864 0.936 0.894 0.966 0.621 CB 1.291 30 residues pruned to eliminate duplicates Z: 16 17.296 1.763 0.709 0.665 0.867 0.733 CA 1.468 18 residues pruned to eliminate duplicates Z: 31 37.531 1.968 0.660 0.920 1.000 0.867 CA 1.478 74 residues pruned to eliminate duplicates Z: 14 19.423 1.959 0.654 0.704 0.923 0.769 CB 1.496 Z: 30 37.125 1.985 0.598 0.935 1.000 0.862 CA 1.515 44 residues pruned to eliminate duplicates Z: 32 36.745 1.978 0.689 0.840 0.968 0.839 CA 1.524 32 residues pruned to eliminate duplicates Z: 15 19.535 1.814 0.800 0.678 0.929 0.571 CA 1.462 4 residues pruned to eliminate duplicates Z: 30 39.304 1.998 0.691 0.930 1.000 0.759 CA 1.511 48 residues pruned to eliminate duplicates Z: 29 35.485 1.956 0.874 0.838 0.964 0.679 CB 1.418 29 residues pruned to eliminate duplicates Z: 34 38.228 1.899 0.807 0.795 0.970 0.758 CB 1.544 34 residues pruned to eliminate duplicates Z: 50 50.750 2.038 0.828 0.846 0.939 0.735 CB 1.540 50 residues pruned to eliminate duplicates Z: 20 22.047 1.990 0.844 0.745 0.842 0.579 CB 1.314 20 residues pruned to eliminate duplicates Z: 58 60.681 2.021 0.906 0.900 0.965 0.702 CB 1.545 58 residues pruned to eliminate duplicates Z: 17 23.267 2.048 1.008 0.703 0.875 0.438 CB 1.344 17 residues pruned to eliminate duplicates Z: 32 30.666 1.894 0.968 0.705 0.903 0.710 CB 1.357 32 residues pruned to eliminate duplicates Z: 22 35.605 2.004 0.921 0.903 0.952 0.619 CB 1.510 22 residues pruned to eliminate duplicates Z: 32 40.994 1.963 0.971 0.835 1.000 0.677 CB 1.426 32 residues pruned to eliminate duplicates Z: 23 34.094 1.925 1.090 0.799 0.955 0.545 CB 1.456 23 residues pruned to eliminate duplicates Z: 23 35.356 1.955 0.961 0.841 1.000 0.545 CB 1.466 23 residues pruned to eliminate duplicates Z: 32 43.548 1.958 1.198 0.851 1.000 0.710 CB 1.345 32 residues pruned to eliminate duplicates Z: 15 20.068 1.759 0.898 0.741 0.929 0.786 CB 1.394 15 residues pruned to eliminate duplicates Z: 31 46.927 2.024 1.183 0.885 1.000 0.633 CB 1.401 31 residues pruned to eliminate duplicates Z: 22 34.317 1.967 1.195 0.842 0.905 0.476 CB 1.428 22 residues pruned to eliminate duplicates Z: 31 48.321 2.003 1.240 0.882 0.967 0.533 CB 1.472 31 residues pruned to eliminate duplicates Z: 61 68.831 2.063 1.072 0.847 1.000 0.750 CB 1.543 61 residues pruned to eliminate duplicates Z: 14 28.788 1.867 1.326 0.862 1.000 0.692 CA 1.350 14 residues pruned to eliminate duplicates Z: 25 34.876 1.943 1.163 0.774 0.917 0.458 CB 1.451 25 residues pruned to eliminate duplicates Z: 31 35.492 1.924 1.184 0.696 0.933 0.367 CB 1.382 31 residues pruned to eliminate duplicates Z: 32 49.685 1.979 1.227 0.894 1.000 0.613 CB 1.453 32 residues pruned to eliminate duplicates Z: 8 5.297 1.385 0.156 0.757 1.000 0.714 CA 0.995 8 residues pruned to eliminate duplicates Z: 9 6.273 1.333 0.351 0.842 0.875 0.625 N 1.049 9 residues pruned to eliminate duplicates Z: 9 7.801 1.421 0.285 0.727 1.000 0.500 CA 1.231 9 residues pruned to eliminate duplicates Z: 7 4.894 1.407 0.270 0.655 1.000 0.667 CA 0.969 7 residues pruned to eliminate duplicates Z: 10 5.758 1.442 0.352 0.457 0.778 0.556 N 1.322 10 residues pruned to eliminate duplicates 7 1.767 1.317 0.278 0.391 0.667 0.667 CB 0.722 ? Z: 11 7.084 1.434 0.296 0.663 0.800 0.700 N 1.295 11 residues pruned to eliminate duplicates Z: 11 6.966 1.390 0.043 0.869 1.000 0.800 CA 1.109 11 residues pruned to eliminate duplicates Z: 11 7.532 1.405 0.308 0.745 1.000 0.600 CA 1.041 11 residues pruned to eliminate duplicates Z: 48 27.127 1.730 0.351 0.851 0.957 0.723 CB 1.309 48 residues pruned to eliminate duplicates Z: 17 9.238 1.447 0.137 0.776 1.000 0.688 CA 1.099 17 residues pruned to eliminate duplicates Z: 8 6.233 1.468 -0.024 0.846 1.000 1.000 CB 1.221 8 residues pruned to eliminate duplicates Z: 9 9.287 1.502 0.523 0.820 1.000 0.750 CB 1.088 9 residues pruned to eliminate duplicates Z: 38 25.070 1.813 0.320 0.801 0.973 0.811 CA 1.360 38 residues pruned to eliminate duplicates Z: 8 6.116 1.505 0.289 0.743 0.857 0.857 CB 1.118 8 residues pruned to eliminate duplicates Z: 21 17.927 1.619 0.455 0.872 1.000 0.800 CB 1.240 21 residues pruned to eliminate duplicates Z: 38 22.670 1.801 0.326 0.785 0.946 0.838 CB 1.284 38 residues pruned to eliminate duplicates Z: 39 24.757 1.800 0.441 0.778 0.895 0.711 CB 1.354 39 residues pruned to eliminate duplicates Z: 39 25.242 1.811 0.334 0.834 0.974 0.868 CB 1.305 39 residues pruned to eliminate duplicates Z: 27 18.759 1.699 0.415 0.730 0.962 0.731 CB 1.294 27 residues pruned to eliminate duplicates Z: 37 24.337 1.795 0.499 0.758 0.889 0.694 CB 1.348 37 residues pruned to eliminate duplicates Z: 48 26.909 1.744 0.440 0.749 0.915 0.723 CA 1.367 48 residues pruned to eliminate duplicates Z: 33 24.825 1.865 0.299 0.812 0.969 0.812 CB 1.425 33 residues pruned to eliminate duplicates Z: 30 16.461 1.657 0.430 0.644 0.828 0.690 CB 1.362 30 residues pruned to eliminate duplicates Z: 42 21.978 1.708 0.499 0.714 0.878 0.634 CB 1.257 42 residues pruned to eliminate duplicates Z: 42 22.827 1.765 0.462 0.707 0.878 0.683 CB 1.304 57 residues pruned to eliminate duplicates Z: 43 20.434 1.705 0.381 0.739 0.857 0.667 CB 1.261 43 residues pruned to eliminate duplicates Z: 33 24.622 1.858 0.333 0.836 0.938 0.844 CB 1.403 33 residues pruned to eliminate duplicates Z: 12 10.171 1.381 0.610 0.816 1.000 0.545 CB 1.048 12 residues pruned to eliminate duplicates Z: 12 4.525 1.461 0.411 0.438 0.636 0.364 N 1.108 12 residues pruned to eliminate duplicates Z: 11 7.572 1.436 0.790 0.622 0.800 0.500 CA 1.038 11 residues pruned to eliminate duplicates Z: 15 8.636 1.448 0.589 0.523 0.857 0.357 CA 1.144 15 residues pruned to eliminate duplicates Z: 10 6.627 1.447 0.677 0.666 0.778 0.667 N 1.004 10 residues pruned to eliminate duplicates Z: 14 5.678 1.583 0.661 0.383 0.692 0.308 CB 0.980 14 residues pruned to eliminate duplicates Z: 9 4.214 1.465 0.575 0.302 0.750 0.500 CB 1.073 9 residues pruned to eliminate duplicates Z: 17 10.195 1.419 0.706 0.641 0.938 0.688 CB 0.984 17 residues pruned to eliminate duplicates Z: 23 9.241 1.444 0.529 0.539 0.909 0.545 CB 0.945 23 residues pruned to eliminate duplicates Z: 10 14.452 1.626 0.679 0.802 1.000 0.778 O 1.356 10 residues pruned to eliminate duplicates Z: 17 9.507 1.517 0.645 0.676 0.875 0.625 CB 0.926 17 residues pruned to eliminate duplicates Z: 14 11.725 1.583 0.666 0.767 0.923 0.769 CB 1.054 14 residues pruned to eliminate duplicates Z: 13 8.486 1.494 0.351 0.732 0.917 0.667 CB 1.075 13 residues pruned to eliminate duplicates Z: 11 10.321 1.494 0.365 0.869 1.000 0.900 CB 1.168 11 residues pruned to eliminate duplicates Z: 9 10.265 1.491 0.343 0.891 1.000 0.875 CA 1.303 9 residues pruned to eliminate duplicates Z: 11 8.915 1.448 0.476 0.773 0.900 0.700 N 1.151 11 residues pruned to eliminate duplicates Z: 10 9.872 1.501 0.389 0.901 1.000 0.778 CB 1.126 10 residues pruned to eliminate duplicates Z: 10 10.686 1.539 0.492 0.863 0.889 0.667 CB 1.280 10 residues pruned to eliminate duplicates Z: 11 10.224 1.526 0.323 0.877 1.000 0.700 CB 1.164 11 residues pruned to eliminate duplicates Z: 6 5.125 1.573 -0.003 0.839 0.800 0.800 CB 1.364 6 residues pruned to eliminate duplicates Z: 20 13.171 1.499 0.516 0.677 0.895 0.526 CB 1.262 20 residues pruned to eliminate duplicates Z: 13 12.233 1.411 0.486 0.868 1.000 0.750 CA 1.231 13 residues pruned to eliminate duplicates Z: 11 12.678 1.449 0.651 0.831 1.000 0.800 N 1.258 10 residues pruned to eliminate duplicates Z: 30 44.805 2.128 0.797 0.932 1.000 0.759 CA 1.519 30 residues pruned to eliminate duplicates Z: 33 44.564 2.126 0.856 0.856 1.000 0.750 CB 1.472 33 residues pruned to eliminate duplicates Z: 30 53.296 2.161 1.032 0.946 1.000 0.690 CB 1.559 30 residues pruned to eliminate duplicates Z: 31 44.671 2.131 0.907 0.881 1.000 0.833 CA 1.454 31 residues pruned to eliminate duplicates Z: 32 43.668 2.127 0.858 0.858 0.968 0.903 CA 1.509 32 residues pruned to eliminate duplicates Z: 33 47.928 2.085 1.018 0.859 1.000 0.844 CA 1.482 33 residues pruned to eliminate duplicates Z: 39 45.067 2.112 0.862 0.789 0.974 0.711 CB 1.481 39 residues pruned to eliminate duplicates Z: 54 49.231 2.061 0.813 0.784 0.943 0.679 CA 1.494 51 residues pruned to eliminate duplicates Z: 30 50.626 2.166 0.963 0.925 1.000 0.793 CA 1.552 30 residues pruned to eliminate duplicates Z: 30 50.938 2.173 0.979 0.955 1.000 0.862 CA 1.512 30 residues pruned to eliminate duplicates Z: 37 40.189 2.048 0.870 0.764 0.972 0.778 CA 1.423 37 residues pruned to eliminate duplicates Z: 31 52.030 2.164 1.029 0.919 1.000 0.767 CA 1.524 31 residues pruned to eliminate duplicates Z: 54 62.113 2.103 1.080 0.829 0.981 0.792 CB 1.495 54 residues pruned to eliminate duplicates Z: 57 49.498 2.055 0.839 0.766 0.964 0.768 CA 1.434 57 residues pruned to eliminate duplicates Z: 30 55.957 2.155 1.148 0.960 1.000 0.828 CA 1.537 30 residues pruned to eliminate duplicates Z: 43 38.493 2.048 0.808 0.774 0.929 0.738 CB 1.356 43 residues pruned to eliminate duplicates Z: 31 50.449 2.141 1.064 0.914 1.000 0.900 CA 1.475 31 residues pruned to eliminate duplicates Z: 54 58.038 2.118 0.885 0.827 1.000 0.849 CA 1.505 54 residues pruned to eliminate duplicates Z: 54 57.355 2.101 0.946 0.805 0.962 0.774 CB 1.535 54 residues pruned to eliminate duplicates Z: 30 46.991 2.128 1.005 0.919 1.000 0.931 CA 1.441 30 residues pruned to eliminate duplicates Z: 31 51.343 2.111 1.144 0.929 1.000 0.867 CA 1.449 31 residues pruned to eliminate duplicates Z: 31 52.121 2.145 1.153 0.923 0.967 0.800 CA 1.499 31 residues pruned to eliminate duplicates Z: 29 60.006 2.201 1.285 0.961 1.000 0.821 CA 1.543 29 residues pruned to eliminate duplicates Z: 30 50.586 2.125 1.112 0.923 1.000 0.897 CA 1.471 30 residues pruned to eliminate duplicates Z: 54 58.795 2.107 0.987 0.835 0.962 0.736 CB 1.502 54 residues pruned to eliminate duplicates Z: 45 41.027 1.982 0.974 0.698 0.932 0.545 CB 1.416 45 residues pruned to eliminate duplicates Z: 36 47.671 2.104 1.150 0.782 0.943 0.657 CB 1.474 36 residues pruned to eliminate duplicates Z: 53 57.475 2.118 0.964 0.831 0.962 0.692 CA 1.497 53 residues pruned to eliminate duplicates Z: 55 56.725 2.093 0.895 0.830 0.963 0.648 CB 1.519 55 residues pruned to eliminate duplicates Z: 59 55.482 2.069 0.965 0.815 0.897 0.638 CB 1.520 59 residues pruned to eliminate duplicates Z: 57 48.784 2.043 0.890 0.792 0.893 0.750 CA 1.464 57 residues pruned to eliminate duplicates Z: 28 22.427 1.935 0.598 0.693 0.926 0.704 CB 1.263 28 residues pruned to eliminate duplicates Z: 54 55.564 2.088 0.922 0.820 0.925 0.717 CA 1.559 54 residues pruned to eliminate duplicates Z: 23 29.584 2.042 0.724 0.810 1.000 0.864 CB 1.368 23 residues pruned to eliminate duplicates Z: 28 24.091 1.953 0.651 0.670 0.852 0.556 CB 1.443 28 residues pruned to eliminate duplicates Z: 29 22.448 1.928 0.586 0.619 0.857 0.571 CB 1.447 29 residues pruned to eliminate duplicates Z: 29 25.260 1.947 0.664 0.650 0.893 0.786 CB 1.435 29 residues pruned to eliminate duplicates Z: 51 34.415 1.920 0.941 0.647 0.860 0.500 CB 1.324 51 residues pruned to eliminate duplicates Z: 25 25.586 2.012 0.536 0.724 0.917 0.708 CB 1.507 25 residues pruned to eliminate duplicates Z: 50 58.818 2.113 0.994 0.821 0.980 0.714 CB 1.541 50 residues pruned to eliminate duplicates Z: 27 25.928 1.956 0.672 0.697 0.923 0.769 CA 1.407 27 residues pruned to eliminate duplicates Z: 54 60.096 2.110 0.967 0.846 0.962 0.736 CA 1.536 54 residues pruned to eliminate duplicates Z: 55 60.635 2.090 1.025 0.820 0.981 0.741 CA 1.505 63 residues pruned to eliminate duplicates Z: 25 38.133 2.002 0.882 0.907 1.000 0.792 CA 1.468 21 residues pruned to eliminate duplicates Z: 28 30.749 1.919 0.699 0.858 0.926 0.667 CA 1.444 28 residues pruned to eliminate duplicates Z: 32 29.937 1.935 0.727 0.794 0.935 0.645 CB 1.329 32 residues pruned to eliminate duplicates Z: 26 30.439 1.975 0.895 0.728 0.920 0.680 CB 1.440 26 residues pruned to eliminate duplicates Z: 61 62.031 2.076 0.980 0.858 0.967 0.700 CB 1.484 58 residues pruned to eliminate duplicates Z: 30 29.060 1.854 0.803 0.877 0.931 0.621 CB 1.258 30 residues pruned to eliminate duplicates Z: 20 24.221 1.892 0.780 0.851 0.947 0.526 CB 1.289 20 residues pruned to eliminate duplicates Z: 20 23.939 1.896 0.750 0.837 0.947 0.526 CB 1.307 20 residues pruned to eliminate duplicates Z: 32 32.329 1.959 0.757 0.799 1.000 0.645 CB 1.298 32 residues pruned to eliminate duplicates Z: 21 18.838 1.795 0.910 0.765 0.900 0.700 CB 1.079 21 residues pruned to eliminate duplicates Z: 62 58.429 2.063 0.996 0.830 0.951 0.590 CB 1.436 62 residues pruned to eliminate duplicates Z: 14 15.651 1.741 0.846 0.867 0.923 0.692 CB 1.071 13 residues pruned to eliminate duplicates Z: 29 38.697 1.903 1.013 0.914 0.964 0.607 CB 1.401 29 residues pruned to eliminate duplicates Z: 12 13.315 1.865 0.609 0.873 0.909 0.636 CB 1.072 12 residues pruned to eliminate duplicates Z: 13 15.167 1.849 0.619 0.917 0.917 0.833 CB 1.126 13 residues pruned to eliminate duplicates Z: 32 32.869 1.957 0.847 0.797 0.935 0.581 CB 1.346 32 residues pruned to eliminate duplicates Z: 20 25.066 1.829 0.856 0.916 1.000 0.684 CB 1.197 20 residues pruned to eliminate duplicates Z: 10 9.661 1.654 0.453 0.466 1.000 0.444 CB 1.387 13 residues pruned to eliminate duplicates Z: 29 16.405 1.593 0.237 0.855 0.964 0.821 CB 1.204 29 residues pruned to eliminate duplicates Z: 17 9.643 1.568 0.131 0.740 0.875 0.750 CB 1.252 17 residues pruned to eliminate duplicates Z: 9 4.348 1.646 0.259 0.434 0.750 0.500 CB 1.060 9 residues pruned to eliminate duplicates Z: 13 7.562 1.597 0.359 0.620 0.833 0.500 CB 1.078 13 residues pruned to eliminate duplicates Z: 22 11.673 1.536 0.425 0.638 0.905 0.524 CB 1.130 22 residues pruned to eliminate duplicates Z: 33 18.005 1.578 0.333 0.814 0.938 0.750 CB 1.228 33 residues pruned to eliminate duplicates Z: 22 7.943 1.459 0.417 0.576 0.762 0.619 CB 1.023 22 residues pruned to eliminate duplicates Z: 21 10.575 1.581 0.504 0.619 0.950 0.600 CB 0.936 21 residues pruned to eliminate duplicates Z: 23 10.962 1.527 0.580 0.557 0.818 0.727 CB 1.120 23 residues pruned to eliminate duplicates Z: 20 12.631 1.598 0.410 0.742 0.895 0.632 CB 1.157 20 residues pruned to eliminate duplicates Z: 20 11.220 1.591 0.479 0.708 0.842 0.579 CB 1.075 20 residues pruned to eliminate duplicates Z: 28 17.035 1.567 0.481 0.736 0.963 0.593 CB 1.187 28 residues pruned to eliminate duplicates Z: 34 18.135 1.607 0.482 0.807 0.939 0.697 CB 1.079 34 residues pruned to eliminate duplicates Z: 22 14.005 1.640 0.554 0.792 0.952 0.429 CB 0.974 22 residues pruned to eliminate duplicates Z: 21 15.567 1.645 0.700 0.820 0.850 0.450 CB 1.109 21 residues pruned to eliminate duplicates Z: 21 14.855 1.657 0.637 0.818 0.850 0.400 CB 1.093 21 residues pruned to eliminate duplicates Z: 22 16.859 1.627 0.705 0.814 0.905 0.571 CB 1.116 22 residues pruned to eliminate duplicates Z: 15 10.127 1.649 0.471 0.705 1.000 0.429 CB 0.926 15 residues pruned to eliminate duplicates Z: 20 15.666 1.665 0.641 0.802 0.895 0.526 CB 1.129 20 residues pruned to eliminate duplicates Z: 8 5.357 1.688 0.013 0.686 0.857 0.714 CA 1.165 8 residues pruned to eliminate duplicates Z: 9 4.384 1.494 0.189 0.476 0.750 0.375 N 1.192 9 residues pruned to eliminate duplicates Z: 12 7.023 1.539 0.377 0.704 0.818 0.636 CB 1.013 12 residues pruned to eliminate duplicates Z: 13 11.808 1.708 0.446 0.803 0.917 0.583 CB 1.156 13 residues pruned to eliminate duplicates Z: 19 13.821 1.647 0.559 0.800 0.889 0.500 CB 1.098 19 residues pruned to eliminate duplicates Z: 20 14.195 1.633 0.606 0.736 0.947 0.526 CB 1.061 20 residues pruned to eliminate duplicates Z: 17 9.715 1.578 0.481 0.661 0.938 0.500 CB 0.954 17 residues pruned to eliminate duplicates Z: 21 10.239 1.589 0.504 0.599 0.850 0.350 CB 1.025 21 residues pruned to eliminate duplicates Z: 20 13.072 1.622 0.531 0.701 1.000 0.474 CB 1.005 20 residues pruned to eliminate duplicates Z: 33 28.404 1.759 0.637 0.799 0.969 0.906 CB 1.386 33 residues pruned to eliminate duplicates Z: 7 2.327 1.483 0.037 0.221 0.667 0.333 N 1.286 Z: 16 16.441 1.768 0.456 0.830 1.000 0.800 CA 1.240 23 residues pruned to eliminate duplicates Z: 29 22.918 1.760 0.626 0.703 0.929 0.821 CA 1.355 29 residues pruned to eliminate duplicates Z: 29 25.061 1.778 0.614 0.777 0.929 0.750 CA 1.392 29 residues pruned to eliminate duplicates Z: 19 16.345 1.661 0.744 0.625 0.889 0.611 CA 1.330 19 residues pruned to eliminate duplicates Z: 27 26.736 1.814 0.627 0.846 0.962 0.769 CB 1.372 27 residues pruned to eliminate duplicates Z: 28 34.581 1.803 0.867 0.915 1.000 0.815 CB 1.398 28 residues pruned to eliminate duplicates Z: 28 26.757 1.792 0.429 0.949 1.000 0.889 CB 1.388 28 residues pruned to eliminate duplicates Z: 27 31.007 1.834 0.737 0.827 1.000 0.885 CB 1.439 27 residues pruned to eliminate duplicates Z: 25 20.595 1.784 0.582 0.659 0.958 0.667 CB 1.341 25 residues pruned to eliminate duplicates Z: 28 25.480 1.803 0.546 0.780 1.000 0.741 CA 1.374 28 residues pruned to eliminate duplicates Z: 24 18.783 1.723 0.504 0.658 1.000 0.826 CA 1.305 24 residues pruned to eliminate duplicates Z: 24 20.474 1.763 0.584 0.706 0.957 0.783 CA 1.325 24 residues pruned to eliminate duplicates Z: 23 30.560 1.860 0.835 0.916 1.000 0.818 CA 1.348 23 residues pruned to eliminate duplicates Z: 26 24.054 1.761 0.678 0.793 0.960 0.680 CB 1.312 26 residues pruned to eliminate duplicates Z: 28 31.209 1.809 0.797 0.892 1.000 0.704 CB 1.328 28 residues pruned to eliminate duplicates Z: 28 32.643 1.809 0.848 0.911 1.000 0.889 CB 1.331 28 residues pruned to eliminate duplicates Z: 26 31.393 1.827 0.894 0.881 1.000 0.760 CB 1.313 26 residues pruned to eliminate duplicates Z: 32 30.088 1.785 0.758 0.814 0.935 0.710 CB 1.401 32 residues pruned to eliminate duplicates Z: 31 30.887 1.784 0.799 0.818 1.000 0.767 CB 1.334 31 residues pruned to eliminate duplicates Z: 33 28.264 1.708 0.708 0.777 1.000 0.812 CB 1.341 33 residues pruned to eliminate duplicates Z: 25 24.787 1.839 0.631 0.831 0.958 0.750 CB 1.323 25 residues pruned to eliminate duplicates Z: 29 24.126 1.771 0.649 0.791 0.929 0.750 CB 1.302 29 residues pruned to eliminate duplicates Z: 28 29.746 1.796 0.730 0.891 1.000 0.778 CB 1.325 28 residues pruned to eliminate duplicates Z: 8 10.954 1.667 0.627 0.761 1.000 0.571 O 1.211 8 residues pruned to eliminate duplicates Z: 28 28.062 1.772 0.935 0.886 1.000 0.481 CB 1.137 28 residues pruned to eliminate duplicates Z: 31 30.210 1.805 0.711 0.840 1.000 0.833 CB 1.333 31 residues pruned to eliminate duplicates Z: 27 22.248 1.737 0.631 0.833 0.923 0.808 CB 1.252 27 residues pruned to eliminate duplicates Z: 28 25.478 1.780 0.754 0.870 0.963 0.667 CB 1.191 28 residues pruned to eliminate duplicates 488 residues left after pruning, divided into chains as follows: A: 9 B: 21 C: 7 D: 56 E: 29 F: 28 G: 227 H: 34 I: 77 CC for partial structure against native data = 42.60 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.456, Connect. = 0.724 for dens.mod. cycle 1 = 0.300, Contrast = 0.537, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.641, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.654, Connect. = 0.788 for dens.mod. cycle 4 = 0.300, Contrast = 0.664, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.667, Connect. = 0.792 for dens.mod. cycle 6 = 0.300, Contrast = 0.670, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.672, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.673, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.673, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2705 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 572 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 39 43.028 1.954 0.907 0.914 0.974 0.842 CA 1.360 B: 38 45.709 2.003 0.956 0.924 1.000 0.730 CA 1.346 39 residues pruned to eliminate duplicates C: 36 25.715 1.997 0.056 0.961 1.000 0.971 CB 1.411 D: 24 24.431 2.177 0.189 0.942 0.957 0.957 CB 1.426 24 residues pruned to eliminate duplicates E: 32 39.742 2.030 0.720 0.937 0.968 0.806 CB 1.470 F: 16 26.770 2.202 0.722 0.929 0.933 0.533 CB 1.367 17 residues pruned to eliminate duplicates G: 30 38.747 2.100 0.763 0.949 0.931 0.828 CB 1.440 31 residues pruned to eliminate duplicates H: 25 33.603 1.971 0.765 0.940 1.000 0.958 CB 1.369 I: 29 39.250 2.136 0.734 0.950 0.964 0.821 CB 1.432 29 residues pruned to eliminate duplicates J: 30 46.861 2.136 0.793 0.957 1.000 0.931 CA 1.560 K: 31 50.422 2.101 1.024 0.940 1.000 0.800 CA 1.503 31 residues pruned to eliminate duplicates L: 31 38.554 2.061 0.609 0.939 1.000 0.833 CB 1.475 30 residues pruned to eliminate duplicates M: 36 29.987 1.974 0.495 0.933 0.971 0.657 CB 1.234 35 residues pruned to eliminate duplicates N: 36 29.739 1.807 0.617 0.892 0.943 0.714 CB 1.311 O: 20 31.724 2.017 0.787 0.931 1.000 0.842 CB 1.411 20 residues pruned to eliminate duplicates P: 29 46.994 2.190 0.810 0.958 0.964 0.821 CA 1.593 29 residues pruned to eliminate duplicates Q: 30 40.191 2.089 0.859 0.914 0.931 0.828 CB 1.460 30 residues pruned to eliminate duplicates R: 32 37.511 2.005 0.606 0.900 1.000 0.806 CB 1.495 32 residues pruned to eliminate duplicates S: 23 24.498 2.171 0.173 0.944 0.955 0.909 CB 1.489 23 residues pruned to eliminate duplicates T: 29 55.332 2.186 0.993 0.967 1.000 0.857 CA 1.637 30 residues pruned to eliminate duplicates U: 30 43.290 2.146 0.709 0.961 1.000 0.966 CA 1.500 30 residues pruned to eliminate duplicates V: 30 50.028 2.146 0.949 0.950 1.000 0.897 CA 1.533 29 residues pruned to eliminate duplicates W: 22 29.120 2.177 0.710 0.935 0.952 0.619 CB 1.249 22 residues pruned to eliminate duplicates X: 23 26.219 2.155 0.388 0.916 0.955 0.773 CB 1.382 24 residues pruned to eliminate duplicates Y: 31 42.415 2.054 0.782 0.945 1.000 0.800 CB 1.464 31 residues pruned to eliminate duplicates Z: 29 57.628 2.168 1.133 0.948 1.000 0.714 CB 1.626 29 residues pruned to eliminate duplicates Z: 30 50.769 2.154 0.943 0.953 1.000 0.931 CA 1.550 30 residues pruned to eliminate duplicates Z: 22 32.418 1.993 0.747 0.852 1.000 0.762 CB 1.503 Z: 42 45.168 1.943 0.880 0.895 0.976 0.683 CB 1.419 42 residues pruned to eliminate duplicates Z: 23 31.849 1.948 0.895 0.892 0.955 0.682 CB 1.384 23 residues pruned to eliminate duplicates Z: 38 47.111 1.991 1.035 0.913 0.946 0.757 CA 1.430 38 residues pruned to eliminate duplicates Z: 17 24.258 2.040 0.915 0.922 0.812 0.750 CB 1.343 Z: 28 34.016 1.960 0.712 0.910 1.000 0.778 CB 1.383 23 residues pruned to eliminate duplicates Z: 29 45.793 2.172 0.727 0.956 1.000 0.929 CA 1.585 29 residues pruned to eliminate duplicates Z: 57 51.085 2.068 0.891 0.758 0.946 0.786 CB 1.467 54 residues pruned to eliminate duplicates Z: 22 31.390 1.998 0.762 0.950 1.000 0.667 CB 1.342 22 residues pruned to eliminate duplicates Z: 29 21.302 1.729 0.391 0.843 0.929 0.893 CA 1.341 Z: 23 21.141 1.823 0.902 0.851 0.955 0.636 CB 1.008 24 residues pruned to eliminate duplicates Z: 17 32.239 2.171 0.799 0.886 1.000 0.562 CB 1.489 16 residues pruned to eliminate duplicates Z: 17 17.185 1.869 0.370 0.906 1.000 0.750 CA 1.194 Z: 29 37.457 1.948 0.781 0.938 1.000 0.964 CB 1.419 29 residues pruned to eliminate duplicates Z: 30 42.137 2.100 0.813 0.939 0.966 0.828 CB 1.480 30 residues pruned to eliminate duplicates Z: 31 41.113 2.116 0.651 0.938 1.000 0.800 CA 1.494 31 residues pruned to eliminate duplicates Z: 31 54.236 2.097 1.194 0.930 0.967 0.733 CA 1.557 31 residues pruned to eliminate duplicates Z: 6 5.297 1.987 0.488 0.505 0.600 0.400 CB 1.329 Z: 30 35.384 2.069 0.612 0.937 1.000 0.897 CA 1.370 30 residues pruned to eliminate duplicates Z: 6 7.279 1.988 0.497 0.470 1.000 0.800 CB 1.128 6 residues pruned to eliminate duplicates Z: 30 35.918 2.099 0.408 0.952 1.000 0.966 CB 1.554 30 residues pruned to eliminate duplicates Z: 34 31.209 2.046 0.483 0.934 0.970 0.697 CB 1.287 35 residues pruned to eliminate duplicates Z: 34 25.875 2.049 0.250 0.938 0.970 0.818 CB 1.261 34 residues pruned to eliminate duplicates Z: 27 37.034 2.030 0.867 0.934 1.000 0.654 CB 1.336 26 residues pruned to eliminate duplicates Z: 30 39.997 2.067 0.761 0.917 1.000 0.793 CB 1.440 30 residues pruned to eliminate duplicates Z: 30 38.138 2.095 0.618 0.953 0.966 0.828 CB 1.489 30 residues pruned to eliminate duplicates Z: 33 30.386 2.035 0.257 0.955 1.000 0.969 CB 1.443 34 residues pruned to eliminate duplicates Z: 36 30.730 1.769 0.664 0.917 0.971 0.600 CB 1.282 35 residues pruned to eliminate duplicates Z: 34 28.003 1.821 0.494 0.915 1.000 0.727 CB 1.267 34 residues pruned to eliminate duplicates Z: 32 33.910 1.985 0.600 0.920 1.000 0.774 CB 1.350 32 residues pruned to eliminate duplicates Z: 31 35.170 2.042 0.707 0.916 1.000 0.700 CB 1.302 31 residues pruned to eliminate duplicates Z: 17 20.168 1.938 0.363 0.955 1.000 1.000 CB 1.313 17 residues pruned to eliminate duplicates Z: 22 28.856 1.781 0.870 0.919 0.952 0.762 CB 1.399 Z: 30 35.800 1.935 0.844 0.876 1.000 0.621 CB 1.354 23 residues pruned to eliminate duplicates Z: 30 36.921 2.089 0.652 0.945 0.931 0.862 CB 1.476 30 residues pruned to eliminate duplicates Z: 24 20.563 2.159 -0.066 0.940 1.000 0.957 CB 1.477 24 residues pruned to eliminate duplicates Z: 22 17.607 1.717 0.562 0.895 0.905 0.762 CA 1.135 Z: 29 39.931 1.969 0.913 0.869 1.000 0.643 CB 1.463 30 residues pruned to eliminate duplicates Z: 24 24.071 2.146 0.107 0.948 1.000 0.870 CB 1.458 24 residues pruned to eliminate duplicates Z: 29 40.845 1.963 0.931 0.883 1.000 0.607 CB 1.472 29 residues pruned to eliminate duplicates Z: 36 27.596 1.949 0.239 0.907 0.943 0.800 CA 1.456 36 residues pruned to eliminate duplicates Z: 36 44.619 2.016 0.936 0.926 0.971 0.829 CA 1.395 36 residues pruned to eliminate duplicates Z: 37 31.066 1.783 0.628 0.916 0.944 0.722 CB 1.333 37 residues pruned to eliminate duplicates Z: 30 54.909 2.148 1.113 0.949 1.000 0.931 CA 1.550 30 residues pruned to eliminate duplicates Z: 40 38.295 1.914 0.741 0.902 1.000 0.744 CA 1.313 40 residues pruned to eliminate duplicates Z: 22 31.096 1.962 0.757 0.822 1.000 0.762 CA 1.489 22 residues pruned to eliminate duplicates Z: 24 22.340 1.794 0.665 0.893 0.913 0.652 CA 1.227 22 residues pruned to eliminate duplicates Z: 31 29.871 2.042 0.574 0.932 0.967 0.667 CB 1.226 31 residues pruned to eliminate duplicates Z: 29 51.276 2.155 1.073 0.953 1.000 0.679 CB 1.493 29 residues pruned to eliminate duplicates Z: 26 35.418 2.004 0.752 0.903 0.920 0.760 CB 1.564 26 residues pruned to eliminate duplicates Z: 31 40.800 2.040 0.925 0.918 0.933 0.733 CB 1.434 32 residues pruned to eliminate duplicates Z: 17 23.948 2.069 0.604 0.939 1.000 0.750 CB 1.254 17 residues pruned to eliminate duplicates Z: 27 27.052 1.818 0.477 0.935 1.000 0.923 CB 1.377 29 residues pruned to eliminate duplicates Z: 17 22.414 1.976 0.744 0.828 0.875 0.750 CB 1.399 17 residues pruned to eliminate duplicates Z: 30 46.082 2.133 0.927 0.934 0.966 0.828 CA 1.504 30 residues pruned to eliminate duplicates Z: 26 34.879 1.946 1.043 0.892 0.960 0.640 CB 1.313 26 residues pruned to eliminate duplicates Z: 29 29.796 1.955 0.498 0.896 0.964 0.750 CA 1.429 28 residues pruned to eliminate duplicates Z: 21 20.760 1.727 0.937 0.875 0.900 0.550 CB 1.121 21 residues pruned to eliminate duplicates Z: 23 27.615 2.034 0.688 0.937 1.000 0.727 CB 1.194 23 residues pruned to eliminate duplicates Z: 40 46.461 1.950 0.912 0.929 0.974 0.538 CB 1.433 40 residues pruned to eliminate duplicates Z: 18 26.937 1.996 0.788 0.838 0.941 0.824 CA 1.454 18 residues pruned to eliminate duplicates Z: 33 26.016 2.039 0.158 0.937 1.000 0.969 CB 1.355 33 residues pruned to eliminate duplicates Z: 22 30.699 1.975 0.845 0.859 1.000 0.667 CA 1.353 22 residues pruned to eliminate duplicates Z: 38 40.954 1.929 0.789 0.931 1.000 0.919 CA 1.363 38 residues pruned to eliminate duplicates Z: 23 26.377 1.767 0.818 0.937 0.955 0.636 CB 1.276 21 residues pruned to eliminate duplicates Z: 32 37.903 1.875 1.091 0.876 0.968 0.710 CB 1.304 31 residues pruned to eliminate duplicates Z: 23 25.011 1.942 0.729 0.851 0.955 0.864 CB 1.231 23 residues pruned to eliminate duplicates Z: 24 26.543 1.740 0.814 0.908 1.000 0.826 CB 1.246 24 residues pruned to eliminate duplicates Z: 9 12.409 2.055 0.649 0.920 0.875 0.750 CB 1.042 9 residues pruned to eliminate duplicates Z: 35 29.872 1.798 0.733 0.913 0.941 0.735 CB 1.237 35 residues pruned to eliminate duplicates Z: 30 52.009 2.145 0.998 0.949 1.000 0.759 CA 1.556 30 residues pruned to eliminate duplicates Z: 9 13.304 1.697 0.721 0.853 1.000 0.375 CA 1.190 8 residues pruned to eliminate duplicates Z: 31 34.223 2.061 0.481 0.928 1.000 0.800 CB 1.433 31 residues pruned to eliminate duplicates Z: 28 28.121 1.819 0.495 0.925 1.000 0.926 CB 1.396 28 residues pruned to eliminate duplicates Z: 31 45.673 2.074 0.941 0.943 1.000 0.700 CB 1.436 31 residues pruned to eliminate duplicates Z: 36 32.111 1.819 0.642 0.915 0.971 0.800 CB 1.322 35 residues pruned to eliminate duplicates Z: 30 48.385 2.141 0.854 0.928 1.000 0.828 CA 1.584 30 residues pruned to eliminate duplicates Z: 39 42.330 1.873 0.859 0.901 1.000 0.842 CA 1.408 39 residues pruned to eliminate duplicates Z: 29 29.632 1.932 0.532 0.935 1.000 0.821 CB 1.319 29 residues pruned to eliminate duplicates Z: 30 41.273 2.132 0.654 0.913 0.966 0.931 CA 1.593 30 residues pruned to eliminate duplicates Z: 23 19.399 1.770 0.492 0.914 0.909 0.818 CA 1.219 Z: 26 29.930 1.807 0.762 0.940 1.000 0.680 CB 1.306 28 residues pruned to eliminate duplicates Z: 22 25.206 1.752 0.690 0.888 1.000 0.810 CB 1.339 Z: 35 39.122 2.034 0.845 0.941 1.000 0.588 CB 1.241 34 residues pruned to eliminate duplicates Z: 21 19.942 1.733 0.596 0.912 0.950 0.650 CB 1.202 19 residues pruned to eliminate duplicates Z: 15 24.558 1.817 0.939 0.936 1.000 0.571 CB 1.297 15 residues pruned to eliminate duplicates Z: 21 23.423 1.808 0.885 0.894 0.900 0.550 CB 1.224 21 residues pruned to eliminate duplicates Z: 30 39.592 1.895 1.088 0.907 1.000 0.690 CB 1.321 30 residues pruned to eliminate duplicates Z: 26 37.442 1.951 0.924 0.895 0.960 0.640 CB 1.490 26 residues pruned to eliminate duplicates Z: 29 54.478 2.172 1.038 0.963 1.000 0.786 CB 1.590 29 residues pruned to eliminate duplicates Z: 31 42.740 2.054 0.801 0.943 1.000 0.800 CB 1.462 31 residues pruned to eliminate duplicates Z: 29 48.532 2.157 0.852 0.961 1.000 0.893 CA 1.572 29 residues pruned to eliminate duplicates Z: 60 56.986 1.929 0.938 0.925 1.000 0.729 CA 1.393 62 residues pruned to eliminate duplicates Z: 38 35.278 2.022 0.708 0.760 0.919 0.730 CB 1.449 39 residues pruned to eliminate duplicates Z: 24 43.175 2.029 1.173 0.931 1.000 0.522 CB 1.427 24 residues pruned to eliminate duplicates Z: 38 44.997 2.017 0.827 0.932 1.000 0.892 CA 1.402 38 residues pruned to eliminate duplicates Z: 33 34.276 2.056 0.724 0.936 1.000 0.719 CB 1.191 33 residues pruned to eliminate duplicates Z: 18 28.176 1.979 0.802 0.805 1.000 0.706 CA 1.468 18 residues pruned to eliminate duplicates Z: 22 24.521 1.909 0.710 0.916 1.000 0.857 CB 1.158 Z: 23 29.341 1.952 0.595 0.932 1.000 0.909 CB 1.403 23 residues pruned to eliminate duplicates Z: 38 40.736 1.964 0.821 0.920 1.000 0.811 CA 1.319 38 residues pruned to eliminate duplicates Z: 29 39.777 1.939 0.853 0.881 1.000 0.607 CA 1.515 29 residues pruned to eliminate duplicates Z: 19 19.913 2.106 0.078 0.947 1.000 0.889 CA 1.429 19 residues pruned to eliminate duplicates Z: 30 26.463 2.091 0.368 0.805 0.966 0.828 CB 1.364 30 residues pruned to eliminate duplicates Z: 27 26.177 1.716 0.713 0.914 0.962 0.846 CB 1.284 23 residues pruned to eliminate duplicates Z: 37 32.561 1.866 0.703 0.943 0.917 0.667 CA 1.292 37 residues pruned to eliminate duplicates Z: 21 26.689 1.832 0.634 0.955 1.000 0.800 CA 1.370 21 residues pruned to eliminate duplicates Z: 24 19.241 1.808 0.530 0.900 0.913 0.870 CA 1.135 24 residues pruned to eliminate duplicates Z: 25 25.491 1.786 0.819 0.907 0.917 0.708 CA 1.242 25 residues pruned to eliminate duplicates Z: 20 22.094 1.789 0.814 0.893 0.947 0.737 CB 1.184 20 residues pruned to eliminate duplicates Z: 26 28.201 1.781 0.686 0.933 1.000 0.920 CB 1.311 22 residues pruned to eliminate duplicates Z: 49 51.553 2.045 0.912 0.845 0.938 0.792 CB 1.509 49 residues pruned to eliminate duplicates Z: 24 20.587 1.636 0.565 0.867 0.957 0.739 CB 1.282 Z: 31 40.724 2.078 0.726 0.924 1.000 0.767 CB 1.456 36 residues pruned to eliminate duplicates Z: 20 20.087 1.676 0.598 0.859 1.000 0.684 CB 1.266 22 residues pruned to eliminate duplicates Z: 20 29.283 1.944 0.670 0.877 1.000 0.842 CA 1.503 20 residues pruned to eliminate duplicates Z: 21 23.523 1.901 0.473 0.914 1.000 0.900 CA 1.329 22 residues pruned to eliminate duplicates Z: 26 28.413 1.755 0.784 0.943 0.960 0.800 CB 1.310 26 residues pruned to eliminate duplicates Z: 26 28.537 1.792 0.612 0.907 1.000 0.840 CB 1.404 26 residues pruned to eliminate duplicates Z: 18 15.784 1.630 0.467 0.870 1.000 0.824 CB 1.169 18 residues pruned to eliminate duplicates Z: 20 26.571 1.833 0.933 0.892 1.000 0.474 CB 1.236 20 residues pruned to eliminate duplicates Z: 37 49.837 2.003 1.043 0.942 1.000 0.750 CA 1.408 38 residues pruned to eliminate duplicates Z: 26 25.167 1.754 0.641 0.929 1.000 0.800 CA 1.224 26 residues pruned to eliminate duplicates Z: 20 25.989 1.883 0.466 0.904 1.000 0.947 CB 1.538 20 residues pruned to eliminate duplicates Z: 18 32.909 1.895 0.847 0.938 1.000 0.588 CA 1.586 18 residues pruned to eliminate duplicates Z: 30 49.509 2.144 0.910 0.952 1.000 0.931 CA 1.546 30 residues pruned to eliminate duplicates Z: 26 41.032 2.029 1.146 0.927 1.000 0.680 CB 1.321 26 residues pruned to eliminate duplicates Z: 26 25.259 1.773 0.539 0.912 1.000 0.880 CB 1.311 26 residues pruned to eliminate duplicates Z: 29 54.255 2.188 0.958 0.955 1.000 0.750 CA 1.644 29 residues pruned to eliminate duplicates Z: 29 38.505 1.987 0.722 0.910 1.000 0.857 CB 1.508 29 residues pruned to eliminate duplicates Z: 26 26.833 1.735 0.949 0.866 1.000 0.640 CB 1.161 23 residues pruned to eliminate duplicates Z: 25 25.525 1.785 0.668 0.922 0.958 0.917 CA 1.284 23 residues pruned to eliminate duplicates Z: 31 38.516 2.011 0.909 0.903 0.967 0.700 CB 1.351 31 residues pruned to eliminate duplicates Z: 17 17.801 1.927 0.247 0.934 1.000 1.000 CB 1.292 17 residues pruned to eliminate duplicates Z: 37 27.693 1.767 0.664 0.875 1.000 0.694 CB 1.141 37 residues pruned to eliminate duplicates Z: 37 37.624 1.990 0.704 0.917 0.972 0.694 CA 1.342 37 residues pruned to eliminate duplicates Z: 37 31.453 1.773 0.664 0.909 1.000 0.583 CB 1.261 37 residues pruned to eliminate duplicates Z: 30 21.944 1.593 0.505 0.894 0.966 0.828 CB 1.263 Z: 18 24.506 1.971 0.577 0.840 1.000 0.824 CA 1.426 18 residues pruned to eliminate duplicates Z: 27 27.040 1.964 0.734 0.901 0.923 0.731 CB 1.204 27 residues pruned to eliminate duplicates Z: 24 20.838 1.778 0.506 0.899 1.000 0.696 CB 1.159 24 residues pruned to eliminate duplicates Z: 20 24.921 2.022 0.486 0.913 1.000 0.842 CA 1.346 20 residues pruned to eliminate duplicates Z: 7 3.943 1.573 0.058 0.553 0.833 0.500 CB 1.103 Z: 22 31.359 1.886 1.096 0.803 0.905 0.714 CB 1.468 22 residues pruned to eliminate duplicates Z: 19 25.983 1.961 0.875 0.882 0.833 0.611 CB 1.447 19 residues pruned to eliminate duplicates Z: 33 26.837 1.999 0.203 0.949 1.000 0.969 CB 1.361 33 residues pruned to eliminate duplicates Z: 19 24.359 1.874 0.725 0.896 0.944 0.667 CA 1.347 19 residues pruned to eliminate duplicates Z: 27 26.678 1.742 0.712 0.924 0.923 0.846 CA 1.335 27 residues pruned to eliminate duplicates Z: 29 30.662 1.932 0.641 0.868 0.964 0.714 CA 1.385 29 residues pruned to eliminate duplicates Z: 25 29.333 1.804 0.706 0.928 1.000 0.875 CB 1.363 26 residues pruned to eliminate duplicates Z: 26 26.490 1.745 0.630 0.913 1.000 0.720 CA 1.318 26 residues pruned to eliminate duplicates Z: 29 43.560 1.944 1.038 0.899 1.000 0.679 CB 1.485 29 residues pruned to eliminate duplicates Z: 26 26.812 1.758 0.721 0.912 0.960 0.760 CB 1.308 26 residues pruned to eliminate duplicates Z: 26 28.132 1.776 0.601 0.935 1.000 0.880 CB 1.379 26 residues pruned to eliminate duplicates Z: 39 45.997 1.962 0.905 0.936 1.000 0.842 CA 1.390 39 residues pruned to eliminate duplicates Z: 10 8.390 1.466 0.269 0.886 1.000 0.778 CB 1.085 Z: 26 27.190 1.744 0.688 0.926 1.000 0.800 CB 1.294 26 residues pruned to eliminate duplicates Z: 37 39.055 1.999 0.823 0.929 0.972 0.889 CA 1.286 37 residues pruned to eliminate duplicates Z: 22 13.473 1.591 0.529 0.887 1.000 0.476 CB 0.871 22 residues pruned to eliminate duplicates Z: 22 23.317 1.889 0.535 0.849 0.952 0.762 CA 1.366 21 residues pruned to eliminate duplicates Z: 31 23.514 1.788 0.651 0.898 0.967 0.633 CB 1.076 31 residues pruned to eliminate duplicates Z: 7 5.449 1.836 0.301 0.635 0.833 0.833 CB 0.985 Z: 25 24.479 1.760 0.880 0.799 0.875 0.667 CB 1.328 26 residues pruned to eliminate duplicates Z: 20 20.922 1.928 0.560 0.907 0.895 0.737 CB 1.268 20 residues pruned to eliminate duplicates Z: 22 18.052 1.628 0.815 0.893 0.857 0.667 CB 1.117 22 residues pruned to eliminate duplicates Z: 26 22.235 1.711 0.697 0.875 0.960 0.880 CB 1.160 26 residues pruned to eliminate duplicates Z: 10 5.405 1.477 0.128 0.842 0.889 0.778 CB 0.906 Z: 54 44.838 1.971 0.838 0.852 0.925 0.774 CB 1.359 52 residues pruned to eliminate duplicates Z: 22 18.588 1.636 0.518 0.875 0.952 0.810 CB 1.247 22 residues pruned to eliminate duplicates Z: 20 20.191 1.727 0.963 0.924 0.895 0.526 CB 1.073 20 residues pruned to eliminate duplicates Z: 23 21.462 1.841 0.722 0.910 0.955 0.500 CB 1.072 23 residues pruned to eliminate duplicates Z: 30 36.485 1.914 1.052 0.864 0.966 0.552 CB 1.309 30 residues pruned to eliminate duplicates Z: 37 41.551 1.974 0.861 0.917 1.000 0.778 CA 1.331 37 residues pruned to eliminate duplicates Z: 38 44.717 1.994 0.915 0.919 1.000 0.811 CA 1.356 38 residues pruned to eliminate duplicates Z: 26 25.095 1.774 0.506 0.922 1.000 0.880 CB 1.321 26 residues pruned to eliminate duplicates Z: 21 23.447 1.792 0.587 0.898 1.000 0.750 CA 1.318 21 residues pruned to eliminate duplicates Z: 23 26.375 1.812 0.667 0.941 1.000 0.864 CB 1.292 23 residues pruned to eliminate duplicates Z: 31 32.863 2.026 0.534 0.917 0.933 0.833 CB 1.460 31 residues pruned to eliminate duplicates Z: 33 33.573 2.057 0.605 0.945 0.969 0.750 CB 1.284 33 residues pruned to eliminate duplicates Z: 6 2.060 1.810 0.015 0.663 0.800 0.800 CB 0.539 6 residues pruned to eliminate duplicates Z: 23 25.825 1.770 0.574 0.930 1.000 0.818 CA 1.381 23 residues pruned to eliminate duplicates Z: 14 23.883 1.994 1.324 0.814 0.846 0.769 CB 1.286 14 residues pruned to eliminate duplicates Z: 20 27.529 1.847 0.973 0.916 0.947 0.579 CB 1.292 20 residues pruned to eliminate duplicates Z: 21 24.770 1.770 0.773 0.846 0.950 0.750 CB 1.381 21 residues pruned to eliminate duplicates Z: 25 26.434 1.766 1.045 0.899 0.958 0.417 CB 1.114 25 residues pruned to eliminate duplicates Z: 17 13.575 1.602 0.651 0.897 0.938 0.812 CB 0.980 17 residues pruned to eliminate duplicates Z: 24 22.364 1.731 0.681 0.923 0.913 0.783 CB 1.233 24 residues pruned to eliminate duplicates Z: 12 6.654 1.724 0.450 0.309 0.818 0.545 CA 1.213 Z: 30 43.935 2.136 0.782 0.946 1.000 1.000 CA 1.482 30 residues pruned to eliminate duplicates Z: 29 36.004 1.937 0.935 0.907 1.000 0.679 CB 1.291 29 residues pruned to eliminate duplicates Z: 36 23.743 1.666 0.736 0.905 0.914 0.571 CB 1.081 34 residues pruned to eliminate duplicates Z: 37 30.375 1.769 0.563 0.888 1.000 0.833 CB 1.319 37 residues pruned to eliminate duplicates Z: 20 22.553 1.777 0.465 0.924 1.000 0.842 CA 1.395 20 residues pruned to eliminate duplicates Z: 26 25.196 1.740 0.689 0.902 0.960 0.760 CB 1.273 26 residues pruned to eliminate duplicates Z: 24 27.252 1.807 0.862 0.901 1.000 0.783 CB 1.205 21 residues pruned to eliminate duplicates Z: 30 30.017 1.910 0.596 0.867 1.000 0.828 CA 1.338 30 residues pruned to eliminate duplicates Z: 30 39.330 2.114 0.604 0.952 0.966 0.862 CB 1.537 30 residues pruned to eliminate duplicates Z: 22 27.343 1.876 0.765 0.930 1.000 0.714 CB 1.260 22 residues pruned to eliminate duplicates Z: 9 3.018 1.544 0.848 0.306 0.625 0.250 CB 0.742 Z: 63 48.402 1.893 0.800 0.930 0.984 0.790 CA 1.282 63 residues pruned to eliminate duplicates Z: 27 27.259 1.770 0.720 0.917 1.000 0.846 CB 1.239 27 residues pruned to eliminate duplicates Z: 18 19.565 1.622 0.891 0.904 0.941 0.706 CB 1.171 18 residues pruned to eliminate duplicates Z: 36 23.942 1.696 0.445 0.898 0.943 0.800 CB 1.253 36 residues pruned to eliminate duplicates Z: 14 11.676 1.538 0.521 0.778 1.000 0.385 CB 1.083 14 residues pruned to eliminate duplicates Z: 26 32.735 1.778 0.882 0.929 1.000 0.840 CB 1.370 25 residues pruned to eliminate duplicates Z: 26 20.960 1.753 0.519 0.918 0.920 0.800 CA 1.207 26 residues pruned to eliminate duplicates Z: 22 31.259 1.932 1.049 0.855 0.952 0.762 CB 1.335 22 residues pruned to eliminate duplicates Z: 35 42.692 1.959 1.032 0.951 0.971 0.647 CB 1.306 35 residues pruned to eliminate duplicates Z: 16 13.706 1.692 0.942 0.895 0.933 0.400 CB 0.827 16 residues pruned to eliminate duplicates Z: 35 27.253 1.779 0.638 0.894 0.971 0.794 CB 1.185 35 residues pruned to eliminate duplicates Z: 17 23.795 1.912 0.722 0.947 1.000 0.750 CB 1.249 17 residues pruned to eliminate duplicates Z: 38 39.003 1.962 0.800 0.912 0.973 0.676 CA 1.322 38 residues pruned to eliminate duplicates Z: 30 44.249 2.138 0.767 0.937 1.000 1.000 CA 1.513 30 residues pruned to eliminate duplicates Z: 13 14.526 1.693 0.367 0.889 0.917 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 31 33.582 1.991 0.708 0.936 0.933 0.633 CB 1.345 31 residues pruned to eliminate duplicates Z: 21 21.178 1.825 0.546 0.899 0.900 0.800 CB 1.333 21 residues pruned to eliminate duplicates Z: 26 25.190 1.727 0.709 0.916 0.960 0.680 CB 1.256 26 residues pruned to eliminate duplicates Z: 23 22.620 1.817 0.674 0.879 0.909 0.682 CA 1.265 24 residues pruned to eliminate duplicates Z: 45 50.422 2.068 0.915 0.781 0.977 0.841 CA 1.533 46 residues pruned to eliminate duplicates Z: 26 22.983 1.694 0.593 0.933 0.960 0.720 CB 1.238 26 residues pruned to eliminate duplicates Z: 15 14.222 1.590 0.694 0.846 0.857 0.643 CB 1.222 15 residues pruned to eliminate duplicates Z: 21 21.598 1.923 0.741 0.828 0.900 0.700 CB 1.207 21 residues pruned to eliminate duplicates Z: 19 22.353 1.959 0.467 0.938 1.000 1.000 CB 1.275 19 residues pruned to eliminate duplicates Z: 11 7.884 1.949 -0.205 0.920 1.000 1.000 CB 1.133 11 residues pruned to eliminate duplicates Z: 32 33.298 1.989 0.761 0.796 0.968 0.645 CB 1.361 32 residues pruned to eliminate duplicates Z: 38 34.374 1.946 0.659 0.896 1.000 0.811 CA 1.254 38 residues pruned to eliminate duplicates Z: 36 33.330 1.917 0.556 0.951 0.971 0.829 CA 1.339 36 residues pruned to eliminate duplicates Z: 21 18.441 1.689 0.740 0.914 0.900 0.650 CB 1.102 21 residues pruned to eliminate duplicates Z: 23 22.574 1.783 0.516 0.917 1.000 0.955 CA 1.256 23 residues pruned to eliminate duplicates Z: 29 40.506 1.981 1.042 0.924 1.000 0.750 CB 1.329 29 residues pruned to eliminate duplicates Z: 30 29.142 1.838 0.660 0.910 0.966 0.759 CB 1.303 30 residues pruned to eliminate duplicates Z: 38 35.333 1.969 0.631 0.912 0.973 0.865 CA 1.316 38 residues pruned to eliminate duplicates Z: 29 39.744 1.933 0.985 0.901 0.964 0.607 CB 1.450 29 residues pruned to eliminate duplicates Z: 22 15.760 1.618 0.345 0.875 0.952 0.667 CB 1.206 22 residues pruned to eliminate duplicates Z: 10 8.187 1.421 0.304 0.886 1.000 0.778 CB 1.062 Z: 30 50.830 2.117 1.025 0.943 0.966 0.793 CA 1.579 30 residues pruned to eliminate duplicates Z: 7 2.716 1.417 0.341 0.239 0.667 0.333 N 1.185 Z: 24 22.408 1.744 0.582 0.887 0.957 0.783 CA 1.276 24 residues pruned to eliminate duplicates Z: 30 21.043 1.640 0.536 0.889 0.966 0.655 CB 1.157 30 residues pruned to eliminate duplicates Z: 6 3.280 1.723 0.344 0.412 0.800 0.400 CB 0.868 Z: 18 26.223 1.845 1.066 0.955 1.000 0.706 CB 1.147 17 residues pruned to eliminate duplicates Z: 15 11.102 1.697 0.674 0.868 0.714 0.429 CB 1.069 15 residues pruned to eliminate duplicates Z: 28 27.171 1.700 0.736 0.939 1.000 0.815 CA 1.231 27 residues pruned to eliminate duplicates Z: 17 25.778 1.878 1.141 0.933 1.000 0.500 CB 1.118 17 residues pruned to eliminate duplicates Z: 38 42.208 1.966 0.802 0.912 1.000 0.757 CA 1.387 38 residues pruned to eliminate duplicates Z: 26 27.764 1.767 0.581 0.937 1.000 0.920 CB 1.383 26 residues pruned to eliminate duplicates Z: 24 29.043 1.932 0.639 0.890 1.000 0.957 CA 1.376 24 residues pruned to eliminate duplicates Z: 10 6.788 1.587 0.652 0.840 1.000 0.444 CB 0.644 10 residues pruned to eliminate duplicates Z: 23 19.874 1.787 0.400 0.912 0.955 0.955 CA 1.258 23 residues pruned to eliminate duplicates Z: 27 17.559 1.715 0.360 0.908 0.962 0.923 CA 1.091 27 residues pruned to eliminate duplicates Z: 33 38.705 1.943 0.859 0.933 1.000 0.719 CA 1.322 33 residues pruned to eliminate duplicates Z: 14 21.378 1.785 0.877 0.809 1.000 0.769 CB 1.352 14 residues pruned to eliminate duplicates Z: 30 39.887 2.078 0.971 0.821 0.897 0.586 CB 1.527 30 residues pruned to eliminate duplicates Z: 24 20.648 1.646 0.665 0.920 1.000 0.783 CB 1.106 24 residues pruned to eliminate duplicates Z: 19 24.909 1.915 0.440 0.934 1.000 0.944 CB 1.484 19 residues pruned to eliminate duplicates Z: 31 30.740 1.868 0.688 0.884 0.967 0.700 CB 1.331 31 residues pruned to eliminate duplicates Z: 9 9.573 1.448 0.588 0.866 1.000 0.625 CB 1.078 Z: 29 29.971 1.949 0.707 0.916 0.929 0.714 CB 1.295 29 residues pruned to eliminate duplicates Z: 26 29.848 1.799 0.624 0.908 1.000 0.840 CA 1.452 26 residues pruned to eliminate duplicates Z: 6 3.078 1.285 0.856 0.808 1.000 0.800 C 0.441 Z: 37 43.859 2.016 0.799 0.931 1.000 0.917 CA 1.409 37 residues pruned to eliminate duplicates Z: 20 25.809 1.794 0.821 0.926 0.947 0.579 CB 1.341 20 residues pruned to eliminate duplicates Z: 7 6.195 1.347 0.571 0.676 1.000 0.667 CB 1.016 7 residues pruned to eliminate duplicates Z: 17 15.346 1.634 0.554 0.900 0.938 0.750 CB 1.151 17 residues pruned to eliminate duplicates Z: 28 27.512 1.674 0.606 0.917 1.000 0.704 CA 1.390 28 residues pruned to eliminate duplicates Z: 26 20.609 1.751 0.727 0.793 0.880 0.480 CB 1.198 26 residues pruned to eliminate duplicates Z: 26 24.422 1.752 0.569 0.943 1.000 0.960 CA 1.232 26 residues pruned to eliminate duplicates Z: 31 36.091 2.036 0.636 0.941 0.967 0.767 CB 1.420 31 residues pruned to eliminate duplicates Z: 28 19.892 1.619 0.368 0.890 0.963 0.741 CB 1.292 28 residues pruned to eliminate duplicates Z: 23 18.300 1.640 0.415 0.898 1.000 0.864 CB 1.202 22 residues pruned to eliminate duplicates Z: 37 27.922 1.777 0.445 0.913 0.972 0.806 CB 1.320 37 residues pruned to eliminate duplicates Z: 24 19.550 1.618 0.679 0.907 1.000 0.522 CB 1.066 24 residues pruned to eliminate duplicates Z: 8 4.136 1.544 0.097 0.290 0.857 0.429 CB 1.362 8 residues pruned to eliminate duplicates Z: 22 28.831 2.065 0.697 0.778 1.000 0.857 CA 1.406 22 residues pruned to eliminate duplicates Z: 26 28.279 1.781 0.744 0.940 1.000 0.760 CB 1.264 26 residues pruned to eliminate duplicates Z: 30 25.976 1.985 0.343 0.940 0.966 0.897 CA 1.301 30 residues pruned to eliminate duplicates Z: 20 17.037 1.595 0.395 0.871 1.000 0.737 CB 1.281 20 residues pruned to eliminate duplicates Z: 35 38.215 2.110 0.706 0.854 0.941 0.794 CB 1.428 35 residues pruned to eliminate duplicates Z: 25 22.573 1.816 1.007 0.670 0.833 0.542 CB 1.296 25 residues pruned to eliminate duplicates Z: 26 26.323 1.751 0.524 0.913 1.000 0.840 CA 1.396 26 residues pruned to eliminate duplicates Z: 33 32.692 1.880 1.091 0.959 1.000 0.562 CB 1.007 33 residues pruned to eliminate duplicates Z: 18 25.770 2.030 0.495 0.895 1.000 0.824 CB 1.476 18 residues pruned to eliminate duplicates Z: 55 48.629 2.017 0.885 0.824 0.944 0.685 CB 1.393 55 residues pruned to eliminate duplicates Z: 38 43.917 1.992 0.879 0.919 0.973 0.784 CA 1.396 38 residues pruned to eliminate duplicates Z: 23 17.799 1.589 0.322 0.908 1.000 0.773 CB 1.283 23 residues pruned to eliminate duplicates Z: 29 39.628 2.074 0.909 0.849 0.964 0.786 CB 1.454 29 residues pruned to eliminate duplicates Z: 31 29.147 2.045 0.396 0.937 0.967 0.967 CA 1.342 31 residues pruned to eliminate duplicates Z: 9 15.142 1.544 0.893 0.899 1.000 0.875 N 1.309 9 residues pruned to eliminate duplicates Z: 39 38.061 1.940 0.738 0.909 0.974 0.895 CA 1.335 39 residues pruned to eliminate duplicates Z: 14 13.483 1.616 0.384 0.900 1.000 0.846 CA 1.194 14 residues pruned to eliminate duplicates Z: 18 24.722 1.859 0.758 0.945 1.000 0.706 CB 1.270 18 residues pruned to eliminate duplicates Z: 8 7.967 1.636 0.386 0.847 0.857 0.571 CA 1.150 8 residues pruned to eliminate duplicates 6 1.855 1.585 0.314 0.817 1.000 0.600 CB 0.303 ? Z: 6 2.156 1.608 0.140 0.696 0.800 0.400 CB 0.550 Z: 6 2.712 1.379 0.756 0.657 0.800 0.600 CB 0.541 Z: 11 11.112 1.464 0.558 0.867 0.900 0.700 CA 1.252 10 residues pruned to eliminate duplicates Z: 7 3.758 1.440 0.419 0.495 0.833 0.667 CB 0.905 Z: 12 13.205 1.835 0.318 0.922 1.000 1.000 CA 1.158 12 residues pruned to eliminate duplicates Z: 14 11.302 1.371 0.515 0.891 1.000 1.000 CA 1.086 10 residues pruned to eliminate duplicates Z: 25 25.142 1.896 0.945 0.946 0.917 0.500 CB 1.050 25 residues pruned to eliminate duplicates Z: 7 10.350 1.519 0.903 0.859 1.000 0.833 CB 1.076 7 residues pruned to eliminate duplicates Z: 12 9.592 1.430 0.275 0.900 0.909 0.727 N 1.246 9 residues pruned to eliminate duplicates Z: 25 26.385 1.749 0.856 0.908 0.958 0.792 CB 1.229 24 residues pruned to eliminate duplicates Z: 22 23.013 1.773 0.652 0.914 0.952 0.857 CA 1.273 22 residues pruned to eliminate duplicates Z: 35 38.383 2.018 0.902 0.953 1.000 0.559 CB 1.181 35 residues pruned to eliminate duplicates Z: 25 24.484 1.751 0.836 0.890 1.000 0.625 CB 1.118 25 residues pruned to eliminate duplicates Z: 6 3.701 1.509 0.218 0.479 1.000 0.400 CB 0.921 Z: 11 4.437 1.527 0.680 0.242 0.700 0.500 C 1.052 Z: 26 21.989 1.908 0.553 0.723 0.920 0.880 CA 1.319 26 residues pruned to eliminate duplicates Z: 24 23.076 1.808 0.665 0.918 0.957 0.783 CB 1.179 24 residues pruned to eliminate duplicates Z: 9 10.555 1.556 0.389 0.798 1.000 0.875 CA 1.330 9 residues pruned to eliminate duplicates Z: 18 16.978 1.604 0.570 0.889 0.941 0.706 CB 1.251 18 residues pruned to eliminate duplicates Z: 8 8.786 1.577 0.337 0.878 1.000 0.857 CB 1.143 8 residues pruned to eliminate duplicates Z: 16 14.481 1.494 0.474 0.872 1.000 0.800 CB 1.237 16 residues pruned to eliminate duplicates Z: 14 5.141 1.634 0.344 0.375 0.769 0.308 CB 0.964 9 residues pruned to eliminate duplicates Z: 10 8.344 1.419 0.305 0.904 0.889 0.778 O 1.203 10 residues pruned to eliminate duplicates Z: 34 36.381 2.064 0.911 0.935 0.879 0.697 CB 1.273 34 residues pruned to eliminate duplicates Z: 26 19.457 1.727 0.443 0.931 0.960 0.800 CA 1.137 26 residues pruned to eliminate duplicates Z: 38 43.417 1.979 0.825 0.920 1.000 0.811 CA 1.392 38 residues pruned to eliminate duplicates Z: 17 13.626 1.656 0.501 0.866 0.938 0.500 CB 1.071 17 residues pruned to eliminate duplicates Z: 9 7.465 1.508 0.675 0.799 0.750 0.375 CB 1.072 Z: 27 22.588 1.904 0.727 0.755 0.923 0.654 CB 1.163 27 residues pruned to eliminate duplicates Z: 20 17.727 1.579 0.886 0.891 0.895 0.737 CB 1.097 20 residues pruned to eliminate duplicates Z: 23 21.937 1.847 0.705 0.807 0.909 0.727 CB 1.250 23 residues pruned to eliminate duplicates Z: 8 5.318 1.364 0.426 0.857 1.000 0.429 CB 0.762 Z: 9 4.969 1.774 0.706 0.558 0.875 0.625 CB 0.627 Z: 18 28.618 1.907 0.690 0.928 1.000 0.824 CA 1.508 18 residues pruned to eliminate duplicates Z: 21 23.295 1.975 0.670 0.729 0.900 0.900 CA 1.428 21 residues pruned to eliminate duplicates Z: 21 18.680 1.908 0.646 0.545 0.850 0.600 CB 1.497 21 residues pruned to eliminate duplicates Z: 15 9.176 1.826 0.859 0.451 0.786 0.500 CB 0.967 15 residues pruned to eliminate duplicates Z: 7 3.839 1.492 0.304 0.575 0.833 0.833 CB 0.899 7 residues pruned to eliminate duplicates Z: 37 29.822 1.783 0.539 0.905 0.972 0.917 CB 1.326 37 residues pruned to eliminate duplicates Z: 6 7.900 1.354 0.766 0.809 1.000 0.800 N 1.129 7 residues pruned to eliminate duplicates Z: 12 6.390 1.495 0.698 0.513 0.818 0.545 CB 0.917 12 residues pruned to eliminate duplicates Z: 19 16.368 1.710 0.460 0.892 0.889 0.833 CB 1.249 19 residues pruned to eliminate duplicates 10 1.963 1.256 0.119 0.385 0.667 0.556 N 0.789 ? Z: 25 24.666 1.747 0.846 0.870 0.958 0.833 CB 1.189 24 residues pruned to eliminate duplicates Z: 6 4.943 1.357 0.227 0.772 1.000 1.000 CA 1.044 Z: 9 3.168 1.349 0.371 0.275 0.875 0.250 N 0.892 8 1.746 1.379 0.170 0.359 0.714 0.429 CB 0.667 ? Z: 13 3.553 1.604 0.272 0.333 0.583 0.250 CB 1.034 Z: 40 35.693 1.970 0.880 0.763 0.897 0.590 CB 1.362 40 residues pruned to eliminate duplicates Z: 12 5.226 1.525 0.457 0.489 0.727 0.455 CB 0.986 12 residues pruned to eliminate duplicates Z: 24 23.215 1.798 0.723 0.911 1.000 0.739 CB 1.107 24 residues pruned to eliminate duplicates Z: 6 2.307 1.430 0.518 0.279 0.600 0.400 N 1.017 6 residues pruned to eliminate duplicates Z: 24 27.840 1.807 0.597 0.910 1.000 0.913 CA 1.427 24 residues pruned to eliminate duplicates Z: 25 26.247 1.743 0.912 0.859 0.958 0.625 CA 1.235 25 residues pruned to eliminate duplicates Z: 8 4.165 1.415 0.393 0.421 0.857 0.286 CB 1.012 Z: 38 46.033 1.957 0.932 0.926 1.000 0.892 CA 1.403 38 residues pruned to eliminate duplicates Z: 9 11.899 1.923 0.415 0.728 1.000 1.000 CB 1.259 9 residues pruned to eliminate duplicates Z: 7 4.210 1.508 0.497 0.429 0.833 0.667 O 0.983 Z: 10 8.205 1.893 0.573 0.463 0.778 0.667 CB 1.226 10 residues pruned to eliminate duplicates Z: 9 2.219 1.307 0.187 0.259 0.750 0.500 CB 0.889 6 1.546 1.288 0.406 0.298 0.600 0.400 O 0.797 ? Z: 57 42.193 1.961 0.636 0.855 1.000 0.821 CB 1.296 57 residues pruned to eliminate duplicates Z: 18 15.383 1.640 0.302 0.936 1.000 0.824 CA 1.216 18 residues pruned to eliminate duplicates Z: 7 7.129 1.560 0.616 0.713 0.833 0.833 CB 1.142 7 residues pruned to eliminate duplicates Z: 53 28.923 1.895 0.517 0.769 0.885 0.577 CB 1.243 53 residues pruned to eliminate duplicates Z: 25 19.189 1.719 0.297 0.891 1.000 0.875 CB 1.263 25 residues pruned to eliminate duplicates Z: 38 25.343 1.726 0.555 0.853 0.919 0.676 CB 1.249 38 residues pruned to eliminate duplicates 7 1.674 1.202 0.233 0.251 0.833 0.833 N 0.737 ? Z: 34 38.237 1.931 1.124 0.944 1.000 0.515 CB 1.124 34 residues pruned to eliminate duplicates Z: 6 6.930 1.755 0.348 0.736 0.800 0.600 N 1.325 6 residues pruned to eliminate duplicates Z: 26 25.869 1.959 0.581 0.753 0.960 0.800 CA 1.388 26 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 3.712 1.546 0.269 0.229 0.667 0.250 N 1.124 Z: 7 10.568 1.583 0.513 0.852 1.000 0.500 CB 1.332 7 residues pruned to eliminate duplicates Z: 8 5.936 1.427 0.724 0.631 0.857 0.857 CB 0.940 9 residues pruned to eliminate duplicates Z: 10 12.825 1.527 0.767 0.866 0.889 0.667 CB 1.305 10 residues pruned to eliminate duplicates Z: 10 13.525 1.534 0.601 0.882 1.000 0.889 CB 1.329 10 residues pruned to eliminate duplicates Z: 11 10.319 1.531 0.561 0.714 0.900 0.700 N 1.250 11 residues pruned to eliminate duplicates Z: 12 9.374 1.430 0.515 0.651 0.909 0.545 N 1.248 12 residues pruned to eliminate duplicates Z: 11 12.480 1.497 0.616 0.904 1.000 0.700 CA 1.162 11 residues pruned to eliminate duplicates Z: 10 11.841 1.555 0.392 0.885 1.000 0.556 CA 1.316 10 residues pruned to eliminate duplicates Z: 9 6.219 1.392 0.364 0.871 1.000 0.875 CA 0.845 7 residues pruned to eliminate duplicates Z: 15 11.252 1.369 0.466 0.890 0.929 0.786 CB 1.160 22 residues pruned to eliminate duplicates Z: 9 7.925 1.411 0.412 0.886 1.000 0.875 CA 1.015 9 residues pruned to eliminate duplicates Z: 7 6.985 1.364 0.625 0.855 1.000 0.833 CB 0.950 7 residues pruned to eliminate duplicates Z: 6 4.195 1.433 0.017 0.824 1.000 0.800 CB 0.973 6 residues pruned to eliminate duplicates Z: 12 7.030 1.410 0.227 0.823 0.909 0.727 CB 1.018 12 residues pruned to eliminate duplicates Z: 9 6.166 1.369 0.331 0.837 1.000 0.500 CB 0.895 9 residues pruned to eliminate duplicates Z: 19 7.904 1.403 0.421 0.598 0.778 0.333 CB 1.093 19 residues pruned to eliminate duplicates Z: 10 8.037 1.443 0.224 0.821 0.889 0.778 CB 1.292 10 residues pruned to eliminate duplicates Z: 11 7.818 1.399 0.445 0.806 0.900 0.800 CB 1.041 11 residues pruned to eliminate duplicates Z: 57 49.283 2.017 0.739 0.849 0.982 0.786 CA 1.417 57 residues pruned to eliminate duplicates Z: 58 49.990 1.970 0.768 0.877 1.000 0.789 CA 1.380 58 residues pruned to eliminate duplicates Z: 61 41.755 2.006 0.559 0.869 0.983 0.883 CA 1.280 61 residues pruned to eliminate duplicates Z: 57 41.793 1.988 0.527 0.869 1.000 0.786 CA 1.343 57 residues pruned to eliminate duplicates Z: 59 48.829 2.020 0.654 0.882 1.000 0.828 CA 1.389 59 residues pruned to eliminate duplicates Z: 57 43.374 2.010 0.724 0.775 0.946 0.732 CA 1.386 57 residues pruned to eliminate duplicates Z: 51 48.517 2.044 0.860 0.814 0.980 0.780 CA 1.401 51 residues pruned to eliminate duplicates Z: 49 56.279 2.056 0.927 0.863 0.979 0.771 CB 1.536 49 residues pruned to eliminate duplicates Z: 52 49.656 2.033 0.855 0.825 0.980 0.804 CA 1.420 52 residues pruned to eliminate duplicates Z: 58 39.535 1.970 0.798 0.755 0.895 0.579 CB 1.317 58 residues pruned to eliminate duplicates Z: 63 48.667 1.997 0.757 0.803 0.935 0.774 CB 1.445 100 residues pruned to eliminate duplicates Z: 34 30.953 1.931 0.580 0.942 0.970 0.758 CB 1.262 34 residues pruned to eliminate duplicates Z: 57 60.940 2.073 0.892 0.880 1.000 0.768 CA 1.505 57 residues pruned to eliminate duplicates Z: 55 50.626 2.029 0.835 0.878 0.944 0.648 CB 1.422 55 residues pruned to eliminate duplicates Z: 50 53.589 2.051 0.958 0.828 0.959 0.694 CB 1.497 50 residues pruned to eliminate duplicates Z: 19 21.685 1.908 1.080 0.694 0.889 0.500 CB 1.214 19 residues pruned to eliminate duplicates Z: 51 44.807 2.041 0.894 0.807 0.880 0.620 CB 1.426 51 residues pruned to eliminate duplicates Z: 48 45.072 2.033 0.898 0.745 0.957 0.681 CB 1.429 48 residues pruned to eliminate duplicates Z: 59 51.656 2.034 0.850 0.867 0.948 0.672 CB 1.391 59 residues pruned to eliminate duplicates Z: 72 41.755 1.977 0.601 0.777 0.915 0.803 CA 1.339 72 residues pruned to eliminate duplicates Z: 61 41.591 2.019 0.457 0.833 0.983 0.833 CA 1.392 61 residues pruned to eliminate duplicates Z: 23 31.329 2.090 0.988 0.889 1.000 0.636 CB 1.158 23 residues pruned to eliminate duplicates Z: 59 54.528 2.031 0.912 0.847 0.983 0.655 CB 1.393 59 residues pruned to eliminate duplicates Z: 10 13.194 2.046 0.360 0.911 1.000 0.889 CB 1.120 10 residues pruned to eliminate duplicates Z: 60 55.662 2.030 0.895 0.850 1.000 0.593 CB 1.396 60 residues pruned to eliminate duplicates Z: 56 37.275 1.985 0.584 0.733 0.964 0.818 CA 1.345 56 residues pruned to eliminate duplicates Z: 56 46.768 1.970 0.797 0.749 0.927 0.727 CB 1.538 56 residues pruned to eliminate duplicates Z: 59 54.013 1.992 1.023 0.835 0.931 0.638 CB 1.416 59 residues pruned to eliminate duplicates Z: 31 22.787 1.932 0.849 0.611 0.867 0.467 CB 1.210 31 residues pruned to eliminate duplicates Z: 59 40.786 1.990 0.573 0.748 0.966 0.759 CA 1.420 59 residues pruned to eliminate duplicates Z: 37 36.843 2.021 0.694 0.775 0.972 0.750 CA 1.446 37 residues pruned to eliminate duplicates Z: 34 33.930 2.007 0.660 0.778 0.970 0.788 CA 1.431 34 residues pruned to eliminate duplicates Z: 56 48.569 2.020 0.648 0.878 0.982 0.873 CA 1.454 56 residues pruned to eliminate duplicates Z: 51 47.249 2.051 0.760 0.818 0.980 0.800 CA 1.433 51 residues pruned to eliminate duplicates Z: 51 45.822 2.027 0.750 0.834 0.940 0.820 CA 1.457 51 residues pruned to eliminate duplicates Z: 35 37.724 1.993 0.829 0.750 0.971 0.676 CA 1.463 35 residues pruned to eliminate duplicates Z: 49 41.196 2.025 0.606 0.837 0.958 0.812 CA 1.427 49 residues pruned to eliminate duplicates Z: 51 52.839 2.043 0.827 0.856 0.980 0.760 CB 1.506 51 residues pruned to eliminate duplicates Z: 51 47.658 2.027 0.790 0.835 0.960 0.780 CA 1.450 51 residues pruned to eliminate duplicates Z: 50 47.393 2.060 0.710 0.827 0.980 0.755 CA 1.478 50 residues pruned to eliminate duplicates Z: 62 54.702 1.992 0.897 0.843 0.967 0.689 CB 1.427 61 residues pruned to eliminate duplicates Z: 40 40.548 1.985 0.743 0.882 0.949 0.769 CA 1.432 41 residues pruned to eliminate duplicates Z: 37 42.621 1.986 0.942 0.923 1.000 0.722 CA 1.294 37 residues pruned to eliminate duplicates Z: 38 42.952 1.976 0.923 0.923 0.946 0.703 CA 1.381 38 residues pruned to eliminate duplicates Z: 52 46.731 2.025 0.829 0.791 0.941 0.765 CA 1.454 52 residues pruned to eliminate duplicates Z: 58 47.904 1.997 0.761 0.791 0.947 0.719 CA 1.475 58 residues pruned to eliminate duplicates Z: 36 40.324 2.018 0.822 0.776 0.943 0.657 CB 1.540 36 residues pruned to eliminate duplicates Z: 40 41.094 2.064 0.756 0.819 0.974 0.692 CA 1.413 40 residues pruned to eliminate duplicates Z: 50 51.415 2.050 0.838 0.807 0.959 0.755 CA 1.555 50 residues pruned to eliminate duplicates Z: 53 48.102 2.001 0.860 0.791 0.923 0.731 CA 1.505 53 residues pruned to eliminate duplicates Z: 38 37.095 2.003 0.790 0.734 0.919 0.784 CA 1.499 38 residues pruned to eliminate duplicates Z: 24 28.293 2.039 0.940 0.680 0.870 0.696 CA 1.454 24 residues pruned to eliminate duplicates Z: 59 45.297 1.982 0.790 0.764 0.948 0.741 CA 1.399 59 residues pruned to eliminate duplicates Z: 46 46.690 2.027 0.945 0.810 0.978 0.844 CB 1.378 39 residues pruned to eliminate duplicates Z: 38 48.135 1.979 0.960 0.933 1.000 0.784 CA 1.424 38 residues pruned to eliminate duplicates Z: 48 52.264 2.069 0.891 0.863 0.979 0.787 CA 1.460 48 residues pruned to eliminate duplicates Z: 49 46.794 2.039 0.816 0.846 0.958 0.792 CA 1.414 49 residues pruned to eliminate duplicates Z: 57 49.242 2.033 0.889 0.810 0.929 0.625 CB 1.409 47 residues pruned to eliminate duplicates Z: 39 46.019 2.003 0.981 0.867 1.000 0.711 CA 1.377 39 residues pruned to eliminate duplicates Z: 26 23.609 1.842 0.577 0.800 0.920 0.760 CB 1.359 26 residues pruned to eliminate duplicates Z: 16 15.775 1.701 0.889 0.541 0.933 0.533 CB 1.306 16 residues pruned to eliminate duplicates Z: 26 23.290 1.807 0.551 0.678 0.960 0.640 N 1.471 18 residues pruned to eliminate duplicates Z: 18 31.284 1.863 0.894 0.907 1.000 0.647 CB 1.528 18 residues pruned to eliminate duplicates Z: 19 23.399 1.813 0.594 0.830 1.000 0.667 N 1.435 19 residues pruned to eliminate duplicates Z: 41 28.207 1.761 0.678 0.780 0.900 0.475 CB 1.310 51 residues pruned to eliminate duplicates Z: 25 26.409 1.782 0.634 0.950 1.000 0.792 CB 1.276 25 residues pruned to eliminate duplicates Z: 18 15.540 1.702 0.581 0.672 0.882 0.353 CA 1.354 18 residues pruned to eliminate duplicates Z: 44 32.830 1.786 0.801 0.806 0.930 0.605 CB 1.282 46 residues pruned to eliminate duplicates Z: 19 31.421 1.900 0.954 0.930 1.000 0.611 CB 1.395 19 residues pruned to eliminate duplicates Z: 15 14.965 1.756 0.726 0.748 0.857 0.429 CB 1.234 15 residues pruned to eliminate duplicates Z: 12 12.565 1.804 0.580 0.742 0.909 0.545 CB 1.177 12 residues pruned to eliminate duplicates Z: 20 20.262 1.657 0.775 0.807 0.947 0.684 CA 1.276 20 residues pruned to eliminate duplicates Z: 13 14.772 1.623 0.913 0.695 0.917 0.500 CB 1.253 13 residues pruned to eliminate duplicates Z: 15 11.385 1.730 0.707 0.605 0.786 0.429 CB 1.187 15 residues pruned to eliminate duplicates Z: 23 24.212 1.764 0.787 0.834 0.909 0.500 CB 1.350 23 residues pruned to eliminate duplicates Z: 13 13.668 1.736 0.559 0.766 0.917 0.333 CB 1.257 13 residues pruned to eliminate duplicates Z: 16 14.197 1.613 0.734 0.686 0.933 0.400 CB 1.184 16 residues pruned to eliminate duplicates Z: 19 23.270 1.700 0.980 0.883 1.000 0.667 CB 1.178 19 residues pruned to eliminate duplicates Z: 27 23.128 1.759 0.948 0.726 0.962 0.500 CB 1.124 27 residues pruned to eliminate duplicates Z: 15 16.408 1.705 0.932 0.865 0.929 0.643 CB 1.050 15 residues pruned to eliminate duplicates Z: 21 21.944 1.694 0.803 0.884 1.000 0.600 CB 1.160 21 residues pruned to eliminate duplicates Z: 18 12.430 1.627 0.797 0.630 0.882 0.412 CB 1.034 18 residues pruned to eliminate duplicates Z: 19 12.909 1.668 0.727 0.837 0.778 0.333 CB 1.016 19 residues pruned to eliminate duplicates Z: 15 12.450 1.532 0.816 0.747 0.929 0.357 CB 1.032 15 residues pruned to eliminate duplicates Z: 14 15.197 1.652 0.828 0.760 0.923 0.462 CB 1.200 14 residues pruned to eliminate duplicates Z: 14 14.693 1.616 0.691 0.812 1.000 0.615 CB 1.137 14 residues pruned to eliminate duplicates Z: 10 5.584 1.248 0.727 0.552 0.889 0.222 CB 0.924 7 residues pruned to eliminate duplicates Z: 7 6.978 1.288 0.663 0.831 1.000 0.833 CB 0.999 7 residues pruned to eliminate duplicates Z: 29 21.122 1.613 0.796 0.725 0.929 0.643 CB 1.211 32 residues pruned to eliminate duplicates Z: 9 6.892 1.311 0.591 0.844 0.875 0.500 CB 0.993 9 residues pruned to eliminate duplicates Z: 6 3.317 1.331 0.346 0.622 0.800 0.600 N 0.922 6 residues pruned to eliminate duplicates Z: 11 10.543 1.464 0.674 0.799 0.900 0.600 CA 1.163 10 residues pruned to eliminate duplicates Z: 11 13.497 1.529 0.810 0.850 0.900 0.400 CA 1.269 10 residues pruned to eliminate duplicates Z: 8 13.258 1.605 0.960 0.824 1.000 0.286 CB 1.202 8 residues pruned to eliminate duplicates Z: 32 17.300 1.584 0.538 0.642 0.935 0.613 CB 1.194 32 residues pruned to eliminate duplicates Z: 9 8.194 1.553 0.751 0.655 0.875 0.500 CB 1.054 9 residues pruned to eliminate duplicates Z: 9 5.907 1.532 0.673 0.626 0.750 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 9 12.716 1.580 0.992 0.784 0.875 0.375 N 1.272 9 residues pruned to eliminate duplicates Z: 12 13.245 1.488 0.639 0.897 1.000 0.545 CA 1.172 12 residues pruned to eliminate duplicates Z: 11 9.024 1.483 0.332 0.801 0.900 0.600 CA 1.233 12 residues pruned to eliminate duplicates Z: 9 8.014 1.500 0.097 0.876 1.000 0.875 O 1.251 9 residues pruned to eliminate duplicates Z: 11 10.145 1.460 0.295 0.790 1.000 0.700 O 1.315 11 residues pruned to eliminate duplicates Z: 13 10.048 1.447 0.569 0.661 0.917 0.667 CA 1.200 11 residues pruned to eliminate duplicates Z: 11 11.621 1.495 0.331 0.917 1.000 0.900 CB 1.302 12 residues pruned to eliminate duplicates Z: 8 5.744 1.344 0.228 0.863 1.000 0.857 N 0.966 8 residues pruned to eliminate duplicates Z: 10 7.365 1.454 0.627 0.632 0.778 0.444 CB 1.179 10 residues pruned to eliminate duplicates Z: 11 6.397 1.397 0.359 0.634 0.900 0.600 CB 1.044 11 residues pruned to eliminate duplicates Z: 8 7.948 1.486 0.408 0.832 0.857 0.571 CA 1.258 8 residues pruned to eliminate duplicates Z: 11 6.626 1.307 0.650 0.436 1.000 0.800 CB 1.038 11 residues pruned to eliminate duplicates Z: 12 8.508 1.375 0.585 0.592 1.000 0.545 CB 1.078 12 residues pruned to eliminate duplicates Z: 33 25.818 1.741 0.538 0.815 0.969 0.750 CB 1.338 33 residues pruned to eliminate duplicates Z: 20 19.127 1.601 0.421 0.910 1.000 0.789 CA 1.368 20 residues pruned to eliminate duplicates Z: 7 8.029 1.546 0.731 0.723 1.000 0.500 CB 1.001 7 residues pruned to eliminate duplicates Z: 36 26.037 1.771 0.529 0.907 1.000 0.743 CB 1.155 36 residues pruned to eliminate duplicates Z: 23 16.676 1.654 0.583 0.757 0.864 0.591 CB 1.250 23 residues pruned to eliminate duplicates Z: 14 15.087 1.517 0.763 0.848 0.923 0.538 CB 1.257 14 residues pruned to eliminate duplicates Z: 23 16.299 1.576 0.608 0.763 0.864 0.455 CB 1.257 23 residues pruned to eliminate duplicates Z: 17 12.651 1.681 0.381 0.731 0.938 0.688 CB 1.180 17 residues pruned to eliminate duplicates Z: 17 17.117 1.643 0.687 0.811 0.875 0.562 CA 1.346 17 residues pruned to eliminate duplicates Z: 24 16.538 1.757 0.521 0.685 0.870 0.565 CB 1.253 24 residues pruned to eliminate duplicates Z: 15 11.141 1.652 0.418 0.714 0.857 0.714 CB 1.221 15 residues pruned to eliminate duplicates Z: 48 22.919 1.863 0.353 0.669 0.957 0.617 CB 1.186 48 residues pruned to eliminate duplicates Z: 14 12.920 1.658 0.506 0.798 0.923 0.615 CB 1.198 14 residues pruned to eliminate duplicates Z: 22 20.622 1.819 0.693 0.720 0.857 0.762 CB 1.398 22 residues pruned to eliminate duplicates Z: 14 6.879 1.584 0.372 0.477 0.769 0.462 CB 1.168 14 residues pruned to eliminate duplicates Z: 19 13.207 1.692 0.514 0.568 0.889 0.444 CB 1.279 19 residues pruned to eliminate duplicates Z: 27 20.245 1.772 0.773 0.592 0.923 0.577 CB 1.254 27 residues pruned to eliminate duplicates Z: 51 39.245 1.965 0.546 0.811 1.000 0.780 CB 1.394 51 residues pruned to eliminate duplicates Z: 48 38.494 2.022 0.408 0.879 1.000 0.851 CB 1.430 48 residues pruned to eliminate duplicates Z: 22 22.083 1.807 0.714 0.797 0.952 0.524 CB 1.260 22 residues pruned to eliminate duplicates Z: 55 37.290 1.977 0.461 0.832 0.963 0.778 CB 1.370 55 residues pruned to eliminate duplicates Z: 22 21.587 1.844 0.798 0.719 0.857 0.810 CB 1.359 22 residues pruned to eliminate duplicates Z: 23 23.461 1.790 0.676 0.753 1.000 0.591 CB 1.331 23 residues pruned to eliminate duplicates Z: 55 37.390 1.995 0.415 0.876 0.981 0.778 CB 1.335 55 residues pruned to eliminate duplicates Z: 50 36.497 1.996 0.560 0.792 0.959 0.714 CB 1.352 50 residues pruned to eliminate duplicates Z: 19 23.915 1.913 0.679 0.811 0.944 0.778 CB 1.417 19 residues pruned to eliminate duplicates Z: 25 20.206 1.809 0.681 0.691 0.833 0.583 CB 1.366 25 residues pruned to eliminate duplicates Z: 50 37.149 1.963 0.651 0.828 0.980 0.714 CB 1.258 50 residues pruned to eliminate duplicates Z: 39 35.773 2.033 0.611 0.805 0.947 0.684 CB 1.433 39 residues pruned to eliminate duplicates Z: 52 31.464 1.869 0.556 0.761 0.922 0.549 CB 1.304 52 residues pruned to eliminate duplicates Z: 44 36.196 1.996 0.502 0.833 1.000 0.814 CB 1.381 44 residues pruned to eliminate duplicates Z: 11 9.635 1.906 0.443 0.612 0.900 0.500 CB 1.107 11 residues pruned to eliminate duplicates Z: 47 31.686 1.975 0.298 0.774 1.000 0.826 CB 1.431 47 residues pruned to eliminate duplicates Z: 52 38.442 1.985 0.572 0.839 0.980 0.706 CB 1.314 52 residues pruned to eliminate duplicates Z: 33 26.312 2.077 0.468 0.764 0.969 0.812 CB 1.247 33 residues pruned to eliminate duplicates Z: 39 35.218 2.022 0.559 0.816 0.974 0.763 CB 1.415 39 residues pruned to eliminate duplicates Z: 30 29.005 2.141 0.312 0.851 1.000 0.862 CB 1.419 30 residues pruned to eliminate duplicates Z: 52 40.042 1.943 0.486 0.882 0.980 0.804 CB 1.434 52 residues pruned to eliminate duplicates Z: 50 30.241 1.947 0.419 0.772 0.939 0.673 CB 1.310 50 residues pruned to eliminate duplicates Z: 52 36.425 1.994 0.523 0.812 0.961 0.784 CB 1.333 52 residues pruned to eliminate duplicates Z: 34 24.886 2.043 0.349 0.767 0.939 0.818 CB 1.320 34 residues pruned to eliminate duplicates Z: 61 36.343 1.948 0.398 0.860 0.950 0.767 CB 1.334 61 residues pruned to eliminate duplicates Z: 51 34.620 1.978 0.518 0.817 0.940 0.720 CB 1.317 51 residues pruned to eliminate duplicates Z: 28 28.844 2.053 0.749 0.751 0.926 0.667 CB 1.335 28 residues pruned to eliminate duplicates Z: 55 38.663 1.973 0.632 0.827 0.981 0.648 CB 1.254 55 residues pruned to eliminate duplicates Z: 53 36.062 1.936 0.707 0.808 0.962 0.615 CB 1.203 53 residues pruned to eliminate duplicates Z: 42 44.199 2.025 0.825 0.872 1.000 0.780 CB 1.361 42 residues pruned to eliminate duplicates Z: 53 42.554 1.923 0.810 0.869 0.981 0.558 CB 1.263 53 residues pruned to eliminate duplicates Z: 64 36.375 1.881 0.507 0.820 0.921 0.651 CB 1.330 64 residues pruned to eliminate duplicates Z: 55 37.984 1.957 0.683 0.848 0.963 0.556 CB 1.209 55 residues pruned to eliminate duplicates Z: 59 39.235 1.909 0.637 0.798 0.966 0.552 CB 1.315 59 residues pruned to eliminate duplicates Z: 60 35.517 1.899 0.580 0.784 0.932 0.729 CB 1.287 60 residues pruned to eliminate duplicates Z: 19 19.950 1.962 0.481 0.881 1.000 0.833 CB 1.172 19 residues pruned to eliminate duplicates Z: 59 46.772 1.977 0.799 0.895 0.983 0.672 CB 1.259 59 residues pruned to eliminate duplicates Z: 63 35.202 1.900 0.765 0.795 0.952 0.516 CB 1.082 63 residues pruned to eliminate duplicates Z: 24 16.179 1.856 0.391 0.742 0.913 0.609 CB 1.152 24 residues pruned to eliminate duplicates Z: 65 47.499 1.964 0.870 0.868 0.969 0.703 CB 1.220 65 residues pruned to eliminate duplicates Z: 69 38.843 1.965 0.694 0.702 0.912 0.603 CB 1.291 72 residues pruned to eliminate duplicates Z: 34 34.657 2.049 0.726 0.926 0.939 0.636 CB 1.273 34 residues pruned to eliminate duplicates Z: 61 44.113 1.956 0.842 0.853 0.983 0.667 CB 1.188 61 residues pruned to eliminate duplicates Z: 60 41.296 1.930 0.766 0.811 0.881 0.627 CB 1.366 60 residues pruned to eliminate duplicates Z: 58 39.034 1.930 0.722 0.790 0.947 0.649 CB 1.273 58 residues pruned to eliminate duplicates Z: 75 47.486 1.968 0.706 0.835 1.000 0.703 CB 1.231 75 residues pruned to eliminate duplicates Z: 61 38.299 1.929 0.583 0.788 1.000 0.700 CB 1.257 61 residues pruned to eliminate duplicates Z: 60 43.578 1.973 0.815 0.862 0.966 0.695 CB 1.204 60 residues pruned to eliminate duplicates Z: 67 40.998 1.926 0.712 0.787 0.955 0.667 CB 1.247 67 residues pruned to eliminate duplicates Z: 37 38.287 2.049 0.779 0.898 0.972 0.667 CB 1.288 37 residues pruned to eliminate duplicates Z: 52 33.638 1.967 0.772 0.723 0.922 0.431 CB 1.199 52 residues pruned to eliminate duplicates Z: 52 38.607 2.043 0.582 0.800 0.980 0.725 CB 1.312 52 residues pruned to eliminate duplicates Z: 10 2.922 1.328 0.429 0.281 0.667 0.333 C 0.986 10 residues pruned to eliminate duplicates Z: 66 43.011 1.946 0.795 0.820 0.954 0.585 CB 1.213 66 residues pruned to eliminate duplicates Z: 41 31.976 1.967 0.600 0.655 0.925 0.700 CB 1.504 41 residues pruned to eliminate duplicates Z: 34 35.405 2.122 0.570 0.842 0.939 0.818 CB 1.467 34 residues pruned to eliminate duplicates Z: 37 31.683 2.023 0.666 0.749 0.917 0.639 CB 1.368 37 residues pruned to eliminate duplicates Z: 34 34.557 2.125 0.583 0.835 0.939 0.848 CB 1.426 34 residues pruned to eliminate duplicates Z: 36 37.910 2.041 0.695 0.804 0.971 0.771 CB 1.463 36 residues pruned to eliminate duplicates Z: 33 36.799 2.113 0.609 0.864 0.969 0.938 CB 1.448 33 residues pruned to eliminate duplicates Z: 111 55.713 1.990 0.707 0.769 0.945 0.691 CB 1.303 111 residues pruned to eliminate duplicates Z: 39 32.253 2.086 0.494 0.749 0.921 0.763 CB 1.460 39 residues pruned to eliminate duplicates Z: 38 32.741 2.053 0.623 0.748 0.919 0.784 CB 1.409 38 residues pruned to eliminate duplicates Z: 34 39.804 2.103 0.776 0.830 0.970 0.818 CB 1.439 34 residues pruned to eliminate duplicates Z: 35 38.152 2.108 0.747 0.809 0.941 0.765 CB 1.442 35 residues pruned to eliminate duplicates Z: 56 44.199 2.027 0.700 0.830 0.945 0.745 CB 1.375 56 residues pruned to eliminate duplicates Z: 36 34.659 2.093 0.708 0.779 0.886 0.800 CB 1.446 36 residues pruned to eliminate duplicates Z: 59 42.788 1.964 0.721 0.784 0.948 0.724 CB 1.365 59 residues pruned to eliminate duplicates Z: 54 36.021 1.965 0.739 0.741 0.906 0.604 CB 1.288 54 residues pruned to eliminate duplicates Z: 41 33.038 2.013 0.679 0.722 0.925 0.750 CB 1.367 41 residues pruned to eliminate duplicates Z: 34 37.923 2.110 0.730 0.844 0.939 0.848 CB 1.433 34 residues pruned to eliminate duplicates Z: 37 35.944 2.059 0.733 0.796 0.944 0.722 CB 1.372 37 residues pruned to eliminate duplicates Z: 35 36.037 2.111 0.797 0.794 0.912 0.765 CB 1.382 35 residues pruned to eliminate duplicates Z: 35 39.850 2.124 0.752 0.835 0.971 0.853 CB 1.417 35 residues pruned to eliminate duplicates Z: 36 36.830 2.103 0.645 0.797 0.971 0.800 CB 1.429 36 residues pruned to eliminate duplicates Z: 37 37.562 2.051 0.783 0.785 0.944 0.778 CB 1.411 37 residues pruned to eliminate duplicates Z: 34 38.180 2.117 0.872 0.823 0.939 0.788 CB 1.349 34 residues pruned to eliminate duplicates Z: 58 44.507 2.005 0.758 0.798 0.965 0.667 CB 1.335 58 residues pruned to eliminate duplicates Z: 35 37.331 2.110 0.741 0.815 0.941 0.794 CB 1.408 35 residues pruned to eliminate duplicates Z: 34 37.662 2.132 0.612 0.854 0.970 0.848 CB 1.454 34 residues pruned to eliminate duplicates Z: 36 39.382 2.093 0.737 0.835 0.943 0.771 CB 1.455 36 residues pruned to eliminate duplicates Z: 37 37.170 2.052 0.856 0.794 0.944 0.694 CB 1.330 37 residues pruned to eliminate duplicates Z: 35 39.371 2.081 0.889 0.823 0.941 0.706 CB 1.380 35 residues pruned to eliminate duplicates Z: 55 40.868 1.969 0.840 0.766 0.926 0.648 CB 1.309 55 residues pruned to eliminate duplicates Z: 57 44.124 2.017 0.669 0.807 0.964 0.768 CB 1.390 57 residues pruned to eliminate duplicates Z: 57 44.544 2.032 0.685 0.809 0.929 0.786 CB 1.430 57 residues pruned to eliminate duplicates Z: 13 6.604 1.771 0.560 0.408 0.833 0.417 CB 0.912 13 residues pruned to eliminate duplicates Z: 28 22.164 1.886 0.760 0.709 0.852 0.704 CB 1.247 28 residues pruned to eliminate duplicates Z: 72 44.815 1.998 0.656 0.779 0.930 0.746 CB 1.352 72 residues pruned to eliminate duplicates Z: 44 33.058 1.999 0.603 0.728 0.953 0.674 CB 1.344 26 residues pruned to eliminate duplicates Z: 25 28.279 1.778 0.907 0.875 1.000 0.792 CB 1.238 25 residues pruned to eliminate duplicates Z: 31 20.082 1.868 0.687 0.579 0.867 0.533 CB 1.244 31 residues pruned to eliminate duplicates Z: 27 24.667 1.909 0.796 0.746 0.885 0.577 CB 1.280 27 residues pruned to eliminate duplicates Z: 27 23.586 1.878 0.838 0.753 0.923 0.615 CB 1.158 27 residues pruned to eliminate duplicates Z: 28 26.028 1.927 0.766 0.751 0.926 0.630 CB 1.271 28 residues pruned to eliminate duplicates Z: 54 47.759 2.051 0.820 0.839 0.925 0.792 CB 1.419 54 residues pruned to eliminate duplicates Z: 32 25.833 1.821 0.819 0.654 0.968 0.581 CB 1.254 32 residues pruned to eliminate duplicates Z: 60 40.470 1.991 0.732 0.779 0.915 0.712 CB 1.305 60 residues pruned to eliminate duplicates Z: 27 24.482 1.891 0.828 0.781 0.923 0.692 CB 1.175 27 residues pruned to eliminate duplicates Z: 57 47.382 2.019 0.768 0.817 0.946 0.750 CB 1.423 57 residues pruned to eliminate duplicates Z: 39 21.453 1.796 0.763 0.569 0.868 0.605 CB 1.185 39 residues pruned to eliminate duplicates Z: 58 44.858 2.015 0.814 0.803 0.930 0.789 CB 1.341 58 residues pruned to eliminate duplicates Z: 27 23.700 1.904 0.782 0.788 0.923 0.808 CB 1.152 27 residues pruned to eliminate duplicates Z: 29 22.780 1.899 0.783 0.725 0.929 0.571 CB 1.118 29 residues pruned to eliminate duplicates Z: 28 21.075 1.768 0.776 0.707 0.889 0.519 CB 1.204 28 residues pruned to eliminate duplicates Z: 28 24.929 1.920 0.817 0.738 0.963 0.667 CB 1.154 28 residues pruned to eliminate duplicates Z: 60 39.859 1.970 0.804 0.766 0.915 0.661 CB 1.260 36 residues pruned to eliminate duplicates Z: 19 22.416 1.788 0.769 0.773 0.944 0.611 CB 1.390 19 residues pruned to eliminate duplicates Z: 92 48.327 1.985 0.630 0.756 0.912 0.736 CB 1.366 97 residues pruned to eliminate duplicates Z: 25 23.101 1.713 0.635 0.884 0.958 0.750 CA 1.270 25 residues pruned to eliminate duplicates Z: 9 15.967 1.792 1.099 0.915 0.875 0.500 CB 1.212 9 residues pruned to eliminate duplicates Z: 25 22.939 1.845 0.728 0.720 0.875 0.542 CB 1.376 25 residues pruned to eliminate duplicates Z: 35 27.498 1.800 0.793 0.742 0.853 0.618 CB 1.379 35 residues pruned to eliminate duplicates Z: 25 21.421 1.841 0.696 0.705 0.875 0.625 CB 1.328 25 residues pruned to eliminate duplicates Z: 24 22.929 1.822 0.787 0.729 0.870 0.652 CA 1.374 24 residues pruned to eliminate duplicates Z: 36 35.294 1.932 0.754 0.809 0.943 0.829 CB 1.426 36 residues pruned to eliminate duplicates Z: 37 34.111 1.929 0.673 0.784 0.944 0.750 CB 1.452 37 residues pruned to eliminate duplicates Z: 24 22.048 1.841 0.737 0.718 0.870 0.696 CA 1.358 24 residues pruned to eliminate duplicates Z: 21 24.166 1.824 0.696 0.878 0.900 0.900 CB 1.409 21 residues pruned to eliminate duplicates Z: 71 54.991 2.043 0.660 0.829 0.957 0.843 CA 1.523 108 residues pruned to eliminate duplicates Z: 24 26.331 1.738 0.811 0.924 0.957 0.826 CA 1.281 24 residues pruned to eliminate duplicates Z: 28 21.577 1.793 0.739 0.771 0.852 0.630 CB 1.229 28 residues pruned to eliminate duplicates Z: 35 34.609 1.994 0.751 0.801 0.912 0.824 CA 1.433 35 residues pruned to eliminate duplicates Z: 29 21.385 1.799 0.723 0.745 0.821 0.607 CB 1.275 29 residues pruned to eliminate duplicates Z: 35 35.432 1.964 0.716 0.830 0.941 0.824 CB 1.441 35 residues pruned to eliminate duplicates Z: 29 18.827 1.792 0.624 0.749 0.857 0.607 CB 1.142 29 residues pruned to eliminate duplicates Z: 45 40.690 1.921 0.809 0.799 0.955 0.636 CB 1.423 45 residues pruned to eliminate duplicates Z: 24 27.623 1.978 0.555 0.854 1.000 0.870 CB 1.383 24 residues pruned to eliminate duplicates Z: 25 29.183 1.979 0.755 0.823 0.958 0.875 CB 1.353 25 residues pruned to eliminate duplicates Z: 25 32.391 1.982 0.841 0.811 1.000 0.833 CB 1.382 25 residues pruned to eliminate duplicates Z: 57 64.748 2.104 0.864 0.893 0.982 0.893 CA 1.612 57 residues pruned to eliminate duplicates Z: 18 26.286 1.958 0.784 0.720 0.941 0.765 CA 1.590 18 residues pruned to eliminate duplicates Z: 18 26.830 2.066 0.678 0.708 0.941 0.706 CA 1.651 18 residues pruned to eliminate duplicates Z: 18 25.986 2.041 0.824 0.711 0.882 0.882 CB 1.585 18 residues pruned to eliminate duplicates Z: 16 27.732 2.117 0.802 0.807 0.933 0.867 CA 1.539 16 residues pruned to eliminate duplicates Z: 22 36.568 2.041 0.898 0.899 1.000 0.905 CB 1.472 22 residues pruned to eliminate duplicates Z: 55 54.904 2.062 0.909 0.787 0.926 0.741 CA 1.593 55 residues pruned to eliminate duplicates Z: 60 51.746 2.087 0.785 0.759 0.898 0.763 CA 1.600 60 residues pruned to eliminate duplicates Z: 24 37.048 2.021 0.965 0.752 0.957 0.739 CA 1.624 24 residues pruned to eliminate duplicates Z: 31 38.474 1.979 0.881 0.827 0.967 0.733 CB 1.471 31 residues pruned to eliminate duplicates Z: 24 36.967 2.007 0.907 0.773 0.957 0.739 CB 1.655 24 residues pruned to eliminate duplicates Z: 51 60.928 2.116 0.947 0.858 0.960 0.840 CA 1.604 51 residues pruned to eliminate duplicates Z: 23 35.647 2.033 1.016 0.761 0.909 0.727 CB 1.617 23 residues pruned to eliminate duplicates Z: 50 58.042 2.090 1.000 0.832 0.959 0.857 CA 1.553 50 residues pruned to eliminate duplicates Z: 29 29.050 1.886 0.978 0.634 0.929 0.607 CB 1.397 29 residues pruned to eliminate duplicates Z: 77 63.001 1.979 0.970 0.790 0.947 0.724 CA 1.517 77 residues pruned to eliminate duplicates Z: 48 49.754 2.072 0.896 0.766 0.979 0.809 CA 1.490 48 residues pruned to eliminate duplicates Z: 51 64.273 2.123 1.052 0.833 0.960 0.680 CA 1.630 51 residues pruned to eliminate duplicates Z: 78 57.806 2.045 0.832 0.742 0.935 0.766 CA 1.514 78 residues pruned to eliminate duplicates Z: 33 38.511 2.098 0.677 0.834 0.969 0.719 CA 1.498 33 residues pruned to eliminate duplicates Z: 11 23.491 2.133 0.557 0.918 1.000 0.700 CA 1.577 11 residues pruned to eliminate duplicates Z: 53 56.602 2.118 0.951 0.803 0.942 0.712 CB 1.547 53 residues pruned to eliminate duplicates Z: 31 53.542 2.126 1.098 0.903 1.000 0.800 CB 1.562 31 residues pruned to eliminate duplicates Z: 29 52.433 2.211 1.006 0.912 1.000 0.964 CA 1.581 29 residues pruned to eliminate duplicates Z: 30 46.728 2.163 0.933 0.886 0.966 0.862 CA 1.551 30 residues pruned to eliminate duplicates Z: 29 51.761 2.191 1.042 0.913 1.000 0.893 CA 1.547 29 residues pruned to eliminate duplicates Z: 57 67.812 2.074 1.095 0.874 1.000 0.821 CB 1.518 57 residues pruned to eliminate duplicates Z: 32 52.452 2.131 1.034 0.876 1.000 0.774 CA 1.580 32 residues pruned to eliminate duplicates Z: 41 43.456 2.046 0.832 0.734 0.950 0.750 CA 1.563 41 residues pruned to eliminate duplicates Z: 52 63.079 2.126 1.022 0.826 0.961 0.725 CA 1.612 52 residues pruned to eliminate duplicates Z: 32 48.824 2.130 0.946 0.867 1.000 0.871 CA 1.548 32 residues pruned to eliminate duplicates Z: 30 52.792 2.159 1.140 0.889 0.966 0.897 CA 1.582 30 residues pruned to eliminate duplicates Z: 29 52.578 2.176 1.010 0.926 1.000 0.821 CB 1.594 29 residues pruned to eliminate duplicates Z: 56 53.771 2.037 0.954 0.766 0.945 0.764 CB 1.522 56 residues pruned to eliminate duplicates Z: 50 62.213 2.124 1.078 0.831 0.959 0.796 CB 1.577 50 residues pruned to eliminate duplicates Z: 29 56.012 2.210 1.028 0.962 1.000 0.964 CA 1.615 29 residues pruned to eliminate duplicates Z: 56 53.155 2.092 0.908 0.804 0.945 0.691 CB 1.456 56 residues pruned to eliminate duplicates Z: 32 48.220 2.142 0.918 0.857 1.000 0.839 CB 1.554 32 residues pruned to eliminate duplicates Z: 54 60.895 2.106 0.979 0.810 1.000 0.811 CB 1.531 54 residues pruned to eliminate duplicates Z: 29 54.793 2.173 1.209 0.921 1.000 0.786 CB 1.518 29 residues pruned to eliminate duplicates Z: 30 50.469 2.171 0.990 0.882 1.000 0.828 CB 1.570 30 residues pruned to eliminate duplicates Z: 80 67.600 2.057 1.011 0.739 0.962 0.658 CB 1.543 80 residues pruned to eliminate duplicates Z: 34 45.489 2.090 1.127 0.792 0.909 0.697 CB 1.517 34 residues pruned to eliminate duplicates Z: 36 44.717 2.080 1.005 0.781 0.943 0.771 CB 1.500 36 residues pruned to eliminate duplicates Z: 52 56.058 2.125 0.989 0.789 0.941 0.706 CB 1.531 52 residues pruned to eliminate duplicates Z: 24 26.709 2.004 0.777 0.758 0.913 0.652 CB 1.361 24 residues pruned to eliminate duplicates Z: 23 31.853 2.031 0.875 0.751 0.955 0.682 CB 1.493 23 residues pruned to eliminate duplicates Z: 28 25.949 1.968 0.864 0.641 0.889 0.593 CB 1.342 28 residues pruned to eliminate duplicates Z: 26 30.408 2.029 0.800 0.694 0.960 0.720 CA 1.452 26 residues pruned to eliminate duplicates Z: 52 60.059 2.129 1.031 0.831 0.961 0.686 CB 1.521 52 residues pruned to eliminate duplicates Z: 23 22.866 1.934 0.581 0.709 1.000 0.909 CB 1.319 23 residues pruned to eliminate duplicates Z: 27 30.567 1.989 0.820 0.726 0.923 0.577 CB 1.463 27 residues pruned to eliminate duplicates Z: 24 29.071 2.066 0.718 0.722 0.957 0.870 CA 1.461 24 residues pruned to eliminate duplicates Z: 57 54.337 2.044 0.944 0.772 0.964 0.696 CA 1.489 57 residues pruned to eliminate duplicates Z: 54 59.502 2.107 1.043 0.792 0.962 0.792 CB 1.528 54 residues pruned to eliminate duplicates Z: 57 55.092 2.090 0.879 0.761 0.982 0.804 CA 1.513 57 residues pruned to eliminate duplicates Z: 26 27.038 2.000 0.737 0.688 0.920 0.600 CB 1.424 26 residues pruned to eliminate duplicates Z: 76 69.487 2.085 1.127 0.770 0.960 0.640 CB 1.484 76 residues pruned to eliminate duplicates Z: 23 26.145 1.915 0.793 0.708 0.955 0.545 CB 1.408 23 residues pruned to eliminate duplicates Z: 55 55.135 2.089 0.977 0.780 0.944 0.593 CB 1.502 55 residues pruned to eliminate duplicates Z: 24 26.063 1.938 0.712 0.746 1.000 0.478 CA 1.315 24 residues pruned to eliminate duplicates Z: 50 55.608 2.052 1.097 0.808 0.939 0.694 CB 1.504 50 residues pruned to eliminate duplicates Z: 27 26.606 1.977 0.787 0.685 0.885 0.500 CA 1.408 27 residues pruned to eliminate duplicates Z: 15 20.185 1.816 1.274 0.687 0.857 0.571 CA 1.284 15 residues pruned to eliminate duplicates Z: 13 17.637 1.957 1.221 0.693 0.833 0.500 CA 1.178 13 residues pruned to eliminate duplicates Z: 21 20.682 1.850 0.697 0.828 0.850 0.550 CA 1.306 21 residues pruned to eliminate duplicates Z: 27 22.077 1.904 0.719 0.668 0.923 0.462 CB 1.227 27 residues pruned to eliminate duplicates Z: 19 24.353 1.906 0.915 0.854 0.944 0.556 CB 1.230 19 residues pruned to eliminate duplicates Z: 13 18.797 1.891 0.788 0.838 0.917 0.500 CB 1.308 13 residues pruned to eliminate duplicates Z: 36 33.757 1.951 0.843 0.747 0.886 0.629 CB 1.436 36 residues pruned to eliminate duplicates Z: 13 13.982 1.855 0.642 0.720 0.833 0.667 CB 1.303 13 residues pruned to eliminate duplicates Z: 34 31.150 1.954 0.929 0.752 0.848 0.455 CB 1.354 34 residues pruned to eliminate duplicates Z: 23 22.884 1.896 0.879 0.845 0.909 0.500 CB 1.120 23 residues pruned to eliminate duplicates Z: 20 31.408 1.944 1.050 0.878 0.947 0.526 CB 1.385 20 residues pruned to eliminate duplicates Z: 62 52.246 2.047 0.899 0.772 0.902 0.689 CB 1.500 62 residues pruned to eliminate duplicates Z: 79 60.412 2.001 0.949 0.768 0.936 0.718 CB 1.479 79 residues pruned to eliminate duplicates Z: 15 9.396 1.674 0.411 0.642 0.786 0.643 CB 1.186 15 residues pruned to eliminate duplicates Z: 21 8.366 1.547 0.273 0.521 0.750 0.550 CB 1.241 21 residues pruned to eliminate duplicates Z: 19 11.350 1.588 0.309 0.558 0.944 0.556 CB 1.288 19 residues pruned to eliminate duplicates Z: 33 13.122 1.653 0.463 0.684 0.812 0.500 CB 0.997 33 residues pruned to eliminate duplicates Z: 9 5.318 1.724 0.133 0.490 0.750 0.500 CB 1.297 9 residues pruned to eliminate duplicates Z: 12 4.766 1.581 0.179 0.383 0.636 0.182 CB 1.371 12 residues pruned to eliminate duplicates Z: 17 10.026 1.549 0.475 0.570 0.875 0.438 CB 1.171 17 residues pruned to eliminate duplicates Z: 23 10.666 1.524 0.459 0.547 0.773 0.500 CB 1.264 23 residues pruned to eliminate duplicates Z: 13 9.475 1.675 0.336 0.678 0.833 0.500 CB 1.245 13 residues pruned to eliminate duplicates Z: 14 12.825 1.688 0.248 0.726 1.000 0.538 CB 1.377 14 residues pruned to eliminate duplicates Z: 19 10.737 1.585 0.480 0.567 0.833 0.500 CB 1.214 19 residues pruned to eliminate duplicates Z: 30 17.748 1.642 0.376 0.808 0.897 0.793 CB 1.244 30 residues pruned to eliminate duplicates Z: 11 6.422 1.539 0.512 0.633 0.700 0.600 N 1.101 11 residues pruned to eliminate duplicates Z: 18 16.742 1.663 0.433 0.929 0.941 0.882 CB 1.267 18 residues pruned to eliminate duplicates Z: 24 15.402 1.572 0.587 0.657 0.870 0.696 CB 1.280 24 residues pruned to eliminate duplicates Z: 26 15.669 1.605 0.482 0.808 0.920 0.800 CB 1.095 26 residues pruned to eliminate duplicates Z: 15 13.045 1.713 0.398 0.797 0.857 0.571 CB 1.309 15 residues pruned to eliminate duplicates Z: 21 17.054 1.665 0.510 0.788 0.950 0.700 CB 1.240 21 residues pruned to eliminate duplicates Z: 23 20.096 1.670 0.517 0.933 1.000 0.909 CB 1.180 23 residues pruned to eliminate duplicates Z: 21 19.719 1.633 0.791 0.797 0.950 0.650 CB 1.224 21 residues pruned to eliminate duplicates Z: 16 12.643 1.633 0.543 0.743 0.867 0.800 CB 1.202 16 residues pruned to eliminate duplicates Z: 34 17.558 1.679 0.523 0.703 0.848 0.576 CB 1.171 34 residues pruned to eliminate duplicates Z: 16 16.597 1.737 0.661 0.844 0.867 0.667 CB 1.275 16 residues pruned to eliminate duplicates Z: 15 16.858 1.638 0.834 0.821 0.857 0.571 CB 1.325 15 residues pruned to eliminate duplicates Z: 9 9.028 1.796 0.517 0.732 0.625 0.375 CB 1.522 9 residues pruned to eliminate duplicates Z: 22 10.003 1.598 0.500 0.612 0.857 0.381 CB 0.955 22 residues pruned to eliminate duplicates Z: 21 15.849 1.659 0.821 0.839 0.850 0.400 CB 1.031 21 residues pruned to eliminate duplicates Z: 21 18.751 1.661 0.851 0.864 0.900 0.400 CB 1.111 21 residues pruned to eliminate duplicates Z: 21 20.500 1.659 0.909 0.890 0.950 0.800 CB 1.096 21 residues pruned to eliminate duplicates Z: 26 10.332 1.556 0.467 0.594 0.960 0.320 CB 0.862 26 residues pruned to eliminate duplicates Z: 26 21.893 1.673 0.836 0.812 0.920 0.640 CB 1.181 26 residues pruned to eliminate duplicates Z: 22 18.216 1.672 0.722 0.830 1.000 0.619 CB 1.038 22 residues pruned to eliminate duplicates Z: 8 3.830 1.403 0.018 0.689 1.000 0.857 CB 0.853 8 residues pruned to eliminate duplicates Z: 9 4.884 1.441 0.226 0.741 0.875 0.625 CB 0.900 9 residues pruned to eliminate duplicates Z: 7 5.949 1.416 0.406 0.792 1.000 0.833 CB 0.944 7 residues pruned to eliminate duplicates Z: 30 18.417 1.678 0.292 0.771 0.931 0.690 CA 1.332 33 residues pruned to eliminate duplicates Z: 9 4.878 1.343 0.307 0.820 0.750 0.500 CB 0.993 9 residues pruned to eliminate duplicates Z: 11 4.456 1.357 0.448 0.647 0.700 0.400 CB 0.893 11 residues pruned to eliminate duplicates Z: 11 6.072 1.332 0.331 0.695 0.800 0.400 CB 1.133 11 residues pruned to eliminate duplicates Z: 18 11.526 1.339 0.582 0.833 0.941 0.529 CB 1.052 18 residues pruned to eliminate duplicates Z: 31 20.887 1.584 0.442 0.874 1.000 0.700 CB 1.215 30 residues pruned to eliminate duplicates Z: 15 9.736 1.397 0.654 0.918 0.929 0.571 CB 0.856 15 residues pruned to eliminate duplicates Z: 17 17.530 1.594 0.444 0.928 1.000 0.875 CB 1.333 17 residues pruned to eliminate duplicates Z: 16 6.136 1.405 0.148 0.545 0.800 0.600 CB 1.175 16 residues pruned to eliminate duplicates Z: 9 7.293 1.534 0.476 0.654 0.875 0.875 CB 1.128 9 residues pruned to eliminate duplicates Z: 23 14.510 1.568 0.318 0.795 0.864 0.636 CB 1.339 23 residues pruned to eliminate duplicates Z: 22 9.029 1.421 0.256 0.591 0.905 0.476 CB 1.118 22 residues pruned to eliminate duplicates Z: 39 27.999 1.846 0.645 0.747 0.947 0.684 CB 1.266 19 residues pruned to eliminate duplicates Z: 21 17.162 1.687 0.549 0.877 0.950 0.600 CB 1.123 21 residues pruned to eliminate duplicates Z: 36 29.637 1.813 0.559 0.834 0.971 0.771 CB 1.368 36 residues pruned to eliminate duplicates Z: 13 13.085 1.692 0.342 0.762 0.917 0.667 CB 1.437 13 residues pruned to eliminate duplicates Z: 30 23.065 1.828 0.540 0.762 0.931 0.690 CB 1.295 30 residues pruned to eliminate duplicates Z: 36 24.791 1.802 0.578 0.728 0.943 0.686 CB 1.274 37 residues pruned to eliminate duplicates Z: 34 16.926 1.528 0.238 0.871 1.000 0.788 CB 1.137 34 residues pruned to eliminate duplicates Z: 34 23.034 1.807 0.492 0.746 0.879 0.667 CB 1.359 34 residues pruned to eliminate duplicates Z: 14 12.565 1.622 0.338 0.810 0.923 0.538 CA 1.328 14 residues pruned to eliminate duplicates Z: 39 28.355 1.813 0.514 0.770 1.000 0.737 CB 1.319 39 residues pruned to eliminate duplicates Z: 38 26.422 1.806 0.493 0.768 0.973 0.730 CA 1.307 38 residues pruned to eliminate duplicates Z: 35 23.576 1.831 0.385 0.820 0.971 0.765 CB 1.245 35 residues pruned to eliminate duplicates Z: 36 23.988 1.821 0.483 0.707 0.971 0.657 CB 1.280 36 residues pruned to eliminate duplicates Z: 38 28.554 1.845 0.627 0.773 0.919 0.703 CA 1.337 38 residues pruned to eliminate duplicates Z: 22 18.429 1.763 0.451 0.688 0.905 0.619 CB 1.463 22 residues pruned to eliminate duplicates Z: 27 21.238 1.870 0.504 0.697 0.962 0.692 CB 1.286 27 residues pruned to eliminate duplicates Z: 45 24.195 1.768 0.355 0.775 0.909 0.727 CB 1.314 45 residues pruned to eliminate duplicates Z: 44 25.534 1.754 0.422 0.736 0.930 0.744 CB 1.357 44 residues pruned to eliminate duplicates Z: 35 22.655 1.827 0.485 0.656 0.912 0.618 CB 1.359 35 residues pruned to eliminate duplicates Z: 21 16.636 1.828 0.530 0.596 0.950 0.600 CB 1.278 21 residues pruned to eliminate duplicates Z: 20 21.379 1.894 0.711 0.828 0.895 0.684 CA 1.274 20 residues pruned to eliminate duplicates Z: 37 30.391 1.863 0.585 0.788 0.972 0.694 CB 1.369 37 residues pruned to eliminate duplicates Z: 24 20.336 1.766 0.679 0.834 0.913 0.739 CB 1.174 22 residues pruned to eliminate duplicates Z: 22 22.671 1.801 0.837 0.919 0.952 0.714 CB 1.107 23 residues pruned to eliminate duplicates Z: 22 25.222 1.819 0.867 0.902 0.952 0.571 CB 1.214 22 residues pruned to eliminate duplicates Z: 24 27.224 1.801 0.912 0.873 0.957 0.783 CA 1.255 23 residues pruned to eliminate duplicates Z: 23 26.402 1.809 0.868 0.920 1.000 0.636 CA 1.173 23 residues pruned to eliminate duplicates Z: 27 23.890 1.846 0.865 0.696 0.923 0.615 CB 1.233 27 residues pruned to eliminate duplicates Z: 37 29.675 1.850 0.608 0.782 0.944 0.806 CB 1.373 37 residues pruned to eliminate duplicates Z: 35 30.322 1.880 0.632 0.768 0.971 0.706 CB 1.377 35 residues pruned to eliminate duplicates Z: 28 25.325 1.920 0.641 0.759 0.963 0.741 CB 1.276 27 residues pruned to eliminate duplicates Z: 25 25.642 1.745 0.953 0.862 0.958 0.667 CB 1.176 25 residues pruned to eliminate duplicates Z: 23 24.892 1.763 1.037 0.902 1.000 0.727 CB 1.054 23 residues pruned to eliminate duplicates Z: 28 25.435 1.893 0.762 0.748 1.000 0.593 CB 1.175 28 residues pruned to eliminate duplicates Z: 40 32.822 1.838 0.786 0.789 0.974 0.667 CB 1.275 40 residues pruned to eliminate duplicates Z: 55 29.327 1.830 0.559 0.694 0.870 0.667 CB 1.346 64 residues pruned to eliminate duplicates Z: 24 23.694 1.763 0.872 0.863 0.957 0.609 CB 1.148 24 residues pruned to eliminate duplicates Z: 17 12.924 1.722 1.051 0.606 0.750 0.438 CB 1.103 17 residues pruned to eliminate duplicates Z: 42 29.721 1.818 0.733 0.720 0.951 0.537 CB 1.269 42 residues pruned to eliminate duplicates Z: 13 12.142 1.694 0.643 0.421 1.000 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 15 14.220 1.787 0.722 0.620 0.857 0.571 CB 1.287 15 residues pruned to eliminate duplicates Z: 15 12.428 1.749 0.464 0.601 0.857 0.643 CA 1.373 15 residues pruned to eliminate duplicates Z: 26 22.219 1.721 0.702 0.763 0.920 0.600 CB 1.305 26 residues pruned to eliminate duplicates Z: 21 18.869 1.683 0.642 0.761 0.950 0.850 CA 1.275 21 residues pruned to eliminate duplicates Z: 22 16.636 1.729 0.575 0.717 0.857 0.667 CA 1.278 22 residues pruned to eliminate duplicates Z: 22 24.044 1.833 0.582 0.866 1.000 0.857 CA 1.324 22 residues pruned to eliminate duplicates Z: 18 18.538 1.749 0.614 0.864 0.941 0.824 CA 1.240 18 residues pruned to eliminate duplicates Z: 18 20.462 1.742 0.777 0.874 0.941 0.824 CA 1.240 18 residues pruned to eliminate duplicates Z: 27 20.829 1.688 0.676 0.747 0.885 0.769 CB 1.309 27 residues pruned to eliminate duplicates Z: 23 26.112 1.790 0.679 0.892 1.000 0.864 CA 1.332 23 residues pruned to eliminate duplicates Z: 26 27.647 1.774 0.660 0.892 1.000 0.840 CB 1.349 26 residues pruned to eliminate duplicates Z: 23 24.076 1.756 0.695 0.863 1.000 0.636 CB 1.265 23 residues pruned to eliminate duplicates Z: 26 28.187 1.773 0.597 0.924 1.000 0.800 CB 1.399 26 residues pruned to eliminate duplicates Z: 29 25.408 1.716 0.685 0.809 0.964 0.750 CB 1.316 29 residues pruned to eliminate duplicates Z: 25 26.063 1.775 0.596 0.932 1.000 0.792 CB 1.312 25 residues pruned to eliminate duplicates Z: 26 27.550 1.780 0.745 0.906 0.960 0.920 CB 1.315 26 residues pruned to eliminate duplicates Z: 28 26.366 1.756 0.684 0.907 1.000 0.778 CB 1.219 28 residues pruned to eliminate duplicates Z: 28 27.341 1.703 0.696 0.880 1.000 0.741 CB 1.320 28 residues pruned to eliminate duplicates Z: 27 28.032 1.774 0.739 0.904 1.000 0.731 CB 1.269 26 residues pruned to eliminate duplicates Z: 26 29.132 1.786 0.834 0.919 0.960 0.680 CB 1.305 27 residues pruned to eliminate duplicates 472 residues left after pruning, divided into chains as follows: A: 28 B: 6 C: 22 D: 56 E: 9 F: 46 G: 12 H: 81 I: 43 J: 99 K: 70 CC for partial structure against native data = 43.81 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.479, Connect. = 0.727 for dens.mod. cycle 1 = 0.300, Contrast = 0.559, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.662, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 0.670, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.677, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.793 for dens.mod. cycle 6 = 0.300, Contrast = 0.677, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.676, Connect. = 0.795 for dens.mod. cycle 8 = 0.300, Contrast = 0.676, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.674, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2698 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: 36 39.488 2.023 0.743 0.938 0.971 0.771 CB 1.355 B: 35 44.494 1.933 1.024 0.896 1.000 0.588 CA 1.397 C: 30 36.833 2.054 0.818 0.927 0.931 0.690 CB 1.379 D: 31 36.045 2.033 0.754 0.928 0.967 0.733 CB 1.337 30 residues pruned to eliminate duplicates E: 22 25.570 2.119 0.281 0.890 0.952 0.905 CA 1.554 F: 29 43.631 2.096 0.791 0.952 1.000 0.821 CA 1.513 G: 28 33.461 1.928 0.840 0.875 0.889 0.741 CB 1.486 H: 37 33.620 1.938 0.582 0.934 1.000 0.778 CB 1.274 36 residues pruned to eliminate duplicates I: 21 31.558 2.183 0.665 0.943 0.950 0.700 CB 1.416 21 residues pruned to eliminate duplicates J: 24 29.247 2.117 0.665 0.901 0.957 0.783 CB 1.291 22 residues pruned to eliminate duplicates K: 26 35.957 1.964 0.887 0.937 0.920 0.680 CB 1.467 28 residues pruned to eliminate duplicates L: 28 28.397 1.969 0.606 0.920 0.963 0.704 CB 1.263 28 residues pruned to eliminate duplicates M: 23 29.376 2.181 0.477 0.943 0.955 0.818 CB 1.411 23 residues pruned to eliminate duplicates N: 27 20.761 1.870 0.634 0.675 0.846 0.731 CB 1.340 O: 24 21.085 1.929 0.609 0.751 0.870 0.739 CB 1.302 P: 31 35.298 2.043 0.755 0.894 0.900 0.833 CB 1.433 31 residues pruned to eliminate duplicates Q: 28 29.027 1.889 0.574 0.895 0.963 0.704 CB 1.399 R: 29 50.934 2.143 1.080 0.948 1.000 0.750 CB 1.492 28 residues pruned to eliminate duplicates S: 25 23.481 2.034 0.232 0.920 0.958 0.750 CB 1.405 25 residues pruned to eliminate duplicates T: 31 34.858 2.014 0.576 0.903 1.000 0.800 CB 1.429 31 residues pruned to eliminate duplicates U: 30 36.994 2.056 0.769 0.932 0.966 0.621 CB 1.366 30 residues pruned to eliminate duplicates V: 30 46.888 2.076 1.039 0.917 0.966 0.724 CA 1.504 30 residues pruned to eliminate duplicates W: 29 34.315 1.913 0.881 0.927 1.000 0.786 CB 1.263 28 residues pruned to eliminate duplicates X: 9 17.828 1.955 0.617 0.907 1.000 0.875 CA 1.418 9 residues pruned to eliminate duplicates Y: 29 36.419 1.913 1.054 0.820 0.929 0.571 CB 1.429 26 residues pruned to eliminate duplicates Z: 29 38.936 2.103 0.682 0.948 1.000 0.821 CA 1.436 29 residues pruned to eliminate duplicates Z: 32 32.927 1.996 0.486 0.914 1.000 0.903 CB 1.410 32 residues pruned to eliminate duplicates Z: 30 33.253 2.054 0.763 0.935 0.897 0.724 CB 1.325 31 residues pruned to eliminate duplicates Z: 24 25.050 1.889 0.737 0.856 0.913 0.609 CB 1.286 24 residues pruned to eliminate duplicates Z: 20 20.565 1.858 0.573 0.908 1.000 0.789 CB 1.147 20 residues pruned to eliminate duplicates Z: 23 30.041 2.162 0.589 0.943 0.955 0.909 CB 1.353 24 residues pruned to eliminate duplicates Z: 21 36.807 2.018 0.892 0.893 1.000 0.650 CB 1.547 21 residues pruned to eliminate duplicates Z: 27 30.223 1.937 0.695 0.893 0.962 0.846 CA 1.347 27 residues pruned to eliminate duplicates Z: 29 33.319 1.889 0.655 0.892 1.000 0.750 CB 1.447 28 residues pruned to eliminate duplicates Z: 27 21.435 2.107 0.163 0.940 0.962 0.885 CB 1.239 27 residues pruned to eliminate duplicates Z: 25 23.555 2.044 0.205 0.935 1.000 1.000 CB 1.360 24 residues pruned to eliminate duplicates Z: 30 39.014 2.066 0.686 0.928 1.000 0.828 CB 1.457 30 residues pruned to eliminate duplicates Z: 30 35.891 1.849 0.828 0.931 0.966 0.759 CB 1.427 26 residues pruned to eliminate duplicates Z: 23 23.379 2.166 0.195 0.933 0.955 0.955 CB 1.408 23 residues pruned to eliminate duplicates Z: 8 5.313 1.943 0.263 0.523 0.714 0.571 CB 1.120 8 residues pruned to eliminate duplicates Z: 13 25.772 2.035 0.694 0.925 1.000 0.750 CA 1.515 13 residues pruned to eliminate duplicates Z: 24 26.032 1.725 0.664 0.927 1.000 0.696 CA 1.324 Z: 31 30.198 1.860 0.679 0.867 0.867 0.733 CB 1.490 31 residues pruned to eliminate duplicates Z: 29 52.286 2.096 1.155 0.949 1.000 0.679 CB 1.509 30 residues pruned to eliminate duplicates Z: 26 33.502 1.985 0.598 0.924 0.920 0.800 CB 1.613 26 residues pruned to eliminate duplicates Z: 18 20.961 1.962 0.270 0.936 1.000 0.941 CA 1.421 18 residues pruned to eliminate duplicates Z: 14 17.741 1.856 0.615 0.832 0.923 0.692 CB 1.334 14 residues pruned to eliminate duplicates Z: 28 27.952 1.914 0.441 0.917 0.963 0.815 CB 1.430 28 residues pruned to eliminate duplicates Z: 13 22.646 1.909 0.641 0.940 1.000 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 29 35.004 1.920 0.643 0.894 1.000 0.786 CB 1.504 30 residues pruned to eliminate duplicates Z: 11 13.242 1.805 0.295 0.862 1.000 0.900 CA 1.314 11 residues pruned to eliminate duplicates Z: 30 36.029 2.044 0.608 0.943 1.000 0.690 CB 1.411 30 residues pruned to eliminate duplicates Z: 21 25.837 2.145 0.586 0.888 0.900 0.500 CB 1.360 21 residues pruned to eliminate duplicates Z: 31 37.770 2.038 0.590 0.935 1.000 0.833 CB 1.483 30 residues pruned to eliminate duplicates Z: 26 36.404 2.001 0.596 0.936 1.000 0.880 CA 1.587 26 residues pruned to eliminate duplicates Z: 23 25.584 1.775 0.704 0.907 0.955 0.500 CB 1.343 23 residues pruned to eliminate duplicates Z: 30 49.355 2.050 1.194 0.932 1.000 0.621 CB 1.423 30 residues pruned to eliminate duplicates Z: 37 34.432 1.816 0.788 0.916 1.000 0.833 CB 1.248 Z: 28 27.885 1.926 0.500 0.921 0.926 0.889 CB 1.411 28 residues pruned to eliminate duplicates Z: 25 35.352 2.001 0.660 0.894 1.000 0.792 CA 1.558 25 residues pruned to eliminate duplicates Z: 35 32.548 1.794 0.919 0.905 1.000 0.412 CB 1.154 35 residues pruned to eliminate duplicates Z: 24 23.173 2.111 0.234 0.895 0.957 0.826 CB 1.390 24 residues pruned to eliminate duplicates Z: 14 23.189 1.887 0.720 0.856 1.000 0.846 CA 1.460 14 residues pruned to eliminate duplicates Z: 16 17.181 1.746 0.635 0.838 0.933 0.733 CB 1.244 Z: 30 36.676 1.929 0.657 0.921 1.000 0.793 CB 1.500 29 residues pruned to eliminate duplicates Z: 35 37.735 1.892 0.854 0.887 1.000 0.765 CA 1.330 35 residues pruned to eliminate duplicates Z: 23 32.579 1.947 0.850 0.914 0.955 0.818 CA 1.429 23 residues pruned to eliminate duplicates Z: 18 23.922 1.976 0.692 0.946 1.000 0.588 CB 1.200 18 residues pruned to eliminate duplicates Z: 17 20.364 1.894 0.761 0.718 0.812 0.500 CB 1.542 17 residues pruned to eliminate duplicates Z: 30 48.202 2.055 1.068 0.929 1.000 0.724 CA 1.474 30 residues pruned to eliminate duplicates Z: 22 28.075 1.876 0.779 0.908 1.000 0.714 CB 1.304 16 residues pruned to eliminate duplicates Z: 27 27.399 2.061 0.500 0.905 0.962 0.923 CB 1.287 27 residues pruned to eliminate duplicates Z: 37 45.306 1.917 1.052 0.903 0.972 0.639 CB 1.407 35 residues pruned to eliminate duplicates Z: 30 44.870 2.094 0.776 0.947 1.000 0.931 CA 1.548 30 residues pruned to eliminate duplicates Z: 12 23.420 1.992 0.785 0.888 1.000 0.636 CB 1.430 12 residues pruned to eliminate duplicates Z: 28 51.031 2.150 1.174 0.954 0.963 0.667 CB 1.501 28 residues pruned to eliminate duplicates Z: 29 29.873 1.892 0.549 0.892 1.000 0.857 CA 1.384 29 residues pruned to eliminate duplicates Z: 27 33.573 2.050 0.687 0.917 0.962 0.692 CB 1.397 27 residues pruned to eliminate duplicates Z: 27 31.911 2.060 0.836 0.925 0.923 0.500 CB 1.258 28 residues pruned to eliminate duplicates Z: 30 37.340 2.086 0.703 0.932 0.931 0.793 CB 1.465 30 residues pruned to eliminate duplicates Z: 25 34.403 1.978 0.849 0.926 0.917 0.667 CB 1.469 25 residues pruned to eliminate duplicates Z: 13 19.472 1.863 0.768 0.900 0.917 0.750 CA 1.330 13 residues pruned to eliminate duplicates Z: 35 27.285 1.737 0.495 0.927 0.971 0.941 CB 1.301 22 residues pruned to eliminate duplicates Z: 19 21.905 2.016 0.811 0.860 0.833 0.500 CB 1.248 19 residues pruned to eliminate duplicates Z: 34 41.765 1.945 1.083 0.880 0.939 0.727 CA 1.384 34 residues pruned to eliminate duplicates Z: 31 36.687 2.022 0.638 0.937 0.967 0.800 CB 1.456 31 residues pruned to eliminate duplicates Z: 31 42.215 2.056 0.886 0.919 0.967 0.767 CB 1.449 32 residues pruned to eliminate duplicates Z: 21 31.613 1.972 0.938 0.899 0.950 0.450 CB 1.391 21 residues pruned to eliminate duplicates Z: 25 34.206 2.002 0.605 0.920 0.958 0.917 CB 1.596 29 residues pruned to eliminate duplicates Z: 29 48.352 2.093 1.013 0.956 1.000 0.714 CB 1.490 29 residues pruned to eliminate duplicates Z: 26 39.494 1.987 0.765 0.923 1.000 0.640 CB 1.583 25 residues pruned to eliminate duplicates Z: 13 17.636 1.687 0.933 0.903 0.917 0.667 CA 1.215 13 residues pruned to eliminate duplicates Z: 16 19.551 1.764 0.830 0.901 1.000 0.600 CB 1.116 13 residues pruned to eliminate duplicates Z: 9 13.534 1.734 0.448 0.913 1.000 0.875 CB 1.349 9 residues pruned to eliminate duplicates Z: 30 35.511 2.032 0.627 0.921 1.000 0.897 CA 1.404 30 residues pruned to eliminate duplicates Z: 6 2.599 1.535 0.738 0.351 0.800 0.400 N 0.640 Z: 26 33.868 2.010 0.544 0.946 1.000 0.800 CA 1.509 27 residues pruned to eliminate duplicates Z: 37 46.173 1.919 1.054 0.917 1.000 0.556 CA 1.377 37 residues pruned to eliminate duplicates Z: 31 30.125 2.034 0.471 0.906 0.933 0.733 CB 1.401 31 residues pruned to eliminate duplicates Z: 29 39.414 1.924 1.037 0.860 0.964 0.571 CB 1.450 30 residues pruned to eliminate duplicates Z: 21 28.005 1.928 0.854 0.896 0.950 0.650 CA 1.321 21 residues pruned to eliminate duplicates Z: 37 28.283 1.958 0.398 0.933 0.944 0.917 CA 1.273 37 residues pruned to eliminate duplicates Z: 35 43.950 1.931 1.008 0.924 1.000 0.824 CA 1.365 35 residues pruned to eliminate duplicates Z: 24 25.295 2.153 0.215 0.918 1.000 0.957 CB 1.423 24 residues pruned to eliminate duplicates Z: 9 4.765 1.885 0.518 0.518 0.625 0.500 CB 0.926 9 residues pruned to eliminate duplicates Z: 27 33.228 1.985 0.529 0.904 1.000 0.769 CA 1.529 27 residues pruned to eliminate duplicates Z: 30 48.883 2.107 0.958 0.943 1.000 0.862 CA 1.524 30 residues pruned to eliminate duplicates Z: 34 38.309 1.942 0.901 0.901 1.000 0.758 CA 1.289 34 residues pruned to eliminate duplicates Z: 7 12.338 1.947 0.404 0.855 1.000 1.000 CA 1.360 7 residues pruned to eliminate duplicates Z: 31 27.144 2.009 0.620 0.943 0.933 0.667 CB 1.130 21 residues pruned to eliminate duplicates Z: 31 28.146 2.058 0.480 0.952 0.967 0.800 CB 1.202 31 residues pruned to eliminate duplicates Z: 36 32.360 1.778 0.659 0.922 1.000 0.857 CB 1.304 36 residues pruned to eliminate duplicates Z: 36 23.586 1.924 0.094 0.918 0.971 0.857 CB 1.375 34 residues pruned to eliminate duplicates Z: 26 26.314 1.954 0.463 0.898 0.920 0.840 CA 1.432 26 residues pruned to eliminate duplicates Z: 51 34.584 1.927 0.487 0.837 0.960 0.720 CB 1.330 54 residues pruned to eliminate duplicates Z: 20 44.035 2.094 1.300 0.945 1.000 0.789 CB 1.451 21 residues pruned to eliminate duplicates Z: 32 27.468 1.862 0.538 0.665 0.935 0.710 CA 1.580 16 residues pruned to eliminate duplicates Z: 30 33.563 1.881 0.728 0.924 0.966 0.897 CA 1.395 30 residues pruned to eliminate duplicates Z: 68 40.654 1.789 0.681 0.925 0.955 0.612 CB 1.213 86 residues pruned to eliminate duplicates Z: 23 25.189 1.829 0.789 0.833 0.909 0.727 CA 1.355 Z: 34 30.855 1.828 0.728 0.903 1.000 0.697 CB 1.212 34 residues pruned to eliminate duplicates Z: 30 42.107 2.058 0.816 0.948 1.000 0.828 CB 1.445 30 residues pruned to eliminate duplicates Z: 19 20.968 2.028 0.365 0.864 0.944 0.833 CB 1.385 19 residues pruned to eliminate duplicates Z: 24 30.684 1.977 0.627 0.894 1.000 0.609 CB 1.427 24 residues pruned to eliminate duplicates Z: 27 27.077 1.885 0.904 0.859 0.846 0.615 CB 1.287 27 residues pruned to eliminate duplicates Z: 19 25.843 1.880 0.851 0.866 0.944 0.500 CB 1.357 20 residues pruned to eliminate duplicates Z: 37 41.465 1.965 1.030 0.933 0.972 0.500 CB 1.244 37 residues pruned to eliminate duplicates Z: 28 34.019 1.938 0.797 0.893 0.963 0.667 CB 1.402 28 residues pruned to eliminate duplicates Z: 22 23.965 1.885 0.974 0.905 0.810 0.619 CB 1.236 22 residues pruned to eliminate duplicates Z: 27 26.193 1.802 0.739 0.919 1.000 0.846 CA 1.155 26 residues pruned to eliminate duplicates Z: 34 32.967 1.967 0.658 0.906 1.000 0.879 CA 1.252 34 residues pruned to eliminate duplicates Z: 30 38.727 2.095 0.612 0.951 0.966 0.793 CB 1.520 30 residues pruned to eliminate duplicates Z: 30 38.948 2.063 0.838 0.953 1.000 0.828 CB 1.313 30 residues pruned to eliminate duplicates Z: 24 28.529 1.766 0.781 0.930 1.000 0.870 CA 1.323 24 residues pruned to eliminate duplicates Z: 23 37.559 1.985 1.165 0.915 0.955 0.636 CB 1.380 23 residues pruned to eliminate duplicates Z: 20 21.364 1.899 0.769 0.866 0.895 0.684 CB 1.194 20 residues pruned to eliminate duplicates Z: 23 34.513 1.986 0.942 0.916 0.955 0.818 CB 1.411 23 residues pruned to eliminate duplicates Z: 26 24.175 1.831 0.934 0.901 0.880 0.680 CB 1.108 20 residues pruned to eliminate duplicates Z: 22 16.927 1.623 0.645 0.878 0.905 0.619 CB 1.109 Z: 11 16.996 1.798 0.469 0.806 1.000 0.600 CA 1.559 11 residues pruned to eliminate duplicates Z: 38 42.035 1.971 1.134 0.925 0.973 0.514 CB 1.185 38 residues pruned to eliminate duplicates Z: 27 29.186 1.926 0.648 0.918 0.962 0.846 CB 1.323 27 residues pruned to eliminate duplicates Z: 21 19.620 1.664 0.518 0.866 1.000 0.800 CB 1.271 21 residues pruned to eliminate duplicates Z: 25 23.080 1.725 0.610 0.915 1.000 0.833 CA 1.199 25 residues pruned to eliminate duplicates Z: 25 23.994 1.741 0.677 0.923 1.000 0.875 CB 1.179 25 residues pruned to eliminate duplicates Z: 29 27.265 1.778 0.682 0.894 0.929 0.786 CB 1.331 29 residues pruned to eliminate duplicates Z: 19 26.421 1.871 0.937 0.887 0.944 0.611 CB 1.312 18 residues pruned to eliminate duplicates Z: 6 7.038 1.810 0.370 0.700 1.000 0.800 CA 1.058 6 residues pruned to eliminate duplicates Z: 29 23.085 1.670 0.617 0.916 0.929 0.679 CB 1.229 29 residues pruned to eliminate duplicates Z: 6 4.186 1.686 0.517 0.400 0.800 0.600 CB 1.017 Z: 36 30.874 1.961 0.507 0.941 0.943 0.800 CA 1.299 36 residues pruned to eliminate duplicates Z: 18 16.237 1.766 0.436 0.894 0.882 0.706 CA 1.263 18 residues pruned to eliminate duplicates Z: 40 32.641 1.871 0.623 0.910 1.000 0.821 CA 1.221 40 residues pruned to eliminate duplicates Z: 9 10.661 1.612 0.344 0.903 1.000 1.000 CA 1.240 Z: 18 19.099 1.933 0.313 0.883 0.882 0.824 CB 1.495 18 residues pruned to eliminate duplicates Z: 28 32.183 1.928 0.540 0.909 1.000 0.889 CB 1.481 28 residues pruned to eliminate duplicates Z: 24 24.946 1.796 0.648 0.926 0.957 0.826 CA 1.288 24 residues pruned to eliminate duplicates Z: 34 36.195 1.950 0.791 0.900 1.000 0.879 CA 1.289 34 residues pruned to eliminate duplicates Z: 24 23.835 1.707 0.744 0.918 0.913 0.696 CA 1.290 24 residues pruned to eliminate duplicates Z: 28 28.651 1.949 0.498 0.903 1.000 0.926 CA 1.346 29 residues pruned to eliminate duplicates Z: 17 15.822 1.631 0.482 0.915 1.000 0.812 CB 1.157 Z: 29 35.905 1.951 0.766 0.899 1.000 0.750 CA 1.408 28 residues pruned to eliminate duplicates Z: 30 33.344 2.046 0.493 0.930 1.000 0.931 CA 1.418 29 residues pruned to eliminate duplicates Z: 30 46.242 2.047 0.931 0.944 1.000 0.690 CB 1.504 30 residues pruned to eliminate duplicates Z: 29 49.339 2.121 0.986 0.947 1.000 0.929 CA 1.530 30 residues pruned to eliminate duplicates Z: 29 21.452 1.628 0.414 0.925 0.964 0.750 CB 1.281 28 residues pruned to eliminate duplicates Z: 6 4.640 2.019 -0.361 0.892 1.000 1.000 CB 1.155 6 residues pruned to eliminate duplicates Z: 19 22.003 1.890 0.534 0.877 0.944 0.889 CA 1.376 19 residues pruned to eliminate duplicates Z: 19 23.080 1.845 0.686 0.898 1.000 0.611 CB 1.251 19 residues pruned to eliminate duplicates Z: 23 24.902 1.779 0.690 0.917 0.955 0.864 CA 1.305 23 residues pruned to eliminate duplicates Z: 20 17.870 1.598 0.695 0.803 1.000 0.632 CB 1.162 20 residues pruned to eliminate duplicates Z: 37 23.797 1.729 0.431 0.876 0.944 0.694 CB 1.234 37 residues pruned to eliminate duplicates Z: 18 20.746 1.898 0.870 0.876 0.824 0.588 CB 1.251 18 residues pruned to eliminate duplicates Z: 27 28.023 2.022 0.865 0.913 0.885 0.385 CB 1.166 27 residues pruned to eliminate duplicates Z: 22 20.376 1.630 0.572 0.898 1.000 0.524 CB 1.242 23 residues pruned to eliminate duplicates Z: 29 32.271 2.066 0.583 0.912 0.964 0.893 CA 1.370 29 residues pruned to eliminate duplicates Z: 28 27.516 2.008 0.743 0.933 0.889 0.630 CB 1.188 28 residues pruned to eliminate duplicates Z: 37 43.927 1.994 1.046 0.946 1.000 0.639 CB 1.242 37 residues pruned to eliminate duplicates Z: 26 24.555 1.663 0.716 0.917 1.000 0.600 CB 1.215 17 residues pruned to eliminate duplicates Z: 30 37.781 2.072 0.659 0.944 1.000 0.828 CA 1.414 30 residues pruned to eliminate duplicates Z: 19 15.610 1.601 0.391 0.902 1.000 0.889 CB 1.178 9 residues pruned to eliminate duplicates Z: 24 22.539 1.695 0.563 0.872 1.000 0.696 CA 1.292 24 residues pruned to eliminate duplicates Z: 24 23.204 1.671 0.777 0.909 0.913 0.522 CB 1.266 24 residues pruned to eliminate duplicates Z: 11 15.387 1.951 0.285 0.800 1.000 0.600 CA 1.493 11 residues pruned to eliminate duplicates Z: 19 23.559 1.771 0.839 0.869 0.944 0.667 CB 1.319 19 residues pruned to eliminate duplicates Z: 19 23.727 2.056 0.434 0.929 0.944 0.944 CB 1.404 19 residues pruned to eliminate duplicates Z: 52 51.928 2.038 0.833 0.869 0.980 0.667 CA 1.451 89 residues pruned to eliminate duplicates Z: 10 2.448 1.635 0.220 0.237 0.556 0.222 CB 0.999 Z: 30 41.336 2.084 0.847 0.917 0.966 0.828 CA 1.458 30 residues pruned to eliminate duplicates Z: 26 21.084 1.559 0.707 0.924 1.000 0.760 CA 1.113 18 residues pruned to eliminate duplicates Z: 31 24.781 1.733 0.874 0.915 0.967 0.467 CB 1.018 26 residues pruned to eliminate duplicates Z: 24 25.457 1.774 0.773 0.894 0.957 0.652 CA 1.266 24 residues pruned to eliminate duplicates Z: 28 26.981 1.968 0.540 0.943 0.926 0.889 CB 1.283 28 residues pruned to eliminate duplicates Z: 22 33.625 1.971 1.052 0.881 1.000 0.667 CB 1.314 22 residues pruned to eliminate duplicates Z: 23 21.604 1.817 0.597 0.838 0.955 0.773 CB 1.243 23 residues pruned to eliminate duplicates Z: 8 12.192 1.647 0.691 0.894 1.000 1.000 CB 1.187 8 residues pruned to eliminate duplicates Z: 23 21.831 1.757 0.617 0.903 0.909 0.682 CA 1.284 23 residues pruned to eliminate duplicates Z: 18 24.802 1.966 0.698 0.957 1.000 0.647 CA 1.237 18 residues pruned to eliminate duplicates 6 0.894 1.586 0.152 0.829 0.800 0.800 CB 0.206 ? Z: 24 22.348 1.698 0.625 0.896 0.957 0.783 CA 1.265 24 residues pruned to eliminate duplicates Z: 36 26.366 1.785 0.512 0.902 0.943 0.829 CB 1.249 36 residues pruned to eliminate duplicates Z: 14 19.301 1.869 0.587 0.880 1.000 0.923 CB 1.308 14 residues pruned to eliminate duplicates Z: 29 50.224 2.115 0.989 0.961 1.000 0.821 CA 1.544 29 residues pruned to eliminate duplicates Z: 29 30.383 1.900 0.487 0.925 1.000 0.893 CB 1.426 29 residues pruned to eliminate duplicates Z: 37 33.345 1.805 0.733 0.922 1.000 0.833 CB 1.249 37 residues pruned to eliminate duplicates Z: 11 16.818 1.846 0.644 0.893 1.000 0.700 CA 1.258 11 residues pruned to eliminate duplicates Z: 31 26.889 1.833 0.430 0.914 0.967 0.733 CA 1.370 30 residues pruned to eliminate duplicates Z: 18 19.531 1.635 0.621 0.916 1.000 0.941 CB 1.263 18 residues pruned to eliminate duplicates Z: 30 34.220 2.049 0.455 0.918 0.966 0.828 CB 1.557 30 residues pruned to eliminate duplicates Z: 9 14.603 1.816 0.935 0.795 1.000 0.500 CB 1.135 9 residues pruned to eliminate duplicates Z: 24 21.238 1.756 0.505 0.854 0.957 0.913 CA 1.294 24 residues pruned to eliminate duplicates Z: 30 37.223 2.070 0.634 0.941 1.000 0.862 CB 1.418 30 residues pruned to eliminate duplicates Z: 25 18.982 1.700 0.457 0.915 0.958 0.792 CB 1.154 25 residues pruned to eliminate duplicates Z: 20 20.007 1.687 0.416 0.917 1.000 0.895 CB 1.355 20 residues pruned to eliminate duplicates Z: 18 17.482 1.658 0.554 0.851 0.941 0.529 CB 1.295 Z: 26 28.404 1.694 0.859 0.934 1.000 0.800 CB 1.258 26 residues pruned to eliminate duplicates Z: 6 3.037 1.341 0.181 0.482 1.000 0.600 N 0.873 Z: 21 19.072 1.849 0.694 0.861 0.900 0.750 CB 1.111 21 residues pruned to eliminate duplicates Z: 7 10.169 1.841 0.208 0.884 1.000 0.833 CB 1.348 7 residues pruned to eliminate duplicates Z: 21 22.624 1.764 0.718 0.854 1.000 0.900 CA 1.233 21 residues pruned to eliminate duplicates Z: 27 17.310 1.619 0.833 0.864 0.885 0.462 CB 0.948 22 residues pruned to eliminate duplicates Z: 37 33.376 1.796 0.693 0.926 0.972 0.833 CA 1.320 37 residues pruned to eliminate duplicates Z: 37 28.754 1.760 0.617 0.903 0.972 0.611 CB 1.235 37 residues pruned to eliminate duplicates Z: 8 8.239 1.327 0.569 0.849 1.000 0.857 O 1.109 Z: 36 38.836 2.028 0.711 0.946 0.971 0.629 CB 1.348 36 residues pruned to eliminate duplicates Z: 26 34.043 1.986 0.642 0.920 0.960 0.800 CB 1.532 26 residues pruned to eliminate duplicates Z: 23 29.024 1.988 0.589 0.905 1.000 0.909 CB 1.394 23 residues pruned to eliminate duplicates Z: 31 17.675 1.606 0.528 0.874 0.933 0.667 CB 1.026 18 residues pruned to eliminate duplicates Z: 35 32.825 2.019 0.664 0.949 0.971 0.794 CB 1.191 35 residues pruned to eliminate duplicates Z: 28 38.562 1.957 0.839 0.935 0.963 0.778 CA 1.492 26 residues pruned to eliminate duplicates Z: 6 5.261 1.699 0.502 0.509 0.800 0.600 CB 1.142 6 residues pruned to eliminate duplicates Z: 28 27.498 1.911 0.623 0.860 0.926 0.815 CA 1.355 28 residues pruned to eliminate duplicates Z: 21 12.593 1.766 0.576 0.547 0.800 0.450 CB 1.209 22 residues pruned to eliminate duplicates Z: 6 13.099 1.665 0.802 0.822 1.000 0.800 N 1.477 6 residues pruned to eliminate duplicates Z: 35 28.704 2.008 0.496 0.896 0.941 0.824 CB 1.248 35 residues pruned to eliminate duplicates Z: 22 30.284 2.012 0.715 0.930 1.000 0.714 CA 1.340 22 residues pruned to eliminate duplicates Z: 26 25.032 1.677 0.769 0.907 1.000 0.800 CB 1.200 26 residues pruned to eliminate duplicates Z: 24 16.402 1.668 0.265 0.878 0.957 0.826 CB 1.229 24 residues pruned to eliminate duplicates Z: 21 15.533 1.620 0.362 0.900 0.950 0.750 CB 1.184 21 residues pruned to eliminate duplicates Z: 16 9.696 1.663 0.554 0.593 0.800 0.533 CB 1.108 16 residues pruned to eliminate duplicates 8 1.515 1.399 0.358 0.212 0.571 0.571 CB 0.741 ? Z: 12 12.705 1.628 0.545 0.892 1.000 0.636 CB 1.095 12 residues pruned to eliminate duplicates Z: 30 30.634 1.996 0.503 0.917 0.966 0.862 CA 1.386 30 residues pruned to eliminate duplicates Z: 31 35.096 2.051 0.769 0.908 0.967 0.767 CB 1.297 31 residues pruned to eliminate duplicates Z: 28 31.599 1.934 0.742 0.867 0.926 0.556 CB 1.426 28 residues pruned to eliminate duplicates Z: 9 10.035 1.474 0.556 0.921 1.000 0.875 CB 1.088 9 residues pruned to eliminate duplicates Z: 35 31.820 1.953 0.838 0.918 0.912 0.529 CB 1.176 36 residues pruned to eliminate duplicates Z: 28 25.081 1.933 0.844 0.889 0.852 0.370 CB 1.145 28 residues pruned to eliminate duplicates Z: 34 31.109 2.030 0.586 0.941 0.970 0.727 CB 1.204 34 residues pruned to eliminate duplicates Z: 19 26.464 1.918 0.910 0.920 0.889 0.611 CB 1.349 19 residues pruned to eliminate duplicates Z: 27 23.255 1.684 0.533 0.909 1.000 0.808 CB 1.253 27 residues pruned to eliminate duplicates Z: 31 22.164 1.629 0.421 0.888 1.000 0.833 CB 1.260 31 residues pruned to eliminate duplicates Z: 35 31.192 2.004 0.752 0.946 0.941 0.647 CB 1.120 35 residues pruned to eliminate duplicates Z: 7 2.606 1.673 0.199 0.392 0.667 0.667 CB 0.891 7 residues pruned to eliminate duplicates Z: 7 2.434 1.616 0.022 0.634 0.833 0.500 CB 0.637 Z: 8 6.106 1.422 0.087 0.858 0.857 0.714 CB 1.282 8 residues pruned to eliminate duplicates Z: 8 4.221 1.777 0.187 0.514 0.857 0.571 CB 0.871 Z: 16 16.380 1.769 0.465 0.927 1.000 1.000 CB 1.144 16 residues pruned to eliminate duplicates Z: 19 17.288 1.570 0.947 0.884 0.889 0.611 CB 1.084 19 residues pruned to eliminate duplicates Z: 9 9.562 1.443 0.623 0.813 1.000 0.625 CA 1.100 Z: 18 18.523 1.639 0.598 0.912 1.000 0.941 CA 1.215 18 residues pruned to eliminate duplicates Z: 17 17.464 1.614 0.577 0.900 1.000 0.938 CB 1.225 16 residues pruned to eliminate duplicates Z: 52 54.076 2.073 0.750 0.833 1.000 0.824 CA 1.565 52 residues pruned to eliminate duplicates Z: 23 20.835 1.801 0.694 0.873 0.955 0.727 CB 1.111 23 residues pruned to eliminate duplicates Z: 38 37.258 1.923 0.812 0.936 1.000 0.838 CA 1.224 38 residues pruned to eliminate duplicates Z: 6 4.406 1.291 0.872 0.860 1.000 1.000 CB 0.599 Z: 8 2.363 1.430 -0.080 0.256 0.857 0.429 O 1.048 Z: 8 3.005 1.518 0.334 0.317 0.857 0.571 CB 0.801 Z: 34 35.002 2.037 0.759 0.934 0.970 0.758 CB 1.223 34 residues pruned to eliminate duplicates Z: 26 28.286 1.694 0.831 0.930 1.000 0.800 CB 1.276 26 residues pruned to eliminate duplicates Z: 11 10.406 1.511 0.233 0.853 1.000 0.700 O 1.305 9 residues pruned to eliminate duplicates Z: 35 28.779 1.996 0.333 0.935 0.971 0.824 CA 1.331 35 residues pruned to eliminate duplicates Z: 24 18.170 1.602 0.570 0.885 0.913 0.652 CB 1.191 24 residues pruned to eliminate duplicates Z: 24 34.370 2.109 0.697 0.916 1.000 0.783 CB 1.415 24 residues pruned to eliminate duplicates Z: 17 9.092 1.454 0.409 0.845 1.000 0.750 CB 0.825 17 residues pruned to eliminate duplicates Z: 32 28.691 1.941 0.349 0.915 1.000 0.806 CB 1.391 32 residues pruned to eliminate duplicates Z: 38 36.819 1.930 0.759 0.920 1.000 0.757 CA 1.256 38 residues pruned to eliminate duplicates Z: 23 22.975 1.787 0.518 0.935 1.000 0.909 CA 1.259 23 residues pruned to eliminate duplicates Z: 16 16.435 2.052 0.332 0.709 0.867 0.733 CA 1.482 16 residues pruned to eliminate duplicates Z: 23 18.606 1.602 0.770 0.847 0.955 0.591 CB 1.088 23 residues pruned to eliminate duplicates Z: 18 18.467 1.608 0.827 0.920 1.000 0.706 CB 1.074 18 residues pruned to eliminate duplicates Z: 26 22.549 1.682 0.540 0.899 1.000 0.720 CB 1.244 26 residues pruned to eliminate duplicates Z: 24 22.061 1.995 0.442 0.619 0.913 0.609 CB 1.565 24 residues pruned to eliminate duplicates Z: 11 4.749 1.505 0.206 0.473 1.000 0.300 CB 0.850 Z: 18 23.048 1.922 0.630 0.832 0.882 0.765 CA 1.517 18 residues pruned to eliminate duplicates Z: 27 19.783 1.536 0.505 0.931 0.962 0.769 CB 1.219 26 residues pruned to eliminate duplicates Z: 10 7.092 1.474 0.819 0.854 0.889 0.667 CB 0.733 10 residues pruned to eliminate duplicates Z: 10 14.373 1.681 0.567 0.843 1.000 0.889 CA 1.355 9 residues pruned to eliminate duplicates Z: 6 9.362 1.601 0.724 0.827 1.000 0.800 CA 1.143 4 residues pruned to eliminate duplicates Z: 37 40.476 2.070 0.677 0.788 0.972 0.722 CA 1.552 37 residues pruned to eliminate duplicates Z: 9 6.863 1.507 0.248 0.861 0.875 0.750 CB 1.083 9 residues pruned to eliminate duplicates Z: 37 28.958 1.799 0.609 0.898 0.972 0.694 CB 1.226 37 residues pruned to eliminate duplicates Z: 39 46.392 1.905 1.016 0.922 1.000 0.763 CA 1.379 39 residues pruned to eliminate duplicates Z: 27 36.454 1.981 1.081 0.907 0.962 0.654 CB 1.282 27 residues pruned to eliminate duplicates Z: 27 36.261 1.979 0.770 0.892 1.000 0.654 CB 1.458 27 residues pruned to eliminate duplicates Z: 28 32.450 1.942 0.617 0.910 0.926 0.889 CB 1.524 28 residues pruned to eliminate duplicates Z: 53 47.269 2.102 0.713 0.791 0.962 0.808 CA 1.467 49 residues pruned to eliminate duplicates Z: 8 8.127 1.458 0.370 0.899 1.000 1.000 N 1.099 10 residues pruned to eliminate duplicates Z: 10 6.989 1.574 0.431 0.858 0.889 0.667 CB 0.857 6 residues pruned to eliminate duplicates Z: 38 26.865 1.782 0.614 0.846 0.946 0.649 CB 1.206 38 residues pruned to eliminate duplicates Z: 11 3.787 1.581 0.348 0.239 0.700 0.400 CB 1.086 11 residues pruned to eliminate duplicates Z: 18 18.988 1.811 0.560 0.939 0.941 0.706 CB 1.203 18 residues pruned to eliminate duplicates Z: 15 15.903 1.649 0.631 0.847 0.929 0.857 CB 1.263 15 residues pruned to eliminate duplicates Z: 30 40.515 1.900 1.012 0.897 1.000 0.586 CA 1.408 29 residues pruned to eliminate duplicates Z: 34 31.508 1.963 0.573 0.933 0.970 0.727 CB 1.279 34 residues pruned to eliminate duplicates Z: 20 17.251 1.492 0.872 0.819 1.000 0.316 CA 1.074 20 residues pruned to eliminate duplicates Z: 11 7.377 1.568 0.473 0.859 0.900 0.500 CB 0.826 11 residues pruned to eliminate duplicates Z: 38 34.604 1.921 0.716 0.903 1.000 0.703 CA 1.230 38 residues pruned to eliminate duplicates Z: 6 3.935 1.363 0.747 0.515 1.000 0.600 CB 0.728 7 residues pruned to eliminate duplicates Z: 25 18.587 1.724 0.472 0.865 0.958 0.792 CB 1.143 25 residues pruned to eliminate duplicates Z: 10 10.880 1.542 0.448 0.870 0.889 0.778 O 1.334 9 residues pruned to eliminate duplicates Z: 6 3.670 1.509 0.654 0.289 1.000 0.800 CB 0.834 Z: 26 23.462 1.713 0.524 0.927 1.000 0.920 CB 1.259 26 residues pruned to eliminate duplicates Z: 37 28.695 1.808 0.465 0.914 1.000 0.722 CB 1.277 37 residues pruned to eliminate duplicates Z: 23 21.046 1.893 0.467 0.760 0.909 0.773 CA 1.410 23 residues pruned to eliminate duplicates Z: 64 53.269 1.983 0.877 0.814 0.968 0.698 CB 1.418 32 residues pruned to eliminate duplicates Z: 35 29.005 1.967 0.918 0.920 0.882 0.471 CB 1.053 35 residues pruned to eliminate duplicates Z: 6 3.296 1.481 0.767 0.297 0.800 0.600 CB 0.883 Z: 26 30.973 1.985 0.495 0.918 0.960 0.880 CA 1.534 26 residues pruned to eliminate duplicates Z: 25 34.624 1.976 0.837 0.901 1.000 0.833 CA 1.389 25 residues pruned to eliminate duplicates Z: 14 11.012 1.482 0.732 0.851 0.846 0.615 CB 1.041 14 residues pruned to eliminate duplicates Z: 20 12.328 1.505 0.312 0.910 1.000 0.842 CB 1.016 20 residues pruned to eliminate duplicates Z: 32 33.379 1.986 0.747 0.885 0.968 0.774 CB 1.289 32 residues pruned to eliminate duplicates Z: 6 2.806 1.443 0.536 0.285 1.000 0.600 N 0.722 Z: 27 20.005 1.649 0.835 0.887 0.962 0.500 CB 0.972 27 residues pruned to eliminate duplicates Z: 34 37.336 1.905 0.918 0.868 0.939 0.788 CA 1.384 34 residues pruned to eliminate duplicates Z: 9 11.587 2.142 0.271 0.785 0.875 0.750 CA 1.339 9 residues pruned to eliminate duplicates Z: 25 17.524 1.717 0.358 0.915 0.958 0.958 CA 1.132 25 residues pruned to eliminate duplicates Z: 28 38.066 2.166 0.665 0.901 1.000 0.926 CA 1.450 28 residues pruned to eliminate duplicates Z: 22 21.429 1.860 0.810 0.787 0.810 0.524 CA 1.333 22 residues pruned to eliminate duplicates Z: 37 40.799 1.874 1.015 0.913 1.000 0.750 CA 1.274 37 residues pruned to eliminate duplicates Z: 44 23.554 1.729 0.629 0.638 0.907 0.628 CB 1.236 47 residues pruned to eliminate duplicates Z: 16 16.280 1.649 0.535 0.913 1.000 0.867 CB 1.176 16 residues pruned to eliminate duplicates Z: 8 8.773 1.605 0.490 0.581 1.000 0.857 CB 1.282 8 residues pruned to eliminate duplicates Z: 8 6.616 1.427 0.427 0.856 1.000 0.714 CA 0.905 8 residues pruned to eliminate duplicates Z: 7 2.616 1.568 0.572 0.219 0.667 0.333 CB 0.904 Z: 56 44.501 2.021 0.665 0.797 0.909 0.673 CB 1.513 56 residues pruned to eliminate duplicates Z: 27 26.112 2.017 0.573 0.912 0.962 0.692 CB 1.189 27 residues pruned to eliminate duplicates Z: 30 38.580 2.058 0.697 0.915 1.000 0.724 CA 1.450 30 residues pruned to eliminate duplicates Z: 6 3.169 1.537 0.458 0.463 0.600 0.600 CB 1.095 Z: 18 17.602 1.757 0.723 0.581 0.941 0.588 N 1.386 18 residues pruned to eliminate duplicates Z: 55 41.653 1.960 0.800 0.847 0.963 0.648 CB 1.238 55 residues pruned to eliminate duplicates Z: 36 28.087 1.664 0.868 0.945 0.943 0.714 CB 1.121 33 residues pruned to eliminate duplicates Z: 11 17.553 1.904 0.803 0.926 0.900 0.700 CB 1.259 11 residues pruned to eliminate duplicates Z: 26 29.482 1.928 0.856 0.747 0.960 0.560 CB 1.376 26 residues pruned to eliminate duplicates Z: 19 17.362 1.593 0.571 0.925 1.000 0.778 CB 1.148 19 residues pruned to eliminate duplicates Z: 29 29.300 1.879 0.530 0.901 0.929 0.821 CB 1.481 29 residues pruned to eliminate duplicates Z: 6 3.864 1.442 0.070 0.799 1.000 0.200 CB 0.862 6 residues pruned to eliminate duplicates Z: 9 2.053 1.243 -0.031 0.398 0.750 0.250 CB 0.895 6 residues pruned to eliminate duplicates Z: 23 14.179 1.595 0.801 0.609 0.864 0.636 CB 1.099 23 residues pruned to eliminate duplicates Z: 8 7.074 1.308 0.589 0.860 1.000 0.857 CA 0.946 8 residues pruned to eliminate duplicates Z: 38 34.957 1.899 0.759 0.905 1.000 0.838 CA 1.224 38 residues pruned to eliminate duplicates Z: 7 2.149 1.416 0.187 0.236 0.833 0.500 N 0.851 Z: 6 3.246 1.582 1.143 0.100 0.600 0.200 CB 1.189 Z: 6 2.245 1.489 0.152 0.282 0.600 0.400 CB 1.247 7 residues pruned to eliminate duplicates Z: 57 33.961 1.984 0.736 0.749 0.946 0.643 CB 1.115 58 residues pruned to eliminate duplicates Z: 6 3.560 1.415 0.496 0.485 0.800 0.400 CB 0.954 Z: 8 2.957 1.372 0.741 0.251 0.857 0.429 CB 0.727 Z: 35 33.514 2.012 0.830 0.918 0.941 0.588 CB 1.169 35 residues pruned to eliminate duplicates Z: 38 26.074 1.920 0.513 0.637 0.919 0.730 CA 1.413 38 residues pruned to eliminate duplicates Z: 17 19.869 1.592 0.787 0.920 1.000 0.625 CA 1.230 17 residues pruned to eliminate duplicates 6 0.952 1.304 0.461 0.285 0.400 0.400 N 0.712 ? Z: 16 17.168 1.949 0.685 0.736 0.933 0.800 CB 1.170 16 residues pruned to eliminate duplicates Z: 30 20.588 1.627 0.385 0.891 1.000 0.793 CB 1.220 30 residues pruned to eliminate duplicates Z: 44 38.114 1.951 0.834 0.695 0.884 0.628 CA 1.538 44 residues pruned to eliminate duplicates Z: 10 17.238 2.026 0.779 0.850 1.000 0.556 CB 1.181 10 residues pruned to eliminate duplicates Z: 28 20.477 1.744 0.351 0.924 0.963 0.667 CB 1.220 28 residues pruned to eliminate duplicates Z: 12 3.786 1.485 0.366 0.289 0.727 0.273 CA 0.981 Z: 25 19.729 1.895 0.581 0.654 0.917 0.667 CB 1.271 25 residues pruned to eliminate duplicates Z: 29 37.774 1.920 0.941 0.890 0.964 0.643 CB 1.430 29 residues pruned to eliminate duplicates Z: 24 19.652 1.704 0.454 0.902 0.957 0.826 CA 1.233 24 residues pruned to eliminate duplicates Z: 6 4.575 1.688 -0.087 0.502 1.000 0.600 CB 1.327 Z: 16 12.697 1.513 0.738 0.859 0.933 0.533 CB 0.983 16 residues pruned to eliminate duplicates Z: 6 3.169 1.340 0.578 0.299 0.800 0.600 CB 1.048 6 1.525 1.430 0.685 0.100 0.400 0.400 N 1.180 ? Z: 7 2.175 1.333 0.928 0.157 0.667 0.333 CB 0.789 Z: 38 32.933 1.875 0.645 0.908 1.000 0.865 CA 1.247 38 residues pruned to eliminate duplicates Z: 23 23.422 1.781 0.699 0.910 1.000 0.727 CB 1.171 23 residues pruned to eliminate duplicates Z: 10 9.826 1.491 0.463 0.854 0.889 0.778 CB 1.247 10 residues pruned to eliminate duplicates Z: 25 25.286 1.722 0.791 0.889 1.000 0.833 CB 1.205 25 residues pruned to eliminate duplicates Z: 10 8.686 1.413 0.442 0.840 1.000 0.333 CB 1.061 5 residues pruned to eliminate duplicates Z: 11 12.644 1.931 0.818 0.596 0.700 0.300 CB 1.484 11 residues pruned to eliminate duplicates Z: 31 28.524 1.786 0.599 0.932 0.967 0.767 CB 1.317 31 residues pruned to eliminate duplicates Z: 16 16.323 1.578 0.707 0.855 0.933 0.867 CB 1.238 16 residues pruned to eliminate duplicates Z: 41 30.203 1.867 0.548 0.886 1.000 0.850 CA 1.192 41 residues pruned to eliminate duplicates Z: 6 4.807 1.493 0.793 0.603 1.000 1.000 CB 0.728 Z: 38 31.551 2.011 0.498 0.751 0.919 0.811 CB 1.498 38 residues pruned to eliminate duplicates Z: 10 6.051 1.566 0.475 0.389 0.889 0.778 N 1.105 10 residues pruned to eliminate duplicates Z: 26 26.052 1.710 0.766 0.903 1.000 0.840 CB 1.230 26 residues pruned to eliminate duplicates Z: 28 19.189 1.623 0.625 0.861 0.926 0.741 CB 1.111 28 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 27 30.597 2.005 0.656 0.798 0.923 0.692 CA 1.509 27 residues pruned to eliminate duplicates Z: 28 30.021 1.969 0.637 0.771 0.926 0.741 CA 1.523 28 residues pruned to eliminate duplicates Z: 26 30.959 2.019 0.582 0.800 0.960 0.800 CA 1.553 26 residues pruned to eliminate duplicates Z: 27 29.943 2.022 0.449 0.848 1.000 0.731 CA 1.486 27 residues pruned to eliminate duplicates Z: 30 26.318 1.949 0.510 0.733 0.931 0.793 CA 1.447 30 residues pruned to eliminate duplicates Z: 25 32.341 2.079 0.535 0.868 0.958 0.792 CA 1.578 25 residues pruned to eliminate duplicates Z: 29 37.257 1.944 0.737 0.923 1.000 0.857 CA 1.465 29 residues pruned to eliminate duplicates Z: 24 28.413 2.061 0.338 0.914 1.000 0.913 CA 1.520 24 residues pruned to eliminate duplicates Z: 21 29.620 2.080 0.612 0.857 1.000 0.900 CA 1.455 21 residues pruned to eliminate duplicates Z: 25 31.221 2.051 0.496 0.877 0.958 0.792 CA 1.574 25 residues pruned to eliminate duplicates Z: 30 32.144 1.951 0.640 0.757 0.966 0.724 CA 1.538 30 residues pruned to eliminate duplicates Z: 27 34.414 1.999 0.773 0.786 0.962 0.731 CB 1.539 27 residues pruned to eliminate duplicates Z: 26 33.523 2.035 0.778 0.815 0.920 0.760 CA 1.533 26 residues pruned to eliminate duplicates Z: 24 34.941 2.083 0.660 0.897 0.957 0.826 CA 1.576 24 residues pruned to eliminate duplicates Z: 27 32.024 2.017 0.664 0.812 0.962 0.654 CA 1.483 27 residues pruned to eliminate duplicates Z: 25 35.106 2.074 0.717 0.880 0.958 0.833 CA 1.522 25 residues pruned to eliminate duplicates Z: 31 30.930 1.954 0.594 0.753 0.933 0.767 CA 1.550 31 residues pruned to eliminate duplicates Z: 30 34.463 1.932 0.684 0.776 1.000 0.724 CA 1.542 30 residues pruned to eliminate duplicates Z: 50 42.985 1.952 0.650 0.799 0.959 0.857 CA 1.530 55 residues pruned to eliminate duplicates Z: 25 35.297 2.005 0.728 0.925 0.958 0.667 CA 1.523 25 residues pruned to eliminate duplicates Z: 29 32.184 1.989 0.646 0.792 0.929 0.786 CA 1.549 29 residues pruned to eliminate duplicates Z: 26 38.210 2.029 0.792 0.924 1.000 0.880 CA 1.476 26 residues pruned to eliminate duplicates Z: 27 39.809 1.994 0.782 0.943 1.000 0.846 CA 1.522 27 residues pruned to eliminate duplicates Z: 27 41.121 1.997 0.874 0.923 1.000 0.654 CA 1.515 27 residues pruned to eliminate duplicates Z: 28 38.165 1.940 0.813 0.931 1.000 0.630 CB 1.459 28 residues pruned to eliminate duplicates Z: 27 41.573 1.982 0.825 0.941 1.000 0.885 CB 1.564 27 residues pruned to eliminate duplicates 7 1.820 1.426 -0.085 0.398 0.833 0.333 CB 0.761 ? Z: 12 6.183 1.627 0.434 0.485 0.909 0.455 CB 0.893 12 residues pruned to eliminate duplicates Z: 6 4.057 1.581 0.018 0.578 1.000 0.600 CB 1.046 Z: 6 8.269 1.343 0.872 0.847 1.000 0.800 CB 1.092 7 residues pruned to eliminate duplicates Z: 13 7.762 1.308 0.346 0.909 1.000 0.917 CA 0.903 6 residues pruned to eliminate duplicates Z: 8 8.218 1.327 0.777 0.887 0.857 0.571 CA 1.109 8 residues pruned to eliminate duplicates Z: 11 4.023 1.490 0.094 0.565 0.800 0.400 CB 0.916 11 residues pruned to eliminate duplicates Z: 7 9.612 1.368 0.721 0.905 1.000 1.000 CA 1.186 7 residues pruned to eliminate duplicates Z: 14 10.130 1.354 0.348 0.910 1.000 0.692 CA 1.091 14 residues pruned to eliminate duplicates Z: 12 9.326 1.326 0.639 0.862 0.909 0.455 CA 1.044 12 residues pruned to eliminate duplicates Z: 7 5.446 1.317 0.465 0.821 0.833 0.833 CA 1.047 7 residues pruned to eliminate duplicates Z: 8 6.318 1.413 0.304 0.889 1.000 0.714 CB 0.933 7 residues pruned to eliminate duplicates Z: 7 7.255 1.353 0.610 0.889 1.000 0.833 CA 0.979 7 residues pruned to eliminate duplicates Z: 8 5.897 1.458 0.160 0.718 1.000 0.714 CB 1.082 6 residues pruned to eliminate duplicates Z: 7 5.281 1.293 0.350 0.851 1.000 0.833 CA 0.914 7 residues pruned to eliminate duplicates Z: 6 2.226 1.527 -0.322 0.764 0.800 0.400 CB 0.950 6 residues pruned to eliminate duplicates Z: 11 4.515 1.451 0.007 0.796 0.800 0.500 CB 0.943 8 residues pruned to eliminate duplicates Z: 13 6.665 1.329 0.421 0.840 0.833 0.667 CB 0.913 11 residues pruned to eliminate duplicates Z: 10 7.390 1.399 0.316 0.849 0.889 0.667 CB 1.115 10 residues pruned to eliminate duplicates Z: 6 2.520 1.166 0.406 0.588 0.800 0.200 C 0.789 6 residues pruned to eliminate duplicates Z: 58 55.221 2.059 0.945 0.857 0.947 0.684 CB 1.421 58 residues pruned to eliminate duplicates Z: 8 10.189 2.018 0.552 0.780 1.000 1.000 CB 0.961 8 residues pruned to eliminate duplicates Z: 61 57.222 2.012 1.035 0.854 0.967 0.700 CB 1.379 61 residues pruned to eliminate duplicates Z: 57 54.794 2.052 0.929 0.855 0.964 0.643 CB 1.415 57 residues pruned to eliminate duplicates Z: 51 38.712 2.052 0.570 0.802 0.960 0.840 CA 1.360 51 residues pruned to eliminate duplicates Z: 58 39.339 2.017 0.629 0.806 0.965 0.789 CA 1.259 16 residues pruned to eliminate duplicates Z: 38 36.703 1.903 0.793 0.895 1.000 0.784 CA 1.268 38 residues pruned to eliminate duplicates Z: 60 45.989 2.006 0.789 0.753 0.915 0.644 CA 1.455 57 residues pruned to eliminate duplicates Z: 38 36.364 1.930 0.781 0.913 0.973 0.730 CA 1.266 38 residues pruned to eliminate duplicates Z: 49 51.436 2.102 0.742 0.856 1.000 0.812 CA 1.495 49 residues pruned to eliminate duplicates Z: 53 47.782 2.053 0.770 0.810 0.942 0.769 CA 1.477 53 residues pruned to eliminate duplicates Z: 54 47.699 2.026 0.782 0.776 0.962 0.736 CA 1.478 54 residues pruned to eliminate duplicates Z: 40 47.293 2.035 0.857 0.839 0.974 0.872 CA 1.536 40 residues pruned to eliminate duplicates Z: 61 47.351 2.015 0.781 0.811 0.917 0.733 CA 1.418 61 residues pruned to eliminate duplicates Z: 49 47.306 2.036 0.803 0.832 0.979 0.771 CA 1.426 49 residues pruned to eliminate duplicates Z: 53 48.054 2.027 0.861 0.849 0.962 0.731 CA 1.362 53 residues pruned to eliminate duplicates Z: 63 52.632 1.995 0.852 0.792 0.984 0.581 CB 1.424 63 residues pruned to eliminate duplicates Z: 57 44.102 1.977 0.768 0.786 0.946 0.679 CA 1.385 57 residues pruned to eliminate duplicates Z: 53 46.204 2.009 0.816 0.815 0.942 0.692 CB 1.417 53 residues pruned to eliminate duplicates Z: 41 38.391 2.079 0.723 0.778 0.925 0.600 CA 1.434 41 residues pruned to eliminate duplicates Z: 53 45.935 2.008 0.768 0.866 1.000 0.827 CA 1.314 53 residues pruned to eliminate duplicates Z: 52 44.785 2.033 0.783 0.787 0.922 0.647 CA 1.459 52 residues pruned to eliminate duplicates Z: 39 40.475 2.098 0.788 0.800 0.895 0.684 CA 1.505 39 residues pruned to eliminate duplicates Z: 51 48.470 2.043 0.864 0.835 0.940 0.720 CA 1.435 51 residues pruned to eliminate duplicates Z: 36 38.019 1.904 0.953 0.902 0.971 0.829 CA 1.269 36 residues pruned to eliminate duplicates Z: 57 48.988 2.033 0.745 0.813 0.946 0.679 CA 1.485 57 residues pruned to eliminate duplicates Z: 42 39.510 2.026 0.828 0.803 0.927 0.659 CA 1.379 42 residues pruned to eliminate duplicates Z: 51 48.717 2.041 0.778 0.858 1.000 0.800 CA 1.398 51 residues pruned to eliminate duplicates Z: 53 51.799 2.039 0.881 0.806 0.942 0.692 CA 1.521 53 residues pruned to eliminate duplicates Z: 61 50.758 2.035 0.837 0.799 0.967 0.750 CA 1.396 61 residues pruned to eliminate duplicates Z: 52 51.538 2.062 0.774 0.851 1.000 0.804 CA 1.460 52 residues pruned to eliminate duplicates Z: 41 38.163 2.085 0.726 0.780 0.900 0.750 CA 1.456 41 residues pruned to eliminate duplicates Z: 54 46.907 2.018 0.852 0.819 0.962 0.717 CA 1.359 54 residues pruned to eliminate duplicates Z: 41 41.315 2.080 0.722 0.829 0.950 0.700 CA 1.444 41 residues pruned to eliminate duplicates Z: 42 44.856 2.065 0.833 0.789 0.976 0.707 CA 1.471 42 residues pruned to eliminate duplicates Z: 51 44.471 2.055 0.692 0.793 0.960 0.740 CA 1.458 51 residues pruned to eliminate duplicates Z: 69 44.936 1.981 0.684 0.738 0.926 0.721 CB 1.424 69 residues pruned to eliminate duplicates Z: 39 34.961 2.091 0.643 0.787 0.947 0.684 CA 1.354 39 residues pruned to eliminate duplicates Z: 43 40.202 2.070 0.638 0.798 0.952 0.690 CA 1.480 43 residues pruned to eliminate duplicates Z: 20 25.166 2.088 0.580 0.848 0.947 0.737 CA 1.371 20 residues pruned to eliminate duplicates Z: 56 60.302 2.092 0.896 0.861 1.000 0.745 CB 1.506 56 residues pruned to eliminate duplicates Z: 49 43.533 2.027 0.822 0.723 0.958 0.625 CB 1.452 49 residues pruned to eliminate duplicates Z: 54 41.395 2.014 0.853 0.724 0.906 0.660 CB 1.374 54 residues pruned to eliminate duplicates Z: 49 54.624 2.085 0.854 0.854 0.979 0.792 CB 1.538 21 residues pruned to eliminate duplicates Z: 21 30.506 2.028 0.965 0.921 0.900 0.550 CB 1.339 21 residues pruned to eliminate duplicates Z: 41 47.342 2.083 0.873 0.835 0.975 0.675 CB 1.474 41 residues pruned to eliminate duplicates Z: 51 54.828 2.061 0.987 0.825 0.960 0.540 CB 1.488 51 residues pruned to eliminate duplicates Z: 50 52.729 2.060 0.949 0.813 0.959 0.653 CB 1.490 51 residues pruned to eliminate duplicates Z: 26 29.775 2.111 0.684 0.938 0.880 0.640 CB 1.323 26 residues pruned to eliminate duplicates Z: 80 62.899 2.025 0.888 0.810 0.962 0.734 CA 1.469 149 residues pruned to eliminate duplicates Z: 28 32.843 1.998 0.719 0.941 0.963 0.815 CB 1.326 28 residues pruned to eliminate duplicates Z: 87 60.201 2.004 0.901 0.804 0.953 0.616 CB 1.371 87 residues pruned to eliminate duplicates Z: 57 56.497 2.082 0.863 0.841 0.982 0.714 CA 1.478 57 residues pruned to eliminate duplicates Z: 65 59.281 2.045 0.983 0.872 0.969 0.562 CB 1.374 65 residues pruned to eliminate duplicates Z: 13 15.233 1.751 1.056 0.787 0.917 0.750 CB 1.036 13 residues pruned to eliminate duplicates Z: 10 19.882 1.914 0.807 0.775 1.000 0.778 CB 1.503 Z: 12 25.649 1.962 0.926 0.938 1.000 0.818 CA 1.423 22 residues pruned to eliminate duplicates Z: 44 41.429 1.996 1.005 0.746 0.907 0.698 CB 1.397 44 residues pruned to eliminate duplicates Z: 8 19.973 2.066 0.720 0.772 1.000 0.714 CA 1.669 Z: 12 28.012 1.944 1.066 0.909 1.000 0.545 CA 1.493 20 residues pruned to eliminate duplicates Z: 9 4.264 1.636 0.132 0.446 0.875 0.625 CB 0.984 6 residues pruned to eliminate duplicates Z: 29 18.616 1.603 0.393 0.826 1.000 0.821 CB 1.189 29 residues pruned to eliminate duplicates Z: 26 18.229 1.661 0.468 0.823 0.920 0.760 CB 1.228 26 residues pruned to eliminate duplicates Z: 7 4.671 1.541 0.544 0.505 0.833 0.833 CB 0.957 7 residues pruned to eliminate duplicates Z: 12 10.085 1.668 0.424 0.568 0.909 0.364 CB 1.319 18 residues pruned to eliminate duplicates Z: 22 18.741 1.687 0.379 0.878 0.905 0.714 CB 1.410 22 residues pruned to eliminate duplicates Z: 13 9.542 1.694 0.288 0.541 0.833 0.417 CB 1.455 17 residues pruned to eliminate duplicates Z: 22 21.444 1.689 0.456 0.889 1.000 0.810 CB 1.369 22 residues pruned to eliminate duplicates Z: 27 19.629 1.673 0.522 0.806 0.923 0.692 CB 1.254 27 residues pruned to eliminate duplicates Z: 20 10.945 1.556 0.581 0.591 0.842 0.263 CB 1.111 20 residues pruned to eliminate duplicates Z: 29 17.342 1.665 0.413 0.717 0.929 0.679 CB 1.232 35 residues pruned to eliminate duplicates Z: 30 20.303 1.663 0.483 0.733 0.966 0.690 CB 1.284 30 residues pruned to eliminate duplicates Z: 12 14.049 1.621 0.800 0.867 0.909 0.818 CB 1.169 12 residues pruned to eliminate duplicates Z: 29 15.396 1.620 0.453 0.718 0.857 0.679 CB 1.184 29 residues pruned to eliminate duplicates Z: 30 18.014 1.648 0.404 0.745 0.931 0.759 CB 1.247 30 residues pruned to eliminate duplicates Z: 29 17.344 1.693 0.476 0.770 0.929 0.786 CB 1.112 29 residues pruned to eliminate duplicates Z: 19 11.917 1.540 0.695 0.608 0.778 0.556 CB 1.248 19 residues pruned to eliminate duplicates Z: 16 14.572 1.691 0.530 0.770 0.933 0.733 CB 1.227 16 residues pruned to eliminate duplicates Z: 28 16.976 1.630 0.458 0.790 0.963 0.778 CB 1.107 28 residues pruned to eliminate duplicates Z: 29 20.063 1.671 0.649 0.783 0.893 0.679 CB 1.201 29 residues pruned to eliminate duplicates Z: 30 18.080 1.634 0.635 0.684 0.897 0.621 CB 1.184 30 residues pruned to eliminate duplicates Z: 25 12.431 1.651 0.648 0.633 0.875 0.667 CB 0.941 21 residues pruned to eliminate duplicates Z: 8 5.749 1.714 0.041 0.793 0.857 0.714 CB 1.098 8 residues pruned to eliminate duplicates Z: 20 15.722 1.747 0.619 0.750 0.947 0.737 CB 1.077 20 residues pruned to eliminate duplicates Z: 24 14.931 1.618 0.646 0.705 0.957 0.652 CB 1.014 24 residues pruned to eliminate duplicates Z: 21 10.873 1.671 0.615 0.595 0.800 0.550 CB 1.029 21 residues pruned to eliminate duplicates Z: 9 4.668 1.551 0.161 0.405 1.000 0.625 CB 1.013 9 residues pruned to eliminate duplicates Z: 9 5.306 1.606 0.454 0.391 0.875 0.375 CB 1.031 9 residues pruned to eliminate duplicates Z: 12 8.015 1.484 0.533 0.731 0.727 0.455 CB 1.186 14 residues pruned to eliminate duplicates Z: 10 8.025 1.373 0.417 0.620 1.000 0.333 CB 1.228 10 residues pruned to eliminate duplicates Z: 15 7.487 1.416 0.484 0.479 0.929 0.429 CB 1.048 15 residues pruned to eliminate duplicates Z: 19 7.285 1.534 0.601 0.477 0.667 0.444 CB 1.073 19 residues pruned to eliminate duplicates Z: 18 6.015 1.459 0.310 0.368 0.882 0.294 CB 0.996 18 residues pruned to eliminate duplicates Z: 10 9.022 1.574 0.475 0.676 0.889 0.667 CA 1.239 10 residues pruned to eliminate duplicates Z: 11 6.953 1.422 0.526 0.689 0.800 0.400 N 1.065 11 residues pruned to eliminate duplicates Z: 8 4.013 1.453 0.821 0.452 0.571 0.429 N 1.054 Z: 21 14.648 1.435 0.463 0.906 0.950 0.700 CB 1.168 28 residues pruned to eliminate duplicates Z: 19 11.659 1.401 0.694 0.806 0.944 0.444 CB 0.938 19 residues pruned to eliminate duplicates Z: 13 9.356 1.515 0.269 0.770 0.917 0.750 CB 1.207 13 residues pruned to eliminate duplicates Z: 18 13.327 1.540 0.482 0.701 0.882 0.706 N 1.337 18 residues pruned to eliminate duplicates Z: 14 8.551 1.477 0.333 0.618 0.923 0.692 O 1.168 13 residues pruned to eliminate duplicates Z: 9 9.128 1.547 0.154 0.916 1.000 0.875 O 1.276 9 residues pruned to eliminate duplicates Z: 8 8.953 1.612 0.199 0.780 1.000 0.857 CA 1.367 8 residues pruned to eliminate duplicates Z: 10 7.689 1.558 0.223 0.636 1.000 0.667 CA 1.184 10 residues pruned to eliminate duplicates Z: 7 7.166 1.523 0.151 0.784 1.000 0.833 CA 1.301 7 residues pruned to eliminate duplicates Z: 10 8.250 1.503 0.378 0.553 1.000 0.556 CA 1.260 9 residues pruned to eliminate duplicates Z: 7 9.935 1.674 0.367 0.788 1.000 0.500 N 1.377 9 residues pruned to eliminate duplicates Z: 8 8.574 1.616 0.186 0.703 1.000 0.429 CA 1.406 8 residues pruned to eliminate duplicates Z: 6 6.318 1.489 0.660 0.675 0.800 0.600 CA 1.216 6 residues pruned to eliminate duplicates Z: 36 28.058 1.783 0.484 0.898 0.971 0.800 CB 1.320 36 residues pruned to eliminate duplicates Z: 52 39.381 1.892 0.575 0.839 0.980 0.824 CB 1.409 52 residues pruned to eliminate duplicates Z: 19 20.473 1.663 0.547 0.900 1.000 0.556 CB 1.340 19 residues pruned to eliminate duplicates Z: 22 18.241 1.623 0.681 0.795 0.952 0.667 CB 1.183 22 residues pruned to eliminate duplicates Z: 20 16.836 1.587 0.568 0.811 0.947 0.737 CB 1.250 20 residues pruned to eliminate duplicates Z: 15 16.587 1.511 0.700 0.883 1.000 0.643 CB 1.248 14 residues pruned to eliminate duplicates Z: 22 19.521 1.596 0.455 0.921 1.000 0.571 CB 1.291 22 residues pruned to eliminate duplicates Z: 28 23.787 1.714 0.668 0.885 0.926 0.741 CB 1.248 28 residues pruned to eliminate duplicates Z: 13 11.336 1.558 0.698 0.725 0.833 0.333 CB 1.212 13 residues pruned to eliminate duplicates Z: 26 27.751 1.770 0.657 0.928 0.960 0.680 CB 1.380 26 residues pruned to eliminate duplicates Z: 20 19.714 1.657 0.563 0.891 1.000 0.789 CB 1.256 20 residues pruned to eliminate duplicates Z: 21 24.382 1.804 0.739 0.919 1.000 0.700 CB 1.225 21 residues pruned to eliminate duplicates Z: 55 38.515 1.881 0.559 0.803 1.000 0.722 CB 1.372 55 residues pruned to eliminate duplicates Z: 40 31.606 1.935 0.540 0.746 0.897 0.718 CB 1.519 40 residues pruned to eliminate duplicates Z: 51 37.111 2.006 0.446 0.885 0.980 0.800 CB 1.333 51 residues pruned to eliminate duplicates Z: 22 19.954 1.842 0.665 0.827 0.857 0.762 CB 1.249 22 residues pruned to eliminate duplicates Z: 33 26.790 1.732 0.743 0.809 0.969 0.688 CB 1.237 33 residues pruned to eliminate duplicates Z: 52 42.733 2.015 0.539 0.888 1.000 0.882 CB 1.390 52 residues pruned to eliminate duplicates Z: 26 25.134 1.781 0.620 0.844 0.920 0.520 CB 1.409 26 residues pruned to eliminate duplicates Z: 45 37.503 1.940 0.619 0.770 0.977 0.636 CB 1.451 45 residues pruned to eliminate duplicates Z: 28 27.980 1.702 0.827 0.923 0.963 0.667 CB 1.264 28 residues pruned to eliminate duplicates Z: 21 22.731 1.845 0.763 0.837 0.900 0.600 CB 1.298 21 residues pruned to eliminate duplicates Z: 57 41.729 1.914 0.476 0.854 0.982 0.786 CB 1.485 57 residues pruned to eliminate duplicates Z: 69 40.928 1.893 0.528 0.851 0.971 0.750 CB 1.309 69 residues pruned to eliminate duplicates Z: 47 35.881 1.978 0.486 0.799 0.957 0.783 CB 1.448 47 residues pruned to eliminate duplicates Z: 58 39.370 1.923 0.502 0.876 1.000 0.789 CB 1.312 58 residues pruned to eliminate duplicates Z: 57 38.545 1.938 0.578 0.791 0.982 0.768 CB 1.329 57 residues pruned to eliminate duplicates Z: 54 38.880 1.930 0.595 0.858 0.981 0.698 CB 1.302 54 residues pruned to eliminate duplicates Z: 23 23.185 2.094 0.490 0.695 0.909 0.591 CB 1.458 23 residues pruned to eliminate duplicates Z: 50 26.756 1.932 0.349 0.756 0.939 0.673 CB 1.243 50 residues pruned to eliminate duplicates Z: 33 26.972 2.051 0.328 0.777 0.969 0.719 CB 1.416 33 residues pruned to eliminate duplicates Z: 53 37.437 1.940 0.558 0.807 0.981 0.769 CB 1.340 53 residues pruned to eliminate duplicates Z: 23 26.832 2.135 0.554 0.754 0.955 0.727 CB 1.440 23 residues pruned to eliminate duplicates Z: 58 44.335 1.958 0.649 0.884 1.000 0.772 CB 1.314 58 residues pruned to eliminate duplicates Z: 38 30.356 1.837 0.750 0.847 0.973 0.541 CB 1.185 38 residues pruned to eliminate duplicates Z: 55 31.516 1.932 0.392 0.772 0.981 0.667 CB 1.278 55 residues pruned to eliminate duplicates Z: 52 33.021 1.870 0.499 0.741 0.922 0.686 CB 1.442 52 residues pruned to eliminate duplicates Z: 30 17.187 1.919 0.204 0.540 0.897 0.552 CB 1.481 30 residues pruned to eliminate duplicates Z: 23 21.476 2.124 0.271 0.718 0.955 0.682 CB 1.460 23 residues pruned to eliminate duplicates Z: 44 35.820 2.009 0.570 0.861 0.977 0.698 CB 1.304 44 residues pruned to eliminate duplicates Z: 42 35.055 1.997 0.520 0.756 1.000 0.683 CB 1.437 42 residues pruned to eliminate duplicates Z: 38 29.383 2.051 0.449 0.789 0.973 0.649 CB 1.296 38 residues pruned to eliminate duplicates Z: 60 41.698 1.943 0.646 0.852 0.983 0.712 CB 1.277 60 residues pruned to eliminate duplicates Z: 44 26.693 1.904 0.529 0.690 0.907 0.651 CB 1.295 44 residues pruned to eliminate duplicates Z: 47 27.454 1.839 0.594 0.691 0.935 0.522 CB 1.241 47 residues pruned to eliminate duplicates Z: 50 40.959 2.001 0.670 0.869 1.000 0.796 CB 1.279 50 residues pruned to eliminate duplicates Z: 38 33.630 2.092 0.592 0.803 0.973 0.730 CB 1.309 38 residues pruned to eliminate duplicates Z: 38 37.250 2.103 0.594 0.828 1.000 0.676 CB 1.375 38 residues pruned to eliminate duplicates Z: 36 27.785 2.056 0.606 0.694 0.886 0.543 CB 1.344 36 residues pruned to eliminate duplicates Z: 48 27.315 1.953 0.676 0.718 0.915 0.596 CB 1.092 48 residues pruned to eliminate duplicates Z: 72 44.709 1.903 0.779 0.831 0.972 0.662 CB 1.212 72 residues pruned to eliminate duplicates Z: 61 32.093 1.916 0.597 0.721 0.950 0.533 CB 1.168 61 residues pruned to eliminate duplicates Z: 72 43.070 1.904 0.634 0.878 0.972 0.662 CB 1.227 72 residues pruned to eliminate duplicates Z: 34 29.571 2.066 0.899 0.823 0.970 0.606 CB 1.023 34 residues pruned to eliminate duplicates Z: 75 48.001 1.941 0.844 0.855 0.973 0.662 CB 1.182 75 residues pruned to eliminate duplicates Z: 69 43.109 1.900 0.722 0.859 1.000 0.559 CB 1.176 69 residues pruned to eliminate duplicates Z: 60 36.861 1.930 0.689 0.765 0.915 0.610 CB 1.271 60 residues pruned to eliminate duplicates Z: 73 44.713 1.901 0.741 0.894 0.972 0.597 CB 1.175 73 residues pruned to eliminate duplicates Z: 43 35.633 2.053 0.716 0.857 0.976 0.738 CB 1.178 43 residues pruned to eliminate duplicates Z: 40 34.533 2.074 0.645 0.881 1.000 0.513 CB 1.174 40 residues pruned to eliminate duplicates Z: 78 46.606 1.924 0.731 0.850 0.961 0.636 CB 1.229 78 residues pruned to eliminate duplicates Z: 77 45.592 1.916 0.700 0.837 0.974 0.592 CB 1.233 77 residues pruned to eliminate duplicates Z: 72 45.182 1.914 0.758 0.879 1.000 0.690 CB 1.156 72 residues pruned to eliminate duplicates Z: 73 45.221 1.893 0.831 0.883 0.986 0.542 CB 1.127 72 residues pruned to eliminate duplicates Z: 35 29.808 1.980 0.805 0.913 0.912 0.529 CB 1.110 35 residues pruned to eliminate duplicates Z: 106 52.708 1.970 0.665 0.802 0.952 0.705 CB 1.265 106 residues pruned to eliminate duplicates Z: 34 34.306 2.048 0.770 0.942 0.970 0.636 CB 1.179 34 residues pruned to eliminate duplicates Z: 55 37.046 2.002 0.690 0.768 0.981 0.685 CB 1.198 55 residues pruned to eliminate duplicates Z: 71 42.734 1.954 0.703 0.835 0.971 0.743 CB 1.183 71 residues pruned to eliminate duplicates Z: 61 39.968 1.986 0.707 0.796 0.967 0.683 CB 1.215 61 residues pruned to eliminate duplicates Z: 73 48.794 1.902 0.854 0.864 0.972 0.597 CB 1.229 73 residues pruned to eliminate duplicates Z: 28 31.388 2.036 0.793 0.891 0.926 0.889 CB 1.284 28 residues pruned to eliminate duplicates Z: 30 19.793 2.002 0.396 0.660 0.897 0.724 CB 1.264 30 residues pruned to eliminate duplicates Z: 31 26.987 2.013 0.636 0.753 0.933 0.767 CB 1.279 31 residues pruned to eliminate duplicates Z: 35 23.096 1.962 0.551 0.665 0.882 0.676 CB 1.266 35 residues pruned to eliminate duplicates Z: 38 31.943 2.037 0.535 0.750 0.946 0.730 CB 1.420 38 residues pruned to eliminate duplicates Z: 17 12.806 1.755 0.512 0.605 0.875 0.750 CB 1.248 17 residues pruned to eliminate duplicates Z: 16 20.127 1.957 0.792 0.710 0.933 0.800 CB 1.312 16 residues pruned to eliminate duplicates Z: 24 20.743 1.937 0.676 0.733 0.913 0.739 CB 1.183 24 residues pruned to eliminate duplicates Z: 14 21.999 1.879 0.690 0.863 0.923 0.923 CA 1.528 14 residues pruned to eliminate duplicates Z: 26 17.144 1.900 0.611 0.702 0.800 0.680 CB 1.165 26 residues pruned to eliminate duplicates Z: 24 21.456 1.875 0.741 0.799 0.870 0.522 CB 1.214 24 residues pruned to eliminate duplicates Z: 42 26.357 1.976 0.657 0.711 0.829 0.585 CB 1.252 42 residues pruned to eliminate duplicates Z: 43 31.934 2.007 0.665 0.710 0.905 0.548 CB 1.347 43 residues pruned to eliminate duplicates Z: 14 22.090 1.896 0.810 0.777 0.923 0.769 CB 1.515 14 residues pruned to eliminate duplicates Z: 28 27.883 2.089 0.671 0.721 0.926 0.630 CB 1.359 28 residues pruned to eliminate duplicates Z: 37 33.522 2.024 0.748 0.745 0.944 0.694 CB 1.343 37 residues pruned to eliminate duplicates Z: 38 36.328 2.025 0.778 0.798 0.946 0.676 CB 1.352 38 residues pruned to eliminate duplicates Z: 35 33.201 2.069 0.623 0.809 0.941 0.735 CB 1.377 35 residues pruned to eliminate duplicates Z: 23 27.647 2.152 0.652 0.714 0.909 0.682 CB 1.503 23 residues pruned to eliminate duplicates Z: 41 35.022 2.053 0.618 0.738 0.900 0.775 CB 1.497 41 residues pruned to eliminate duplicates Z: 24 24.126 2.069 0.589 0.721 0.870 0.696 CB 1.441 24 residues pruned to eliminate duplicates Z: 24 22.408 2.104 0.591 0.666 0.826 0.739 CB 1.449 24 residues pruned to eliminate duplicates Z: 53 40.937 2.003 0.634 0.795 0.942 0.731 CB 1.421 53 residues pruned to eliminate duplicates Z: 33 18.465 1.956 0.615 0.551 0.781 0.500 CB 1.258 33 residues pruned to eliminate duplicates Z: 40 26.217 1.954 0.576 0.637 0.897 0.615 CB 1.336 40 residues pruned to eliminate duplicates Z: 34 39.569 2.113 0.743 0.830 0.970 0.848 CB 1.451 34 residues pruned to eliminate duplicates Z: 51 35.382 1.932 0.710 0.730 0.920 0.640 CB 1.338 51 residues pruned to eliminate duplicates Z: 39 26.291 1.941 0.651 0.680 0.868 0.684 CB 1.299 39 residues pruned to eliminate duplicates Z: 34 34.169 2.073 0.696 0.808 0.909 0.727 CB 1.422 34 residues pruned to eliminate duplicates Z: 34 32.324 2.027 0.737 0.804 0.939 0.727 CB 1.305 34 residues pruned to eliminate duplicates Z: 41 34.665 2.019 0.553 0.772 0.925 0.750 CB 1.485 41 residues pruned to eliminate duplicates Z: 43 34.896 2.004 0.648 0.720 0.929 0.762 CB 1.439 43 residues pruned to eliminate duplicates Z: 27 23.323 2.111 0.532 0.669 0.846 0.692 CB 1.429 27 residues pruned to eliminate duplicates Z: 32 18.804 1.775 0.633 0.607 0.839 0.419 CB 1.255 32 residues pruned to eliminate duplicates Z: 25 21.729 1.940 0.631 0.706 0.875 0.708 CB 1.328 25 residues pruned to eliminate duplicates Z: 24 19.564 1.957 0.555 0.767 0.870 0.739 CB 1.216 24 residues pruned to eliminate duplicates Z: 37 30.884 2.013 0.703 0.794 0.861 0.667 CB 1.347 37 residues pruned to eliminate duplicates Z: 24 23.524 1.946 0.710 0.744 0.870 0.652 CB 1.362 24 residues pruned to eliminate duplicates Z: 25 25.897 1.932 0.802 0.686 0.958 0.583 CB 1.336 25 residues pruned to eliminate duplicates Z: 23 25.875 1.956 0.783 0.777 0.909 0.636 CB 1.363 23 residues pruned to eliminate duplicates Z: 26 20.347 1.902 0.781 0.661 0.840 0.520 CB 1.232 26 residues pruned to eliminate duplicates Z: 23 21.251 1.866 0.761 0.781 0.909 0.591 CB 1.185 23 residues pruned to eliminate duplicates Z: 24 24.739 1.916 0.857 0.775 0.870 0.609 CB 1.307 24 residues pruned to eliminate duplicates Z: 43 35.338 1.943 0.747 0.728 0.952 0.690 CB 1.373 43 residues pruned to eliminate duplicates Z: 24 25.722 1.916 0.924 0.723 0.957 0.565 CB 1.245 24 residues pruned to eliminate duplicates Z: 71 45.059 1.990 0.640 0.693 0.929 0.686 CA 1.489 96 residues pruned to eliminate duplicates Z: 19 20.870 1.928 0.779 0.751 0.833 0.611 CA 1.376 Z: 24 24.321 1.697 0.742 0.917 0.957 0.739 CB 1.266 19 residues pruned to eliminate duplicates Z: 24 25.113 1.703 0.745 0.890 0.957 0.652 CA 1.325 24 residues pruned to eliminate duplicates Z: 18 13.021 1.514 0.783 0.768 0.824 0.529 CB 1.120 18 residues pruned to eliminate duplicates Z: 22 20.048 1.789 0.609 0.796 0.905 0.619 CA 1.297 22 residues pruned to eliminate duplicates Z: 22 20.971 1.851 0.607 0.817 0.857 0.762 CA 1.364 22 residues pruned to eliminate duplicates Z: 33 35.954 1.999 0.783 0.771 0.969 0.719 CA 1.449 57 residues pruned to eliminate duplicates Z: 21 21.634 1.818 0.677 0.818 0.900 0.850 CA 1.338 Z: 24 23.408 1.714 0.619 0.913 1.000 0.826 CA 1.245 21 residues pruned to eliminate duplicates Z: 23 24.814 1.789 0.757 0.917 0.955 0.682 CA 1.245 23 residues pruned to eliminate duplicates Z: 23 25.907 1.774 0.737 0.911 0.955 0.727 CA 1.331 24 residues pruned to eliminate duplicates Z: 23 24.715 1.821 0.663 0.905 0.955 0.818 CA 1.297 23 residues pruned to eliminate duplicates Z: 24 25.901 1.728 0.763 0.913 0.957 0.826 CA 1.311 23 residues pruned to eliminate duplicates Z: 23 21.922 1.792 0.579 0.886 0.955 0.682 CA 1.249 23 residues pruned to eliminate duplicates Z: 35 36.582 1.995 0.660 0.810 0.971 0.824 CA 1.490 59 residues pruned to eliminate duplicates Z: 36 26.710 1.955 0.583 0.662 0.914 0.686 CA 1.373 36 residues pruned to eliminate duplicates Z: 28 22.609 1.978 0.529 0.587 0.926 0.704 CB 1.429 28 residues pruned to eliminate duplicates Z: 25 27.338 1.972 0.533 0.750 0.958 0.792 CA 1.540 25 residues pruned to eliminate duplicates Z: 41 37.978 2.014 0.636 0.740 0.950 0.750 CA 1.547 41 residues pruned to eliminate duplicates Z: 25 28.291 1.930 0.558 0.764 0.917 0.792 CA 1.657 25 residues pruned to eliminate duplicates Z: 41 36.917 1.990 0.714 0.705 0.925 0.575 CB 1.535 41 residues pruned to eliminate duplicates Z: 38 36.145 1.983 0.868 0.717 0.919 0.622 CB 1.435 38 residues pruned to eliminate duplicates Z: 43 39.861 2.007 0.608 0.744 0.952 0.786 CB 1.608 49 residues pruned to eliminate duplicates Z: 22 34.455 2.041 0.779 0.802 0.952 0.762 CA 1.669 22 residues pruned to eliminate duplicates Z: 23 26.489 1.960 0.676 0.792 0.864 0.682 CB 1.541 23 residues pruned to eliminate duplicates Z: 33 22.428 1.891 0.564 0.569 0.844 0.719 CB 1.487 33 residues pruned to eliminate duplicates Z: 23 30.729 1.967 0.737 0.810 0.955 0.727 CB 1.534 23 residues pruned to eliminate duplicates Z: 52 55.113 2.094 0.738 0.854 0.980 0.824 CA 1.598 52 residues pruned to eliminate duplicates Z: 25 30.018 1.999 0.657 0.778 0.875 0.833 CB 1.655 25 residues pruned to eliminate duplicates Z: 52 60.576 2.073 0.942 0.832 0.980 0.784 CA 1.613 52 residues pruned to eliminate duplicates Z: 41 41.277 2.032 0.710 0.754 0.950 0.650 CB 1.576 41 residues pruned to eliminate duplicates Z: 26 29.185 1.882 0.938 0.726 0.920 0.640 CB 1.419 26 residues pruned to eliminate duplicates Z: 55 52.889 2.055 0.836 0.798 0.944 0.815 CB 1.555 55 residues pruned to eliminate duplicates Z: 52 61.544 2.085 0.977 0.858 0.980 0.784 CB 1.570 52 residues pruned to eliminate duplicates Z: 55 55.931 2.033 0.982 0.795 0.963 0.593 CB 1.515 55 residues pruned to eliminate duplicates Z: 74 54.999 2.043 0.743 0.790 0.932 0.726 CA 1.504 74 residues pruned to eliminate duplicates Z: 51 54.910 2.096 0.778 0.853 0.960 0.760 CB 1.605 51 residues pruned to eliminate duplicates Z: 50 58.887 2.117 0.872 0.871 0.959 0.898 CA 1.615 50 residues pruned to eliminate duplicates Z: 30 44.115 2.101 1.030 0.876 0.966 0.897 CA 1.446 30 residues pruned to eliminate duplicates Z: 34 39.882 1.991 0.734 0.801 0.970 0.818 CB 1.594 34 residues pruned to eliminate duplicates Z: 30 46.000 2.118 0.874 0.916 1.000 0.862 CA 1.520 30 residues pruned to eliminate duplicates Z: 53 49.342 2.068 0.787 0.807 0.962 0.750 CA 1.474 53 residues pruned to eliminate duplicates Z: 43 38.384 2.065 0.767 0.707 0.905 0.714 CB 1.487 43 residues pruned to eliminate duplicates Z: 53 57.179 2.083 0.915 0.838 1.000 0.808 CA 1.485 53 residues pruned to eliminate duplicates Z: 30 48.463 2.122 0.936 0.919 1.000 0.931 CA 1.544 30 residues pruned to eliminate duplicates Z: 51 54.651 2.110 0.909 0.829 0.980 0.840 CA 1.474 51 residues pruned to eliminate duplicates Z: 34 43.889 2.105 0.892 0.816 1.000 0.818 CB 1.459 34 residues pruned to eliminate duplicates Z: 20 28.643 2.002 0.821 0.779 0.947 0.842 CB 1.488 20 residues pruned to eliminate duplicates Z: 30 47.884 2.116 0.965 0.919 1.000 0.759 CA 1.507 30 residues pruned to eliminate duplicates Z: 32 48.542 2.129 1.015 0.877 1.000 0.935 CB 1.476 32 residues pruned to eliminate duplicates Z: 28 53.437 2.197 1.052 0.952 1.000 0.926 CA 1.571 28 residues pruned to eliminate duplicates Z: 28 59.541 2.199 1.235 0.962 1.000 0.889 CB 1.595 28 residues pruned to eliminate duplicates Z: 87 65.625 2.008 0.922 0.796 0.977 0.733 CB 1.449 87 residues pruned to eliminate duplicates Z: 30 54.078 2.091 1.271 0.912 1.000 0.793 CB 1.497 30 residues pruned to eliminate duplicates Z: 30 52.717 2.093 1.257 0.923 1.000 0.897 CB 1.457 30 residues pruned to eliminate duplicates Z: 23 42.067 2.061 1.403 0.914 0.955 0.773 CB 1.342 23 residues pruned to eliminate duplicates Z: 30 51.486 2.093 1.144 0.903 1.000 0.759 CB 1.519 30 residues pruned to eliminate duplicates Z: 29 52.593 2.123 1.204 0.947 1.000 0.679 CB 1.468 29 residues pruned to eliminate duplicates Z: 30 51.644 2.094 1.152 0.932 1.000 0.793 CB 1.486 30 residues pruned to eliminate duplicates Z: 52 53.921 2.070 0.966 0.845 0.941 0.588 CB 1.465 52 residues pruned to eliminate duplicates Z: 30 47.249 2.064 1.209 0.922 0.966 0.690 CB 1.402 30 residues pruned to eliminate duplicates Z: 39 44.421 2.057 0.942 0.770 0.974 0.684 CB 1.459 39 residues pruned to eliminate duplicates Z: 61 60.165 2.046 0.938 0.837 0.983 0.800 CB 1.490 61 residues pruned to eliminate duplicates Z: 29 51.363 2.116 1.150 0.921 0.964 0.714 CB 1.557 29 residues pruned to eliminate duplicates Z: 52 54.694 2.077 0.903 0.825 0.980 0.824 CA 1.491 52 residues pruned to eliminate duplicates Z: 25 28.089 1.976 0.549 0.806 1.000 0.750 CB 1.435 25 residues pruned to eliminate duplicates Z: 27 25.861 1.924 0.785 0.684 0.885 0.654 CB 1.409 27 residues pruned to eliminate duplicates Z: 11 7.476 1.750 0.174 0.450 0.900 0.500 CB 1.344 11 residues pruned to eliminate duplicates Z: 36 38.204 2.025 0.896 0.748 0.914 0.486 CB 1.474 36 residues pruned to eliminate duplicates Z: 24 30.692 1.991 0.744 0.779 1.000 0.826 CA 1.441 24 residues pruned to eliminate duplicates Z: 27 24.890 1.996 0.691 0.702 0.885 0.769 CB 1.360 27 residues pruned to eliminate duplicates Z: 52 44.615 2.025 0.816 0.788 0.922 0.627 CB 1.431 52 residues pruned to eliminate duplicates Z: 54 52.224 2.085 0.856 0.797 0.962 0.830 CB 1.486 54 residues pruned to eliminate duplicates Z: 21 31.411 2.010 0.951 0.812 1.000 0.650 CA 1.365 21 residues pruned to eliminate duplicates Z: 53 54.795 2.068 0.916 0.823 0.962 0.769 CA 1.508 53 residues pruned to eliminate duplicates Z: 51 45.580 2.005 0.834 0.734 0.960 0.680 CB 1.480 51 residues pruned to eliminate duplicates Z: 45 45.443 2.051 1.008 0.746 0.886 0.705 CB 1.507 45 residues pruned to eliminate duplicates Z: 61 56.839 2.064 0.767 0.859 0.983 0.833 CA 1.505 61 residues pruned to eliminate duplicates Z: 24 26.769 1.995 0.565 0.799 0.957 0.739 CB 1.439 24 residues pruned to eliminate duplicates Z: 29 30.099 1.947 0.797 0.729 0.929 0.607 CB 1.425 29 residues pruned to eliminate duplicates Z: 26 31.553 1.976 0.824 0.729 0.960 0.400 CB 1.485 26 residues pruned to eliminate duplicates Z: 32 33.878 1.919 0.776 0.803 1.000 0.581 CB 1.370 32 residues pruned to eliminate duplicates Z: 53 56.325 2.079 1.035 0.822 0.962 0.731 CB 1.453 53 residues pruned to eliminate duplicates Z: 25 28.405 1.979 0.729 0.729 1.000 0.583 CB 1.379 25 residues pruned to eliminate duplicates Z: 32 37.915 1.947 0.832 0.830 0.935 0.677 CB 1.535 32 residues pruned to eliminate duplicates Z: 27 32.983 1.951 0.954 0.794 0.962 0.538 CB 1.364 27 residues pruned to eliminate duplicates Z: 20 27.811 1.868 0.854 0.930 1.000 0.737 CB 1.288 20 residues pruned to eliminate duplicates Z: 32 33.526 1.911 0.744 0.818 0.968 0.581 CB 1.416 32 residues pruned to eliminate duplicates Z: 14 19.873 1.846 0.727 0.912 1.000 0.769 CA 1.224 14 residues pruned to eliminate duplicates Z: 14 13.215 1.683 0.860 0.698 0.923 0.462 CB 1.059 14 residues pruned to eliminate duplicates Z: 13 18.513 1.843 0.935 0.825 0.917 0.750 CB 1.234 13 residues pruned to eliminate duplicates Z: 59 56.181 2.031 0.978 0.851 0.931 0.724 CB 1.460 59 residues pruned to eliminate duplicates Z: 32 24.262 1.911 0.655 0.715 0.871 0.645 CB 1.302 32 residues pruned to eliminate duplicates Z: 24 31.529 1.924 1.005 0.887 0.913 0.609 CB 1.345 24 residues pruned to eliminate duplicates Z: 63 54.316 2.001 0.789 0.816 1.000 0.790 CA 1.465 63 residues pruned to eliminate duplicates Z: 33 36.914 1.936 0.935 0.870 0.969 0.500 CB 1.312 33 residues pruned to eliminate duplicates Z: 9 7.683 1.466 0.218 0.813 1.000 0.500 CB 1.160 9 residues pruned to eliminate duplicates Z: 7 6.209 1.587 0.330 0.705 1.000 0.500 CB 0.996 7 residues pruned to eliminate duplicates Z: 9 5.613 1.490 0.596 0.768 0.875 0.625 CB 0.752 9 residues pruned to eliminate duplicates Z: 11 3.259 1.353 0.409 0.443 0.700 0.400 CB 0.819 11 residues pruned to eliminate duplicates Z: 13 7.577 1.449 0.428 0.678 0.917 0.750 CB 0.979 13 residues pruned to eliminate duplicates Z: 9 8.914 1.472 0.554 0.767 1.000 0.625 CB 1.087 9 residues pruned to eliminate duplicates Z: 16 12.357 1.519 0.694 0.798 0.933 0.667 CB 1.023 18 residues pruned to eliminate duplicates Z: 23 19.686 1.608 0.608 0.908 1.000 0.591 CB 1.153 23 residues pruned to eliminate duplicates Z: 23 14.046 1.591 0.536 0.654 0.955 0.682 CB 1.113 22 residues pruned to eliminate duplicates Z: 8 6.234 1.391 0.654 0.848 0.857 0.286 CB 0.886 8 residues pruned to eliminate duplicates Z: 13 9.102 1.539 0.371 0.607 0.833 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 40 24.497 1.755 0.310 0.757 0.974 0.744 CA 1.394 40 residues pruned to eliminate duplicates Z: 46 26.818 1.765 0.561 0.732 0.889 0.644 CB 1.325 46 residues pruned to eliminate duplicates Z: 11 7.335 1.499 0.604 0.674 0.900 0.400 CB 0.913 11 residues pruned to eliminate duplicates Z: 6 3.513 1.573 0.187 0.300 0.800 0.600 CA 1.316 6 residues pruned to eliminate duplicates Z: 12 11.226 1.646 0.430 0.740 0.818 0.636 CB 1.418 12 residues pruned to eliminate duplicates Z: 40 25.307 1.727 0.495 0.744 0.923 0.718 CB 1.366 40 residues pruned to eliminate duplicates Z: 15 11.621 1.662 0.621 0.514 0.786 0.714 CA 1.447 15 residues pruned to eliminate duplicates Z: 42 21.736 1.755 0.380 0.701 0.854 0.707 CB 1.367 42 residues pruned to eliminate duplicates Z: 36 25.232 1.820 0.476 0.711 0.914 0.686 CB 1.434 36 residues pruned to eliminate duplicates Z: 25 23.628 1.873 0.670 0.623 0.917 0.708 CB 1.497 25 residues pruned to eliminate duplicates Z: 37 28.319 1.874 0.667 0.691 0.944 0.611 CB 1.343 37 residues pruned to eliminate duplicates Z: 29 21.548 1.845 0.490 0.679 0.857 0.607 CA 1.465 29 residues pruned to eliminate duplicates Z: 29 22.302 1.873 0.488 0.692 0.857 0.714 CB 1.481 29 residues pruned to eliminate duplicates Z: 32 19.992 1.865 0.439 0.618 0.839 0.613 CB 1.427 32 residues pruned to eliminate duplicates Z: 47 24.758 1.736 0.610 0.671 0.848 0.609 CB 1.315 47 residues pruned to eliminate duplicates Z: 32 22.669 1.851 0.534 0.628 0.903 0.677 CB 1.407 32 residues pruned to eliminate duplicates Z: 29 22.113 1.819 0.424 0.730 0.964 0.536 CA 1.360 29 residues pruned to eliminate duplicates Z: 26 22.628 1.906 0.498 0.607 0.960 0.680 CA 1.491 26 residues pruned to eliminate duplicates Z: 34 26.101 1.859 0.443 0.751 0.909 0.667 CB 1.489 34 residues pruned to eliminate duplicates Z: 34 20.736 1.873 0.396 0.608 0.848 0.636 CB 1.468 34 residues pruned to eliminate duplicates Z: 27 22.561 1.927 0.290 0.790 0.962 0.846 CB 1.435 27 residues pruned to eliminate duplicates Z: 43 21.394 1.762 0.434 0.615 0.833 0.595 CB 1.407 43 residues pruned to eliminate duplicates Z: 39 30.082 1.869 0.707 0.660 0.921 0.632 CB 1.431 39 residues pruned to eliminate duplicates Z: 32 24.164 1.869 0.623 0.621 0.903 0.677 CB 1.414 32 residues pruned to eliminate duplicates Z: 31 21.211 1.849 0.595 0.600 0.833 0.533 CA 1.433 31 residues pruned to eliminate duplicates Z: 31 22.740 1.861 0.612 0.654 0.867 0.600 CB 1.384 31 residues pruned to eliminate duplicates Z: 18 21.377 1.945 0.760 0.708 0.941 0.588 CB 1.332 18 residues pruned to eliminate duplicates Z: 40 29.887 1.846 0.704 0.670 0.949 0.590 CB 1.371 40 residues pruned to eliminate duplicates Z: 37 21.425 1.807 0.604 0.648 0.833 0.611 CB 1.288 37 residues pruned to eliminate duplicates Z: 36 28.824 1.884 0.638 0.700 0.943 0.657 CB 1.395 36 residues pruned to eliminate duplicates Z: 48 23.788 1.781 0.621 0.560 0.894 0.511 CB 1.269 48 residues pruned to eliminate duplicates Z: 37 31.009 1.894 0.797 0.712 0.917 0.694 CB 1.367 37 residues pruned to eliminate duplicates Z: 36 29.161 1.894 0.687 0.725 0.943 0.629 CB 1.336 36 residues pruned to eliminate duplicates Z: 23 28.224 1.860 1.048 0.802 0.955 0.636 CB 1.271 23 residues pruned to eliminate duplicates Z: 40 27.590 1.827 0.704 0.701 0.897 0.590 CB 1.317 40 residues pruned to eliminate duplicates Z: 37 30.332 1.906 0.634 0.685 0.972 0.639 CB 1.409 37 residues pruned to eliminate duplicates Z: 28 28.228 1.925 0.740 0.776 0.963 0.704 CB 1.320 28 residues pruned to eliminate duplicates Z: 38 26.584 1.867 0.628 0.678 0.865 0.649 CB 1.411 38 residues pruned to eliminate duplicates Z: 40 27.567 1.828 0.793 0.633 0.872 0.564 CA 1.364 40 residues pruned to eliminate duplicates Z: 39 30.860 1.884 0.589 0.783 0.947 0.737 CB 1.376 39 residues pruned to eliminate duplicates Z: 51 29.905 1.811 0.594 0.679 0.900 0.560 CA 1.380 51 residues pruned to eliminate duplicates Z: 50 29.055 1.831 0.648 0.620 0.878 0.531 CB 1.399 50 residues pruned to eliminate duplicates Z: 32 30.191 1.881 0.892 0.726 0.935 0.645 CB 1.328 32 residues pruned to eliminate duplicates Z: 8 11.362 1.856 0.439 0.670 1.000 0.429 N 1.374 8 residues pruned to eliminate duplicates Z: 16 16.683 1.627 0.739 0.864 0.867 0.667 CB 1.288 16 residues pruned to eliminate duplicates Z: 12 21.209 1.864 0.928 0.815 1.000 0.818 CA 1.353 12 residues pruned to eliminate duplicates Z: 25 23.785 1.685 0.873 0.888 1.000 0.667 CB 1.108 25 residues pruned to eliminate duplicates Z: 20 16.150 1.696 0.801 0.790 0.947 0.263 CB 0.993 20 residues pruned to eliminate duplicates Z: 28 24.465 1.652 0.835 0.869 1.000 0.815 CB 1.134 28 residues pruned to eliminate duplicates Z: 17 21.419 1.793 0.892 0.854 1.000 0.688 CB 1.166 17 residues pruned to eliminate duplicates Z: 24 24.577 1.704 0.981 0.898 1.000 0.652 CB 1.086 24 residues pruned to eliminate duplicates Z: 25 19.006 1.647 0.828 0.864 0.958 0.625 CB 0.986 25 residues pruned to eliminate duplicates Z: 23 20.045 1.681 0.860 0.771 0.955 0.455 CB 1.126 23 residues pruned to eliminate duplicates Z: 24 23.804 1.717 0.857 0.885 0.957 0.739 CB 1.176 24 residues pruned to eliminate duplicates Z: 8 13.446 1.756 0.928 0.793 1.000 0.429 CB 1.161 8 residues pruned to eliminate duplicates Z: 27 23.269 1.681 0.731 0.855 1.000 0.615 CB 1.157 27 residues pruned to eliminate duplicates 510 residues left after pruning, divided into chains as follows: A: 26 B: 27 C: 6 D: 6 E: 22 F: 173 G: 58 H: 127 I: 65 CC for partial structure against native data = 46.09 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.472, Connect. = 0.730 for dens.mod. cycle 1 = 0.300, Contrast = 0.548, Connect. = 0.758 for dens.mod. cycle 2 = 0.300, Contrast = 0.674, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.681, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.690, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.691, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.693, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.693, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.693, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.693, Connect. = 0.800 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 0.672 0.757 0.716 0.663 0.675 0.639 0.646 0.654 0.626 0.608 0.820 0.894 0.853 0.800 0.822 0.780 0.781 0.797 0.765 0.744 N 3459 3480 3462 3469 3513 3391 3488 3346 3543 3310 Estimated mean FOM = 0.666 Pseudo-free CC = 68.61 % Best trace (cycle 1 with CC 49.08%) 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 15.7 - FFTs and peak-searches 33.4 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 737.4 - Tripeptide search 5773.9 - Chain tracing 0.0 - NCS analysis 35.4 - B-value refinement for trace 0.7 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 23:26:36 Total time: 6599.31 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 110.62 Used memory is bytes: 10484288