++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:38:23 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.ins Phases from ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.phi Native data from ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.hkl Listing output to ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.lst Phases output to ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.phs Poly-Ala trace output to ./1zkg-2.3-parrot-noncs/1zkg-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: P 1 21 1 Allowed origin shift code: 2 21358 Reflections read from file ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.phi 21358 Reflections read from file ./1zkg-2.3-parrot-noncs/1zkg-2.3-parrot-noncs.hkl 21358 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by -0.001251h^2 -0.000049k^2 +0.000847l^2 +0.000000kl -0.001846hl +0.000000hk 11 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 64 x 128 x 39 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.700 = 0.300, Contrast = 0.428, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.465, Connect. = 0.691 for dens.mod. cycle 2 = 0.300, Contrast = 0.561, Connect. = 0.721 for dens.mod. cycle 3 = 0.300, Contrast = 0.595, Connect. = 0.732 for dens.mod. cycle 4 = 0.300, Contrast = 0.615, Connect. = 0.738 for dens.mod. cycle 5 = 0.300, Contrast = 0.628, Connect. = 0.743 for dens.mod. cycle 6 = 0.300, Contrast = 0.637, Connect. = 0.746 for dens.mod. cycle 7 = 0.300, Contrast = 0.643, Connect. = 0.749 for dens.mod. cycle 8 = 0.300, Contrast = 0.647, Connect. = 0.751 for dens.mod. cycle 9 = 0.300, Contrast = 0.651, Connect. = 0.752 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1241 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 392 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 13.049 1.884 0.312 0.905 1.000 0.867 CB 0.971 B: 26 26.466 1.970 0.638 0.899 0.960 0.760 CB 1.221 C: 26 36.959 1.973 0.867 0.915 1.000 0.840 CB 1.417 D: 16 26.895 2.066 0.885 0.912 1.000 0.800 CB 1.263 16 residues pruned to eliminate duplicates E: 23 32.093 1.775 1.109 0.918 1.000 0.682 CB 1.288 21 residues pruned to eliminate duplicates F: 25 26.203 2.000 0.467 0.928 1.000 0.917 CB 1.276 25 residues pruned to eliminate duplicates G: 16 24.590 2.074 0.750 0.924 1.000 1.000 CB 1.229 16 residues pruned to eliminate duplicates H: 21 29.498 2.001 0.839 0.864 0.950 0.900 CB 1.383 21 residues pruned to eliminate duplicates I: 27 34.662 1.980 0.729 0.910 1.000 0.846 CB 1.408 26 residues pruned to eliminate duplicates J: 24 38.605 2.062 1.007 0.911 1.000 0.870 CB 1.379 K: 15 27.540 2.048 0.836 0.927 1.000 0.714 CB 1.372 L: 17 30.389 2.001 0.889 0.906 1.000 0.875 CB 1.429 15 residues pruned to eliminate duplicates M: 26 25.781 1.861 0.647 0.877 1.000 0.880 CB 1.222 N: 17 25.255 1.913 0.888 0.901 0.938 0.812 CB 1.331 O: 28 26.173 1.827 0.884 0.862 0.926 0.704 CB 1.161 28 residues pruned to eliminate duplicates P: 20 30.486 1.872 0.890 0.861 1.000 0.684 CB 1.453 Q: 17 31.892 1.933 0.936 0.900 1.000 0.750 CB 1.522 17 residues pruned to eliminate duplicates R: 31 28.153 1.794 0.643 0.899 1.000 0.900 CB 1.247 20 residues pruned to eliminate duplicates S: 26 40.633 1.982 1.128 0.916 1.000 0.760 CB 1.360 28 residues pruned to eliminate duplicates T: 24 29.145 2.002 0.800 0.949 1.000 0.739 CB 1.164 26 residues pruned to eliminate duplicates U: 24 28.305 1.998 0.925 0.887 0.913 0.826 CB 1.211 24 residues pruned to eliminate duplicates V: 19 27.557 1.906 1.193 0.908 0.889 0.556 CB 1.241 W: 18 31.746 1.948 0.948 0.922 1.000 0.824 CB 1.427 17 residues pruned to eliminate duplicates X: 16 21.750 2.019 0.713 0.899 1.000 0.733 CB 1.160 16 residues pruned to eliminate duplicates Y: 28 26.830 1.810 0.660 0.895 1.000 0.704 CB 1.232 26 residues pruned to eliminate duplicates Z: 13 18.127 1.910 0.610 0.848 0.917 0.750 CB 1.377 Z: 25 29.388 1.975 0.774 0.882 0.917 0.750 CB 1.352 25 residues pruned to eliminate duplicates Z: 27 24.979 1.828 0.577 0.870 0.962 0.654 CB 1.290 27 residues pruned to eliminate duplicates Z: 26 32.622 1.980 0.704 0.896 1.000 0.880 CB 1.385 26 residues pruned to eliminate duplicates Z: 23 36.476 2.045 0.932 0.928 1.000 0.818 CB 1.378 23 residues pruned to eliminate duplicates Z: 24 32.750 1.961 0.874 0.872 1.000 0.826 CB 1.355 24 residues pruned to eliminate duplicates Z: 18 23.518 1.801 0.829 0.930 1.000 1.000 CB 1.211 Z: 19 20.489 1.790 0.478 0.938 0.944 0.889 CA 1.344 19 residues pruned to eliminate duplicates Z: 22 28.851 1.848 0.966 0.900 0.952 0.857 CB 1.300 18 residues pruned to eliminate duplicates Z: 26 24.350 1.834 0.629 0.922 0.960 0.920 CB 1.194 26 residues pruned to eliminate duplicates Z: 27 35.207 1.979 0.730 0.907 1.000 0.962 CB 1.434 27 residues pruned to eliminate duplicates Z: 14 14.825 1.693 0.609 0.909 1.000 0.923 CA 1.072 13 residues pruned to eliminate duplicates Z: 18 28.720 1.939 0.999 0.882 0.941 0.706 CB 1.382 18 residues pruned to eliminate duplicates Z: 9 13.798 1.700 0.849 0.874 1.000 0.875 CB 1.129 Z: 16 22.239 1.980 0.875 0.864 0.867 0.800 CB 1.308 16 residues pruned to eliminate duplicates Z: 16 28.124 1.994 1.109 0.915 0.867 0.667 CB 1.408 16 residues pruned to eliminate duplicates Z: 25 27.539 1.909 0.722 0.829 0.958 0.750 CB 1.343 25 residues pruned to eliminate duplicates Z: 25 31.398 1.968 0.806 0.908 0.958 0.792 CB 1.336 25 residues pruned to eliminate duplicates Z: 26 16.310 1.599 0.372 0.897 0.960 0.720 CB 1.108 Z: 13 18.255 1.854 0.863 0.883 0.917 0.750 CB 1.204 13 residues pruned to eliminate duplicates Z: 24 36.855 2.029 1.117 0.924 1.000 0.826 CB 1.256 24 residues pruned to eliminate duplicates Z: 10 12.472 1.801 0.454 0.860 0.889 0.667 CB 1.313 Z: 26 30.914 1.998 0.617 0.901 1.000 0.960 CB 1.366 26 residues pruned to eliminate duplicates Z: 17 23.992 1.796 0.874 0.899 0.938 0.812 CB 1.358 18 residues pruned to eliminate duplicates Z: 19 27.725 1.879 1.124 0.870 1.000 0.611 CB 1.196 18 residues pruned to eliminate duplicates Z: 12 13.843 1.703 0.532 0.860 1.000 0.818 CB 1.177 10 residues pruned to eliminate duplicates Z: 18 25.269 1.889 0.861 0.933 1.000 0.706 CB 1.216 18 residues pruned to eliminate duplicates Z: 12 12.834 1.830 0.838 0.826 0.818 0.636 CB 1.060 12 residues pruned to eliminate duplicates Z: 13 16.540 1.807 0.444 0.885 1.000 0.833 CA 1.321 13 residues pruned to eliminate duplicates Z: 22 34.101 1.973 0.980 0.850 0.952 0.762 CB 1.482 21 residues pruned to eliminate duplicates Z: 19 20.174 1.812 0.830 0.819 0.889 0.722 CB 1.224 19 residues pruned to eliminate duplicates Z: 12 9.977 1.676 0.594 0.853 0.727 0.636 CB 1.145 Z: 24 27.798 2.005 0.734 0.943 1.000 0.913 CB 1.155 24 residues pruned to eliminate duplicates Z: 25 28.711 1.987 0.752 0.948 1.000 0.875 CB 1.162 24 residues pruned to eliminate duplicates Z: 18 26.634 1.904 0.818 0.903 1.000 0.824 CB 1.330 18 residues pruned to eliminate duplicates Z: 10 10.941 1.794 0.661 0.884 0.889 0.889 CB 0.994 10 residues pruned to eliminate duplicates Z: 16 17.699 1.711 1.065 0.879 0.867 0.267 CB 1.082 16 residues pruned to eliminate duplicates Z: 21 23.473 1.886 0.798 0.798 0.900 0.700 CB 1.325 21 residues pruned to eliminate duplicates Z: 19 28.335 1.946 0.840 0.878 0.944 0.778 CB 1.433 19 residues pruned to eliminate duplicates Z: 26 26.007 1.814 0.908 0.902 0.960 0.600 CB 1.117 26 residues pruned to eliminate duplicates Z: 20 26.591 1.869 0.995 0.900 0.895 0.632 CB 1.307 20 residues pruned to eliminate duplicates Z: 16 29.794 1.996 0.932 0.930 1.000 0.933 CB 1.395 17 residues pruned to eliminate duplicates Z: 25 30.189 1.960 0.624 0.910 1.000 0.750 CB 1.373 25 residues pruned to eliminate duplicates Z: 16 27.115 2.115 1.142 0.919 0.933 0.867 CB 1.167 16 residues pruned to eliminate duplicates Z: 18 29.498 1.892 1.138 0.901 0.941 0.824 CB 1.341 18 residues pruned to eliminate duplicates Z: 17 19.504 1.922 0.290 0.924 1.000 0.938 CB 1.382 17 residues pruned to eliminate duplicates Z: 20 24.879 1.908 0.740 0.867 0.947 0.789 CB 1.328 20 residues pruned to eliminate duplicates Z: 24 27.848 1.958 0.524 0.920 0.957 0.913 CB 1.432 24 residues pruned to eliminate duplicates Z: 28 24.154 1.829 0.867 0.884 0.963 0.556 CB 1.022 28 residues pruned to eliminate duplicates Z: 17 24.381 1.897 0.672 0.928 0.938 0.875 CB 1.436 17 residues pruned to eliminate duplicates Z: 25 28.077 1.981 0.828 0.913 1.000 0.625 CB 1.120 25 residues pruned to eliminate duplicates Z: 14 15.084 1.767 0.854 0.782 0.846 0.692 CB 1.177 14 residues pruned to eliminate duplicates Z: 19 12.953 1.630 0.421 0.852 0.833 0.611 CB 1.170 18 residues pruned to eliminate duplicates Z: 10 9.430 1.674 0.712 0.807 0.889 0.667 CB 0.944 10 residues pruned to eliminate duplicates Z: 23 25.814 1.945 0.560 0.894 1.000 0.818 CB 1.301 23 residues pruned to eliminate duplicates Z: 24 25.797 1.963 0.471 0.928 1.000 0.957 CB 1.305 24 residues pruned to eliminate duplicates Z: 25 24.816 1.949 0.450 0.921 1.000 0.917 CB 1.261 25 residues pruned to eliminate duplicates Z: 10 19.990 1.924 0.769 0.914 1.000 0.444 CA 1.384 10 residues pruned to eliminate duplicates Z: 9 12.097 1.736 0.691 0.848 0.875 0.625 CB 1.235 9 residues pruned to eliminate duplicates Z: 17 20.276 1.864 0.811 0.888 0.938 0.875 CB 1.154 17 residues pruned to eliminate duplicates Z: 21 29.293 1.860 0.919 0.854 1.000 0.750 CB 1.355 21 residues pruned to eliminate duplicates Z: 19 28.829 1.911 0.884 0.931 1.000 0.889 CB 1.319 19 residues pruned to eliminate duplicates Z: 20 13.095 1.590 0.619 0.803 0.947 0.789 CB 0.945 Z: 16 20.639 2.014 0.408 0.932 1.000 0.867 CB 1.312 16 residues pruned to eliminate duplicates Z: 22 20.142 1.799 0.900 0.799 0.952 0.476 CB 1.039 23 residues pruned to eliminate duplicates Z: 16 18.126 2.051 0.211 0.939 1.000 0.933 CB 1.309 16 residues pruned to eliminate duplicates Z: 12 18.247 1.862 0.649 0.890 0.909 0.818 CB 1.418 12 residues pruned to eliminate duplicates Z: 18 24.365 1.899 0.749 0.893 1.000 0.882 CB 1.277 18 residues pruned to eliminate duplicates Z: 15 28.947 2.071 1.276 0.914 1.000 0.714 CB 1.161 15 residues pruned to eliminate duplicates Z: 7 13.021 1.763 0.973 0.832 1.000 0.833 CB 1.147 Z: 23 26.614 1.990 0.669 0.924 1.000 0.864 CB 1.200 23 residues pruned to eliminate duplicates Z: 9 13.975 1.773 0.544 0.872 1.000 0.750 CB 1.316 12 residues pruned to eliminate duplicates Z: 28 16.413 1.644 0.553 0.844 0.963 0.593 CB 0.956 18 residues pruned to eliminate duplicates Z: 24 15.434 1.571 0.589 0.845 0.957 0.739 CB 1.002 24 residues pruned to eliminate duplicates Z: 17 31.522 1.992 0.789 0.932 1.000 0.875 CB 1.544 17 residues pruned to eliminate duplicates Z: 19 24.664 1.764 1.063 0.919 1.000 0.722 CB 1.126 20 residues pruned to eliminate duplicates Z: 8 13.967 1.836 1.251 0.846 0.857 0.714 CB 1.107 8 residues pruned to eliminate duplicates Z: 14 13.954 1.737 0.640 0.917 0.846 0.769 CB 1.133 14 residues pruned to eliminate duplicates Z: 26 24.462 1.969 0.565 0.897 0.960 0.880 CB 1.184 26 residues pruned to eliminate duplicates Z: 24 31.986 2.017 0.959 0.950 1.000 0.739 CB 1.164 24 residues pruned to eliminate duplicates Z: 7 8.984 1.757 0.524 0.864 1.000 1.000 CB 1.004 7 residues pruned to eliminate duplicates Z: 20 19.868 1.838 0.600 0.863 1.000 0.789 CB 1.138 20 residues pruned to eliminate duplicates Z: 27 22.942 1.944 0.276 0.915 0.962 0.923 CB 1.333 27 residues pruned to eliminate duplicates Z: 19 24.200 1.895 0.930 0.891 0.889 0.444 CB 1.262 19 residues pruned to eliminate duplicates Z: 24 36.811 2.028 1.125 0.922 1.000 0.696 CB 1.253 24 residues pruned to eliminate duplicates Z: 19 23.054 1.765 0.818 0.866 1.000 0.833 CB 1.240 19 residues pruned to eliminate duplicates Z: 17 22.691 1.787 0.977 0.859 0.938 0.438 CB 1.260 17 residues pruned to eliminate duplicates Z: 26 24.674 1.823 0.643 0.889 1.000 0.800 CB 1.186 26 residues pruned to eliminate duplicates Z: 25 18.925 1.607 0.589 0.897 1.000 0.750 CB 1.083 26 residues pruned to eliminate duplicates Z: 16 20.570 2.041 0.611 0.924 0.933 0.867 CB 1.215 16 residues pruned to eliminate duplicates Z: 27 34.381 1.974 0.746 0.925 1.000 0.885 CB 1.373 27 residues pruned to eliminate duplicates Z: 17 14.270 1.738 0.649 0.843 0.875 0.500 CB 1.059 17 residues pruned to eliminate duplicates Z: 16 21.050 2.027 0.792 0.924 0.933 0.800 CB 1.126 16 residues pruned to eliminate duplicates Z: 26 33.670 1.981 0.690 0.921 1.000 0.880 CB 1.415 26 residues pruned to eliminate duplicates Z: 24 15.022 1.808 0.683 0.520 0.913 0.783 CB 1.105 25 residues pruned to eliminate duplicates Z: 18 16.899 1.716 1.070 0.880 0.941 0.529 CB 0.889 18 residues pruned to eliminate duplicates Z: 12 16.752 1.745 0.648 0.898 1.000 0.545 CB 1.256 13 residues pruned to eliminate duplicates Z: 7 9.675 1.913 0.045 0.884 1.000 1.000 CB 1.427 7 residues pruned to eliminate duplicates Z: 9 16.014 2.004 0.557 0.904 1.000 0.750 CB 1.293 9 residues pruned to eliminate duplicates Z: 15 10.602 1.951 0.396 0.582 0.929 0.786 CB 1.035 15 residues pruned to eliminate duplicates Z: 13 16.076 1.879 0.464 0.868 0.917 0.917 CB 1.345 12 residues pruned to eliminate duplicates Z: 20 26.162 1.870 0.710 0.921 1.000 0.842 CB 1.322 21 residues pruned to eliminate duplicates Z: 23 24.581 1.894 0.513 0.928 1.000 0.955 CB 1.281 23 residues pruned to eliminate duplicates Z: 25 14.798 1.602 0.450 0.815 0.875 0.583 CB 1.130 27 residues pruned to eliminate duplicates Z: 7 11.491 1.712 0.762 0.875 1.000 0.667 CB 1.132 7 residues pruned to eliminate duplicates Z: 25 24.254 1.812 0.760 0.877 1.000 0.667 CB 1.127 25 residues pruned to eliminate duplicates Z: 25 26.438 1.827 0.610 0.879 1.000 0.667 CB 1.330 25 residues pruned to eliminate duplicates Z: 22 35.421 2.032 1.114 0.930 1.000 0.762 CB 1.259 22 residues pruned to eliminate duplicates Z: 8 14.714 1.775 0.901 0.867 1.000 0.857 CB 1.205 8 residues pruned to eliminate duplicates Z: 26 23.596 1.943 0.449 0.893 0.960 0.880 CB 1.253 26 residues pruned to eliminate duplicates Z: 20 18.447 1.815 0.379 0.903 1.000 0.789 CB 1.206 20 residues pruned to eliminate duplicates Z: 17 28.079 1.923 1.004 0.895 1.000 0.688 CB 1.305 17 residues pruned to eliminate duplicates Z: 24 25.470 1.859 0.582 0.875 1.000 0.783 CB 1.313 25 residues pruned to eliminate duplicates Z: 9 8.204 1.877 -0.113 0.879 1.000 0.875 CB 1.263 9 residues pruned to eliminate duplicates Z: 9 6.740 1.813 0.725 0.834 0.875 0.500 CB 0.653 9 residues pruned to eliminate duplicates Z: 17 20.124 1.805 0.632 0.886 1.000 0.875 CB 1.233 17 residues pruned to eliminate duplicates Z: 27 25.220 1.819 0.533 0.865 1.000 0.769 CB 1.299 27 residues pruned to eliminate duplicates Z: 16 25.884 1.960 0.881 0.908 1.000 0.667 CB 1.287 16 residues pruned to eliminate duplicates Z: 25 32.092 1.885 1.078 0.949 1.000 0.500 CB 1.154 28 residues pruned to eliminate duplicates Z: 19 24.172 1.823 0.864 0.896 1.000 0.611 CB 1.201 19 residues pruned to eliminate duplicates Z: 27 29.426 1.859 0.819 0.908 1.000 0.885 CB 1.212 27 residues pruned to eliminate duplicates Z: 17 21.451 1.850 0.519 0.918 1.000 0.812 CB 1.345 17 residues pruned to eliminate duplicates Z: 30 27.085 1.830 0.758 0.883 0.931 0.517 CB 1.214 26 residues pruned to eliminate duplicates Z: 25 19.960 1.956 0.292 0.879 1.000 0.875 CB 1.169 25 residues pruned to eliminate duplicates Z: 9 10.822 1.635 0.858 0.768 0.875 0.625 CB 1.135 9 residues pruned to eliminate duplicates Z: 15 14.937 1.722 0.646 0.807 0.857 0.714 CB 1.258 15 residues pruned to eliminate duplicates Z: 17 14.119 1.604 0.864 0.825 0.938 0.562 CB 0.950 17 residues pruned to eliminate duplicates Z: 28 22.630 1.787 0.491 0.885 1.000 0.852 CB 1.181 28 residues pruned to eliminate duplicates Z: 24 38.489 2.024 1.188 0.933 1.000 0.696 CB 1.265 24 residues pruned to eliminate duplicates Z: 26 37.946 1.965 1.043 0.887 1.000 0.800 CB 1.363 26 residues pruned to eliminate duplicates Z: 29 17.790 1.668 0.454 0.877 1.000 0.857 CB 1.007 29 residues pruned to eliminate duplicates Z: 13 18.811 1.853 0.991 0.877 1.000 0.417 CB 1.069 13 residues pruned to eliminate duplicates Z: 22 19.889 1.818 0.852 0.875 0.952 0.571 CB 0.984 22 residues pruned to eliminate duplicates Z: 11 16.756 1.672 0.905 0.917 1.000 0.500 CB 1.174 9 residues pruned to eliminate duplicates Z: 19 26.232 1.784 0.810 0.928 1.000 0.944 CB 1.341 18 residues pruned to eliminate duplicates Z: 12 11.752 1.578 0.677 0.837 1.000 0.636 CB 1.001 12 residues pruned to eliminate duplicates Z: 6 2.268 1.544 -0.003 0.407 0.600 0.400 CB 1.211 Z: 8 10.911 1.997 0.385 0.863 1.000 0.857 CB 1.093 8 residues pruned to eliminate duplicates Z: 16 16.443 1.717 0.540 0.859 0.933 0.800 CB 1.266 15 residues pruned to eliminate duplicates Z: 24 23.855 1.690 0.693 0.911 1.000 0.870 CB 1.232 24 residues pruned to eliminate duplicates Z: 24 30.069 1.958 1.086 0.859 0.913 0.609 CB 1.236 24 residues pruned to eliminate duplicates Z: 6 7.342 1.749 0.295 0.648 1.000 1.000 CB 1.263 Z: 23 23.408 1.824 0.935 0.850 0.909 0.682 CB 1.152 22 residues pruned to eliminate duplicates Z: 9 2.853 1.483 0.431 0.187 0.625 0.375 O 1.107 Z: 18 26.343 1.852 0.795 0.915 1.000 0.765 CB 1.357 18 residues pruned to eliminate duplicates Z: 25 22.852 1.925 0.513 0.939 1.000 0.875 CB 1.113 25 residues pruned to eliminate duplicates Z: 9 14.028 1.782 0.718 0.836 1.000 0.625 CB 1.213 8 residues pruned to eliminate duplicates Z: 16 25.375 1.981 0.743 0.916 1.000 0.800 CB 1.339 16 residues pruned to eliminate duplicates Z: 10 17.918 1.688 0.791 0.870 1.000 0.778 CB 1.442 Z: 29 25.610 1.773 0.838 0.897 0.964 0.679 CB 1.103 29 residues pruned to eliminate duplicates Z: 26 30.489 1.960 1.119 0.883 0.960 0.600 CB 1.106 26 residues pruned to eliminate duplicates Z: 26 14.464 1.503 0.409 0.819 0.960 0.760 CB 1.079 26 residues pruned to eliminate duplicates Z: 10 16.733 1.904 0.658 0.848 0.889 0.444 CB 1.474 10 residues pruned to eliminate duplicates Z: 16 24.166 2.032 0.859 0.905 1.000 0.733 CB 1.176 16 residues pruned to eliminate duplicates Z: 20 20.836 1.774 0.449 0.942 1.000 1.000 CB 1.289 19 residues pruned to eliminate duplicates Z: 11 19.409 1.918 0.767 0.851 1.000 0.700 CB 1.340 12 residues pruned to eliminate duplicates Z: 20 28.486 1.801 0.920 0.855 0.947 0.842 CB 1.472 20 residues pruned to eliminate duplicates Z: 6 3.653 1.801 0.774 0.687 0.600 0.400 CB 0.718 Z: 16 14.065 1.805 0.365 0.844 0.933 0.733 CB 1.175 16 residues pruned to eliminate duplicates Z: 31 28.969 1.895 0.660 0.844 0.967 0.800 CB 1.294 32 residues pruned to eliminate duplicates Z: 9 11.299 2.039 0.318 0.912 1.000 0.875 CB 1.053 9 residues pruned to eliminate duplicates Z: 7 7.195 1.715 0.697 0.888 1.000 1.000 CB 0.727 7 residues pruned to eliminate duplicates Z: 7 2.510 1.535 0.138 0.270 0.667 0.500 CB 1.143 Z: 28 25.082 1.911 0.429 0.831 0.963 0.741 CB 1.380 26 residues pruned to eliminate duplicates Z: 20 23.630 1.743 0.680 0.856 1.000 0.632 CB 1.365 19 residues pruned to eliminate duplicates Z: 28 25.622 1.790 0.536 0.861 1.000 0.815 CB 1.318 27 residues pruned to eliminate duplicates Z: 6 6.492 1.724 0.676 0.802 1.000 0.800 CB 0.771 12 residues pruned to eliminate duplicates Z: 11 3.681 1.455 0.489 0.264 0.700 0.400 CB 1.004 11 residues pruned to eliminate duplicates Z: 16 25.757 2.043 0.969 0.931 0.933 0.867 CB 1.237 16 residues pruned to eliminate duplicates Z: 20 13.769 1.719 0.643 0.640 0.789 0.368 CB 1.243 20 residues pruned to eliminate duplicates Z: 24 37.080 2.037 0.998 0.894 0.957 0.696 CB 1.424 24 residues pruned to eliminate duplicates Z: 26 20.455 1.804 0.612 0.864 0.960 0.680 CB 1.074 26 residues pruned to eliminate duplicates Z: 30 18.705 1.614 0.722 0.876 0.966 0.828 CB 0.940 30 residues pruned to eliminate duplicates Z: 9 6.763 1.668 0.564 0.421 0.875 0.625 CB 1.137 6 residues pruned to eliminate duplicates Z: 27 33.325 1.968 0.703 0.907 1.000 0.885 CB 1.386 27 residues pruned to eliminate duplicates Z: 19 29.440 1.941 1.173 0.933 0.944 0.611 CB 1.216 19 residues pruned to eliminate duplicates Z: 17 18.436 1.922 0.486 0.873 1.000 0.750 CB 1.176 17 residues pruned to eliminate duplicates Z: 27 24.559 1.827 0.558 0.881 1.000 0.846 CB 1.225 26 residues pruned to eliminate duplicates Z: 15 20.134 2.033 0.399 0.896 1.000 0.857 CB 1.355 15 residues pruned to eliminate duplicates Z: 20 23.528 1.767 0.674 0.893 1.000 0.895 CB 1.310 20 residues pruned to eliminate duplicates Z: 24 22.161 1.885 0.306 0.903 0.957 0.870 CB 1.398 24 residues pruned to eliminate duplicates Z: 11 3.289 1.427 0.354 0.382 0.700 0.500 CB 0.872 Z: 26 29.409 1.969 0.800 0.895 1.000 0.880 CB 1.189 26 residues pruned to eliminate duplicates Z: 30 26.977 1.837 0.908 0.734 0.966 0.414 CB 1.200 30 residues pruned to eliminate duplicates Z: 14 20.696 1.919 0.478 0.880 1.000 0.923 CB 1.466 14 residues pruned to eliminate duplicates Z: 21 24.120 1.823 0.876 0.851 1.000 0.550 CB 1.167 21 residues pruned to eliminate duplicates Z: 24 27.903 2.020 0.608 0.933 1.000 0.913 CB 1.250 24 residues pruned to eliminate duplicates Z: 23 32.890 1.981 0.661 0.937 1.000 1.000 CB 1.483 26 residues pruned to eliminate duplicates 7 2.000 1.257 0.565 0.390 0.667 0.333 CB 0.700 ? Z: 9 4.815 1.595 0.305 0.473 0.750 0.625 CB 1.120 9 residues pruned to eliminate duplicates Z: 26 32.313 1.945 0.899 0.924 1.000 0.840 CB 1.228 26 residues pruned to eliminate duplicates Z: 25 16.281 1.569 0.543 0.860 1.000 0.750 CB 1.009 25 residues pruned to eliminate duplicates Z: 25 31.268 2.013 0.585 0.923 0.958 0.875 CB 1.467 25 residues pruned to eliminate duplicates Z: 20 18.395 1.855 0.311 0.913 1.000 0.947 CB 1.228 20 residues pruned to eliminate duplicates Z: 21 29.448 1.840 0.862 0.911 0.950 0.900 CB 1.433 20 residues pruned to eliminate duplicates Z: 21 13.357 1.874 0.368 0.599 0.900 0.700 CB 1.178 21 residues pruned to eliminate duplicates Z: 12 17.247 1.812 0.964 0.876 1.000 0.364 CB 1.062 12 residues pruned to eliminate duplicates Z: 26 27.339 1.829 0.932 0.876 1.000 0.680 CB 1.125 26 residues pruned to eliminate duplicates Z: 27 34.589 1.821 0.884 0.939 1.000 0.654 CB 1.374 22 residues pruned to eliminate duplicates Z: 17 22.680 1.785 0.767 0.873 0.938 0.875 CB 1.397 17 residues pruned to eliminate duplicates Z: 8 5.057 1.507 0.797 0.679 0.714 0.714 CB 0.838 8 residues pruned to eliminate duplicates Z: 28 27.226 1.725 0.947 0.899 0.963 0.444 CB 1.158 28 residues pruned to eliminate duplicates Z: 9 11.288 1.755 0.456 0.871 1.000 0.875 CB 1.139 9 residues pruned to eliminate duplicates Z: 10 12.277 1.525 0.880 0.849 0.889 0.444 CB 1.191 10 residues pruned to eliminate duplicates Z: 7 10.353 1.749 0.755 0.881 1.000 0.833 CB 0.997 7 residues pruned to eliminate duplicates Z: 26 21.778 1.862 0.638 0.891 0.960 0.720 CB 1.069 26 residues pruned to eliminate duplicates 8 1.334 1.101 0.492 0.284 0.857 0.286 CB 0.457 ? Z: 16 13.716 1.537 0.693 0.878 0.867 0.733 CB 1.140 15 residues pruned to eliminate duplicates Z: 28 25.688 1.756 0.619 0.843 0.963 0.667 CB 1.345 28 residues pruned to eliminate duplicates Z: 27 38.081 1.987 0.947 0.918 1.000 0.962 CB 1.362 27 residues pruned to eliminate duplicates Z: 17 11.619 1.703 0.858 0.836 0.812 0.375 CB 0.845 17 residues pruned to eliminate duplicates Z: 17 19.919 1.734 0.510 0.876 1.000 0.875 CB 1.382 17 residues pruned to eliminate duplicates Z: 28 29.574 1.774 0.919 0.844 0.926 0.704 CB 1.344 28 residues pruned to eliminate duplicates Z: 9 12.997 1.779 0.425 0.846 1.000 0.875 CB 1.346 9 residues pruned to eliminate duplicates Z: 23 17.146 1.782 0.307 0.835 0.909 0.773 CB 1.294 23 residues pruned to eliminate duplicates Z: 11 13.937 1.704 0.577 0.920 1.000 1.000 CB 1.155 11 residues pruned to eliminate duplicates Z: 9 4.123 1.385 0.478 0.498 0.875 0.500 CB 0.816 Z: 20 23.913 1.818 0.710 0.862 0.947 0.842 CB 1.368 20 residues pruned to eliminate duplicates Z: 26 33.346 1.948 0.994 0.854 0.960 0.720 CB 1.321 26 residues pruned to eliminate duplicates Z: 14 10.649 1.744 0.505 0.593 0.923 0.615 CB 1.114 13 residues pruned to eliminate duplicates Z: 22 17.970 1.962 0.381 0.928 0.952 0.810 CB 1.064 22 residues pruned to eliminate duplicates Z: 24 22.898 1.960 0.591 0.907 1.000 0.783 CB 1.088 24 residues pruned to eliminate duplicates Z: 17 27.926 2.003 0.606 0.932 1.000 1.000 CB 1.515 17 residues pruned to eliminate duplicates 8 1.954 1.334 0.426 0.600 0.714 0.429 CB 0.494 ? Z: 11 11.369 1.588 0.871 0.801 0.900 0.800 CB 1.034 11 residues pruned to eliminate duplicates Z: 17 20.244 2.017 0.968 0.866 0.812 0.688 CB 1.149 17 residues pruned to eliminate duplicates Z: 13 8.411 1.696 0.934 0.645 0.583 0.167 CB 1.108 13 residues pruned to eliminate duplicates Z: 6 4.123 1.509 0.549 0.597 0.800 0.600 CB 0.899 Z: 8 3.553 1.566 0.158 0.396 0.714 0.429 N 1.157 8 residues pruned to eliminate duplicates 6 1.770 1.427 -0.016 0.628 0.600 0.600 CB 0.833 ? Z: 11 13.432 1.662 0.738 0.806 1.000 0.800 CB 1.126 11 residues pruned to eliminate duplicates Z: 15 12.648 1.594 0.825 0.864 1.000 0.857 CB 0.852 15 residues pruned to eliminate duplicates Z: 27 22.116 1.776 0.428 0.845 1.000 0.769 CB 1.271 27 residues pruned to eliminate duplicates Z: 30 19.289 1.710 0.752 0.856 0.862 0.517 CB 1.023 30 residues pruned to eliminate duplicates Z: 18 19.377 1.824 0.815 0.923 0.941 0.824 CB 1.060 18 residues pruned to eliminate duplicates Z: 29 16.486 1.698 0.633 0.570 0.857 0.607 CB 1.225 16 residues pruned to eliminate duplicates Z: 26 29.188 1.889 0.739 0.911 1.000 0.920 CB 1.260 26 residues pruned to eliminate duplicates Z: 14 3.088 1.442 0.509 0.312 0.615 0.462 CB 0.788 14 residues pruned to eliminate duplicates Z: 30 20.180 1.621 0.705 0.864 0.966 0.862 CB 1.029 30 residues pruned to eliminate duplicates Z: 11 16.071 1.890 0.550 0.803 1.000 0.800 CA 1.331 11 residues pruned to eliminate duplicates Z: 12 12.655 1.650 0.679 0.904 0.909 0.636 CB 1.079 12 residues pruned to eliminate duplicates Z: 11 7.263 1.517 0.385 0.795 0.900 0.700 CB 0.938 11 residues pruned to eliminate duplicates Z: 35 19.360 1.773 0.661 0.669 0.794 0.588 CB 1.215 35 residues pruned to eliminate duplicates Z: 8 3.237 1.575 0.709 0.718 0.714 0.714 CB 0.523 Z: 32 24.194 1.801 0.463 0.811 0.968 0.806 CB 1.300 32 residues pruned to eliminate duplicates Z: 9 7.462 1.849 0.150 0.499 1.000 0.750 CB 1.242 9 residues pruned to eliminate duplicates Z: 30 23.414 1.884 0.497 0.794 0.931 0.759 CB 1.279 30 residues pruned to eliminate duplicates Z: 48 23.774 1.816 0.569 0.690 0.894 0.638 CB 1.144 45 residues pruned to eliminate duplicates Z: 11 3.070 1.312 0.157 0.358 0.800 0.400 CB 0.932 Z: 15 22.629 2.024 1.089 0.908 0.857 0.571 CB 1.185 15 residues pruned to eliminate duplicates Z: 26 23.783 1.828 0.568 0.875 1.000 0.920 CB 1.207 26 residues pruned to eliminate duplicates Z: 9 16.860 1.726 0.994 0.879 1.000 0.750 CB 1.255 9 residues pruned to eliminate duplicates Z: 12 9.545 1.887 0.383 0.824 0.727 0.727 CB 1.145 12 residues pruned to eliminate duplicates Z: 15 27.370 1.897 1.010 0.894 1.000 0.571 CA 1.377 15 residues pruned to eliminate duplicates Z: 12 15.226 1.818 0.686 0.760 1.000 0.636 CB 1.189 12 residues pruned to eliminate duplicates Z: 15 15.646 1.773 0.644 0.783 0.929 0.643 CB 1.203 15 residues pruned to eliminate duplicates Z: 19 28.974 1.910 1.034 0.909 0.944 0.722 CB 1.322 19 residues pruned to eliminate duplicates Z: 19 16.461 1.727 0.842 0.855 0.889 0.389 CB 1.013 19 residues pruned to eliminate duplicates Z: 6 4.086 1.299 0.883 0.481 0.800 0.800 N 0.952 Z: 8 2.936 1.484 -0.004 0.437 0.857 0.429 CB 0.934 Z: 6 2.485 1.332 0.581 0.294 0.800 0.600 N 0.831 354 residues left after pruning, divided into chains as follows: A: 17 B: 7 C: 9 D: 32 E: 16 F: 30 G: 20 H: 27 I: 24 J: 29 K: 26 L: 60 M: 10 N: 47 CC for partial structure against native data = 44.38 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.459, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.529, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.631, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.643, Connect. = 0.749 for dens.mod. cycle 4 = 0.300, Contrast = 0.654, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.660, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.665, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.671, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.672, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1266 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 381 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 28.990 2.051 0.724 0.871 1.000 0.765 CB 1.450 B: 23 29.581 2.059 0.510 0.939 1.000 0.955 CB 1.409 C: 25 40.285 2.140 0.876 0.925 1.000 0.833 CB 1.437 D: 24 42.400 2.158 0.774 0.942 1.000 0.913 CB 1.601 25 residues pruned to eliminate duplicates E: 17 27.463 2.008 0.593 0.876 1.000 0.812 CB 1.560 F: 17 33.245 2.017 0.874 0.930 1.000 0.750 CB 1.538 17 residues pruned to eliminate duplicates G: 16 31.979 2.193 0.822 0.904 0.933 0.733 CB 1.577 17 residues pruned to eliminate duplicates H: 24 43.141 2.146 0.869 0.944 1.000 0.870 CB 1.553 23 residues pruned to eliminate duplicates I: 22 34.579 2.192 0.673 0.952 1.000 1.000 CB 1.417 23 residues pruned to eliminate duplicates J: 24 36.122 2.084 0.740 0.942 1.000 0.957 CB 1.440 22 residues pruned to eliminate duplicates K: 17 28.039 2.108 0.469 0.914 1.000 0.938 CA 1.601 16 residues pruned to eliminate duplicates L: 15 31.623 2.237 0.695 0.884 1.000 0.786 CB 1.611 16 residues pruned to eliminate duplicates M: 28 29.174 1.864 0.607 0.925 1.000 0.852 CB 1.315 N: 25 35.038 2.115 0.573 0.929 1.000 0.875 CB 1.505 25 residues pruned to eliminate duplicates O: 23 36.304 2.186 0.548 0.931 1.000 0.909 CB 1.598 23 residues pruned to eliminate duplicates P: 22 29.366 2.147 0.431 0.938 1.000 0.857 CB 1.450 22 residues pruned to eliminate duplicates Q: 16 24.888 2.130 0.402 0.938 1.000 0.867 CB 1.496 15 residues pruned to eliminate duplicates R: 25 40.311 2.130 0.816 0.935 0.958 0.833 CB 1.546 25 residues pruned to eliminate duplicates S: 25 37.900 2.129 0.767 0.918 0.958 0.875 CB 1.514 25 residues pruned to eliminate duplicates T: 27 33.542 2.081 0.770 0.904 0.962 0.846 CB 1.322 U: 25 34.568 2.135 0.723 0.935 0.917 0.833 CB 1.458 25 residues pruned to eliminate duplicates V: 31 28.167 1.866 0.442 0.878 1.000 0.833 CA 1.388 28 residues pruned to eliminate duplicates W: 16 20.866 2.001 0.252 0.947 1.000 1.000 CA 1.486 16 residues pruned to eliminate duplicates X: 15 30.237 2.147 0.729 0.930 1.000 0.929 CB 1.522 15 residues pruned to eliminate duplicates Y: 14 16.045 1.848 0.272 0.917 1.000 0.923 CA 1.336 14 residues pruned to eliminate duplicates Z: 26 28.982 1.924 0.648 0.897 0.960 0.840 CB 1.363 Z: 24 25.046 1.949 0.375 0.872 1.000 0.783 CB 1.420 24 residues pruned to eliminate duplicates Z: 20 27.736 1.930 0.817 0.861 0.947 0.632 CB 1.406 Z: 26 33.692 2.057 0.698 0.907 0.960 0.840 CB 1.428 26 residues pruned to eliminate duplicates Z: 18 31.535 1.944 0.924 0.910 1.000 0.882 CB 1.450 18 residues pruned to eliminate duplicates Z: 19 21.291 1.857 0.494 0.897 0.944 0.833 CB 1.371 Z: 27 35.671 2.071 0.892 0.909 0.962 0.885 CB 1.318 27 residues pruned to eliminate duplicates Z: 15 26.999 2.003 0.803 0.905 1.000 0.929 CA 1.422 15 residues pruned to eliminate duplicates Z: 13 23.840 1.926 0.862 0.866 0.917 0.750 CB 1.533 Z: 25 40.654 2.164 0.798 0.928 0.958 0.833 CB 1.558 25 residues pruned to eliminate duplicates Z: 16 20.518 2.108 0.213 0.921 1.000 0.933 CA 1.458 16 residues pruned to eliminate duplicates Z: 28 30.360 1.989 0.628 0.891 0.963 0.852 CB 1.348 28 residues pruned to eliminate duplicates Z: 30 29.977 1.993 0.542 0.894 0.931 0.862 CB 1.395 30 residues pruned to eliminate duplicates Z: 17 30.677 1.975 0.712 0.931 1.000 0.875 CA 1.585 17 residues pruned to eliminate duplicates Z: 26 28.842 1.941 0.581 0.911 1.000 0.920 CB 1.332 26 residues pruned to eliminate duplicates Z: 25 44.844 2.141 0.975 0.937 1.000 0.875 CB 1.506 25 residues pruned to eliminate duplicates Z: 23 37.081 2.186 0.726 0.933 1.000 0.818 CB 1.462 23 residues pruned to eliminate duplicates Z: 23 32.900 2.167 0.594 0.925 1.000 0.864 CB 1.426 23 residues pruned to eliminate duplicates Z: 26 26.903 2.087 0.319 0.917 1.000 0.960 CB 1.380 26 residues pruned to eliminate duplicates Z: 24 32.873 2.158 0.627 0.945 0.957 0.870 CB 1.412 24 residues pruned to eliminate duplicates Z: 24 38.350 2.130 0.740 0.939 1.000 0.870 CB 1.499 24 residues pruned to eliminate duplicates Z: 16 26.659 2.117 0.527 0.929 1.000 0.867 CA 1.490 16 residues pruned to eliminate duplicates Z: 24 38.373 2.128 0.639 0.906 1.000 0.913 CB 1.631 24 residues pruned to eliminate duplicates Z: 25 49.030 2.169 1.089 0.943 1.000 0.875 CB 1.530 25 residues pruned to eliminate duplicates Z: 17 24.712 2.085 0.847 0.886 0.875 0.562 CB 1.322 17 residues pruned to eliminate duplicates Z: 20 30.240 1.910 0.797 0.902 1.000 0.895 CA 1.442 20 residues pruned to eliminate duplicates Z: 15 20.091 1.947 0.485 0.865 1.000 0.857 CA 1.360 15 residues pruned to eliminate duplicates Z: 25 35.324 2.046 0.648 0.894 0.958 0.875 CB 1.601 25 residues pruned to eliminate duplicates Z: 21 27.511 1.917 0.625 0.919 1.000 0.800 CB 1.392 22 residues pruned to eliminate duplicates Z: 17 32.389 2.036 0.826 0.886 1.000 0.812 CB 1.572 17 residues pruned to eliminate duplicates Z: 29 35.597 2.034 0.651 0.844 0.964 0.821 CB 1.546 29 residues pruned to eliminate duplicates Z: 18 18.495 1.883 0.434 0.885 0.941 0.941 CB 1.274 18 residues pruned to eliminate duplicates Z: 21 18.321 1.792 0.831 0.857 0.850 0.700 CB 1.082 21 residues pruned to eliminate duplicates Z: 17 25.947 1.961 0.614 0.894 1.000 0.812 CA 1.471 17 residues pruned to eliminate duplicates Z: 27 40.105 2.083 1.046 0.922 0.962 0.923 CB 1.350 27 residues pruned to eliminate duplicates Z: 29 29.111 1.875 0.617 0.881 1.000 0.893 CB 1.314 19 residues pruned to eliminate duplicates Z: 28 30.103 1.797 0.624 0.902 1.000 0.704 CB 1.416 20 residues pruned to eliminate duplicates Z: 13 15.157 1.861 0.782 0.856 0.750 0.500 CB 1.298 13 residues pruned to eliminate duplicates Z: 16 25.724 2.132 0.420 0.897 1.000 0.933 CA 1.570 16 residues pruned to eliminate duplicates Z: 26 34.975 2.101 0.605 0.911 1.000 0.920 CB 1.470 26 residues pruned to eliminate duplicates Z: 28 26.894 1.806 0.769 0.888 0.926 0.630 CB 1.261 28 residues pruned to eliminate duplicates Z: 27 22.583 1.870 0.867 0.808 0.846 0.462 CB 1.146 13 residues pruned to eliminate duplicates Z: 9 13.342 2.065 0.477 0.919 1.000 0.875 CB 1.090 Z: 26 34.927 2.100 0.710 0.922 1.000 0.960 CB 1.368 26 residues pruned to eliminate duplicates Z: 19 22.978 1.869 0.642 0.902 0.944 0.833 CB 1.333 19 residues pruned to eliminate duplicates Z: 20 23.975 1.909 0.770 0.880 0.895 0.737 CB 1.318 15 residues pruned to eliminate duplicates Z: 25 26.452 2.018 0.552 0.884 0.958 0.792 CB 1.300 25 residues pruned to eliminate duplicates Z: 13 21.403 1.948 0.518 0.878 1.000 0.583 CA 1.517 13 residues pruned to eliminate duplicates Z: 20 18.012 1.789 0.439 0.877 0.947 0.789 CB 1.230 20 residues pruned to eliminate duplicates Z: 17 30.971 2.037 0.709 0.904 1.000 0.938 CA 1.584 17 residues pruned to eliminate duplicates Z: 19 28.711 2.064 0.582 0.932 0.944 0.889 CA 1.532 19 residues pruned to eliminate duplicates Z: 24 46.226 2.176 1.001 0.885 1.000 0.783 CB 1.598 24 residues pruned to eliminate duplicates Z: 27 33.067 2.071 0.684 0.905 1.000 0.962 CB 1.323 27 residues pruned to eliminate duplicates Z: 17 18.617 1.740 0.618 0.899 1.000 0.750 CB 1.182 Z: 27 25.439 1.926 0.434 0.908 1.000 0.885 CB 1.283 27 residues pruned to eliminate duplicates Z: 23 37.495 2.152 0.888 0.934 0.955 0.818 CB 1.437 23 residues pruned to eliminate duplicates Z: 25 26.334 1.923 0.736 0.878 0.917 0.500 CB 1.275 25 residues pruned to eliminate duplicates Z: 22 27.095 1.809 0.950 0.843 0.952 0.667 CB 1.311 22 residues pruned to eliminate duplicates Z: 25 41.859 2.115 1.168 0.896 0.917 0.625 CB 1.456 25 residues pruned to eliminate duplicates Z: 16 30.484 2.140 0.659 0.906 1.000 0.933 CA 1.577 16 residues pruned to eliminate duplicates Z: 7 10.004 1.829 0.403 0.827 1.000 0.833 CB 1.199 Z: 23 29.792 2.153 0.313 0.932 1.000 0.864 CB 1.568 23 residues pruned to eliminate duplicates Z: 16 31.046 2.217 0.761 0.892 1.000 0.733 CB 1.475 17 residues pruned to eliminate duplicates Z: 9 14.310 1.761 0.817 0.899 1.000 0.875 CB 1.131 9 residues pruned to eliminate duplicates Z: 25 25.958 1.948 0.546 0.880 0.958 0.875 CB 1.331 25 residues pruned to eliminate duplicates Z: 19 20.396 1.836 0.508 0.880 0.944 0.778 CB 1.332 19 residues pruned to eliminate duplicates Z: 10 15.894 1.872 0.619 0.913 1.000 0.556 CB 1.237 10 residues pruned to eliminate duplicates Z: 19 27.554 1.960 0.949 0.909 0.944 0.667 CB 1.277 19 residues pruned to eliminate duplicates Z: 25 33.327 2.084 0.881 0.925 0.958 0.667 CB 1.271 25 residues pruned to eliminate duplicates Z: 25 31.872 2.133 0.608 0.921 0.958 0.875 CB 1.393 25 residues pruned to eliminate duplicates Z: 24 37.076 2.148 0.657 0.940 0.957 0.826 CB 1.577 24 residues pruned to eliminate duplicates Z: 23 29.604 2.076 0.469 0.919 1.000 1.000 CB 1.458 23 residues pruned to eliminate duplicates Z: 20 28.688 1.918 0.657 0.924 1.000 0.947 CB 1.454 20 residues pruned to eliminate duplicates Z: 26 28.593 1.918 0.616 0.889 1.000 0.880 CB 1.328 26 residues pruned to eliminate duplicates Z: 24 33.224 2.092 0.555 0.929 1.000 0.957 CB 1.490 24 residues pruned to eliminate duplicates Z: 16 19.379 1.732 0.700 0.914 1.000 0.933 CB 1.202 16 residues pruned to eliminate duplicates Z: 26 27.641 1.908 0.677 0.902 1.000 0.800 CB 1.232 26 residues pruned to eliminate duplicates Z: 32 26.903 1.858 0.760 0.900 0.903 0.387 CB 1.168 32 residues pruned to eliminate duplicates Z: 19 30.246 1.952 0.927 0.910 0.944 0.778 CB 1.422 19 residues pruned to eliminate duplicates Z: 18 31.958 1.919 1.017 0.919 1.000 0.882 CB 1.411 17 residues pruned to eliminate duplicates Z: 17 32.011 1.989 0.981 0.912 1.000 0.750 CB 1.439 17 residues pruned to eliminate duplicates Z: 24 29.708 2.053 0.714 0.920 0.957 0.652 CB 1.296 24 residues pruned to eliminate duplicates Z: 16 13.375 1.883 0.562 0.597 1.000 0.733 CB 1.070 11 residues pruned to eliminate duplicates Z: 9 12.715 2.117 0.516 0.905 1.000 0.875 CB 0.997 9 residues pruned to eliminate duplicates Z: 10 12.329 1.965 0.098 0.929 1.000 1.000 CB 1.334 10 residues pruned to eliminate duplicates Z: 26 26.862 1.925 0.550 0.879 1.000 0.840 CB 1.306 26 residues pruned to eliminate duplicates Z: 21 23.623 1.808 0.652 0.908 0.950 0.800 CB 1.322 20 residues pruned to eliminate duplicates Z: 17 31.168 1.954 0.887 0.892 1.000 0.750 CA 1.519 17 residues pruned to eliminate duplicates Z: 26 27.149 1.932 0.526 0.884 1.000 0.720 CB 1.331 26 residues pruned to eliminate duplicates Z: 17 32.300 2.008 1.061 0.920 1.000 0.750 CB 1.374 17 residues pruned to eliminate duplicates Z: 26 27.903 2.017 0.522 0.889 0.960 0.760 CB 1.363 26 residues pruned to eliminate duplicates Z: 26 30.615 2.061 0.455 0.919 1.000 0.960 CB 1.439 26 residues pruned to eliminate duplicates Z: 28 32.145 2.010 0.761 0.912 1.000 0.852 CB 1.237 28 residues pruned to eliminate duplicates Z: 22 15.141 1.702 0.677 0.811 0.857 0.619 CB 1.030 22 residues pruned to eliminate duplicates Z: 17 14.958 1.732 0.416 0.856 0.938 0.750 CB 1.199 17 residues pruned to eliminate duplicates Z: 31 20.969 1.715 0.532 0.881 0.933 0.733 CB 1.130 Z: 27 18.245 1.710 0.667 0.804 0.923 0.577 CB 1.043 27 residues pruned to eliminate duplicates Z: 16 35.130 2.177 0.983 0.932 1.000 0.667 CB 1.467 17 residues pruned to eliminate duplicates Z: 8 8.422 2.040 -0.097 0.905 1.000 1.000 CB 1.230 8 residues pruned to eliminate duplicates Z: 29 32.572 1.977 0.668 0.909 1.000 0.929 CB 1.324 29 residues pruned to eliminate duplicates Z: 25 44.338 2.140 0.945 0.923 1.000 0.750 CB 1.528 25 residues pruned to eliminate duplicates Z: 29 28.613 1.826 0.481 0.939 1.000 0.821 CB 1.389 29 residues pruned to eliminate duplicates Z: 20 22.713 1.874 0.393 0.933 1.000 1.000 CB 1.394 19 residues pruned to eliminate duplicates Z: 34 28.861 1.846 0.566 0.869 0.939 0.818 CB 1.352 34 residues pruned to eliminate duplicates Z: 27 35.660 2.077 0.759 0.909 1.000 0.923 CB 1.359 27 residues pruned to eliminate duplicates Z: 27 31.243 2.057 0.708 0.906 0.962 0.769 CB 1.290 27 residues pruned to eliminate duplicates Z: 12 21.598 1.974 0.656 0.889 0.909 0.818 CA 1.577 12 residues pruned to eliminate duplicates Z: 20 28.416 1.926 0.771 0.880 0.947 0.684 CA 1.462 20 residues pruned to eliminate duplicates Z: 28 23.256 1.898 0.818 0.864 0.815 0.444 CB 1.167 28 residues pruned to eliminate duplicates Z: 30 21.525 1.720 0.619 0.883 0.966 0.828 CB 1.075 31 residues pruned to eliminate duplicates Z: 21 21.118 1.808 0.393 0.844 1.000 0.700 CB 1.394 21 residues pruned to eliminate duplicates Z: 20 16.047 1.777 0.515 0.847 0.947 0.579 CB 1.071 20 residues pruned to eliminate duplicates Z: 18 30.749 1.971 0.957 0.888 0.941 0.882 CB 1.480 18 residues pruned to eliminate duplicates Z: 12 12.333 1.675 0.483 0.850 0.909 0.545 CB 1.219 10 residues pruned to eliminate duplicates Z: 22 27.276 1.891 0.936 0.812 1.000 0.714 CB 1.238 22 residues pruned to eliminate duplicates Z: 8 9.738 1.689 1.287 0.815 0.714 0.429 CB 1.014 8 residues pruned to eliminate duplicates Z: 25 25.883 1.951 0.382 0.886 1.000 0.875 CB 1.414 25 residues pruned to eliminate duplicates Z: 24 45.230 2.145 1.095 0.935 0.957 0.870 CB 1.529 24 residues pruned to eliminate duplicates Z: 22 22.002 1.830 0.436 0.915 1.000 0.952 CB 1.291 22 residues pruned to eliminate duplicates Z: 24 31.905 2.111 0.541 0.905 0.957 0.870 CB 1.521 24 residues pruned to eliminate duplicates Z: 11 12.085 1.759 0.446 0.790 0.900 0.800 CB 1.294 11 residues pruned to eliminate duplicates Z: 33 21.233 1.639 0.573 0.859 0.969 0.750 CB 1.106 33 residues pruned to eliminate duplicates Z: 20 26.316 1.828 0.829 0.872 1.000 0.737 CB 1.317 20 residues pruned to eliminate duplicates Z: 20 22.227 1.793 0.802 0.829 0.947 0.632 CB 1.254 20 residues pruned to eliminate duplicates Z: 26 35.392 2.068 0.692 0.898 1.000 0.880 CB 1.446 26 residues pruned to eliminate duplicates 8 1.879 1.370 0.278 0.332 0.714 0.429 CB 0.682 ? Z: 12 19.015 1.757 0.696 0.868 0.909 0.545 O 1.547 12 residues pruned to eliminate duplicates Z: 7 8.794 1.683 0.377 0.850 1.000 0.833 CA 1.148 7 residues pruned to eliminate duplicates Z: 16 28.284 2.059 0.957 0.902 0.933 0.800 CB 1.385 16 residues pruned to eliminate duplicates Z: 25 45.767 2.159 0.960 0.945 1.000 0.833 CB 1.527 25 residues pruned to eliminate duplicates Z: 20 24.874 1.865 0.806 0.859 0.895 0.684 CB 1.393 20 residues pruned to eliminate duplicates Z: 26 31.837 2.081 0.602 0.923 1.000 0.960 CB 1.342 26 residues pruned to eliminate duplicates Z: 13 11.556 1.635 0.505 0.767 0.833 0.750 CB 1.285 12 residues pruned to eliminate duplicates Z: 7 12.135 1.767 0.589 0.838 1.000 0.667 CB 1.319 Z: 30 30.818 1.838 0.897 0.837 0.931 0.724 CB 1.318 29 residues pruned to eliminate duplicates Z: 17 34.624 1.977 1.052 0.915 1.000 0.500 CB 1.508 17 residues pruned to eliminate duplicates Z: 7 9.755 1.745 0.311 0.884 1.000 1.000 CB 1.258 7 residues pruned to eliminate duplicates Z: 26 25.930 1.907 0.509 0.881 1.000 0.800 CB 1.305 26 residues pruned to eliminate duplicates Z: 20 27.036 1.899 0.688 0.881 1.000 0.737 CB 1.401 20 residues pruned to eliminate duplicates Z: 12 13.850 1.714 0.583 0.913 0.909 0.818 CB 1.199 12 residues pruned to eliminate duplicates Z: 25 40.708 2.080 1.301 0.942 0.917 0.500 CB 1.314 25 residues pruned to eliminate duplicates Z: 13 12.747 1.700 0.455 0.827 1.000 0.583 CB 1.121 12 residues pruned to eliminate duplicates Z: 10 10.327 1.652 0.535 0.866 1.000 0.778 CB 0.994 Z: 24 28.482 2.062 0.526 0.899 0.913 0.870 CB 1.478 24 residues pruned to eliminate duplicates Z: 15 13.323 1.724 0.596 0.871 1.000 0.714 CB 0.944 15 residues pruned to eliminate duplicates Z: 25 42.336 2.121 0.795 0.927 1.000 0.833 CB 1.591 25 residues pruned to eliminate duplicates Z: 13 16.910 1.889 0.552 0.899 1.000 0.917 CB 1.190 13 residues pruned to eliminate duplicates Z: 19 17.306 1.800 0.319 0.874 1.000 0.833 CB 1.250 20 residues pruned to eliminate duplicates Z: 28 27.510 1.885 0.766 0.847 0.926 0.815 CB 1.275 28 residues pruned to eliminate duplicates Z: 17 18.461 1.797 0.552 0.852 0.938 0.688 CA 1.306 17 residues pruned to eliminate duplicates Z: 18 22.219 2.022 0.783 0.833 0.941 0.588 CB 1.192 16 residues pruned to eliminate duplicates Z: 26 15.841 1.614 0.657 0.854 0.920 0.640 CB 0.951 17 residues pruned to eliminate duplicates Z: 16 25.229 2.060 1.027 0.914 0.933 0.533 CB 1.182 16 residues pruned to eliminate duplicates Z: 24 34.013 2.111 0.920 0.903 0.957 0.826 CB 1.304 24 residues pruned to eliminate duplicates Z: 23 30.334 1.985 0.758 0.737 1.000 0.773 CB 1.497 30 residues pruned to eliminate duplicates Z: 24 46.474 2.156 1.178 0.936 0.913 0.522 CB 1.573 25 residues pruned to eliminate duplicates Z: 21 27.930 1.907 0.779 0.880 0.950 0.700 CB 1.405 21 residues pruned to eliminate duplicates Z: 10 14.088 1.723 0.706 0.883 1.000 0.444 CB 1.155 10 residues pruned to eliminate duplicates Z: 23 32.249 2.060 0.686 0.920 1.000 0.818 CB 1.394 23 residues pruned to eliminate duplicates Z: 9 15.498 2.109 0.810 0.895 1.000 0.625 CB 1.029 9 residues pruned to eliminate duplicates Z: 14 16.763 1.638 0.853 0.885 0.923 0.462 CB 1.198 14 residues pruned to eliminate duplicates Z: 26 23.253 1.923 0.361 0.887 1.000 0.880 CB 1.281 26 residues pruned to eliminate duplicates Z: 10 13.089 1.741 0.290 0.844 1.000 0.778 CB 1.445 10 residues pruned to eliminate duplicates Z: 25 36.656 2.116 0.600 0.927 1.000 1.000 CB 1.549 25 residues pruned to eliminate duplicates Z: 22 21.320 1.897 0.324 0.911 1.000 0.905 CA 1.312 22 residues pruned to eliminate duplicates Z: 24 39.726 2.127 0.942 0.939 1.000 0.696 CB 1.394 23 residues pruned to eliminate duplicates Z: 82 45.343 1.983 0.689 0.747 0.914 0.704 CB 1.321 75 residues pruned to eliminate duplicates Z: 19 24.642 1.950 0.556 0.929 1.000 0.889 CB 1.339 20 residues pruned to eliminate duplicates Z: 29 27.120 1.890 0.852 0.882 0.964 0.607 CB 1.099 29 residues pruned to eliminate duplicates Z: 9 12.294 1.805 0.418 0.846 1.000 0.625 CB 1.262 9 residues pruned to eliminate duplicates Z: 22 38.652 2.110 0.954 0.906 0.952 0.524 CB 1.528 22 residues pruned to eliminate duplicates Z: 24 36.075 2.126 0.825 0.933 1.000 0.783 CB 1.353 24 residues pruned to eliminate duplicates Z: 7 8.400 1.702 0.298 0.791 0.833 0.500 CB 1.443 7 residues pruned to eliminate duplicates Z: 42 21.416 1.926 0.246 0.720 0.927 0.829 CB 1.232 45 residues pruned to eliminate duplicates Z: 10 13.362 1.719 0.436 0.882 1.000 0.889 O 1.306 11 residues pruned to eliminate duplicates Z: 18 24.023 1.846 0.553 0.913 1.000 0.941 CB 1.439 18 residues pruned to eliminate duplicates Z: 18 16.561 1.836 0.326 0.875 1.000 0.941 CB 1.200 18 residues pruned to eliminate duplicates Z: 31 29.991 1.949 0.618 0.811 0.967 0.767 CB 1.370 31 residues pruned to eliminate duplicates Z: 27 27.116 1.836 0.458 0.937 1.000 0.923 CB 1.383 27 residues pruned to eliminate duplicates Z: 26 33.763 2.088 0.607 0.910 1.000 0.880 CB 1.427 26 residues pruned to eliminate duplicates Z: 9 13.901 1.982 0.477 0.820 0.875 0.750 CA 1.453 9 residues pruned to eliminate duplicates Z: 12 9.870 1.870 0.645 0.823 0.909 0.364 CB 0.804 12 residues pruned to eliminate duplicates Z: 19 30.615 1.832 1.019 0.929 1.000 0.833 CB 1.366 19 residues pruned to eliminate duplicates Z: 14 8.883 1.405 0.389 0.788 1.000 0.769 O 0.980 14 residues pruned to eliminate duplicates Z: 19 17.140 1.812 0.746 0.867 0.778 0.389 CB 1.201 19 residues pruned to eliminate duplicates Z: 23 37.773 2.173 0.767 0.914 1.000 0.773 CB 1.484 23 residues pruned to eliminate duplicates Z: 9 4.637 1.513 0.361 0.558 0.875 0.375 CB 0.860 9 residues pruned to eliminate duplicates Z: 7 3.741 1.454 0.554 0.374 0.667 0.333 N 1.159 Z: 23 24.855 1.850 0.938 0.860 1.000 0.727 CB 1.087 23 residues pruned to eliminate duplicates Z: 19 26.736 1.871 1.023 0.906 0.944 0.889 CB 1.253 19 residues pruned to eliminate duplicates Z: 13 15.975 1.888 0.367 0.916 1.000 0.917 CA 1.262 13 residues pruned to eliminate duplicates Z: 30 33.531 1.919 0.815 0.889 0.966 0.759 CB 1.333 30 residues pruned to eliminate duplicates Z: 14 12.082 1.885 0.673 0.861 0.846 0.615 CB 0.923 14 residues pruned to eliminate duplicates Z: 7 10.072 1.774 0.476 0.864 1.000 0.833 CB 1.151 7 residues pruned to eliminate duplicates Z: 17 16.963 1.828 0.204 0.927 1.000 0.938 CA 1.351 17 residues pruned to eliminate duplicates Z: 25 44.627 2.147 0.953 0.957 0.958 0.750 CB 1.555 25 residues pruned to eliminate duplicates Z: 6 4.179 1.725 0.297 0.531 0.600 0.600 CB 1.351 6 residues pruned to eliminate duplicates Z: 8 9.559 1.607 0.662 0.703 0.857 0.571 CB 1.312 7 residues pruned to eliminate duplicates Z: 26 17.123 1.686 0.536 0.885 0.960 0.840 CB 0.994 26 residues pruned to eliminate duplicates Z: 16 13.104 1.744 0.391 0.766 0.867 0.800 CA 1.271 16 residues pruned to eliminate duplicates Z: 12 21.173 2.107 0.491 0.842 1.000 0.727 CA 1.514 11 residues pruned to eliminate duplicates Z: 21 17.027 1.779 0.534 0.861 0.950 0.600 CB 1.079 21 residues pruned to eliminate duplicates Z: 9 8.654 1.801 0.566 0.797 1.000 0.750 CB 0.836 9 residues pruned to eliminate duplicates Z: 27 30.767 1.821 0.819 0.914 0.962 0.423 CB 1.340 28 residues pruned to eliminate duplicates Z: 31 20.069 1.717 0.470 0.848 0.933 0.600 CB 1.154 31 residues pruned to eliminate duplicates Z: 9 15.734 2.172 0.602 0.920 1.000 1.000 CB 1.125 9 residues pruned to eliminate duplicates Z: 33 20.158 1.680 0.637 0.838 0.906 0.688 CB 1.069 33 residues pruned to eliminate duplicates Z: 24 37.295 2.122 0.891 0.930 0.957 0.870 CB 1.417 24 residues pruned to eliminate duplicates Z: 20 31.639 1.897 1.200 0.919 0.947 0.579 CB 1.293 20 residues pruned to eliminate duplicates Z: 7 2.224 1.300 0.651 0.114 0.667 0.167 CB 1.034 Z: 24 36.518 2.113 0.860 0.858 1.000 0.783 CB 1.427 24 residues pruned to eliminate duplicates Z: 31 36.804 1.916 0.845 0.925 0.967 0.733 CB 1.380 31 residues pruned to eliminate duplicates Z: 15 16.640 1.856 0.538 0.873 0.929 0.786 CB 1.222 15 residues pruned to eliminate duplicates Z: 16 26.395 1.999 0.932 0.894 0.867 0.467 CB 1.461 16 residues pruned to eliminate duplicates Z: 23 34.567 2.178 0.558 0.930 1.000 0.955 CB 1.519 23 residues pruned to eliminate duplicates Z: 6 5.759 1.555 0.293 0.702 1.000 0.600 CB 1.066 Z: 20 27.595 1.882 0.813 0.891 1.000 0.579 CB 1.333 20 residues pruned to eliminate duplicates Z: 32 34.579 1.923 0.680 0.865 0.968 0.645 CB 1.455 32 residues pruned to eliminate duplicates Z: 8 5.047 1.677 0.607 0.350 0.714 0.571 CA 1.167 Z: 9 3.484 1.750 0.564 0.266 0.750 0.375 CB 0.784 Z: 26 17.043 1.665 0.417 0.865 1.000 0.760 CB 1.058 26 residues pruned to eliminate duplicates Z: 24 32.136 2.150 0.542 0.934 1.000 0.826 CB 1.410 24 residues pruned to eliminate duplicates Z: 16 26.744 2.074 0.621 0.911 1.000 0.867 CB 1.455 16 residues pruned to eliminate duplicates Z: 7 7.153 1.405 0.480 0.766 1.000 0.833 CB 1.109 7 residues pruned to eliminate duplicates Z: 16 12.332 1.922 0.562 0.755 0.933 0.467 CB 0.906 16 residues pruned to eliminate duplicates Z: 7 8.760 1.618 0.664 0.827 0.833 0.833 CB 1.202 7 residues pruned to eliminate duplicates Z: 18 25.431 1.994 0.750 0.872 0.941 0.824 CB 1.369 18 residues pruned to eliminate duplicates Z: 8 7.502 1.466 0.565 0.691 0.857 0.714 CB 1.211 Z: 19 26.749 1.902 0.971 0.894 0.944 0.500 CB 1.277 19 residues pruned to eliminate duplicates Z: 21 24.964 1.818 0.530 0.917 1.000 0.800 CA 1.417 21 residues pruned to eliminate duplicates Z: 10 16.362 1.771 0.850 0.919 0.889 0.889 CB 1.319 6 residues pruned to eliminate duplicates Z: 10 12.635 1.662 0.560 0.879 0.889 0.667 CA 1.325 10 residues pruned to eliminate duplicates Z: 24 42.831 2.189 1.070 0.920 0.957 0.783 CB 1.452 24 residues pruned to eliminate duplicates Z: 27 18.941 1.786 0.487 0.878 0.923 0.769 CB 1.100 27 residues pruned to eliminate duplicates Z: 30 32.242 1.902 0.769 0.883 0.966 0.586 CB 1.332 30 residues pruned to eliminate duplicates Z: 19 21.438 1.965 0.264 0.910 1.000 0.889 CB 1.443 19 residues pruned to eliminate duplicates Z: 15 11.209 2.004 0.432 0.571 1.000 0.714 CB 0.975 15 residues pruned to eliminate duplicates 6 1.899 1.705 0.117 0.838 1.000 0.800 CB 0.333 ? Z: 21 24.768 1.849 0.790 0.679 1.000 0.800 CB 1.419 19 residues pruned to eliminate duplicates Z: 22 22.265 1.833 0.363 0.867 1.000 0.810 CA 1.423 22 residues pruned to eliminate duplicates Z: 7 4.740 1.737 0.372 0.801 0.833 0.667 CB 0.749 7 residues pruned to eliminate duplicates Z: 9 15.632 1.827 0.717 0.871 1.000 0.750 CB 1.285 9 residues pruned to eliminate duplicates Z: 21 25.037 1.843 0.697 0.874 0.950 0.700 CA 1.372 21 residues pruned to eliminate duplicates Z: 14 13.554 1.797 0.870 0.815 0.923 0.538 CB 0.922 14 residues pruned to eliminate duplicates Z: 26 23.704 1.881 0.621 0.708 0.920 0.760 CB 1.400 26 residues pruned to eliminate duplicates Z: 9 12.994 2.102 0.385 0.917 1.000 1.000 CB 1.113 9 residues pruned to eliminate duplicates Z: 18 16.512 1.774 0.609 0.813 0.882 0.529 CB 1.211 18 residues pruned to eliminate duplicates Z: 26 34.059 2.100 0.568 0.867 1.000 0.920 CB 1.512 26 residues pruned to eliminate duplicates Z: 23 25.380 1.963 0.612 0.756 0.955 0.818 CB 1.425 23 residues pruned to eliminate duplicates Z: 31 28.987 1.894 0.811 0.846 0.867 0.567 CB 1.323 31 residues pruned to eliminate duplicates Z: 11 10.834 1.736 0.274 0.868 1.000 0.800 CB 1.133 11 residues pruned to eliminate duplicates Z: 19 25.356 1.867 0.851 0.887 0.889 0.556 CB 1.402 19 residues pruned to eliminate duplicates Z: 9 6.808 1.805 -0.118 0.855 0.875 0.875 CB 1.275 9 residues pruned to eliminate duplicates 6 1.427 1.359 0.338 0.295 0.600 0.400 CB 0.735 ? Z: 6 2.647 1.522 0.559 0.384 0.600 0.400 CB 0.941 Z: 26 20.323 1.863 0.360 0.854 0.960 0.840 CB 1.234 26 residues pruned to eliminate duplicates Z: 20 16.622 1.731 0.568 0.845 0.947 0.737 CB 1.103 20 residues pruned to eliminate duplicates Z: 6 2.090 1.338 0.514 0.339 0.600 0.600 CB 0.917 Z: 31 32.045 1.955 0.836 0.845 0.867 0.667 CB 1.398 31 residues pruned to eliminate duplicates Z: 33 12.838 1.579 0.781 0.494 0.781 0.344 CB 1.039 33 residues pruned to eliminate duplicates Z: 21 21.456 1.768 0.662 0.866 0.950 0.800 CB 1.258 21 residues pruned to eliminate duplicates Z: 26 23.771 1.882 0.557 0.868 0.960 0.800 CB 1.236 26 residues pruned to eliminate duplicates Z: 9 9.576 1.901 0.573 0.551 1.000 0.750 CB 1.078 9 residues pruned to eliminate duplicates Z: 10 15.185 1.689 0.612 0.904 1.000 1.000 CB 1.324 10 residues pruned to eliminate duplicates Z: 21 13.385 1.627 0.550 0.872 0.900 0.800 CB 0.961 21 residues pruned to eliminate duplicates Z: 22 18.382 1.805 0.670 0.851 0.857 0.667 CB 1.149 22 residues pruned to eliminate duplicates Z: 21 25.208 1.971 0.845 0.733 0.950 0.550 CB 1.323 20 residues pruned to eliminate duplicates Z: 17 25.393 2.070 0.772 0.884 0.938 0.812 CB 1.333 17 residues pruned to eliminate duplicates Z: 10 6.032 1.456 0.364 0.584 0.778 0.556 CB 1.201 Z: 19 26.864 1.913 0.955 0.905 1.000 0.722 CB 1.205 19 residues pruned to eliminate duplicates Z: 8 4.190 1.667 -0.029 0.455 0.857 0.571 CB 1.195 10 residues pruned to eliminate duplicates Z: 19 17.181 1.811 0.479 0.886 0.944 0.722 CB 1.154 19 residues pruned to eliminate duplicates Z: 20 24.564 1.879 1.117 0.865 0.895 0.632 CB 1.160 20 residues pruned to eliminate duplicates Z: 25 24.106 1.919 0.625 0.865 0.958 0.750 CB 1.206 25 residues pruned to eliminate duplicates Z: 12 11.604 1.737 0.282 0.911 0.909 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 30 31.511 1.906 0.644 0.891 1.000 0.724 CB 1.343 30 residues pruned to eliminate duplicates Z: 27 28.275 1.871 0.699 0.932 0.962 0.731 CB 1.267 27 residues pruned to eliminate duplicates Z: 6 2.748 1.221 0.566 0.678 0.800 0.800 CB 0.682 Z: 10 10.307 1.546 0.560 0.653 1.000 0.667 CB 1.236 15 residues pruned to eliminate duplicates Z: 14 12.895 1.750 0.469 0.876 0.923 0.769 CB 1.096 14 residues pruned to eliminate duplicates Z: 6 9.561 1.640 0.533 0.845 1.000 1.000 N 1.264 6 residues pruned to eliminate duplicates Z: 25 35.363 2.070 1.029 0.895 0.917 0.458 CB 1.344 25 residues pruned to eliminate duplicates Z: 19 7.395 1.603 0.402 0.786 0.722 0.444 CB 0.835 19 residues pruned to eliminate duplicates 6 1.761 1.279 0.201 0.337 0.600 0.600 CB 1.022 ? Z: 7 9.915 1.812 0.386 0.857 1.000 1.000 CB 1.187 7 residues pruned to eliminate duplicates Z: 37 27.410 1.816 0.746 0.758 0.833 0.667 CB 1.375 37 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 22.531 1.948 0.607 0.883 0.938 0.812 CA 1.388 17 residues pruned to eliminate duplicates Z: 15 11.634 1.839 0.356 0.656 0.857 0.571 CB 1.258 15 residues pruned to eliminate duplicates Z: 12 14.188 1.794 0.703 0.566 1.000 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 17 31.135 2.097 0.845 0.798 1.000 0.625 CB 1.550 17 residues pruned to eliminate duplicates Z: 18 29.276 2.021 0.823 0.856 1.000 0.765 CB 1.421 18 residues pruned to eliminate duplicates Z: 18 27.815 2.001 0.946 0.863 1.000 0.882 CB 1.271 18 residues pruned to eliminate duplicates Z: 17 33.590 2.095 1.003 0.864 1.000 0.875 CB 1.467 17 residues pruned to eliminate duplicates Z: 17 30.090 2.100 0.866 0.857 0.938 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 18 31.176 2.019 0.993 0.870 1.000 0.882 CB 1.371 19 residues pruned to eliminate duplicates Z: 16 31.372 2.078 0.886 0.915 1.000 0.867 CB 1.460 16 residues pruned to eliminate duplicates Z: 19 26.824 1.912 0.842 0.782 1.000 0.833 CB 1.401 19 residues pruned to eliminate duplicates Z: 16 33.060 2.154 0.850 0.875 1.000 0.867 CB 1.557 16 residues pruned to eliminate duplicates Z: 19 24.606 1.918 0.687 0.824 1.000 0.778 CB 1.354 19 residues pruned to eliminate duplicates Z: 16 33.985 2.168 0.878 0.874 1.000 0.933 CB 1.568 16 residues pruned to eliminate duplicates Z: 20 27.793 1.926 0.811 0.828 1.000 0.842 CB 1.376 20 residues pruned to eliminate duplicates Z: 25 24.466 1.884 0.646 0.710 0.958 0.750 CB 1.389 25 residues pruned to eliminate duplicates Z: 16 13.811 1.753 0.765 0.531 0.933 0.733 CB 1.197 16 residues pruned to eliminate duplicates Z: 7 11.640 1.824 0.590 0.816 1.000 0.833 CB 1.245 7 residues pruned to eliminate duplicates Z: 28 20.861 1.779 0.693 0.599 0.926 0.778 CB 1.311 28 residues pruned to eliminate duplicates Z: 31 16.588 1.757 0.601 0.533 0.833 0.533 CB 1.251 31 residues pruned to eliminate duplicates Z: 31 24.623 1.862 0.610 0.741 0.867 0.700 CB 1.394 31 residues pruned to eliminate duplicates Z: 15 15.942 1.783 0.688 0.747 0.929 0.714 CB 1.222 15 residues pruned to eliminate duplicates Z: 27 28.787 1.902 0.901 0.808 0.885 0.654 CB 1.350 27 residues pruned to eliminate duplicates Z: 39 23.728 1.764 0.677 0.664 0.868 0.605 CB 1.288 39 residues pruned to eliminate duplicates Z: 35 29.007 1.832 0.709 0.760 0.912 0.735 CB 1.383 35 residues pruned to eliminate duplicates Z: 29 23.416 1.803 0.712 0.756 0.929 0.607 CB 1.229 29 residues pruned to eliminate duplicates Z: 32 24.858 1.738 0.755 0.758 0.935 0.548 CB 1.245 32 residues pruned to eliminate duplicates Z: 17 22.964 1.887 0.711 0.854 0.938 0.812 CA 1.401 17 residues pruned to eliminate duplicates Z: 22 19.647 1.852 0.666 0.635 0.857 0.714 CB 1.429 22 residues pruned to eliminate duplicates Z: 20 21.423 1.872 0.726 0.678 0.895 0.684 CB 1.444 20 residues pruned to eliminate duplicates Z: 24 26.199 1.896 0.783 0.714 0.957 0.739 CB 1.392 24 residues pruned to eliminate duplicates Z: 26 21.135 1.862 0.829 0.700 0.840 0.680 CB 1.231 26 residues pruned to eliminate duplicates Z: 15 23.301 2.010 0.712 0.786 0.929 0.714 CA 1.516 15 residues pruned to eliminate duplicates Z: 24 24.488 1.897 0.744 0.753 0.957 0.783 CB 1.288 24 residues pruned to eliminate duplicates Z: 14 23.014 1.985 1.007 0.803 1.000 0.385 CB 1.230 14 residues pruned to eliminate duplicates Z: 17 23.152 1.959 1.079 0.691 0.875 0.500 CB 1.364 17 residues pruned to eliminate duplicates Z: 34 21.269 1.781 0.655 0.663 0.909 0.545 CB 1.188 34 residues pruned to eliminate duplicates Z: 19 17.622 1.865 0.578 0.767 0.889 0.500 CB 1.253 19 residues pruned to eliminate duplicates Z: 19 20.391 1.896 0.634 0.777 0.889 0.722 CB 1.366 19 residues pruned to eliminate duplicates Z: 27 33.063 1.942 0.947 0.895 0.962 0.500 CB 1.279 27 residues pruned to eliminate duplicates Z: 18 18.154 1.847 0.640 0.801 0.882 0.588 CB 1.266 18 residues pruned to eliminate duplicates Z: 62 38.123 1.875 0.712 0.783 0.951 0.705 CB 1.246 65 residues pruned to eliminate duplicates Z: 20 18.656 1.832 0.690 0.905 0.947 0.526 CB 1.039 20 residues pruned to eliminate duplicates Z: 35 24.282 1.845 0.597 0.783 0.912 0.706 CB 1.209 35 residues pruned to eliminate duplicates Z: 41 26.193 1.851 0.636 0.683 0.850 0.625 CB 1.361 41 residues pruned to eliminate duplicates Z: 43 31.688 1.855 0.852 0.773 0.976 0.571 CB 1.146 43 residues pruned to eliminate duplicates Z: 25 22.071 1.843 0.742 0.700 0.917 0.625 CB 1.276 25 residues pruned to eliminate duplicates Z: 22 17.173 1.784 0.873 0.741 0.810 0.571 CB 1.116 22 residues pruned to eliminate duplicates Z: 124 49.071 1.913 0.565 0.733 0.935 0.659 CB 1.282 124 residues pruned to eliminate duplicates Z: 24 26.665 1.898 0.876 0.842 0.957 0.652 CB 1.217 24 residues pruned to eliminate duplicates Z: 57 31.702 1.897 0.557 0.790 0.911 0.696 CB 1.221 57 residues pruned to eliminate duplicates Z: 41 23.250 1.839 0.698 0.678 0.825 0.675 CB 1.211 41 residues pruned to eliminate duplicates Z: 47 39.109 1.903 0.747 0.826 0.957 0.565 CB 1.367 47 residues pruned to eliminate duplicates Z: 65 39.224 1.860 0.730 0.745 0.922 0.750 CB 1.327 65 residues pruned to eliminate duplicates Z: 39 34.360 1.906 0.720 0.824 0.947 0.711 CB 1.356 39 residues pruned to eliminate duplicates Z: 33 26.444 1.894 0.776 0.723 0.875 0.750 CB 1.298 33 residues pruned to eliminate duplicates Z: 19 13.523 1.759 0.498 0.621 0.944 0.667 CB 1.143 19 residues pruned to eliminate duplicates Z: 19 24.848 2.084 0.393 0.800 1.000 0.889 CB 1.552 19 residues pruned to eliminate duplicates Z: 16 25.815 2.206 0.552 0.892 0.933 0.800 CB 1.498 16 residues pruned to eliminate duplicates Z: 20 30.656 2.058 0.707 0.819 1.000 0.684 CB 1.518 20 residues pruned to eliminate duplicates Z: 17 26.962 2.115 0.754 0.903 0.938 0.625 CB 1.381 17 residues pruned to eliminate duplicates Z: 20 30.440 2.033 0.853 0.748 1.000 0.737 CB 1.485 20 residues pruned to eliminate duplicates Z: 16 29.178 2.211 0.794 0.915 0.933 0.800 CB 1.439 16 residues pruned to eliminate duplicates Z: 21 27.203 2.007 0.825 0.769 0.900 0.700 CB 1.455 21 residues pruned to eliminate duplicates Z: 16 31.926 2.207 0.720 0.897 1.000 0.600 CB 1.555 18 residues pruned to eliminate duplicates Z: 16 35.947 2.220 0.918 0.921 1.000 0.800 CB 1.534 16 residues pruned to eliminate duplicates Z: 16 29.412 2.185 0.833 0.911 0.933 0.600 CB 1.440 16 residues pruned to eliminate duplicates Z: 20 28.307 2.054 0.815 0.775 0.947 0.789 CB 1.442 20 residues pruned to eliminate duplicates Z: 21 30.771 1.981 0.811 0.783 1.000 0.650 CB 1.495 19 residues pruned to eliminate duplicates Z: 18 28.896 2.032 0.928 0.852 0.941 0.706 CB 1.406 18 residues pruned to eliminate duplicates Z: 19 27.486 2.071 0.773 0.785 0.944 0.556 CB 1.454 19 residues pruned to eliminate duplicates Z: 25 18.418 1.718 0.632 0.619 0.875 0.667 CB 1.370 25 residues pruned to eliminate duplicates Z: 53 43.543 1.956 0.698 0.829 0.962 0.615 CB 1.422 53 residues pruned to eliminate duplicates Z: 49 38.483 1.879 0.691 0.752 0.979 0.646 CB 1.427 49 residues pruned to eliminate duplicates Z: 57 33.406 1.878 0.678 0.743 0.911 0.625 CB 1.251 57 residues pruned to eliminate duplicates Z: 37 30.691 1.891 0.657 0.709 0.944 0.556 CB 1.430 37 residues pruned to eliminate duplicates Z: 56 32.056 1.842 0.816 0.704 0.873 0.436 CB 1.229 56 residues pruned to eliminate duplicates Z: 41 26.285 1.837 0.663 0.633 0.900 0.525 CB 1.335 41 residues pruned to eliminate duplicates Z: 42 31.069 1.926 0.541 0.743 0.878 0.683 CB 1.498 42 residues pruned to eliminate duplicates Z: 30 30.420 1.953 0.803 0.732 0.966 0.759 CB 1.348 30 residues pruned to eliminate duplicates Z: 52 32.648 1.864 0.518 0.727 0.922 0.647 CB 1.428 52 residues pruned to eliminate duplicates Z: 38 30.082 1.918 0.649 0.766 0.892 0.568 CB 1.384 38 residues pruned to eliminate duplicates Z: 23 24.212 1.933 0.642 0.717 0.864 0.591 CB 1.548 23 residues pruned to eliminate duplicates Z: 17 19.444 1.863 0.784 0.633 0.938 0.688 CB 1.377 17 residues pruned to eliminate duplicates Z: 22 27.417 1.979 0.674 0.833 0.905 0.714 CB 1.498 22 residues pruned to eliminate duplicates Z: 73 45.542 1.903 0.784 0.799 0.903 0.611 CB 1.348 73 residues pruned to eliminate duplicates Z: 23 25.951 1.958 0.599 0.756 0.909 0.773 CB 1.547 23 residues pruned to eliminate duplicates Z: 36 39.718 1.962 0.824 0.800 0.943 0.686 CB 1.530 36 residues pruned to eliminate duplicates Z: 28 17.589 1.767 0.504 0.659 0.852 0.444 CB 1.291 28 residues pruned to eliminate duplicates Z: 60 47.250 1.929 0.917 0.829 0.966 0.542 CB 1.295 60 residues pruned to eliminate duplicates Z: 33 28.098 1.869 0.765 0.776 0.906 0.656 CB 1.302 33 residues pruned to eliminate duplicates Z: 34 21.310 1.793 0.645 0.595 0.879 0.545 CB 1.307 34 residues pruned to eliminate duplicates Z: 38 32.899 1.905 0.675 0.773 0.973 0.568 CB 1.368 38 residues pruned to eliminate duplicates Z: 74 44.236 1.893 0.761 0.747 0.932 0.671 CB 1.337 74 residues pruned to eliminate duplicates Z: 38 25.800 1.862 0.691 0.622 0.865 0.649 CB 1.388 38 residues pruned to eliminate duplicates Z: 24 28.907 1.943 1.066 0.719 0.826 0.348 CB 1.491 24 residues pruned to eliminate duplicates Z: 24 27.486 1.895 0.975 0.748 0.870 0.609 CB 1.411 24 residues pruned to eliminate duplicates Z: 32 19.064 1.835 0.626 0.638 0.806 0.355 CB 1.250 32 residues pruned to eliminate duplicates Z: 28 25.389 1.837 0.757 0.710 0.926 0.519 CB 1.351 28 residues pruned to eliminate duplicates Z: 30 29.841 1.855 0.704 0.815 0.966 0.828 CB 1.381 30 residues pruned to eliminate duplicates Z: 18 18.735 1.843 0.500 0.811 0.882 0.765 CB 1.420 18 residues pruned to eliminate duplicates Z: 37 25.449 1.805 0.547 0.722 0.917 0.667 CB 1.356 36 residues pruned to eliminate duplicates Z: 19 21.380 1.883 0.418 0.913 1.000 0.889 CB 1.336 19 residues pruned to eliminate duplicates Z: 32 28.940 1.855 0.634 0.811 0.968 0.774 CB 1.351 32 residues pruned to eliminate duplicates Z: 27 24.639 1.925 0.508 0.781 0.923 0.808 CB 1.408 27 residues pruned to eliminate duplicates Z: 27 29.278 1.892 0.754 0.806 0.962 0.846 CB 1.378 27 residues pruned to eliminate duplicates Z: 82 36.990 1.866 0.655 0.697 0.951 0.593 CB 1.169 82 residues pruned to eliminate duplicates Z: 25 32.633 1.932 0.793 0.852 1.000 0.792 CB 1.422 25 residues pruned to eliminate duplicates Z: 29 26.956 1.857 0.627 0.796 0.929 0.714 CB 1.401 29 residues pruned to eliminate duplicates Z: 17 19.184 1.836 0.805 0.763 0.938 0.688 CB 1.222 17 residues pruned to eliminate duplicates Z: 31 25.690 1.822 0.666 0.762 0.933 0.833 CB 1.312 31 residues pruned to eliminate duplicates Z: 39 19.336 1.737 0.493 0.663 0.868 0.579 CB 1.198 39 residues pruned to eliminate duplicates Z: 28 31.189 1.905 0.754 0.864 0.963 0.778 CB 1.368 28 residues pruned to eliminate duplicates Z: 27 28.887 1.924 0.590 0.791 1.000 0.885 CB 1.434 27 residues pruned to eliminate duplicates Z: 24 12.385 1.694 0.593 0.492 0.826 0.348 CB 1.167 24 residues pruned to eliminate duplicates Z: 26 23.024 1.787 0.740 0.715 0.920 0.760 CB 1.325 26 residues pruned to eliminate duplicates Z: 30 19.614 1.762 0.543 0.710 0.828 0.621 CB 1.338 30 residues pruned to eliminate duplicates Z: 28 37.148 2.050 0.753 0.880 0.963 0.926 CB 1.497 28 residues pruned to eliminate duplicates Z: 112 53.786 1.983 0.614 0.753 0.946 0.640 CB 1.346 112 residues pruned to eliminate duplicates Z: 30 33.623 2.006 0.641 0.822 0.966 0.931 CB 1.486 30 residues pruned to eliminate duplicates Z: 26 33.888 2.086 0.646 0.863 1.000 0.880 CB 1.449 26 residues pruned to eliminate duplicates Z: 28 33.115 2.041 0.632 0.895 0.963 0.889 CB 1.425 28 residues pruned to eliminate duplicates Z: 25 39.316 2.130 0.816 0.909 1.000 0.833 CB 1.473 25 residues pruned to eliminate duplicates Z: 27 36.282 2.084 0.977 0.835 0.962 0.769 CB 1.345 27 residues pruned to eliminate duplicates Z: 25 36.671 2.129 0.725 0.915 1.000 0.875 CB 1.440 25 residues pruned to eliminate duplicates Z: 28 36.443 2.045 0.841 0.868 0.963 0.926 CB 1.413 28 residues pruned to eliminate duplicates Z: 29 30.617 2.046 0.704 0.832 0.964 0.821 CB 1.292 29 residues pruned to eliminate duplicates Z: 38 27.355 1.891 0.680 0.637 0.865 0.622 CB 1.440 38 residues pruned to eliminate duplicates Z: 28 37.232 2.078 0.807 0.878 1.000 0.926 CB 1.385 28 residues pruned to eliminate duplicates Z: 29 35.509 2.046 0.885 0.850 0.929 0.750 CB 1.388 29 residues pruned to eliminate duplicates Z: 61 44.317 2.010 0.907 0.752 0.950 0.650 CB 1.254 61 residues pruned to eliminate duplicates Z: 29 37.336 2.046 1.004 0.847 0.964 0.714 CB 1.325 29 residues pruned to eliminate duplicates Z: 25 41.482 2.116 0.979 0.913 1.000 0.792 CB 1.431 25 residues pruned to eliminate duplicates Z: 28 38.667 2.036 1.055 0.873 0.963 0.741 CB 1.345 28 residues pruned to eliminate duplicates Z: 89 47.357 1.986 0.658 0.773 0.932 0.682 CB 1.293 89 residues pruned to eliminate duplicates Z: 28 38.587 2.024 1.033 0.878 0.963 0.704 CB 1.359 28 residues pruned to eliminate duplicates Z: 78 47.563 2.008 0.769 0.765 0.935 0.701 CB 1.290 78 residues pruned to eliminate duplicates Z: 27 40.355 2.091 0.936 0.907 1.000 0.808 CB 1.389 27 residues pruned to eliminate duplicates Z: 32 31.959 1.991 1.043 0.755 0.871 0.677 CB 1.292 34 residues pruned to eliminate duplicates Z: 27 39.833 2.075 1.054 0.928 1.000 0.808 CB 1.283 25 residues pruned to eliminate duplicates Z: 27 37.462 2.095 1.034 0.916 0.962 0.923 CB 1.267 27 residues pruned to eliminate duplicates Z: 29 37.371 2.028 0.998 0.850 0.929 0.750 CB 1.390 29 residues pruned to eliminate duplicates Z: 26 36.722 2.061 0.749 0.847 1.000 0.800 CB 1.512 24 residues pruned to eliminate duplicates Z: 24 44.684 2.189 1.007 0.928 0.957 0.913 CB 1.553 26 residues pruned to eliminate duplicates Z: 24 41.404 2.174 0.910 0.933 0.913 0.783 CB 1.590 24 residues pruned to eliminate duplicates Z: 27 37.569 2.090 0.809 0.808 0.962 0.808 CB 1.549 26 residues pruned to eliminate duplicates Z: 24 39.645 2.148 0.859 0.929 0.957 0.913 CB 1.515 24 residues pruned to eliminate duplicates Z: 50 30.620 1.877 0.694 0.740 0.857 0.714 CB 1.294 50 residues pruned to eliminate duplicates Z: 24 42.557 2.175 0.985 0.942 0.913 0.826 CB 1.562 24 residues pruned to eliminate duplicates Z: 54 32.861 1.893 0.810 0.715 0.887 0.698 CB 1.223 54 residues pruned to eliminate duplicates Z: 50 37.004 1.961 0.779 0.747 0.918 0.694 CB 1.323 50 residues pruned to eliminate duplicates Z: 26 42.615 2.159 0.850 0.864 0.960 0.800 CB 1.630 26 residues pruned to eliminate duplicates Z: 51 31.261 1.867 0.653 0.680 0.920 0.640 CB 1.319 51 residues pruned to eliminate duplicates Z: 45 36.127 2.006 0.862 0.783 0.886 0.705 CB 1.282 45 residues pruned to eliminate duplicates Z: 52 41.082 1.932 0.843 0.763 0.961 0.706 CB 1.332 52 residues pruned to eliminate duplicates Z: 25 43.257 2.103 0.920 0.895 1.000 0.750 CB 1.568 25 residues pruned to eliminate duplicates Z: 25 46.395 2.183 0.918 0.882 1.000 0.833 CB 1.636 25 residues pruned to eliminate duplicates Z: 26 43.903 2.150 0.905 0.842 1.000 0.800 CB 1.598 26 residues pruned to eliminate duplicates Z: 26 47.505 2.155 1.041 0.852 1.000 0.680 CB 1.598 26 residues pruned to eliminate duplicates Z: 54 36.375 1.888 0.827 0.706 0.943 0.585 CB 1.274 54 residues pruned to eliminate duplicates Z: 46 44.945 1.990 0.896 0.802 0.978 0.778 CB 1.395 46 residues pruned to eliminate duplicates Z: 28 36.762 2.079 0.896 0.817 0.926 0.704 CB 1.472 28 residues pruned to eliminate duplicates Z: 34 34.827 1.993 0.871 0.720 0.939 0.667 CB 1.419 34 residues pruned to eliminate duplicates Z: 28 37.635 2.038 0.930 0.778 1.000 0.519 CB 1.441 28 residues pruned to eliminate duplicates Z: 26 26.720 1.944 0.602 0.891 0.960 0.840 CB 1.285 26 residues pruned to eliminate duplicates Z: 25 27.614 1.975 0.464 0.893 1.000 0.833 CB 1.400 25 residues pruned to eliminate duplicates Z: 25 24.560 1.905 0.404 0.871 1.000 0.833 CB 1.367 25 residues pruned to eliminate duplicates Z: 25 31.450 1.976 0.639 0.881 1.000 0.875 CB 1.436 25 residues pruned to eliminate duplicates Z: 26 22.424 1.893 0.414 0.838 0.960 0.800 CB 1.304 26 residues pruned to eliminate duplicates Z: 26 24.542 1.903 0.454 0.872 1.000 0.800 CB 1.293 26 residues pruned to eliminate duplicates Z: 26 25.013 1.950 0.346 0.883 1.000 0.840 CB 1.379 26 residues pruned to eliminate duplicates Z: 26 21.900 1.923 0.268 0.877 0.960 0.840 CB 1.360 26 residues pruned to eliminate duplicates Z: 26 26.553 1.931 0.579 0.845 0.960 0.680 CB 1.349 26 residues pruned to eliminate duplicates Z: 26 29.412 1.950 0.590 0.891 1.000 0.840 CB 1.364 26 residues pruned to eliminate duplicates Z: 20 25.094 1.975 0.531 0.901 1.000 0.842 CB 1.359 20 residues pruned to eliminate duplicates Z: 20 23.210 1.955 0.461 0.857 0.947 0.842 CB 1.450 20 residues pruned to eliminate duplicates Z: 21 23.121 1.887 0.614 0.868 1.000 0.800 CB 1.241 21 residues pruned to eliminate duplicates Z: 26 26.117 1.922 0.479 0.894 1.000 0.880 CB 1.318 26 residues pruned to eliminate duplicates Z: 27 24.627 1.921 0.426 0.863 0.962 0.885 CB 1.345 26 residues pruned to eliminate duplicates Z: 25 22.695 1.931 0.434 0.872 0.917 0.750 CB 1.330 25 residues pruned to eliminate duplicates Z: 21 26.933 1.985 0.528 0.886 1.000 0.950 CB 1.433 21 residues pruned to eliminate duplicates Z: 25 25.112 1.956 0.502 0.882 0.958 0.833 CB 1.318 25 residues pruned to eliminate duplicates Z: 26 29.071 1.969 0.549 0.891 1.000 0.880 CB 1.371 26 residues pruned to eliminate duplicates Z: 26 27.133 1.958 0.507 0.883 1.000 0.840 CB 1.330 26 residues pruned to eliminate duplicates Z: 21 27.289 2.010 0.623 0.875 1.000 0.800 CB 1.361 21 residues pruned to eliminate duplicates Z: 21 27.499 2.000 0.595 0.888 1.000 0.900 CB 1.389 21 residues pruned to eliminate duplicates Z: 23 24.499 1.948 0.547 0.841 1.000 0.727 CB 1.292 23 residues pruned to eliminate duplicates Z: 23 24.434 1.932 0.702 0.809 0.955 0.773 CB 1.268 23 residues pruned to eliminate duplicates Z: 26 30.602 1.920 0.686 0.878 1.000 0.520 CB 1.372 27 residues pruned to eliminate duplicates Z: 28 27.547 1.891 0.571 0.907 0.963 0.815 CB 1.317 28 residues pruned to eliminate duplicates Z: 14 7.933 1.566 0.560 0.730 0.846 0.615 CB 0.865 9 residues pruned to eliminate duplicates Z: 7 4.116 1.474 0.370 0.716 0.833 0.833 CB 0.821 7 residues pruned to eliminate duplicates Z: 25 17.743 1.701 0.553 0.854 1.000 0.625 CB 1.012 25 residues pruned to eliminate duplicates Z: 31 12.317 1.619 0.545 0.560 0.833 0.533 CB 1.018 31 residues pruned to eliminate duplicates Z: 13 6.009 1.583 0.503 0.669 0.583 0.417 CB 1.070 14 residues pruned to eliminate duplicates Z: 10 5.639 1.538 0.533 0.766 0.778 0.667 CB 0.810 10 residues pruned to eliminate duplicates Z: 12 5.243 1.557 0.290 0.401 0.727 0.455 CB 1.202 12 residues pruned to eliminate duplicates Z: 23 9.566 1.637 0.409 0.626 0.864 0.318 CB 0.909 23 residues pruned to eliminate duplicates Z: 18 10.488 1.652 0.432 0.651 0.824 0.529 CB 1.135 18 residues pruned to eliminate duplicates Z: 29 14.846 1.669 0.451 0.738 0.893 0.500 CB 1.047 28 residues pruned to eliminate duplicates Z: 24 17.038 1.689 0.664 0.840 0.913 0.609 CB 1.034 24 residues pruned to eliminate duplicates Z: 10 12.268 1.849 0.607 0.739 1.000 0.667 CB 1.110 10 residues pruned to eliminate duplicates Z: 14 9.986 1.588 0.478 0.702 0.923 0.462 CB 1.063 14 residues pruned to eliminate duplicates Z: 21 12.800 1.699 0.583 0.696 0.850 0.500 CB 1.046 21 residues pruned to eliminate duplicates Z: 20 10.304 1.698 0.598 0.637 0.842 0.421 CB 0.910 20 residues pruned to eliminate duplicates Z: 18 13.831 1.737 0.553 0.759 0.941 0.412 CB 1.049 18 residues pruned to eliminate duplicates Z: 26 10.738 1.646 0.540 0.573 0.800 0.320 CB 0.986 26 residues pruned to eliminate duplicates Z: 19 14.495 1.761 0.697 0.712 0.833 0.444 CB 1.132 19 residues pruned to eliminate duplicates Z: 20 15.976 1.734 0.713 0.694 0.947 0.526 CB 1.091 20 residues pruned to eliminate duplicates Z: 26 15.415 1.725 0.672 0.621 0.920 0.440 CB 1.036 26 residues pruned to eliminate duplicates Z: 20 13.039 1.698 0.480 0.708 0.895 0.579 CB 1.101 20 residues pruned to eliminate duplicates Z: 48 20.982 1.677 0.611 0.637 0.830 0.638 CB 1.201 51 residues pruned to eliminate duplicates Z: 29 16.302 1.622 0.582 0.752 0.929 0.536 CB 1.033 29 residues pruned to eliminate duplicates Z: 44 38.870 2.010 0.654 0.771 0.977 0.744 CB 1.436 44 residues pruned to eliminate duplicates Z: 11 15.615 1.833 0.357 0.766 1.000 0.800 CB 1.568 11 residues pruned to eliminate duplicates Z: 39 32.441 1.874 0.641 0.737 1.000 0.632 CB 1.383 39 residues pruned to eliminate duplicates Z: 36 31.847 1.903 0.664 0.744 0.971 0.714 CB 1.406 36 residues pruned to eliminate duplicates Z: 44 21.988 1.782 0.550 0.632 0.860 0.581 CB 1.246 44 residues pruned to eliminate duplicates Z: 58 34.670 1.855 0.502 0.793 0.965 0.702 CB 1.321 58 residues pruned to eliminate duplicates Z: 71 37.888 1.829 0.760 0.751 0.929 0.471 CB 1.212 71 residues pruned to eliminate duplicates Z: 38 29.956 1.836 0.750 0.752 0.973 0.622 CB 1.259 38 residues pruned to eliminate duplicates Z: 111 54.726 1.962 0.620 0.781 0.955 0.745 CB 1.342 111 residues pruned to eliminate duplicates Z: 18 10.624 1.623 0.405 0.583 0.882 0.294 CB 1.182 18 residues pruned to eliminate duplicates Z: 14 14.414 1.785 0.459 0.671 0.923 0.308 CB 1.421 14 residues pruned to eliminate duplicates Z: 58 30.779 1.839 0.547 0.744 0.947 0.526 CB 1.217 58 residues pruned to eliminate duplicates Z: 59 31.703 1.872 0.542 0.731 0.931 0.534 CB 1.258 59 residues pruned to eliminate duplicates Z: 90 38.667 1.832 0.668 0.756 0.888 0.517 CB 1.203 90 residues pruned to eliminate duplicates Z: 24 10.804 1.784 0.167 0.602 0.826 0.609 CB 1.188 24 residues pruned to eliminate duplicates Z: 24 14.285 1.821 0.270 0.698 0.913 0.739 CB 1.178 24 residues pruned to eliminate duplicates Z: 21 20.372 1.845 0.603 0.788 0.950 0.600 CB 1.258 21 residues pruned to eliminate duplicates Z: 25 15.121 1.784 0.507 0.691 0.833 0.542 CB 1.157 25 residues pruned to eliminate duplicates Z: 86 45.245 1.920 0.703 0.743 0.941 0.565 CB 1.282 86 residues pruned to eliminate duplicates Z: 22 16.242 1.837 0.427 0.718 0.952 0.571 CB 1.166 22 residues pruned to eliminate duplicates Z: 20 18.663 1.875 0.578 0.737 0.947 0.632 CB 1.234 20 residues pruned to eliminate duplicates Z: 32 18.038 1.799 0.546 0.690 0.935 0.645 CB 1.047 32 residues pruned to eliminate duplicates Z: 89 40.023 1.934 0.461 0.731 0.955 0.727 CB 1.285 89 residues pruned to eliminate duplicates Z: 68 35.877 1.857 0.653 0.701 0.940 0.522 CB 1.264 68 residues pruned to eliminate duplicates Z: 22 18.241 1.837 0.485 0.711 0.952 0.571 CB 1.265 22 residues pruned to eliminate duplicates Z: 59 35.453 1.824 0.642 0.764 0.983 0.603 CB 1.251 59 residues pruned to eliminate duplicates Z: 24 15.710 1.776 0.497 0.638 0.913 0.522 CB 1.185 24 residues pruned to eliminate duplicates Z: 34 20.082 1.819 0.506 0.719 0.909 0.485 CB 1.152 34 residues pruned to eliminate duplicates Z: 21 17.776 1.880 0.471 0.726 0.950 0.550 CB 1.233 21 residues pruned to eliminate duplicates Z: 26 13.344 1.786 0.318 0.642 0.880 0.600 CB 1.129 26 residues pruned to eliminate duplicates Z: 95 41.920 1.912 0.588 0.693 0.904 0.532 CB 1.320 95 residues pruned to eliminate duplicates Z: 77 41.164 2.001 0.481 0.793 0.921 0.750 CB 1.338 77 residues pruned to eliminate duplicates Z: 50 28.584 1.946 0.492 0.718 0.898 0.735 CB 1.285 50 residues pruned to eliminate duplicates Z: 32 25.912 2.010 0.474 0.751 0.903 0.774 CB 1.390 32 residues pruned to eliminate duplicates Z: 125 51.571 1.923 0.641 0.728 0.911 0.637 CB 1.311 125 residues pruned to eliminate duplicates Z: 86 38.573 1.912 0.655 0.689 0.882 0.565 CB 1.260 86 residues pruned to eliminate duplicates Z: 47 26.938 1.953 0.428 0.739 0.935 0.761 CB 1.230 47 residues pruned to eliminate duplicates Z: 88 47.842 1.997 0.617 0.791 0.943 0.724 CB 1.305 88 residues pruned to eliminate duplicates Z: 50 33.886 1.995 0.529 0.769 0.959 0.776 CB 1.304 50 residues pruned to eliminate duplicates Z: 96 43.075 1.967 0.522 0.715 0.916 0.632 CB 1.326 96 residues pruned to eliminate duplicates Z: 49 28.450 1.907 0.580 0.654 0.875 0.625 CB 1.350 49 residues pruned to eliminate duplicates Z: 60 34.272 1.963 0.612 0.734 0.898 0.661 CB 1.273 60 residues pruned to eliminate duplicates Z: 87 46.529 1.929 0.675 0.764 0.942 0.547 CB 1.305 87 residues pruned to eliminate duplicates Z: 49 31.809 2.011 0.454 0.763 0.938 0.708 CB 1.326 49 residues pruned to eliminate duplicates Z: 78 47.857 2.031 0.595 0.789 0.961 0.766 CB 1.359 78 residues pruned to eliminate duplicates Z: 57 43.001 2.085 0.625 0.787 0.964 0.768 CB 1.366 57 residues pruned to eliminate duplicates Z: 48 34.062 1.999 0.646 0.748 0.915 0.638 CB 1.321 48 residues pruned to eliminate duplicates Z: 76 43.937 2.006 0.604 0.781 0.893 0.773 CB 1.378 76 residues pruned to eliminate duplicates Z: 28 30.967 2.101 0.760 0.796 0.926 0.741 CB 1.343 28 residues pruned to eliminate duplicates Z: 78 40.996 1.974 0.578 0.759 0.896 0.714 CB 1.329 78 residues pruned to eliminate duplicates Z: 50 26.723 1.883 0.533 0.684 0.878 0.673 CB 1.273 50 residues pruned to eliminate duplicates Z: 82 38.733 1.899 0.672 0.697 0.914 0.580 CB 1.239 82 residues pruned to eliminate duplicates Z: 153 61.510 1.943 0.749 0.738 0.921 0.579 CB 1.288 153 residues pruned to eliminate duplicates Z: 57 45.256 2.066 0.660 0.807 0.946 0.821 CB 1.425 57 residues pruned to eliminate duplicates Z: 88 48.234 1.986 0.708 0.779 0.954 0.598 CB 1.250 88 residues pruned to eliminate duplicates Z: 23 39.873 2.174 0.966 0.935 1.000 0.727 CB 1.386 23 residues pruned to eliminate duplicates Z: 35 24.002 1.968 0.708 0.688 0.853 0.471 CB 1.209 35 residues pruned to eliminate duplicates Z: 111 56.384 1.974 0.713 0.772 0.945 0.618 CB 1.322 113 residues pruned to eliminate duplicates Z: 24 41.253 2.180 0.891 0.941 1.000 0.696 CB 1.448 24 residues pruned to eliminate duplicates Z: 10 15.813 1.768 0.514 0.899 1.000 0.889 CB 1.407 12 residues pruned to eliminate duplicates Z: 12 12.173 1.659 0.494 0.804 0.909 0.727 CB 1.249 12 residues pruned to eliminate duplicates Z: 30 22.394 1.871 0.704 0.649 0.966 0.655 CB 1.176 30 residues pruned to eliminate duplicates Z: 16 11.425 1.702 0.597 0.607 0.867 0.733 CB 1.131 12 residues pruned to eliminate duplicates Z: 9 16.301 1.774 0.715 0.916 1.000 0.875 CA 1.339 9 residues pruned to eliminate duplicates Z: 14 12.334 1.757 0.602 0.664 0.923 0.769 CB 1.131 14 residues pruned to eliminate duplicates Z: 31 21.206 1.835 0.761 0.672 0.900 0.633 CB 1.136 31 residues pruned to eliminate duplicates Z: 12 15.087 1.790 0.773 0.669 1.000 0.545 CB 1.226 12 residues pruned to eliminate duplicates Z: 10 15.447 1.973 0.693 0.915 1.000 0.556 CB 1.089 9 residues pruned to eliminate duplicates Z: 10 16.987 2.024 0.708 0.914 1.000 0.444 CB 1.158 10 residues pruned to eliminate duplicates Z: 10 13.209 1.966 0.523 0.914 1.000 0.667 CB 1.040 10 residues pruned to eliminate duplicates Z: 63 26.461 1.897 0.654 0.613 0.871 0.597 CB 1.105 65 residues pruned to eliminate duplicates Z: 10 18.553 2.021 0.810 0.915 1.000 0.667 CB 1.195 10 residues pruned to eliminate duplicates Z: 44 25.582 1.902 0.625 0.660 0.907 0.605 CB 1.199 44 residues pruned to eliminate duplicates Z: 42 26.986 1.968 0.487 0.686 0.927 0.732 CB 1.310 42 residues pruned to eliminate duplicates Z: 36 20.428 1.910 0.538 0.576 0.886 0.543 CB 1.233 36 residues pruned to eliminate duplicates Z: 40 22.063 1.873 0.625 0.613 0.923 0.513 CB 1.130 40 residues pruned to eliminate duplicates Z: 22 14.731 1.967 0.586 0.625 0.952 0.714 CB 0.962 22 residues pruned to eliminate duplicates Z: 35 24.146 1.948 0.502 0.622 0.971 0.765 CA 1.299 35 residues pruned to eliminate duplicates Z: 19 15.124 1.972 0.662 0.539 0.889 0.667 CB 1.178 19 residues pruned to eliminate duplicates Z: 15 13.874 2.018 0.606 0.641 0.929 0.857 CB 1.080 15 residues pruned to eliminate duplicates Z: 20 15.328 1.975 0.619 0.553 0.895 0.579 CB 1.167 20 residues pruned to eliminate duplicates Z: 21 12.868 1.919 0.614 0.503 0.850 0.600 CB 1.089 21 residues pruned to eliminate duplicates Z: 7 5.246 1.591 0.640 0.499 0.667 0.333 N 1.233 7 residues pruned to eliminate duplicates 7 1.438 1.536 0.797 0.094 0.500 0.167 CB 0.716 ? Z: 21 17.621 2.018 0.586 0.698 1.000 0.600 CB 1.027 21 residues pruned to eliminate duplicates Z: 14 4.518 1.724 0.543 0.457 0.769 0.615 CB 0.640 14 residues pruned to eliminate duplicates Z: 24 21.638 1.879 0.564 0.689 0.913 0.652 CA 1.414 24 residues pruned to eliminate duplicates Z: 19 28.702 1.967 0.715 0.807 1.000 0.833 CA 1.535 19 residues pruned to eliminate duplicates Z: 44 29.093 1.911 0.710 0.675 0.953 0.767 CB 1.211 44 residues pruned to eliminate duplicates Z: 42 27.811 1.955 0.673 0.701 0.927 0.780 CB 1.193 42 residues pruned to eliminate duplicates Z: 21 25.198 1.922 0.765 0.747 0.950 0.650 CB 1.403 21 residues pruned to eliminate duplicates Z: 28 20.492 1.774 0.758 0.576 0.889 0.519 CB 1.322 28 residues pruned to eliminate duplicates Z: 26 25.400 1.883 0.811 0.707 0.960 0.640 CB 1.285 26 residues pruned to eliminate duplicates Z: 45 27.377 1.919 0.582 0.642 0.932 0.705 CB 1.277 45 residues pruned to eliminate duplicates Z: 45 27.535 1.924 0.692 0.666 0.932 0.659 CB 1.174 45 residues pruned to eliminate duplicates Z: 41 33.264 1.977 0.866 0.709 0.975 0.575 CB 1.210 41 residues pruned to eliminate duplicates Z: 45 29.716 1.943 0.683 0.652 0.932 0.705 CB 1.276 45 residues pruned to eliminate duplicates Z: 45 27.527 1.883 0.729 0.660 0.955 0.614 CB 1.151 45 residues pruned to eliminate duplicates Z: 46 28.611 1.896 0.723 0.648 0.933 0.622 CB 1.218 46 residues pruned to eliminate duplicates Z: 42 29.872 1.976 0.701 0.701 0.976 0.659 CB 1.185 42 residues pruned to eliminate duplicates Z: 42 27.533 1.978 0.679 0.662 0.927 0.537 CB 1.203 42 residues pruned to eliminate duplicates Z: 30 15.151 1.784 0.526 0.579 0.793 0.517 CB 1.207 30 residues pruned to eliminate duplicates Z: 24 27.278 1.877 0.972 0.717 0.913 0.304 CB 1.383 24 residues pruned to eliminate duplicates Z: 23 24.942 1.871 0.871 0.763 0.955 0.455 CB 1.259 23 residues pruned to eliminate duplicates Z: 50 31.385 1.900 0.694 0.737 0.939 0.592 CB 1.200 50 residues pruned to eliminate duplicates Z: 50 32.237 1.910 0.718 0.722 0.959 0.612 CB 1.197 50 residues pruned to eliminate duplicates Z: 11 11.291 1.605 0.595 0.795 0.900 0.400 CA 1.198 11 residues pruned to eliminate duplicates Z: 52 28.466 1.848 0.760 0.702 0.902 0.490 CB 1.130 52 residues pruned to eliminate duplicates Z: 35 31.642 1.838 0.825 0.788 0.971 0.618 CB 1.294 35 residues pruned to eliminate duplicates Z: 9 6.596 1.512 0.467 0.677 1.000 0.625 CB 0.893 9 residues pruned to eliminate duplicates Z: 6 5.239 1.697 0.385 0.483 0.800 0.600 CB 1.267 6 residues pruned to eliminate duplicates Z: 9 6.588 1.587 0.289 0.474 0.875 0.500 N 1.337 9 residues pruned to eliminate duplicates 374 residues left after pruning, divided into chains as follows: A: 17 B: 26 C: 161 D: 14 E: 156 CC for partial structure against native data = 46.88 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.454, Connect. = 0.699 for dens.mod. cycle 1 = 0.300, Contrast = 0.523, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.627, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.637, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.649, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.654, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.659, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.661, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.663, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.664, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1257 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 371 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 44.984 2.150 0.928 0.930 1.000 0.875 CB 1.549 B: 16 25.938 2.098 0.648 0.915 1.000 0.733 CB 1.369 C: 16 28.364 2.119 0.711 0.934 1.000 0.800 CB 1.409 D: 24 33.798 2.097 0.692 0.862 1.000 0.783 CB 1.459 E: 24 29.096 2.114 0.449 0.885 1.000 0.870 CB 1.430 24 residues pruned to eliminate duplicates F: 24 39.966 2.172 0.794 0.949 0.957 0.870 CB 1.544 24 residues pruned to eliminate duplicates G: 25 37.904 2.131 0.559 0.921 1.000 0.875 CB 1.640 25 residues pruned to eliminate duplicates H: 24 37.725 2.170 0.658 0.917 1.000 0.739 CB 1.542 24 residues pruned to eliminate duplicates I: 17 31.154 2.084 0.756 0.904 1.000 0.875 CB 1.517 16 residues pruned to eliminate duplicates J: 15 23.343 2.117 0.499 0.932 1.000 0.786 CB 1.373 15 residues pruned to eliminate duplicates K: 23 31.479 2.162 0.543 0.928 1.000 0.864 CB 1.410 23 residues pruned to eliminate duplicates L: 24 30.849 2.101 0.538 0.923 1.000 0.870 CB 1.398 24 residues pruned to eliminate duplicates M: 24 48.494 2.171 1.114 0.924 1.000 0.696 CB 1.547 25 residues pruned to eliminate duplicates N: 23 50.119 2.225 1.141 0.932 1.000 0.682 CB 1.567 23 residues pruned to eliminate duplicates O: 17 21.076 1.988 0.318 0.901 1.000 0.875 CA 1.435 16 residues pruned to eliminate duplicates P: 24 42.161 2.162 0.842 0.942 1.000 0.913 CB 1.532 25 residues pruned to eliminate duplicates Q: 26 34.181 2.068 0.820 0.895 0.960 0.760 CB 1.356 R: 14 19.235 1.860 0.673 0.879 0.846 0.692 N 1.470 S: 18 31.719 1.955 0.776 0.928 1.000 0.941 CB 1.551 17 residues pruned to eliminate duplicates T: 17 30.886 2.105 0.723 0.911 1.000 0.875 CB 1.509 17 residues pruned to eliminate duplicates U: 24 32.607 2.136 0.760 0.896 1.000 0.696 CB 1.295 25 residues pruned to eliminate duplicates V: 28 34.270 2.007 0.901 0.902 0.963 0.852 CB 1.280 26 residues pruned to eliminate duplicates W: 32 32.127 1.888 0.747 0.899 0.968 0.774 CB 1.292 X: 25 40.483 2.114 0.900 0.918 0.958 0.833 CB 1.514 25 residues pruned to eliminate duplicates Y: 16 29.841 2.107 0.841 0.923 1.000 0.867 CB 1.396 16 residues pruned to eliminate duplicates Z: 23 43.492 2.201 0.735 0.948 1.000 0.955 CB 1.677 23 residues pruned to eliminate duplicates Z: 23 31.145 2.104 0.529 0.899 1.000 0.909 CB 1.475 22 residues pruned to eliminate duplicates Z: 14 15.472 1.925 0.180 0.800 0.923 0.769 CA 1.573 14 residues pruned to eliminate duplicates Z: 29 24.857 1.768 0.801 0.874 0.893 0.643 CB 1.202 Z: 28 26.653 1.959 0.403 0.883 0.963 0.852 CB 1.401 28 residues pruned to eliminate duplicates Z: 25 52.421 2.152 1.175 0.931 1.000 0.792 CB 1.597 24 residues pruned to eliminate duplicates Z: 11 18.447 2.016 0.407 0.876 0.900 0.700 CA 1.661 11 residues pruned to eliminate duplicates Z: 9 9.724 2.080 -0.101 0.917 1.000 1.000 CB 1.297 Z: 12 16.663 2.005 0.082 0.892 1.000 0.909 CA 1.664 12 residues pruned to eliminate duplicates Z: 24 45.095 2.172 0.944 0.924 1.000 0.957 CB 1.564 23 residues pruned to eliminate duplicates Z: 15 18.084 1.929 0.159 0.898 1.000 0.929 CB 1.546 15 residues pruned to eliminate duplicates Z: 9 13.814 2.113 0.467 0.899 1.000 0.875 CB 1.126 9 residues pruned to eliminate duplicates Z: 20 20.990 1.889 0.544 0.898 0.947 0.789 CB 1.247 Z: 27 27.895 1.899 0.565 0.871 1.000 0.885 CB 1.343 Z: 26 32.437 2.046 0.722 0.902 1.000 0.840 CB 1.313 26 residues pruned to eliminate duplicates Z: 17 32.375 2.078 0.964 0.855 0.938 0.812 CB 1.561 17 residues pruned to eliminate duplicates Z: 15 21.017 2.069 0.484 0.905 0.929 0.857 CB 1.402 15 residues pruned to eliminate duplicates Z: 20 23.517 1.856 0.835 0.885 0.895 0.842 CB 1.278 20 residues pruned to eliminate duplicates Z: 16 28.895 2.074 0.605 0.896 1.000 0.800 CB 1.605 16 residues pruned to eliminate duplicates Z: 17 26.746 2.030 0.646 0.917 1.000 0.812 CB 1.412 17 residues pruned to eliminate duplicates Z: 29 25.656 1.912 0.300 0.898 1.000 0.964 CB 1.396 29 residues pruned to eliminate duplicates Z: 25 50.012 2.146 1.121 0.928 1.000 0.667 CB 1.571 25 residues pruned to eliminate duplicates Z: 25 34.516 2.073 0.599 0.906 1.000 0.917 CA 1.511 25 residues pruned to eliminate duplicates Z: 26 29.975 2.028 0.415 0.922 1.000 0.920 CB 1.469 26 residues pruned to eliminate duplicates Z: 25 29.440 1.947 0.711 0.905 0.958 0.875 CB 1.340 26 residues pruned to eliminate duplicates Z: 22 31.281 2.145 0.684 0.918 0.952 0.810 CB 1.399 22 residues pruned to eliminate duplicates Z: 13 26.285 1.985 0.758 0.882 1.000 0.667 CA 1.573 14 residues pruned to eliminate duplicates Z: 17 20.505 1.977 0.408 0.901 0.938 0.812 CB 1.402 17 residues pruned to eliminate duplicates Z: 32 29.833 1.892 0.599 0.884 0.968 0.839 CB 1.322 32 residues pruned to eliminate duplicates Z: 27 26.320 1.906 0.513 0.883 0.962 0.846 CB 1.347 27 residues pruned to eliminate duplicates Z: 13 16.178 1.781 0.660 0.894 0.917 0.833 CB 1.236 Z: 24 33.644 2.103 0.554 0.917 1.000 1.000 CB 1.515 24 residues pruned to eliminate duplicates Z: 23 38.715 2.158 0.693 0.926 1.000 0.864 CB 1.584 23 residues pruned to eliminate duplicates Z: 16 19.131 2.012 0.324 0.905 0.933 0.867 CB 1.414 16 residues pruned to eliminate duplicates Z: 28 31.118 1.984 0.588 0.922 0.963 0.963 CB 1.389 28 residues pruned to eliminate duplicates Z: 20 28.064 1.907 0.804 0.894 0.947 0.789 CB 1.417 20 residues pruned to eliminate duplicates Z: 26 30.008 2.057 0.569 0.907 1.000 0.960 CB 1.321 26 residues pruned to eliminate duplicates Z: 17 26.387 2.085 0.698 0.878 0.938 0.750 CB 1.442 17 residues pruned to eliminate duplicates Z: 24 33.548 2.115 0.695 0.934 1.000 0.652 CB 1.361 24 residues pruned to eliminate duplicates Z: 19 19.669 1.911 0.240 0.901 1.000 0.944 CB 1.396 19 residues pruned to eliminate duplicates Z: 11 16.827 1.809 0.703 0.827 0.900 0.800 CB 1.446 11 residues pruned to eliminate duplicates Z: 24 46.603 2.183 0.817 0.911 1.000 0.913 CA 1.736 24 residues pruned to eliminate duplicates Z: 19 30.597 1.980 0.776 0.910 1.000 0.833 CB 1.454 20 residues pruned to eliminate duplicates Z: 20 22.924 1.958 0.326 0.926 1.000 1.000 CB 1.420 20 residues pruned to eliminate duplicates Z: 25 29.038 2.076 0.737 0.897 0.958 0.750 CB 1.227 25 residues pruned to eliminate duplicates Z: 16 24.941 2.078 0.839 0.928 0.933 0.800 CB 1.264 16 residues pruned to eliminate duplicates Z: 17 22.432 1.996 0.786 0.888 0.875 0.812 CB 1.296 18 residues pruned to eliminate duplicates Z: 26 33.613 2.071 0.792 0.902 1.000 0.840 CB 1.293 26 residues pruned to eliminate duplicates Z: 24 31.478 2.109 0.723 0.911 1.000 0.739 CB 1.280 24 residues pruned to eliminate duplicates Z: 14 16.714 2.068 0.464 0.672 1.000 0.923 CB 1.307 9 residues pruned to eliminate duplicates Z: 26 31.163 2.033 0.583 0.915 0.960 0.920 CB 1.426 26 residues pruned to eliminate duplicates Z: 25 26.745 2.029 0.461 0.890 0.958 0.917 CB 1.383 25 residues pruned to eliminate duplicates Z: 27 33.694 2.014 0.837 0.922 1.000 0.808 CB 1.256 27 residues pruned to eliminate duplicates Z: 26 33.823 2.079 0.909 0.860 1.000 0.640 CB 1.253 24 residues pruned to eliminate duplicates Z: 27 28.159 1.901 0.646 0.888 0.962 0.731 CB 1.323 27 residues pruned to eliminate duplicates Z: 19 24.865 1.939 0.716 0.932 0.944 0.833 CB 1.303 12 residues pruned to eliminate duplicates Z: 8 5.945 2.023 -0.202 0.843 0.857 0.857 CB 1.210 8 residues pruned to eliminate duplicates Z: 13 19.989 1.890 0.599 0.822 0.917 0.583 CB 1.576 13 residues pruned to eliminate duplicates Z: 10 21.012 2.054 0.711 0.804 0.889 0.556 CA 1.719 10 residues pruned to eliminate duplicates Z: 15 20.301 1.754 0.830 0.838 0.857 0.786 CA 1.474 15 residues pruned to eliminate duplicates Z: 25 26.995 2.043 0.366 0.879 1.000 0.708 CB 1.432 25 residues pruned to eliminate duplicates Z: 30 24.745 1.881 0.571 0.872 0.931 0.828 CB 1.217 20 residues pruned to eliminate duplicates Z: 26 16.286 1.658 0.482 0.882 1.000 0.800 CB 0.960 Z: 32 23.004 1.709 0.518 0.867 1.000 0.742 CB 1.166 Z: 23 21.734 1.829 0.920 0.858 1.000 0.682 CB 0.972 24 residues pruned to eliminate duplicates Z: 14 15.815 1.912 0.461 0.839 0.769 0.692 CA 1.525 13 residues pruned to eliminate duplicates Z: 19 22.861 1.919 0.544 0.920 0.944 0.944 CB 1.357 19 residues pruned to eliminate duplicates Z: 26 29.680 2.022 0.484 0.901 1.000 0.960 CA 1.412 26 residues pruned to eliminate duplicates Z: 19 26.761 2.073 0.510 0.891 0.944 0.944 CB 1.534 19 residues pruned to eliminate duplicates Z: 10 17.834 1.765 0.738 0.915 1.000 0.889 CA 1.370 Z: 27 24.601 1.955 0.609 0.840 0.923 0.731 CB 1.240 27 residues pruned to eliminate duplicates Z: 28 26.586 1.858 0.766 0.880 0.926 0.852 CB 1.220 28 residues pruned to eliminate duplicates Z: 20 17.370 1.716 0.554 0.841 0.947 0.737 CB 1.176 20 residues pruned to eliminate duplicates Z: 19 21.311 1.888 0.524 0.909 0.944 0.833 CB 1.311 19 residues pruned to eliminate duplicates Z: 27 34.025 2.026 0.716 0.920 1.000 0.923 CB 1.352 27 residues pruned to eliminate duplicates Z: 25 47.123 2.114 0.969 0.939 1.000 0.750 CB 1.605 25 residues pruned to eliminate duplicates Z: 22 26.682 1.829 0.743 0.858 1.000 0.667 CB 1.345 22 residues pruned to eliminate duplicates Z: 23 37.482 2.179 0.564 0.933 1.000 0.955 CB 1.636 23 residues pruned to eliminate duplicates Z: 21 21.204 1.773 0.504 0.901 0.950 0.900 CB 1.336 20 residues pruned to eliminate duplicates Z: 19 26.938 1.911 0.691 0.893 1.000 0.778 CB 1.410 19 residues pruned to eliminate duplicates Z: 24 19.720 1.820 0.977 0.865 0.826 0.478 CB 1.013 24 residues pruned to eliminate duplicates Z: 19 25.653 1.935 0.788 0.922 1.000 0.667 CB 1.229 19 residues pruned to eliminate duplicates Z: 24 36.255 2.152 0.664 0.898 0.957 0.913 CB 1.579 24 residues pruned to eliminate duplicates Z: 25 23.560 1.903 0.427 0.913 0.958 0.958 CB 1.308 25 residues pruned to eliminate duplicates Z: 20 23.865 1.865 0.547 0.933 1.000 0.842 CB 1.324 20 residues pruned to eliminate duplicates Z: 15 14.350 1.763 0.469 0.911 1.000 0.786 CB 1.049 15 residues pruned to eliminate duplicates Z: 25 37.185 2.104 0.547 0.946 1.000 0.958 CB 1.614 25 residues pruned to eliminate duplicates Z: 23 27.784 2.038 0.430 0.885 1.000 0.909 CB 1.467 23 residues pruned to eliminate duplicates Z: 23 41.450 2.181 0.940 0.892 1.000 0.727 CB 1.501 23 residues pruned to eliminate duplicates Z: 7 7.858 1.806 0.497 0.787 0.833 0.333 CB 1.106 7 residues pruned to eliminate duplicates Z: 11 19.926 1.934 0.569 0.896 1.000 0.800 N 1.487 11 residues pruned to eliminate duplicates Z: 10 12.435 1.730 0.412 0.836 1.000 0.889 CB 1.270 Z: 29 22.769 1.799 0.584 0.877 1.000 0.607 CB 1.097 30 residues pruned to eliminate duplicates Z: 27 30.859 2.007 0.550 0.896 1.000 0.923 CB 1.394 27 residues pruned to eliminate duplicates Z: 17 26.187 1.995 0.767 0.902 1.000 0.812 CB 1.325 16 residues pruned to eliminate duplicates Z: 29 20.478 1.721 0.742 0.858 0.929 0.786 CB 1.024 29 residues pruned to eliminate duplicates Z: 31 28.419 1.867 0.707 0.891 1.000 0.667 CB 1.170 31 residues pruned to eliminate duplicates Z: 20 28.762 1.927 0.740 0.913 0.947 0.789 CA 1.469 20 residues pruned to eliminate duplicates Z: 15 21.190 1.841 0.622 0.890 1.000 0.857 CB 1.364 15 residues pruned to eliminate duplicates Z: 8 12.022 1.800 0.640 0.896 0.857 0.857 CB 1.287 8 residues pruned to eliminate duplicates Z: 25 28.379 1.951 0.605 0.918 0.958 0.875 CB 1.362 25 residues pruned to eliminate duplicates Z: 26 28.563 1.926 0.589 0.905 1.000 0.840 CB 1.328 26 residues pruned to eliminate duplicates Z: 26 16.560 1.682 0.501 0.853 1.000 0.640 CB 0.969 26 residues pruned to eliminate duplicates Z: 27 33.301 2.020 0.755 0.904 1.000 0.808 CB 1.312 27 residues pruned to eliminate duplicates Z: 14 13.517 1.819 0.182 0.899 1.000 0.923 CB 1.247 14 residues pruned to eliminate duplicates Z: 10 15.653 1.759 0.631 0.848 1.000 0.889 CB 1.349 10 residues pruned to eliminate duplicates Z: 24 30.075 2.105 0.616 0.891 0.957 0.826 CB 1.385 24 residues pruned to eliminate duplicates Z: 6 8.495 1.851 0.349 0.880 1.000 1.000 CB 1.103 Z: 15 27.656 1.994 0.838 0.916 1.000 0.786 CA 1.424 15 residues pruned to eliminate duplicates Z: 16 27.035 2.095 0.730 0.878 1.000 0.600 CB 1.398 16 residues pruned to eliminate duplicates Z: 15 18.339 1.856 0.677 0.915 1.000 0.857 CB 1.112 15 residues pruned to eliminate duplicates Z: 19 22.673 1.917 0.404 0.944 1.000 0.889 CB 1.375 19 residues pruned to eliminate duplicates Z: 12 5.886 1.327 0.613 0.805 0.909 0.636 CB 0.699 10 residues pruned to eliminate duplicates Z: 30 24.709 1.736 0.579 0.888 1.000 0.793 CB 1.206 31 residues pruned to eliminate duplicates Z: 27 20.301 1.856 0.344 0.875 0.962 0.923 CB 1.208 27 residues pruned to eliminate duplicates Z: 16 11.856 1.963 0.340 0.629 0.933 0.867 CB 1.104 15 residues pruned to eliminate duplicates Z: 29 20.496 1.792 0.495 0.874 0.964 0.857 CB 1.090 29 residues pruned to eliminate duplicates Z: 25 34.261 2.051 0.692 0.913 1.000 0.875 CB 1.426 25 residues pruned to eliminate duplicates Z: 25 27.518 2.040 0.579 0.897 1.000 0.583 CB 1.247 25 residues pruned to eliminate duplicates Z: 32 35.166 1.905 0.856 0.788 0.935 0.581 CB 1.482 34 residues pruned to eliminate duplicates Z: 25 24.215 2.041 0.548 0.840 0.958 0.875 CB 1.218 25 residues pruned to eliminate duplicates Z: 22 13.780 1.702 0.585 0.823 0.810 0.667 CB 1.041 22 residues pruned to eliminate duplicates Z: 12 10.937 1.660 0.367 0.890 0.909 0.636 CB 1.150 12 residues pruned to eliminate duplicates Z: 9 11.250 2.117 0.013 0.926 1.000 1.000 CB 1.301 9 residues pruned to eliminate duplicates Z: 21 25.452 1.899 0.542 0.913 1.000 0.950 CA 1.375 21 residues pruned to eliminate duplicates Z: 16 25.657 2.039 0.679 0.920 1.000 0.733 CB 1.363 16 residues pruned to eliminate duplicates Z: 24 12.246 1.910 0.270 0.654 0.870 0.696 CB 1.049 28 residues pruned to eliminate duplicates Z: 26 26.828 2.031 0.443 0.886 1.000 0.880 CB 1.321 26 residues pruned to eliminate duplicates Z: 29 24.314 1.877 0.649 0.675 0.929 0.571 CB 1.360 29 residues pruned to eliminate duplicates Z: 24 26.445 2.081 0.356 0.946 1.000 0.957 CB 1.351 24 residues pruned to eliminate duplicates Z: 19 25.567 1.870 0.762 0.909 1.000 0.778 CB 1.298 19 residues pruned to eliminate duplicates Z: 11 12.255 1.783 0.410 0.852 1.000 0.700 CB 1.141 11 residues pruned to eliminate duplicates Z: 33 22.867 1.932 0.478 0.774 0.906 0.750 CB 1.226 33 residues pruned to eliminate duplicates Z: 14 5.779 1.542 0.329 0.464 0.769 0.615 CB 1.056 14 residues pruned to eliminate duplicates Z: 20 25.537 1.893 0.596 0.904 0.947 0.895 CB 1.458 20 residues pruned to eliminate duplicates Z: 26 27.553 2.032 0.608 0.887 0.960 0.800 CB 1.267 26 residues pruned to eliminate duplicates Z: 19 21.974 1.845 0.841 0.932 0.944 0.722 CB 1.128 19 residues pruned to eliminate duplicates Z: 31 29.530 1.907 0.781 0.885 0.967 0.733 CB 1.185 31 residues pruned to eliminate duplicates Z: 7 10.302 1.874 0.314 0.852 1.000 1.000 CB 1.263 6 residues pruned to eliminate duplicates Z: 13 16.068 1.886 0.840 0.888 1.000 0.417 CB 0.963 13 residues pruned to eliminate duplicates Z: 8 14.802 2.140 0.436 0.906 1.000 0.857 CB 1.295 8 residues pruned to eliminate duplicates Z: 25 43.154 2.142 0.812 0.926 1.000 0.792 CB 1.591 25 residues pruned to eliminate duplicates Z: 13 26.237 1.984 0.744 0.934 1.000 0.917 CA 1.528 13 residues pruned to eliminate duplicates Z: 19 15.606 1.780 0.205 0.855 1.000 0.778 CB 1.266 19 residues pruned to eliminate duplicates Z: 25 48.410 2.103 1.173 0.942 0.958 0.500 CB 1.565 25 residues pruned to eliminate duplicates Z: 15 16.651 1.822 0.552 0.774 0.857 0.786 CA 1.440 15 residues pruned to eliminate duplicates Z: 15 13.204 1.872 0.029 0.822 1.000 0.857 CB 1.386 15 residues pruned to eliminate duplicates Z: 10 16.232 1.670 0.620 0.884 1.000 0.778 O 1.445 10 residues pruned to eliminate duplicates Z: 10 14.126 1.773 0.462 0.921 1.000 0.889 CB 1.279 10 residues pruned to eliminate duplicates Z: 20 18.059 1.867 0.165 0.924 1.000 1.000 CB 1.338 20 residues pruned to eliminate duplicates Z: 27 33.521 2.026 0.789 0.901 1.000 0.846 CB 1.295 27 residues pruned to eliminate duplicates Z: 12 6.447 1.434 0.461 0.833 1.000 0.545 CB 0.696 12 residues pruned to eliminate duplicates Z: 25 37.785 2.084 0.859 0.918 1.000 0.750 CB 1.403 25 residues pruned to eliminate duplicates Z: 18 19.738 1.867 0.369 0.890 1.000 0.824 CB 1.347 18 residues pruned to eliminate duplicates Z: 11 7.888 1.686 0.466 0.893 0.900 0.600 CB 0.805 11 residues pruned to eliminate duplicates Z: 14 24.084 1.941 0.676 0.890 1.000 0.923 CA 1.477 14 residues pruned to eliminate duplicates Z: 24 48.186 2.196 0.943 0.939 1.000 0.957 CB 1.636 24 residues pruned to eliminate duplicates Z: 11 14.583 1.726 0.684 0.860 1.000 0.600 CB 1.167 11 residues pruned to eliminate duplicates Z: 23 31.805 2.111 0.940 0.915 1.000 0.682 CB 1.170 23 residues pruned to eliminate duplicates Z: 26 16.183 1.763 0.522 0.728 0.840 0.600 CB 1.170 57 residues pruned to eliminate duplicates Z: 15 21.286 2.042 0.767 0.903 1.000 0.857 CB 1.123 15 residues pruned to eliminate duplicates Z: 24 18.855 1.854 0.539 0.822 0.957 0.783 CB 1.089 Z: 9 13.722 2.108 0.498 0.884 1.000 0.750 CB 1.110 9 residues pruned to eliminate duplicates Z: 14 12.073 1.810 0.755 0.725 1.000 0.769 CB 0.861 14 residues pruned to eliminate duplicates Z: 9 9.383 1.659 0.217 0.909 1.000 1.000 CB 1.166 9 residues pruned to eliminate duplicates Z: 8 19.227 1.925 0.928 0.892 1.000 0.857 CB 1.407 9 residues pruned to eliminate duplicates Z: 18 20.660 1.803 0.687 0.884 1.000 0.706 CB 1.191 18 residues pruned to eliminate duplicates Z: 10 12.361 1.715 0.424 0.832 1.000 0.778 CB 1.266 10 residues pruned to eliminate duplicates Z: 17 14.367 1.665 0.849 0.708 0.938 0.688 CB 1.030 17 residues pruned to eliminate duplicates Z: 9 13.386 1.966 0.360 0.890 1.000 1.000 CB 1.274 9 residues pruned to eliminate duplicates Z: 6 4.656 1.783 0.570 0.572 0.600 0.600 CB 1.157 Z: 9 4.157 1.744 0.327 0.426 0.500 0.375 CB 1.371 7 residues pruned to eliminate duplicates Z: 21 21.282 1.760 0.593 0.873 0.950 0.850 CB 1.301 21 residues pruned to eliminate duplicates Z: 16 19.953 1.840 0.766 0.854 0.933 0.667 CB 1.255 13 residues pruned to eliminate duplicates Z: 12 10.612 1.734 0.324 0.736 1.000 0.818 CB 1.128 12 residues pruned to eliminate duplicates Z: 20 27.125 1.855 0.670 0.820 1.000 0.842 CB 1.523 20 residues pruned to eliminate duplicates Z: 10 3.922 1.384 0.882 0.258 0.778 0.333 CB 0.852 Z: 23 29.690 2.110 0.536 0.927 1.000 0.955 CB 1.369 23 residues pruned to eliminate duplicates Z: 19 23.357 1.895 0.464 0.920 1.000 0.889 CB 1.398 19 residues pruned to eliminate duplicates Z: 8 11.820 1.884 0.226 0.860 1.000 0.857 CB 1.422 8 residues pruned to eliminate duplicates Z: 25 47.102 2.151 1.048 0.939 1.000 0.750 CB 1.517 25 residues pruned to eliminate duplicates Z: 19 29.605 1.923 0.790 0.911 1.000 0.722 CB 1.437 19 residues pruned to eliminate duplicates Z: 12 5.012 1.723 0.332 0.363 0.727 0.545 CB 1.049 12 residues pruned to eliminate duplicates Z: 30 26.512 1.753 0.759 0.867 0.897 0.586 CB 1.303 30 residues pruned to eliminate duplicates Z: 10 9.326 1.550 0.603 0.724 0.889 0.333 N 1.150 8 residues pruned to eliminate duplicates Z: 19 27.984 1.959 0.760 0.917 1.000 0.889 CB 1.349 19 residues pruned to eliminate duplicates Z: 25 31.159 2.043 0.608 0.899 1.000 0.958 CB 1.384 25 residues pruned to eliminate duplicates Z: 10 12.308 1.738 0.469 0.879 1.000 0.778 CB 1.165 10 residues pruned to eliminate duplicates Z: 25 37.486 2.076 0.658 0.915 1.000 0.917 CB 1.571 25 residues pruned to eliminate duplicates Z: 27 33.828 2.046 0.777 0.935 1.000 0.962 CB 1.271 27 residues pruned to eliminate duplicates Z: 11 7.564 1.743 0.184 0.583 0.900 0.700 O 1.189 11 residues pruned to eliminate duplicates Z: 23 27.245 1.848 0.878 0.873 0.955 0.773 CB 1.277 16 residues pruned to eliminate duplicates Z: 8 13.737 2.103 0.323 0.881 1.000 0.857 CB 1.352 8 residues pruned to eliminate duplicates Z: 27 30.931 2.017 0.800 0.901 0.962 0.885 CB 1.240 27 residues pruned to eliminate duplicates Z: 26 26.226 2.028 0.348 0.902 1.000 0.920 CB 1.368 26 residues pruned to eliminate duplicates Z: 7 9.274 1.845 0.329 0.862 1.000 1.000 CB 1.134 7 residues pruned to eliminate duplicates Z: 8 12.504 2.026 0.510 0.892 1.000 0.714 CB 1.110 8 residues pruned to eliminate duplicates Z: 10 15.380 1.697 0.682 0.898 1.000 0.778 CB 1.285 11 residues pruned to eliminate duplicates Z: 8 9.212 1.333 0.939 0.824 1.000 0.857 CB 1.017 8 residues pruned to eliminate duplicates Z: 16 12.151 1.711 0.797 0.816 0.933 0.267 CB 0.831 16 residues pruned to eliminate duplicates Z: 7 3.300 1.643 0.534 0.599 0.500 0.333 CB 0.972 7 residues pruned to eliminate duplicates Z: 21 21.666 1.785 0.560 0.812 1.000 0.700 CB 1.325 21 residues pruned to eliminate duplicates Z: 29 19.528 1.772 0.388 0.838 1.000 0.643 CB 1.122 29 residues pruned to eliminate duplicates Z: 19 18.137 1.974 0.233 0.817 0.944 0.889 CB 1.413 18 residues pruned to eliminate duplicates Z: 30 22.860 1.779 1.013 0.734 0.897 0.586 CB 1.071 23 residues pruned to eliminate duplicates Z: 11 8.609 1.723 0.286 0.899 0.900 0.400 CB 0.976 11 residues pruned to eliminate duplicates Z: 18 28.436 1.999 0.727 0.918 1.000 0.824 CB 1.409 18 residues pruned to eliminate duplicates Z: 15 12.407 1.751 0.275 0.900 0.929 0.929 CB 1.142 15 residues pruned to eliminate duplicates Z: 31 20.818 1.733 0.566 0.875 0.967 0.767 CB 1.053 31 residues pruned to eliminate duplicates Z: 7 3.651 1.492 0.616 0.419 1.000 0.500 CB 0.673 Z: 12 7.705 1.736 0.517 0.730 0.818 0.455 CB 0.876 12 residues pruned to eliminate duplicates Z: 21 16.919 1.692 0.469 0.918 1.000 0.900 CB 1.073 21 residues pruned to eliminate duplicates Z: 30 33.985 1.924 0.804 0.900 1.000 0.655 CB 1.299 31 residues pruned to eliminate duplicates Z: 16 14.914 1.686 0.312 0.893 1.000 0.800 CB 1.250 16 residues pruned to eliminate duplicates Z: 29 18.818 1.776 0.470 0.857 0.929 0.643 CB 1.082 34 residues pruned to eliminate duplicates Z: 26 14.395 1.624 0.513 0.831 0.960 0.680 CB 0.917 26 residues pruned to eliminate duplicates Z: 13 11.237 1.751 0.019 0.893 1.000 0.917 CB 1.305 13 residues pruned to eliminate duplicates Z: 19 20.951 1.819 0.697 0.878 0.944 0.667 CB 1.229 19 residues pruned to eliminate duplicates Z: 17 26.797 2.018 0.512 0.910 1.000 0.875 CA 1.557 17 residues pruned to eliminate duplicates Z: 32 23.381 1.709 0.472 0.892 1.000 0.774 CB 1.199 31 residues pruned to eliminate duplicates Z: 7 12.858 1.803 0.504 0.894 1.000 1.000 CA 1.389 7 residues pruned to eliminate duplicates Z: 9 3.171 1.430 0.523 0.293 0.625 0.250 CB 1.038 9 residues pruned to eliminate duplicates Z: 10 7.095 1.762 0.031 0.560 1.000 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 50 37.388 2.039 0.483 0.792 0.939 0.755 CB 1.456 51 residues pruned to eliminate duplicates Z: 13 3.551 1.582 0.192 0.300 0.583 0.167 CB 1.165 Z: 17 26.216 2.052 0.480 0.903 1.000 0.938 CB 1.539 17 residues pruned to eliminate duplicates Z: 15 26.415 1.947 0.777 0.885 1.000 0.429 CA 1.473 15 residues pruned to eliminate duplicates Z: 11 9.661 1.656 0.170 0.794 1.000 0.800 CB 1.219 10 residues pruned to eliminate duplicates Z: 29 28.979 1.926 0.822 0.749 0.964 0.536 CB 1.296 28 residues pruned to eliminate duplicates Z: 9 8.181 1.728 0.183 0.655 0.875 0.500 CB 1.400 9 residues pruned to eliminate duplicates Z: 20 32.678 1.912 0.982 0.915 1.000 0.684 CB 1.399 20 residues pruned to eliminate duplicates Z: 16 24.787 2.047 0.947 0.862 0.867 0.667 CB 1.360 16 residues pruned to eliminate duplicates Z: 16 7.135 1.582 0.422 0.354 0.733 0.267 N 1.307 16 residues pruned to eliminate duplicates Z: 7 3.609 1.630 0.102 0.632 0.833 0.500 CB 0.870 Z: 14 19.293 1.746 0.911 0.851 0.846 0.846 CA 1.404 14 residues pruned to eliminate duplicates Z: 27 29.052 1.812 0.644 0.907 0.962 0.846 CB 1.415 27 residues pruned to eliminate duplicates Z: 24 24.669 2.086 0.250 0.907 1.000 0.870 CB 1.402 24 residues pruned to eliminate duplicates Z: 29 17.772 1.777 0.652 0.861 0.857 0.679 CB 0.981 29 residues pruned to eliminate duplicates Z: 10 11.775 1.842 0.414 0.668 1.000 0.667 CB 1.290 10 residues pruned to eliminate duplicates Z: 24 32.911 2.116 0.875 0.885 1.000 0.696 CB 1.248 24 residues pruned to eliminate duplicates Z: 8 13.228 1.976 0.243 0.897 1.000 1.000 CA 1.458 8 residues pruned to eliminate duplicates Z: 21 13.601 1.671 0.715 0.870 0.850 0.700 CB 0.912 21 residues pruned to eliminate duplicates Z: 29 26.151 1.901 1.053 0.885 0.857 0.464 CB 1.067 29 residues pruned to eliminate duplicates Z: 20 18.392 1.945 0.229 0.795 1.000 0.895 CB 1.363 20 residues pruned to eliminate duplicates Z: 23 29.232 2.100 0.615 0.918 1.000 0.636 CB 1.296 23 residues pruned to eliminate duplicates Z: 13 20.927 1.962 0.551 0.851 0.917 0.917 CA 1.602 13 residues pruned to eliminate duplicates Z: 35 13.489 1.631 0.645 0.584 0.853 0.382 CB 0.933 35 residues pruned to eliminate duplicates Z: 29 20.950 1.753 0.359 0.909 1.000 0.786 CB 1.179 29 residues pruned to eliminate duplicates Z: 23 26.160 1.852 0.742 0.924 0.955 0.727 CB 1.272 23 residues pruned to eliminate duplicates Z: 10 10.075 1.698 0.177 0.865 0.889 0.778 CA 1.385 10 residues pruned to eliminate duplicates Z: 6 2.364 1.443 0.685 0.817 0.800 0.400 CB 0.413 Z: 7 7.471 1.817 0.154 0.864 1.000 0.833 CB 1.067 Z: 19 23.509 1.886 0.479 0.947 1.000 1.000 CA 1.373 19 residues pruned to eliminate duplicates Z: 6 2.734 1.441 0.515 0.552 0.800 0.600 CB 0.666 Z: 7 2.528 1.315 0.416 0.429 0.667 0.667 CA 0.895 Z: 28 35.120 1.958 1.086 0.918 0.963 0.778 CB 1.212 28 residues pruned to eliminate duplicates Z: 19 22.255 1.860 0.663 0.927 1.000 0.778 CB 1.189 19 residues pruned to eliminate duplicates Z: 16 28.160 2.066 0.542 0.916 1.000 0.800 CA 1.613 16 residues pruned to eliminate duplicates Z: 13 12.968 1.590 0.465 0.830 1.000 0.750 CB 1.209 12 residues pruned to eliminate duplicates Z: 28 28.104 1.803 0.959 0.896 0.889 0.556 CB 1.235 28 residues pruned to eliminate duplicates Z: 12 21.448 1.896 0.619 0.843 1.000 0.727 CB 1.569 12 residues pruned to eliminate duplicates Z: 61 35.798 1.825 0.678 0.767 0.983 0.667 CB 1.211 62 residues pruned to eliminate duplicates Z: 7 4.480 1.606 -0.205 0.878 1.000 0.833 CB 1.039 7 residues pruned to eliminate duplicates Z: 6 5.237 1.511 0.803 0.649 1.000 0.800 CB 0.748 Z: 27 27.919 1.865 0.791 0.902 0.923 0.654 CB 1.267 29 residues pruned to eliminate duplicates Z: 7 2.336 1.446 0.694 0.374 0.833 0.667 CB 0.535 Z: 35 22.120 1.849 0.685 0.716 0.853 0.676 CB 1.174 44 residues pruned to eliminate duplicates Z: 17 6.524 1.618 0.290 0.695 0.750 0.625 CB 0.872 17 residues pruned to eliminate duplicates Z: 20 19.494 1.755 0.801 0.879 0.947 0.526 CB 1.083 20 residues pruned to eliminate duplicates Z: 47 17.464 1.726 0.438 0.620 0.891 0.739 CB 1.039 43 residues pruned to eliminate duplicates Z: 25 29.891 2.111 0.535 0.851 0.958 0.792 CB 1.454 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 25.852 2.021 0.584 0.833 0.938 0.688 CB 1.615 17 residues pruned to eliminate duplicates Z: 17 26.370 2.065 0.575 0.861 1.000 0.688 CB 1.489 17 residues pruned to eliminate duplicates Z: 16 29.817 2.174 0.628 0.870 1.000 0.933 CB 1.588 16 residues pruned to eliminate duplicates Z: 17 32.129 2.131 0.723 0.845 1.000 0.812 CB 1.626 17 residues pruned to eliminate duplicates Z: 17 28.897 2.066 0.741 0.928 1.000 0.875 CB 1.406 17 residues pruned to eliminate duplicates Z: 18 30.013 2.060 0.794 0.818 1.000 0.647 CB 1.494 19 residues pruned to eliminate duplicates Z: 15 30.647 2.170 0.732 0.929 1.000 0.786 CB 1.525 15 residues pruned to eliminate duplicates Z: 17 28.908 2.086 0.823 0.912 1.000 0.812 CB 1.346 17 residues pruned to eliminate duplicates Z: 16 34.689 2.175 0.931 0.882 1.000 0.933 CB 1.544 16 residues pruned to eliminate duplicates Z: 24 19.092 1.916 0.546 0.707 0.826 0.696 CB 1.349 24 residues pruned to eliminate duplicates Z: 17 31.042 2.135 0.800 0.832 1.000 0.688 CB 1.517 17 residues pruned to eliminate duplicates Z: 17 31.732 2.079 0.888 0.898 1.000 0.812 CB 1.445 17 residues pruned to eliminate duplicates Z: 16 29.046 2.150 0.604 0.940 1.000 0.933 CB 1.509 16 residues pruned to eliminate duplicates Z: 17 30.438 2.086 0.718 0.872 1.000 0.875 CB 1.547 17 residues pruned to eliminate duplicates Z: 17 33.965 2.156 0.779 0.888 1.000 0.938 CB 1.596 17 residues pruned to eliminate duplicates Z: 26 27.293 1.933 0.529 0.851 1.000 0.680 CB 1.366 26 residues pruned to eliminate duplicates Z: 26 26.962 1.919 0.492 0.888 1.000 0.960 CB 1.358 26 residues pruned to eliminate duplicates Z: 25 30.872 1.947 0.615 0.893 1.000 0.875 CB 1.439 26 residues pruned to eliminate duplicates Z: 27 24.259 1.871 0.417 0.887 0.962 0.846 CB 1.346 27 residues pruned to eliminate duplicates Z: 27 27.486 1.906 0.585 0.808 0.962 0.769 CB 1.419 27 residues pruned to eliminate duplicates Z: 26 29.395 1.944 0.620 0.845 0.960 0.720 CB 1.446 27 residues pruned to eliminate duplicates Z: 26 26.647 1.923 0.510 0.878 1.000 0.840 CB 1.333 26 residues pruned to eliminate duplicates Z: 21 23.678 1.981 0.637 0.803 0.900 0.700 CB 1.392 21 residues pruned to eliminate duplicates Z: 26 28.195 1.945 0.477 0.910 1.000 0.960 CB 1.392 26 residues pruned to eliminate duplicates Z: 19 30.195 2.042 0.564 0.928 1.000 0.889 CB 1.561 19 residues pruned to eliminate duplicates Z: 71 46.178 1.967 0.727 0.783 0.943 0.700 CB 1.344 82 residues pruned to eliminate duplicates Z: 25 24.634 1.932 0.408 0.899 0.958 0.792 CB 1.379 25 residues pruned to eliminate duplicates Z: 26 30.768 1.938 0.590 0.899 1.000 0.920 CB 1.428 26 residues pruned to eliminate duplicates Z: 20 30.633 2.003 0.695 0.872 1.000 0.789 CB 1.509 20 residues pruned to eliminate duplicates Z: 25 30.808 1.960 0.714 0.869 0.958 0.625 CB 1.427 25 residues pruned to eliminate duplicates Z: 26 32.343 1.937 0.729 0.896 1.000 0.760 CB 1.383 26 residues pruned to eliminate duplicates Z: 26 28.918 1.947 0.525 0.894 1.000 0.920 CB 1.398 26 residues pruned to eliminate duplicates Z: 26 32.712 1.963 0.726 0.907 1.000 0.920 CB 1.373 26 residues pruned to eliminate duplicates Z: 22 25.795 1.836 0.727 0.866 0.952 0.619 CB 1.365 22 residues pruned to eliminate duplicates Z: 26 30.625 1.959 0.665 0.904 1.000 0.800 CB 1.337 26 residues pruned to eliminate duplicates Z: 26 33.023 1.958 0.706 0.890 1.000 0.760 CB 1.422 26 residues pruned to eliminate duplicates Z: 26 28.920 1.937 0.635 0.912 0.960 0.800 CB 1.347 26 residues pruned to eliminate duplicates Z: 26 32.007 1.939 0.664 0.900 1.000 0.800 CB 1.417 26 residues pruned to eliminate duplicates Z: 12 8.034 1.819 0.471 0.494 0.818 0.636 CB 1.114 7 residues pruned to eliminate duplicates Z: 7 8.460 1.865 0.122 0.849 1.000 0.833 CB 1.224 7 residues pruned to eliminate duplicates Z: 16 15.203 1.928 0.282 0.596 1.000 0.800 CB 1.449 19 residues pruned to eliminate duplicates Z: 7 10.397 1.867 0.306 0.850 1.000 0.833 CB 1.289 7 residues pruned to eliminate duplicates Z: 18 13.871 1.891 0.317 0.545 0.941 0.706 CB 1.374 18 residues pruned to eliminate duplicates Z: 26 23.076 1.890 0.517 0.685 0.960 0.720 CA 1.415 26 residues pruned to eliminate duplicates Z: 28 18.274 1.810 0.443 0.629 0.926 0.667 CB 1.288 28 residues pruned to eliminate duplicates Z: 22 16.976 1.849 0.456 0.585 0.952 0.667 CB 1.331 22 residues pruned to eliminate duplicates Z: 15 14.007 1.938 0.221 0.627 1.000 0.643 CB 1.403 15 residues pruned to eliminate duplicates Z: 15 17.006 1.988 0.446 0.568 1.000 0.857 CB 1.481 15 residues pruned to eliminate duplicates Z: 21 18.299 1.837 0.579 0.618 0.900 0.700 CB 1.402 21 residues pruned to eliminate duplicates Z: 26 21.762 1.804 0.594 0.705 0.960 0.520 CB 1.309 26 residues pruned to eliminate duplicates Z: 26 26.325 1.881 0.833 0.713 0.960 0.640 CB 1.312 26 residues pruned to eliminate duplicates Z: 29 27.859 1.939 0.646 0.711 1.000 0.750 CB 1.362 29 residues pruned to eliminate duplicates Z: 18 24.832 1.940 0.803 0.743 0.941 0.529 CB 1.472 18 residues pruned to eliminate duplicates Z: 24 24.108 1.935 0.832 0.686 0.957 0.609 CB 1.250 24 residues pruned to eliminate duplicates Z: 32 27.741 1.860 0.618 0.746 1.000 0.774 CB 1.329 32 residues pruned to eliminate duplicates Z: 35 19.877 1.855 0.561 0.613 0.882 0.471 CB 1.199 35 residues pruned to eliminate duplicates Z: 24 24.588 1.944 0.678 0.693 1.000 0.739 CB 1.317 24 residues pruned to eliminate duplicates Z: 15 12.816 1.792 0.448 0.458 0.929 0.571 CA 1.485 15 residues pruned to eliminate duplicates Z: 7 9.727 1.810 0.513 0.740 0.833 0.833 CB 1.402 7 residues pruned to eliminate duplicates Z: 26 14.776 1.821 0.336 0.647 0.880 0.760 CB 1.203 26 residues pruned to eliminate duplicates Z: 23 13.473 1.791 0.563 0.573 0.909 0.545 CB 1.052 23 residues pruned to eliminate duplicates Z: 39 24.678 1.868 0.648 0.768 0.947 0.632 CB 1.083 39 residues pruned to eliminate duplicates Z: 66 38.187 1.914 0.580 0.723 0.938 0.738 CB 1.365 66 residues pruned to eliminate duplicates Z: 23 23.011 1.896 0.710 0.830 0.955 0.818 CB 1.191 23 residues pruned to eliminate duplicates Z: 53 35.031 1.880 0.706 0.768 0.942 0.615 CB 1.268 53 residues pruned to eliminate duplicates Z: 101 43.797 1.873 0.605 0.715 0.930 0.680 CB 1.290 100 residues pruned to eliminate duplicates Z: 32 28.761 1.886 0.841 0.883 0.903 0.484 CB 1.191 32 residues pruned to eliminate duplicates Z: 41 32.789 1.910 0.684 0.817 0.950 0.725 CB 1.288 41 residues pruned to eliminate duplicates Z: 75 39.361 1.886 0.582 0.721 0.905 0.649 CB 1.387 75 residues pruned to eliminate duplicates Z: 38 29.058 1.917 0.798 0.790 0.919 0.622 CB 1.170 38 residues pruned to eliminate duplicates Z: 23 21.193 1.872 0.853 0.787 0.909 0.682 CB 1.113 23 residues pruned to eliminate duplicates Z: 21 25.381 1.914 0.877 0.881 1.000 0.750 CB 1.144 21 residues pruned to eliminate duplicates Z: 23 18.731 1.858 0.848 0.800 0.818 0.591 CB 1.094 23 residues pruned to eliminate duplicates Z: 33 17.019 1.789 0.748 0.584 0.844 0.438 CB 1.052 33 residues pruned to eliminate duplicates Z: 86 34.107 1.858 0.560 0.678 0.882 0.647 CB 1.229 86 residues pruned to eliminate duplicates Z: 63 38.597 1.899 0.692 0.699 0.935 0.677 CB 1.360 63 residues pruned to eliminate duplicates Z: 46 28.143 1.857 0.660 0.697 0.933 0.622 CB 1.218 46 residues pruned to eliminate duplicates Z: 75 43.703 1.920 0.742 0.763 0.905 0.649 CB 1.328 75 residues pruned to eliminate duplicates Z: 65 36.310 1.884 0.562 0.701 0.953 0.625 CB 1.347 65 residues pruned to eliminate duplicates Z: 38 30.702 1.911 0.601 0.800 0.973 0.757 CB 1.304 38 residues pruned to eliminate duplicates Z: 47 34.745 1.937 0.753 0.790 0.913 0.696 CB 1.281 47 residues pruned to eliminate duplicates Z: 38 32.215 1.908 0.655 0.735 0.919 0.676 CB 1.477 38 residues pruned to eliminate duplicates Z: 61 40.702 1.869 0.762 0.767 0.917 0.717 CB 1.374 61 residues pruned to eliminate duplicates Z: 53 34.267 1.857 0.765 0.733 0.865 0.442 CB 1.359 53 residues pruned to eliminate duplicates Z: 52 38.612 1.920 0.783 0.770 0.902 0.686 CB 1.379 52 residues pruned to eliminate duplicates Z: 53 44.592 1.946 0.786 0.795 1.000 0.673 CB 1.373 53 residues pruned to eliminate duplicates Z: 67 41.950 1.899 0.777 0.705 0.924 0.667 CB 1.374 67 residues pruned to eliminate duplicates Z: 31 28.164 1.867 0.676 0.712 0.933 0.567 CB 1.452 31 residues pruned to eliminate duplicates Z: 26 24.341 1.942 0.717 0.736 0.880 0.680 CB 1.343 26 residues pruned to eliminate duplicates Z: 38 32.035 1.900 0.857 0.845 0.973 0.676 CB 1.141 38 residues pruned to eliminate duplicates Z: 60 40.579 1.907 0.722 0.783 0.932 0.644 CB 1.345 60 residues pruned to eliminate duplicates Z: 104 41.937 1.844 0.666 0.711 0.903 0.544 CB 1.230 104 residues pruned to eliminate duplicates Z: 36 32.528 1.892 0.848 0.777 0.886 0.571 CB 1.390 36 residues pruned to eliminate duplicates Z: 31 37.912 1.960 0.992 0.819 0.967 0.700 CB 1.390 31 residues pruned to eliminate duplicates Z: 88 38.994 1.902 0.612 0.680 0.908 0.563 CB 1.273 85 residues pruned to eliminate duplicates Z: 20 29.623 1.941 1.095 0.903 1.000 0.789 CB 1.191 20 residues pruned to eliminate duplicates Z: 55 40.171 1.938 0.762 0.800 0.944 0.574 CB 1.304 55 residues pruned to eliminate duplicates Z: 37 27.724 1.811 0.651 0.682 0.972 0.556 CB 1.344 37 residues pruned to eliminate duplicates Z: 23 24.972 1.976 0.659 0.728 0.864 0.455 CB 1.532 23 residues pruned to eliminate duplicates Z: 65 35.260 1.880 0.685 0.727 0.891 0.578 CB 1.274 65 residues pruned to eliminate duplicates Z: 73 36.850 1.912 0.704 0.678 0.861 0.486 CB 1.314 73 residues pruned to eliminate duplicates Z: 55 45.185 1.974 0.822 0.829 0.926 0.630 CB 1.389 55 residues pruned to eliminate duplicates Z: 29 21.857 1.852 0.648 0.662 0.821 0.500 CB 1.418 29 residues pruned to eliminate duplicates Z: 27 27.527 1.937 0.728 0.728 0.923 0.462 CB 1.422 27 residues pruned to eliminate duplicates Z: 37 30.233 1.891 0.644 0.765 0.944 0.528 CB 1.356 37 residues pruned to eliminate duplicates Z: 33 22.666 1.830 0.655 0.666 0.844 0.594 CB 1.345 33 residues pruned to eliminate duplicates Z: 157 58.928 1.952 0.628 0.751 0.942 0.667 CB 1.259 159 residues pruned to eliminate duplicates Z: 14 27.714 1.982 0.850 0.896 1.000 0.769 CA 1.502 14 residues pruned to eliminate duplicates Z: 29 29.104 1.931 0.892 0.682 0.929 0.536 CB 1.372 29 residues pruned to eliminate duplicates Z: 66 43.682 1.922 0.845 0.798 0.923 0.554 CB 1.276 66 residues pruned to eliminate duplicates Z: 61 38.588 1.918 0.846 0.773 0.867 0.467 CB 1.275 61 residues pruned to eliminate duplicates Z: 39 28.205 1.859 0.725 0.757 0.895 0.553 CB 1.269 39 residues pruned to eliminate duplicates Z: 11 7.207 1.880 0.140 0.384 0.800 0.500 CB 1.504 11 residues pruned to eliminate duplicates Z: 71 33.365 1.817 0.674 0.679 0.886 0.600 CB 1.255 71 residues pruned to eliminate duplicates Z: 68 40.664 1.899 0.734 0.781 0.940 0.627 CB 1.253 68 residues pruned to eliminate duplicates Z: 47 27.880 1.830 0.652 0.700 0.935 0.543 CB 1.212 47 residues pruned to eliminate duplicates Z: 65 37.234 1.858 0.786 0.766 0.906 0.547 CB 1.222 65 residues pruned to eliminate duplicates Z: 47 40.934 1.935 0.876 0.778 0.978 0.522 CB 1.330 47 residues pruned to eliminate duplicates Z: 62 23.511 1.824 0.668 0.626 0.803 0.426 CB 1.093 62 residues pruned to eliminate duplicates Z: 60 28.282 1.894 0.459 0.718 0.949 0.729 CB 1.153 60 residues pruned to eliminate duplicates Z: 39 32.349 1.900 0.774 0.780 0.895 0.500 CB 1.359 39 residues pruned to eliminate duplicates Z: 91 41.997 1.878 0.642 0.750 0.978 0.622 CB 1.175 91 residues pruned to eliminate duplicates Z: 107 47.283 1.894 0.657 0.722 0.915 0.557 CB 1.309 107 residues pruned to eliminate duplicates Z: 84 41.823 1.928 0.503 0.724 0.952 0.699 CB 1.360 84 residues pruned to eliminate duplicates Z: 49 22.376 1.886 0.403 0.630 0.896 0.583 CB 1.205 49 residues pruned to eliminate duplicates Z: 52 30.597 1.939 0.513 0.749 0.922 0.686 CB 1.269 52 residues pruned to eliminate duplicates Z: 118 52.823 1.931 0.609 0.783 0.966 0.726 CB 1.268 118 residues pruned to eliminate duplicates Z: 24 18.302 1.816 0.427 0.659 1.000 0.696 CB 1.271 24 residues pruned to eliminate duplicates Z: 26 15.634 1.723 0.401 0.636 1.000 0.640 CB 1.140 26 residues pruned to eliminate duplicates Z: 33 16.267 1.777 0.440 0.679 0.875 0.656 CB 1.089 33 residues pruned to eliminate duplicates Z: 88 41.906 1.898 0.749 0.732 0.885 0.621 CB 1.241 88 residues pruned to eliminate duplicates Z: 57 33.609 1.955 0.507 0.754 0.946 0.786 CB 1.284 57 residues pruned to eliminate duplicates Z: 88 45.142 1.892 0.684 0.794 0.931 0.621 CB 1.261 88 residues pruned to eliminate duplicates Z: 131 55.935 1.959 0.638 0.752 0.946 0.669 CB 1.290 130 residues pruned to eliminate duplicates Z: 29 21.649 1.729 0.523 0.855 1.000 0.750 CB 1.147 29 residues pruned to eliminate duplicates Z: 90 44.994 1.905 0.709 0.776 0.944 0.640 CB 1.216 90 residues pruned to eliminate duplicates Z: 60 31.237 1.840 0.625 0.738 0.932 0.610 CB 1.178 60 residues pruned to eliminate duplicates Z: 26 16.395 1.838 0.393 0.698 0.920 0.520 CB 1.162 26 residues pruned to eliminate duplicates Z: 83 43.005 1.949 0.668 0.721 0.902 0.683 CB 1.326 81 residues pruned to eliminate duplicates Z: 30 19.669 1.808 0.417 0.815 0.966 0.759 CB 1.123 30 residues pruned to eliminate duplicates Z: 86 41.055 1.922 0.602 0.710 0.929 0.553 CB 1.286 86 residues pruned to eliminate duplicates Z: 116 50.668 1.901 0.704 0.734 0.922 0.600 CB 1.282 116 residues pruned to eliminate duplicates Z: 110 52.234 1.971 0.624 0.766 0.945 0.725 CB 1.307 110 residues pruned to eliminate duplicates Z: 59 33.657 1.929 0.616 0.756 0.931 0.586 CB 1.213 59 residues pruned to eliminate duplicates Z: 54 30.373 1.927 0.553 0.730 0.925 0.717 CB 1.226 54 residues pruned to eliminate duplicates Z: 33 25.257 2.060 0.466 0.711 0.906 0.750 CB 1.347 33 residues pruned to eliminate duplicates Z: 53 28.905 1.896 0.623 0.677 0.904 0.654 CB 1.225 53 residues pruned to eliminate duplicates Z: 59 32.582 1.933 0.570 0.758 0.914 0.741 CB 1.226 59 residues pruned to eliminate duplicates Z: 84 41.022 1.933 0.561 0.717 0.952 0.663 CB 1.289 84 residues pruned to eliminate duplicates Z: 50 34.431 1.964 0.560 0.781 0.980 0.694 CB 1.279 50 residues pruned to eliminate duplicates Z: 74 35.868 1.945 0.423 0.736 0.918 0.740 CB 1.337 74 residues pruned to eliminate duplicates Z: 89 40.437 1.879 0.658 0.726 0.943 0.625 CB 1.196 89 residues pruned to eliminate duplicates Z: 82 40.636 1.966 0.570 0.760 0.938 0.617 CB 1.237 82 residues pruned to eliminate duplicates Z: 54 30.053 1.925 0.556 0.711 0.906 0.642 CB 1.257 54 residues pruned to eliminate duplicates Z: 89 43.426 1.921 0.651 0.764 0.943 0.670 CB 1.225 89 residues pruned to eliminate duplicates Z: 118 56.434 1.936 0.746 0.802 0.957 0.658 CB 1.238 118 residues pruned to eliminate duplicates Z: 57 29.665 1.898 0.558 0.717 0.893 0.589 CB 1.233 57 residues pruned to eliminate duplicates Z: 70 34.189 1.927 0.567 0.689 0.899 0.551 CB 1.276 70 residues pruned to eliminate duplicates Z: 51 30.792 1.945 0.549 0.767 0.920 0.660 CB 1.240 51 residues pruned to eliminate duplicates Z: 52 32.193 1.956 0.580 0.735 0.941 0.627 CB 1.255 52 residues pruned to eliminate duplicates Z: 53 30.987 1.952 0.573 0.738 0.885 0.673 CB 1.278 53 residues pruned to eliminate duplicates Z: 57 33.018 1.920 0.655 0.739 0.911 0.643 CB 1.230 57 residues pruned to eliminate duplicates Z: 84 46.732 1.952 0.772 0.773 0.928 0.578 CB 1.256 84 residues pruned to eliminate duplicates Z: 33 23.949 2.016 0.690 0.695 0.875 0.500 CB 1.189 33 residues pruned to eliminate duplicates Z: 117 52.353 1.914 0.725 0.747 0.931 0.612 CB 1.268 117 residues pruned to eliminate duplicates Z: 52 33.758 1.959 0.626 0.746 0.941 0.627 CB 1.265 52 residues pruned to eliminate duplicates Z: 52 33.806 1.964 0.615 0.738 0.922 0.745 CB 1.309 52 residues pruned to eliminate duplicates Z: 55 30.991 1.936 0.554 0.710 0.926 0.648 CB 1.251 55 residues pruned to eliminate duplicates Z: 84 46.451 1.964 0.730 0.746 0.916 0.699 CB 1.316 85 residues pruned to eliminate duplicates Z: 25 34.590 2.035 0.746 0.908 1.000 0.625 CB 1.411 25 residues pruned to eliminate duplicates Z: 68 36.631 1.926 0.654 0.728 0.925 0.642 CB 1.236 68 residues pruned to eliminate duplicates Z: 54 32.339 1.927 0.620 0.729 0.925 0.604 CB 1.252 54 residues pruned to eliminate duplicates Z: 7 4.075 1.838 0.543 0.299 0.833 0.000 CB 0.881 7 residues pruned to eliminate duplicates Z: 26 33.899 2.087 0.817 0.846 0.960 0.760 CB 1.384 26 residues pruned to eliminate duplicates Z: 27 37.929 2.045 1.002 0.839 0.962 0.615 CB 1.411 28 residues pruned to eliminate duplicates Z: 26 29.333 2.033 0.588 0.897 1.000 0.800 CB 1.301 26 residues pruned to eliminate duplicates Z: 24 32.237 2.113 0.675 0.902 0.957 0.826 CB 1.417 24 residues pruned to eliminate duplicates Z: 25 40.925 2.114 0.984 0.882 1.000 0.792 CB 1.442 25 residues pruned to eliminate duplicates Z: 25 41.647 2.114 0.953 0.900 1.000 0.833 CB 1.471 25 residues pruned to eliminate duplicates Z: 26 35.165 2.072 0.818 0.922 1.000 0.880 CB 1.313 26 residues pruned to eliminate duplicates Z: 24 38.505 2.127 0.793 0.912 1.000 0.957 CB 1.491 24 residues pruned to eliminate duplicates Z: 25 34.880 2.086 0.753 0.905 1.000 0.917 CB 1.385 25 residues pruned to eliminate duplicates Z: 27 35.061 2.075 0.797 0.842 0.962 0.808 CB 1.429 27 residues pruned to eliminate duplicates Z: 26 37.213 2.106 0.819 0.876 1.000 0.840 CB 1.412 26 residues pruned to eliminate duplicates Z: 24 38.896 2.129 0.776 0.906 1.000 0.957 CB 1.526 24 residues pruned to eliminate duplicates Z: 25 39.806 2.095 0.874 0.912 1.000 0.917 CB 1.466 25 residues pruned to eliminate duplicates Z: 24 40.117 2.133 0.839 0.925 1.000 0.870 CB 1.496 24 residues pruned to eliminate duplicates Z: 26 41.677 2.102 0.962 0.888 1.000 0.800 CB 1.456 26 residues pruned to eliminate duplicates Z: 25 37.363 2.123 0.767 0.884 1.000 0.917 CB 1.469 25 residues pruned to eliminate duplicates Z: 25 39.824 2.093 0.880 0.912 1.000 1.000 CB 1.464 25 residues pruned to eliminate duplicates Z: 25 37.254 2.099 0.901 0.875 0.958 0.875 CB 1.446 25 residues pruned to eliminate duplicates Z: 25 40.440 2.118 0.839 0.907 1.000 0.917 CB 1.507 25 residues pruned to eliminate duplicates Z: 26 33.402 2.060 0.732 0.900 1.000 0.880 CB 1.337 26 residues pruned to eliminate duplicates Z: 24 37.663 2.128 0.896 0.903 0.957 0.913 CB 1.451 24 residues pruned to eliminate duplicates Z: 24 36.656 2.143 0.669 0.923 1.000 0.957 CB 1.502 24 residues pruned to eliminate duplicates Z: 25 39.046 2.106 0.823 0.893 1.000 0.750 CB 1.490 25 residues pruned to eliminate duplicates Z: 57 31.296 1.833 0.724 0.665 0.893 0.589 CB 1.272 68 residues pruned to eliminate duplicates Z: 14 11.904 1.761 0.558 0.602 0.846 0.769 CA 1.290 Z: 18 15.224 1.665 0.467 0.726 1.000 1.000 CB 1.234 14 residues pruned to eliminate duplicates Z: 15 12.338 1.495 0.692 0.709 0.929 0.714 CB 1.161 19 residues pruned to eliminate duplicates Z: 13 15.006 1.600 0.605 0.798 1.000 0.917 CB 1.299 13 residues pruned to eliminate duplicates Z: 17 11.450 1.733 0.411 0.585 0.875 0.625 CB 1.233 17 residues pruned to eliminate duplicates Z: 15 14.726 1.854 0.751 0.633 0.857 0.857 CB 1.249 15 residues pruned to eliminate duplicates Z: 41 31.039 1.843 0.801 0.709 0.925 0.725 CB 1.323 41 residues pruned to eliminate duplicates Z: 15 12.762 1.761 0.693 0.588 0.857 0.786 CB 1.227 15 residues pruned to eliminate duplicates Z: 42 29.330 1.864 0.692 0.664 0.951 0.610 CB 1.312 56 residues pruned to eliminate duplicates Z: 13 13.428 1.763 0.677 0.644 0.917 0.667 CB 1.250 Z: 18 22.607 2.038 0.605 0.850 0.941 0.765 CB 1.319 18 residues pruned to eliminate duplicates Z: 21 22.919 1.945 0.640 0.768 1.000 0.700 CB 1.267 21 residues pruned to eliminate duplicates Z: 21 21.751 1.956 0.626 0.773 0.900 0.750 CB 1.335 21 residues pruned to eliminate duplicates Z: 18 27.003 2.034 0.815 0.815 1.000 0.529 CB 1.349 18 residues pruned to eliminate duplicates Z: 21 24.490 1.948 0.666 0.811 1.000 0.700 CB 1.287 21 residues pruned to eliminate duplicates Z: 22 20.362 1.886 0.702 0.768 0.952 0.619 CB 1.146 22 residues pruned to eliminate duplicates Z: 20 26.250 2.003 0.731 0.814 1.000 0.789 CB 1.322 18 residues pruned to eliminate duplicates Z: 17 23.506 2.024 0.873 0.891 0.875 0.750 CB 1.273 17 residues pruned to eliminate duplicates Z: 22 20.172 1.909 0.638 0.738 0.952 0.714 CB 1.194 22 residues pruned to eliminate duplicates Z: 11 20.672 2.152 0.797 0.779 0.900 0.600 CB 1.470 11 residues pruned to eliminate duplicates Z: 12 17.015 1.999 0.973 0.787 0.909 0.727 CB 1.112 12 residues pruned to eliminate duplicates Z: 16 17.279 1.958 0.411 0.712 1.000 0.467 CB 1.333 16 residues pruned to eliminate duplicates 6 1.512 1.400 0.480 0.284 0.800 0.200 CB 0.520 ? Z: 45 29.626 1.932 0.577 0.690 0.932 0.750 CB 1.322 50 residues pruned to eliminate duplicates Z: 9 13.672 2.167 0.346 0.791 1.000 1.000 CB 1.284 9 residues pruned to eliminate duplicates Z: 20 16.585 2.087 0.499 0.678 0.895 0.684 CB 1.154 20 residues pruned to eliminate duplicates Z: 17 10.146 1.908 0.548 0.526 0.812 0.688 CB 1.030 17 residues pruned to eliminate duplicates Z: 43 25.278 1.960 0.549 0.703 0.905 0.738 CB 1.181 43 residues pruned to eliminate duplicates Z: 43 26.587 1.952 0.651 0.682 0.905 0.690 CB 1.191 43 residues pruned to eliminate duplicates Z: 30 18.451 2.012 0.276 0.691 0.897 0.724 CB 1.250 30 residues pruned to eliminate duplicates Z: 42 28.353 1.946 0.713 0.661 0.927 0.683 CB 1.235 42 residues pruned to eliminate duplicates Z: 23 14.829 2.004 0.373 0.620 0.909 0.818 CB 1.129 23 residues pruned to eliminate duplicates Z: 42 26.073 1.958 0.504 0.700 0.902 0.707 CB 1.277 42 residues pruned to eliminate duplicates Z: 31 17.552 1.955 0.348 0.634 0.867 0.733 CB 1.237 31 residues pruned to eliminate duplicates Z: 45 27.208 1.940 0.498 0.674 0.909 0.705 CB 1.323 45 residues pruned to eliminate duplicates Z: 23 13.385 1.929 0.282 0.650 0.955 0.773 CB 1.051 23 residues pruned to eliminate duplicates Z: 22 16.719 1.982 0.481 0.682 0.905 0.667 CB 1.163 22 residues pruned to eliminate duplicates Z: 39 26.574 1.975 0.523 0.661 0.895 0.789 CB 1.379 39 residues pruned to eliminate duplicates Z: 43 27.203 1.944 0.557 0.686 0.905 0.714 CB 1.292 43 residues pruned to eliminate duplicates Z: 22 19.147 2.022 0.619 0.676 1.000 0.810 CB 1.086 22 residues pruned to eliminate duplicates Z: 39 27.160 1.971 0.605 0.654 0.921 0.658 CB 1.310 39 residues pruned to eliminate duplicates Z: 22 18.759 2.000 0.555 0.679 1.000 0.762 CB 1.116 22 residues pruned to eliminate duplicates Z: 36 24.627 1.946 0.566 0.667 0.914 0.714 CB 1.280 36 residues pruned to eliminate duplicates Z: 31 24.686 2.016 0.533 0.640 0.933 0.800 CB 1.371 31 residues pruned to eliminate duplicates Z: 31 21.995 2.027 0.436 0.660 0.933 0.733 CB 1.274 31 residues pruned to eliminate duplicates Z: 45 30.905 1.958 0.530 0.691 0.977 0.795 CB 1.336 45 residues pruned to eliminate duplicates Z: 10 12.971 1.816 0.597 0.667 0.889 0.667 CA 1.438 10 residues pruned to eliminate duplicates Z: 31 21.432 1.998 0.471 0.635 0.967 0.733 CB 1.213 31 residues pruned to eliminate duplicates Z: 43 30.312 1.959 0.717 0.695 0.929 0.762 CB 1.254 43 residues pruned to eliminate duplicates Z: 44 28.674 1.939 0.700 0.666 0.930 0.651 CB 1.223 44 residues pruned to eliminate duplicates Z: 21 24.426 1.880 0.703 0.806 0.900 0.700 CA 1.452 21 residues pruned to eliminate duplicates Z: 42 29.034 1.987 0.665 0.679 0.927 0.537 CB 1.255 42 residues pruned to eliminate duplicates Z: 42 22.472 1.849 0.564 0.595 0.951 0.439 CB 1.166 42 residues pruned to eliminate duplicates Z: 20 25.958 1.836 0.954 0.920 0.947 0.579 CB 1.234 20 residues pruned to eliminate duplicates Z: 25 21.678 1.823 0.711 0.734 0.917 0.458 CB 1.254 25 residues pruned to eliminate duplicates Z: 24 22.078 1.835 0.913 0.670 0.913 0.217 CB 1.228 24 residues pruned to eliminate duplicates Z: 22 20.525 1.834 0.815 0.777 0.857 0.524 CB 1.229 22 residues pruned to eliminate duplicates Z: 46 30.463 1.960 0.694 0.670 0.933 0.644 CB 1.253 46 residues pruned to eliminate duplicates Z: 44 28.931 1.930 0.701 0.669 0.977 0.628 CB 1.176 44 residues pruned to eliminate duplicates Z: 14 15.209 1.843 0.797 0.484 0.846 0.615 N 1.529 14 residues pruned to eliminate duplicates Z: 32 14.110 1.807 0.423 0.508 0.774 0.452 CB 1.263 32 residues pruned to eliminate duplicates Z: 11 13.257 1.815 0.615 0.600 0.900 0.500 CB 1.444 11 residues pruned to eliminate duplicates Z: 19 20.958 1.891 1.002 0.847 0.889 0.389 CB 1.090 19 residues pruned to eliminate duplicates Z: 22 15.554 1.693 0.631 0.706 0.810 0.571 CB 1.259 22 residues pruned to eliminate duplicates Z: 50 34.089 1.923 0.686 0.745 0.959 0.592 CB 1.257 50 residues pruned to eliminate duplicates Z: 50 27.316 1.870 0.744 0.734 0.939 0.571 CB 1.033 50 residues pruned to eliminate duplicates Z: 21 15.873 1.650 0.500 0.798 0.900 0.200 CB 1.228 21 residues pruned to eliminate duplicates Z: 54 29.070 1.876 0.687 0.712 0.925 0.585 CB 1.126 54 residues pruned to eliminate duplicates Z: 53 30.919 1.895 0.672 0.711 0.962 0.615 CB 1.162 53 residues pruned to eliminate duplicates Z: 9 6.025 1.642 0.180 0.564 0.750 0.500 CA 1.377 9 residues pruned to eliminate duplicates Z: 29 24.859 1.689 0.854 0.791 0.893 0.607 CB 1.302 29 residues pruned to eliminate duplicates Z: 9 8.346 1.603 0.338 0.704 0.875 0.750 CA 1.306 9 residues pruned to eliminate duplicates Z: 24 17.879 1.851 0.273 0.749 0.870 0.696 CB 1.456 24 residues pruned to eliminate duplicates Z: 24 17.348 1.811 0.408 0.713 0.913 0.696 CB 1.281 24 residues pruned to eliminate duplicates Z: 23 16.002 1.818 0.176 0.684 0.909 0.773 CB 1.483 23 residues pruned to eliminate duplicates Z: 39 23.284 1.854 0.426 0.691 0.895 0.711 CB 1.341 39 residues pruned to eliminate duplicates Z: 36 22.213 1.862 0.385 0.711 0.914 0.714 CB 1.315 36 residues pruned to eliminate duplicates Z: 41 19.114 1.781 0.422 0.620 0.875 0.650 CB 1.218 41 residues pruned to eliminate duplicates Z: 22 13.813 1.784 0.159 0.702 0.905 0.524 CB 1.340 22 residues pruned to eliminate duplicates Z: 36 26.485 1.864 0.584 0.758 0.943 0.657 CB 1.279 36 residues pruned to eliminate duplicates Z: 30 20.123 1.863 0.368 0.692 0.931 0.690 CB 1.322 30 residues pruned to eliminate duplicates Z: 23 15.743 1.826 0.540 0.666 0.864 0.591 CB 1.185 23 residues pruned to eliminate duplicates Z: 46 23.974 1.767 0.428 0.713 0.933 0.756 CB 1.251 46 residues pruned to eliminate duplicates Z: 39 22.195 1.859 0.427 0.742 0.895 0.737 CB 1.222 39 residues pruned to eliminate duplicates Z: 36 22.130 1.856 0.510 0.731 0.886 0.600 CB 1.225 36 residues pruned to eliminate duplicates Z: 26 25.249 1.902 0.608 0.821 1.000 0.840 CB 1.250 26 residues pruned to eliminate duplicates Z: 41 24.127 1.793 0.630 0.675 0.900 0.500 CB 1.233 41 residues pruned to eliminate duplicates Z: 36 24.153 1.840 0.508 0.691 0.943 0.714 CB 1.310 36 residues pruned to eliminate duplicates Z: 33 19.327 1.836 0.506 0.662 0.844 0.531 CB 1.260 33 residues pruned to eliminate duplicates Z: 54 29.358 1.830 0.709 0.666 0.943 0.604 CB 1.173 54 residues pruned to eliminate duplicates Z: 48 21.682 1.767 0.500 0.600 0.915 0.660 CB 1.185 48 residues pruned to eliminate duplicates Z: 38 23.620 1.850 0.567 0.713 0.892 0.703 CB 1.238 37 residues pruned to eliminate duplicates Z: 19 22.359 1.906 0.639 0.864 0.944 0.722 CB 1.309 19 residues pruned to eliminate duplicates Z: 37 21.212 1.859 0.479 0.691 0.889 0.750 CB 1.214 37 residues pruned to eliminate duplicates Z: 43 23.171 1.776 0.646 0.706 0.881 0.619 CB 1.152 43 residues pruned to eliminate duplicates Z: 32 16.386 1.794 0.541 0.631 0.839 0.516 CB 1.122 32 residues pruned to eliminate duplicates Z: 37 27.140 1.814 0.698 0.749 0.944 0.556 CB 1.245 37 residues pruned to eliminate duplicates Z: 13 6.061 1.660 0.319 0.341 0.833 0.500 CB 1.139 13 residues pruned to eliminate duplicates Z: 19 12.921 1.736 0.526 0.620 0.944 0.556 CB 1.087 19 residues pruned to eliminate duplicates Z: 34 23.467 1.859 0.557 0.750 0.909 0.727 CB 1.241 34 residues pruned to eliminate duplicates Z: 37 22.421 1.875 0.418 0.738 0.889 0.722 CB 1.278 37 residues pruned to eliminate duplicates Z: 33 24.695 1.869 0.539 0.780 0.938 0.719 CB 1.264 33 residues pruned to eliminate duplicates Z: 39 26.102 1.810 0.608 0.704 0.947 0.658 CB 1.275 39 residues pruned to eliminate duplicates Z: 36 22.134 1.825 0.666 0.763 0.857 0.514 CB 1.137 36 residues pruned to eliminate duplicates Z: 38 22.165 1.859 0.413 0.709 0.892 0.649 CB 1.286 38 residues pruned to eliminate duplicates Z: 22 11.787 1.672 0.397 0.591 0.905 0.619 CB 1.116 22 residues pruned to eliminate duplicates Z: 78 23.958 1.766 0.509 0.566 0.844 0.494 CB 1.139 78 residues pruned to eliminate duplicates Z: 44 25.335 1.821 0.519 0.638 0.930 0.651 CB 1.320 45 residues pruned to eliminate duplicates Z: 8 4.530 1.663 0.528 0.517 0.714 0.286 CB 0.927 8 residues pruned to eliminate duplicates Z: 13 3.716 1.582 0.251 0.380 0.667 0.333 CB 0.924 13 residues pruned to eliminate duplicates 7 1.394 1.577 -0.149 0.309 0.667 0.333 N 0.786 ? Z: 8 4.359 1.662 0.387 0.500 0.714 0.429 CB 1.000 8 residues pruned to eliminate duplicates Z: 24 9.841 1.625 0.306 0.535 0.826 0.435 CB 1.131 24 residues pruned to eliminate duplicates Z: 25 15.270 1.716 0.599 0.682 0.958 0.792 CB 1.003 25 residues pruned to eliminate duplicates Z: 52 31.972 1.918 0.431 0.760 0.961 0.725 CB 1.347 52 residues pruned to eliminate duplicates Z: 20 10.284 1.688 0.558 0.603 0.842 0.421 CB 0.966 20 residues pruned to eliminate duplicates Z: 18 9.403 1.687 0.413 0.541 0.882 0.529 CB 1.042 18 residues pruned to eliminate duplicates Z: 18 15.096 1.698 0.519 0.764 0.941 0.647 CB 1.194 18 residues pruned to eliminate duplicates Z: 24 13.730 1.710 0.532 0.672 0.913 0.609 CB 1.021 24 residues pruned to eliminate duplicates Z: 23 12.151 1.636 0.427 0.625 0.955 0.500 CB 1.034 23 residues pruned to eliminate duplicates Z: 25 15.140 1.736 0.676 0.632 0.833 0.500 CB 1.127 25 residues pruned to eliminate duplicates Z: 15 18.649 1.800 0.693 0.846 1.000 0.786 CB 1.215 15 residues pruned to eliminate duplicates Z: 46 37.033 1.981 0.627 0.773 0.956 0.733 CB 1.407 46 residues pruned to eliminate duplicates Z: 18 13.379 1.732 0.591 0.740 0.882 0.647 CB 1.076 18 residues pruned to eliminate duplicates Z: 22 11.965 1.722 0.511 0.670 0.905 0.476 CB 0.948 22 residues pruned to eliminate duplicates Z: 22 13.843 1.760 0.673 0.662 0.905 0.619 CB 0.976 22 residues pruned to eliminate duplicates Z: 48 35.288 1.978 0.622 0.754 0.936 0.702 CB 1.366 48 residues pruned to eliminate duplicates Z: 56 34.008 1.916 0.659 0.695 0.964 0.709 CB 1.253 56 residues pruned to eliminate duplicates Z: 55 34.258 1.946 0.597 0.708 0.963 0.722 CB 1.291 55 residues pruned to eliminate duplicates Z: 32 33.939 2.090 0.631 0.749 0.935 0.839 CB 1.530 32 residues pruned to eliminate duplicates Z: 54 33.386 1.907 0.543 0.731 0.962 0.736 CB 1.315 54 residues pruned to eliminate duplicates Z: 38 29.681 1.966 0.701 0.682 0.919 0.757 CB 1.343 38 residues pruned to eliminate duplicates Z: 45 41.268 1.992 0.784 0.767 0.977 0.773 CB 1.414 45 residues pruned to eliminate duplicates Z: 53 35.087 1.949 0.538 0.754 0.942 0.712 CB 1.374 53 residues pruned to eliminate duplicates Z: 52 30.963 1.927 0.593 0.751 0.863 0.647 CB 1.308 52 residues pruned to eliminate duplicates Z: 55 32.766 1.937 0.630 0.676 0.926 0.648 CB 1.297 55 residues pruned to eliminate duplicates Z: 34 31.058 2.019 0.647 0.698 0.970 0.515 CB 1.399 34 residues pruned to eliminate duplicates Z: 45 39.500 2.012 0.719 0.757 0.955 0.773 CB 1.436 45 residues pruned to eliminate duplicates Z: 46 36.867 1.992 0.779 0.755 0.933 0.733 CB 1.324 46 residues pruned to eliminate duplicates Z: 25 43.970 2.178 0.897 0.881 0.958 0.875 CB 1.642 25 residues pruned to eliminate duplicates Z: 37 29.348 2.000 0.754 0.701 0.861 0.778 CB 1.347 37 residues pruned to eliminate duplicates Z: 32 36.215 2.107 0.832 0.719 0.935 0.677 CB 1.478 32 residues pruned to eliminate duplicates Z: 45 40.486 2.032 0.797 0.786 0.909 0.795 CB 1.429 45 residues pruned to eliminate duplicates Z: 55 32.993 1.899 0.761 0.671 0.889 0.630 CB 1.290 55 residues pruned to eliminate duplicates Z: 46 37.848 2.006 0.757 0.763 0.933 0.756 CB 1.357 46 residues pruned to eliminate duplicates Z: 50 38.437 1.987 0.827 0.770 0.898 0.694 CB 1.326 50 residues pruned to eliminate duplicates Z: 27 42.412 2.148 0.943 0.802 0.962 0.654 CB 1.593 27 residues pruned to eliminate duplicates Z: 53 35.499 1.932 0.845 0.728 0.885 0.558 CB 1.271 53 residues pruned to eliminate duplicates Z: 31 33.492 2.039 0.856 0.749 0.933 0.767 CB 1.387 31 residues pruned to eliminate duplicates Z: 45 40.273 2.006 0.825 0.741 0.977 0.568 CB 1.368 45 residues pruned to eliminate duplicates Z: 46 40.471 2.004 0.812 0.755 0.978 0.667 CB 1.353 46 residues pruned to eliminate duplicates Z: 45 39.453 1.986 0.824 0.766 0.955 0.636 CB 1.359 45 residues pruned to eliminate duplicates Z: 31 35.681 2.103 0.954 0.773 0.867 0.600 CB 1.437 31 residues pruned to eliminate duplicates Z: 47 40.925 1.965 0.854 0.779 0.957 0.674 CB 1.354 47 residues pruned to eliminate duplicates Z: 47 42.386 1.979 0.950 0.756 0.957 0.739 CB 1.348 47 residues pruned to eliminate duplicates Z: 45 39.966 2.001 0.882 0.767 0.932 0.659 CB 1.355 45 residues pruned to eliminate duplicates Z: 33 28.462 1.939 0.851 0.584 0.906 0.562 CB 1.427 33 residues pruned to eliminate duplicates 375 residues left after pruning, divided into chains as follows: A: 17 B: 158 C: 12 D: 20 E: 168 CC for partial structure against native data = 47.33 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.459, Connect. = 0.699 for dens.mod. cycle 1 = 0.300, Contrast = 0.523, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.626, Connect. = 0.752 for dens.mod. cycle 3 = 0.300, Contrast = 0.636, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.648, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.652, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.657, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.659, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.661, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.662, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1269 peaks > 0.5 sigma used to seed fragment search Space for about 536 unique residues taking solvent into account 383 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 21.001 2.085 0.417 0.920 1.000 0.933 CB 1.292 B: 25 44.095 2.115 0.835 0.945 1.000 0.875 CB 1.605 C: 26 40.270 2.066 0.841 0.918 0.960 0.720 CB 1.556 26 residues pruned to eliminate duplicates D: 16 27.870 2.121 0.585 0.905 1.000 0.800 CB 1.524 E: 23 27.098 2.079 0.402 0.916 1.000 0.909 CB 1.400 F: 25 34.111 2.108 0.554 0.913 0.958 0.875 CB 1.569 25 residues pruned to eliminate duplicates G: 16 27.753 2.099 0.634 0.909 1.000 0.867 CB 1.483 16 residues pruned to eliminate duplicates H: 24 33.212 2.109 0.739 0.933 1.000 0.870 CB 1.317 23 residues pruned to eliminate duplicates I: 27 30.936 1.980 0.697 0.888 0.923 0.846 CB 1.410 27 residues pruned to eliminate duplicates J: 25 31.559 2.078 0.643 0.890 0.958 0.875 CB 1.417 25 residues pruned to eliminate duplicates K: 24 43.219 2.146 0.727 0.937 1.000 0.870 CB 1.692 24 residues pruned to eliminate duplicates L: 24 31.736 2.099 0.547 0.931 1.000 0.870 CB 1.424 24 residues pruned to eliminate duplicates M: 24 31.174 2.053 0.675 0.874 1.000 0.783 CB 1.375 24 residues pruned to eliminate duplicates N: 24 20.940 1.804 0.342 0.863 1.000 0.826 CA 1.324 O: 17 21.507 2.055 0.543 0.903 0.875 0.750 CB 1.381 16 residues pruned to eliminate duplicates P: 17 20.200 2.087 0.796 0.851 0.875 0.812 CB 1.140 17 residues pruned to eliminate duplicates Q: 23 32.621 2.124 0.680 0.893 1.000 0.773 CB 1.399 23 residues pruned to eliminate duplicates R: 16 24.179 2.074 0.704 0.918 0.933 0.867 CB 1.334 16 residues pruned to eliminate duplicates S: 26 38.324 2.036 1.019 0.900 0.960 0.800 CB 1.387 26 residues pruned to eliminate duplicates T: 26 34.802 2.087 0.667 0.930 1.000 0.920 CB 1.399 U: 17 17.236 2.027 0.346 0.898 0.875 0.812 CB 1.291 17 residues pruned to eliminate duplicates V: 17 22.456 2.050 0.773 0.913 0.938 0.750 CB 1.166 17 residues pruned to eliminate duplicates W: 25 33.462 2.102 0.591 0.938 0.958 0.917 CB 1.482 25 residues pruned to eliminate duplicates X: 15 24.393 1.815 1.009 0.875 1.000 0.500 CB 1.300 15 residues pruned to eliminate duplicates Y: 26 21.883 1.889 0.326 0.880 0.920 0.880 CB 1.375 Z: 26 34.702 2.017 0.846 0.898 1.000 0.880 CB 1.333 25 residues pruned to eliminate duplicates Z: 18 21.967 1.910 0.677 0.887 0.941 0.882 CB 1.275 Z: 26 27.081 1.853 0.698 0.871 0.920 0.680 CB 1.365 26 residues pruned to eliminate duplicates Z: 24 40.866 2.144 0.687 0.913 1.000 0.826 CB 1.668 24 residues pruned to eliminate duplicates Z: 17 25.452 2.049 0.550 0.885 1.000 0.750 CB 1.447 17 residues pruned to eliminate duplicates Z: 25 26.119 1.933 0.464 0.894 0.958 0.750 CB 1.410 26 residues pruned to eliminate duplicates Z: 26 37.161 2.076 0.770 0.936 1.000 0.960 CB 1.408 27 residues pruned to eliminate duplicates Z: 23 30.831 2.129 0.660 0.893 1.000 0.909 CB 1.335 23 residues pruned to eliminate duplicates Z: 24 21.856 1.847 0.790 0.792 0.913 0.565 CB 1.169 Z: 25 46.525 2.136 0.984 0.937 1.000 0.833 CB 1.560 25 residues pruned to eliminate duplicates Z: 17 27.305 2.049 0.707 0.884 1.000 0.688 CB 1.411 17 residues pruned to eliminate duplicates Z: 24 31.833 2.103 0.503 0.895 1.000 0.957 CA 1.505 24 residues pruned to eliminate duplicates Z: 25 38.581 2.108 0.625 0.947 1.000 0.917 CB 1.588 25 residues pruned to eliminate duplicates Z: 17 19.263 1.991 0.258 0.918 1.000 0.938 CB 1.357 17 residues pruned to eliminate duplicates Z: 14 21.436 1.955 0.604 0.838 0.923 0.692 CA 1.535 10 residues pruned to eliminate duplicates Z: 18 18.304 1.983 0.240 0.896 0.941 0.882 CA 1.374 17 residues pruned to eliminate duplicates Z: 14 20.215 1.989 0.782 0.882 1.000 0.769 CB 1.145 Z: 30 31.797 1.900 0.704 0.882 1.000 0.724 CB 1.320 24 residues pruned to eliminate duplicates Z: 16 26.616 2.082 0.727 0.884 1.000 0.800 CB 1.380 16 residues pruned to eliminate duplicates Z: 10 17.412 1.925 0.356 0.892 1.000 0.667 CA 1.597 10 residues pruned to eliminate duplicates Z: 25 21.619 1.886 0.237 0.951 1.000 0.917 CA 1.303 25 residues pruned to eliminate duplicates Z: 17 24.920 1.975 0.442 0.909 1.000 0.812 CB 1.553 16 residues pruned to eliminate duplicates Z: 21 17.724 1.723 0.577 0.853 1.000 0.800 CB 1.078 Z: 16 23.093 2.148 0.657 0.923 0.933 0.867 CB 1.261 17 residues pruned to eliminate duplicates Z: 18 27.547 2.055 0.483 0.942 1.000 0.941 CB 1.521 18 residues pruned to eliminate duplicates Z: 51 41.632 2.018 0.656 0.856 0.980 0.840 CB 1.325 50 residues pruned to eliminate duplicates Z: 27 33.484 2.025 0.711 0.904 1.000 0.923 CB 1.350 27 residues pruned to eliminate duplicates Z: 16 27.139 2.054 0.721 0.914 1.000 0.867 CB 1.402 17 residues pruned to eliminate duplicates Z: 24 35.064 2.094 0.973 0.877 1.000 0.478 CB 1.286 24 residues pruned to eliminate duplicates Z: 16 28.371 2.098 0.872 0.875 0.933 0.667 CB 1.453 16 residues pruned to eliminate duplicates Z: 19 23.713 1.860 0.880 0.848 0.889 0.611 CB 1.334 14 residues pruned to eliminate duplicates Z: 26 25.025 2.061 0.234 0.914 1.000 0.960 CA 1.392 26 residues pruned to eliminate duplicates Z: 26 34.011 2.070 0.758 0.898 1.000 0.960 CB 1.338 26 residues pruned to eliminate duplicates Z: 29 17.394 1.693 0.416 0.793 0.893 0.679 CB 1.189 Z: 25 27.164 1.916 0.576 0.878 0.958 0.667 CB 1.390 25 residues pruned to eliminate duplicates Z: 10 13.293 1.725 0.630 0.728 0.889 0.667 N 1.443 10 residues pruned to eliminate duplicates Z: 9 10.009 2.069 0.088 0.921 1.000 1.000 CB 1.106 Z: 20 22.954 1.835 0.603 0.865 1.000 0.895 CB 1.311 18 residues pruned to eliminate duplicates Z: 17 27.185 2.043 0.694 0.907 0.938 0.875 CB 1.488 17 residues pruned to eliminate duplicates Z: 13 15.048 1.886 0.580 0.880 0.750 0.500 N 1.408 13 residues pruned to eliminate duplicates Z: 21 30.261 1.899 0.826 0.887 1.000 0.700 CB 1.407 19 residues pruned to eliminate duplicates Z: 19 18.646 1.861 0.458 0.878 0.944 0.722 CB 1.245 19 residues pruned to eliminate duplicates Z: 28 31.631 2.024 0.616 0.854 0.963 0.852 CB 1.427 28 residues pruned to eliminate duplicates Z: 22 25.587 2.061 0.271 0.921 1.000 0.905 CB 1.500 22 residues pruned to eliminate duplicates Z: 26 30.768 2.011 0.621 0.906 0.960 0.880 CB 1.399 26 residues pruned to eliminate duplicates Z: 17 27.027 2.013 0.418 0.933 1.000 1.000 CB 1.651 17 residues pruned to eliminate duplicates Z: 26 26.936 2.045 0.387 0.889 0.960 0.800 CB 1.424 26 residues pruned to eliminate duplicates Z: 25 30.895 1.979 0.733 0.807 0.958 0.625 CB 1.469 28 residues pruned to eliminate duplicates Z: 25 23.808 1.899 0.410 0.840 0.958 0.833 CB 1.414 25 residues pruned to eliminate duplicates Z: 24 40.621 2.132 1.003 0.936 0.957 0.826 CB 1.444 24 residues pruned to eliminate duplicates Z: 26 30.926 2.088 0.556 0.935 1.000 0.920 CB 1.327 26 residues pruned to eliminate duplicates Z: 22 19.829 1.862 0.730 0.876 0.952 0.429 CB 1.025 22 residues pruned to eliminate duplicates Z: 24 38.025 2.127 0.601 0.937 1.000 0.913 CB 1.620 24 residues pruned to eliminate duplicates Z: 19 21.812 1.884 0.621 0.883 0.944 0.889 CB 1.289 19 residues pruned to eliminate duplicates Z: 20 24.685 1.911 0.591 0.888 0.947 0.684 CB 1.417 20 residues pruned to eliminate duplicates Z: 18 29.755 2.023 0.645 0.939 1.000 0.941 CB 1.506 18 residues pruned to eliminate duplicates Z: 16 22.834 2.100 0.461 0.890 1.000 0.733 CB 1.383 16 residues pruned to eliminate duplicates Z: 29 32.565 1.803 0.764 0.908 1.000 0.714 CB 1.375 22 residues pruned to eliminate duplicates Z: 24 30.075 2.096 0.578 0.907 0.957 0.783 CB 1.409 24 residues pruned to eliminate duplicates Z: 13 17.991 1.937 0.473 0.762 0.917 0.833 CB 1.573 13 residues pruned to eliminate duplicates Z: 25 16.126 1.662 0.569 0.872 0.958 0.792 CB 0.960 20 residues pruned to eliminate duplicates Z: 29 31.639 1.936 0.733 0.920 0.964 0.714 CB 1.302 29 residues pruned to eliminate duplicates Z: 25 28.958 2.068 0.712 0.870 1.000 0.708 CB 1.219 25 residues pruned to eliminate duplicates Z: 20 24.310 1.908 0.801 0.900 0.947 0.684 CB 1.224 20 residues pruned to eliminate duplicates Z: 25 23.719 2.053 0.311 0.885 0.958 0.750 CB 1.355 25 residues pruned to eliminate duplicates Z: 25 31.161 2.034 0.992 0.897 0.833 0.750 CB 1.348 25 residues pruned to eliminate duplicates Z: 19 26.106 1.937 0.636 0.898 1.000 0.833 CB 1.389 20 residues pruned to eliminate duplicates Z: 27 33.885 2.006 0.960 0.914 1.000 0.846 CB 1.195 27 residues pruned to eliminate duplicates Z: 14 17.733 1.831 0.692 0.801 0.846 0.538 CB 1.442 13 residues pruned to eliminate duplicates Z: 29 26.979 1.965 0.531 0.810 0.929 0.786 CB 1.393 29 residues pruned to eliminate duplicates Z: 20 30.226 1.958 0.698 0.928 1.000 0.947 CB 1.461 20 residues pruned to eliminate duplicates Z: 19 13.252 1.944 0.002 0.914 0.944 0.944 CB 1.201 19 residues pruned to eliminate duplicates Z: 25 34.499 2.097 1.041 0.872 0.917 0.667 CB 1.309 25 residues pruned to eliminate duplicates Z: 20 26.582 1.851 0.865 0.928 0.947 0.789 CB 1.306 20 residues pruned to eliminate duplicates Z: 17 21.970 1.908 0.444 0.913 1.000 0.688 CB 1.411 17 residues pruned to eliminate duplicates Z: 14 19.015 1.939 0.478 0.877 1.000 0.846 CB 1.336 14 residues pruned to eliminate duplicates Z: 17 16.846 1.811 0.478 0.902 0.938 0.812 CB 1.196 17 residues pruned to eliminate duplicates Z: 17 18.559 2.019 0.327 0.901 0.938 0.812 CB 1.319 17 residues pruned to eliminate duplicates Z: 18 31.432 2.009 0.808 0.925 1.000 0.824 CB 1.472 18 residues pruned to eliminate duplicates Z: 24 28.314 2.098 0.795 0.889 0.957 0.478 CB 1.180 24 residues pruned to eliminate duplicates Z: 26 32.685 2.062 0.650 0.909 0.960 0.880 CB 1.421 26 residues pruned to eliminate duplicates Z: 25 39.942 2.076 0.806 0.925 1.000 0.833 CB 1.526 25 residues pruned to eliminate duplicates Z: 8 10.035 1.560 0.575 0.873 1.000 0.714 CA 1.124 Z: 30 23.074 1.817 0.678 0.856 0.966 0.759 CB 1.073 18 residues pruned to eliminate duplicates Z: 24 25.835 1.875 0.396 0.897 1.000 0.957 CB 1.474 24 residues pruned to eliminate duplicates Z: 29 19.724 1.706 0.573 0.835 0.929 0.750 CB 1.121 29 residues pruned to eliminate duplicates Z: 24 36.525 2.133 0.925 0.897 1.000 0.739 CB 1.328 24 residues pruned to eliminate duplicates Z: 18 22.551 1.935 0.445 0.914 1.000 1.000 CB 1.383 18 residues pruned to eliminate duplicates Z: 29 16.319 1.715 0.341 0.881 0.929 0.679 CB 1.045 29 residues pruned to eliminate duplicates Z: 10 5.949 1.701 0.425 0.458 0.667 0.333 CB 1.281 7 residues pruned to eliminate duplicates Z: 18 24.952 1.942 0.636 0.886 1.000 0.824 CB 1.374 18 residues pruned to eliminate duplicates Z: 12 9.577 1.682 0.412 0.891 0.909 0.636 CB 0.961 12 residues pruned to eliminate duplicates Z: 27 34.035 2.041 0.858 0.915 0.962 0.885 CB 1.293 27 residues pruned to eliminate duplicates Z: 14 18.959 1.828 0.529 0.912 1.000 0.846 CB 1.333 14 residues pruned to eliminate duplicates Z: 8 10.042 1.708 0.473 0.859 1.000 1.000 CB 1.110 8 residues pruned to eliminate duplicates Z: 9 15.884 1.826 0.603 0.901 1.000 0.875 CA 1.370 Z: 24 47.183 2.147 1.216 0.942 0.957 0.696 CB 1.499 24 residues pruned to eliminate duplicates Z: 25 34.747 2.078 0.520 0.920 1.000 0.917 CB 1.581 25 residues pruned to eliminate duplicates Z: 21 24.345 1.884 0.453 0.875 0.950 0.900 CA 1.522 13 residues pruned to eliminate duplicates Z: 24 44.540 2.186 0.895 0.895 1.000 0.826 CB 1.607 24 residues pruned to eliminate duplicates Z: 23 34.544 2.151 0.738 0.918 1.000 0.682 CB 1.389 23 residues pruned to eliminate duplicates Z: 24 45.414 2.162 0.919 0.941 1.000 0.870 CB 1.584 24 residues pruned to eliminate duplicates Z: 27 23.953 1.973 0.284 0.854 1.000 0.885 CB 1.369 27 residues pruned to eliminate duplicates Z: 26 29.297 2.067 0.525 0.887 0.960 0.840 CB 1.396 26 residues pruned to eliminate duplicates Z: 9 6.514 1.573 0.229 0.803 0.875 0.625 CB 1.044 9 residues pruned to eliminate duplicates Z: 14 18.128 1.927 0.606 0.781 0.846 0.615 CA 1.499 14 residues pruned to eliminate duplicates Z: 17 29.669 2.051 0.728 0.933 1.000 0.875 CB 1.460 17 residues pruned to eliminate duplicates Z: 25 29.557 2.069 0.815 0.898 0.875 0.458 CB 1.314 25 residues pruned to eliminate duplicates Z: 29 21.201 1.707 0.503 0.871 1.000 0.786 CB 1.139 29 residues pruned to eliminate duplicates Z: 21 13.517 1.957 0.368 0.682 0.850 0.600 CB 1.124 9 residues pruned to eliminate duplicates Z: 16 22.567 2.151 0.593 0.903 0.933 0.800 CB 1.298 16 residues pruned to eliminate duplicates Z: 13 9.249 1.645 0.578 0.817 0.833 0.750 CB 0.938 13 residues pruned to eliminate duplicates Z: 32 39.424 1.958 0.790 0.857 0.968 0.677 CB 1.539 33 residues pruned to eliminate duplicates Z: 7 10.590 1.745 0.715 0.859 1.000 0.833 CB 1.063 7 residues pruned to eliminate duplicates Z: 9 20.260 2.098 0.407 0.897 1.000 1.000 CA 1.737 9 residues pruned to eliminate duplicates Z: 13 19.708 1.780 1.070 0.917 1.000 0.500 CB 1.090 13 residues pruned to eliminate duplicates Z: 28 17.423 1.755 0.483 0.854 0.889 0.704 CB 1.071 28 residues pruned to eliminate duplicates Z: 13 26.225 1.999 0.825 0.898 1.000 0.917 CB 1.484 13 residues pruned to eliminate duplicates Z: 8 15.592 2.057 0.569 0.905 1.000 0.857 CB 1.300 10 residues pruned to eliminate duplicates Z: 25 45.149 2.132 1.056 0.926 0.958 0.750 CB 1.538 25 residues pruned to eliminate duplicates Z: 11 10.274 1.801 0.423 0.902 0.900 0.900 CB 1.005 12 residues pruned to eliminate duplicates Z: 9 16.267 1.840 0.813 0.889 1.000 0.750 CB 1.241 8 residues pruned to eliminate duplicates Z: 20 18.010 1.873 0.554 0.872 1.000 0.895 CB 1.035 20 residues pruned to eliminate duplicates Z: 15 12.497 1.718 0.447 0.646 0.929 0.571 CB 1.263 15 residues pruned to eliminate duplicates Z: 26 23.445 1.741 0.762 0.890 0.960 0.520 CB 1.145 26 residues pruned to eliminate duplicates Z: 18 10.035 1.628 0.552 0.820 0.765 0.647 CB 0.954 18 residues pruned to eliminate duplicates Z: 11 19.596 1.943 0.496 0.916 1.000 1.000 CA 1.506 11 residues pruned to eliminate duplicates Z: 26 40.823 2.026 1.134 0.929 0.920 0.520 CB 1.437 26 residues pruned to eliminate duplicates Z: 17 20.370 1.889 0.800 0.905 0.938 0.875 CB 1.137 17 residues pruned to eliminate duplicates Z: 23 27.963 1.855 0.832 0.913 1.000 0.773 CB 1.242 23 residues pruned to eliminate duplicates Z: 21 24.971 1.877 0.439 0.892 0.950 0.950 CA 1.564 21 residues pruned to eliminate duplicates Z: 11 10.193 1.573 0.312 0.853 0.900 0.900 CA 1.281 11 residues pruned to eliminate duplicates Z: 17 22.621 1.884 0.838 0.884 1.000 0.625 CB 1.180 17 residues pruned to eliminate duplicates Z: 25 42.057 2.127 0.943 0.926 0.958 0.625 CB 1.520 25 residues pruned to eliminate duplicates Z: 25 37.154 2.077 0.664 0.934 1.000 0.917 CB 1.529 25 residues pruned to eliminate duplicates Z: 29 20.346 1.704 0.446 0.859 0.964 0.786 CB 1.191 29 residues pruned to eliminate duplicates Z: 7 8.512 1.690 0.363 0.827 1.000 0.833 CB 1.136 7 residues pruned to eliminate duplicates Z: 14 13.704 1.796 0.705 0.795 0.923 0.615 CB 1.038 14 residues pruned to eliminate duplicates Z: 24 35.584 2.099 0.902 0.915 0.957 0.783 CB 1.373 24 residues pruned to eliminate duplicates Z: 10 12.003 1.682 0.393 0.871 1.000 0.889 CA 1.245 10 residues pruned to eliminate duplicates Z: 21 28.177 2.126 0.580 0.918 1.000 0.950 CB 1.322 21 residues pruned to eliminate duplicates Z: 53 30.459 1.931 0.577 0.768 0.865 0.577 CB 1.265 48 residues pruned to eliminate duplicates Z: 20 19.807 1.937 0.707 0.787 0.895 0.421 CB 1.193 20 residues pruned to eliminate duplicates Z: 24 45.976 2.123 0.973 0.950 1.000 0.870 CB 1.578 24 residues pruned to eliminate duplicates Z: 16 23.979 2.078 0.834 0.908 0.933 0.800 CB 1.236 16 residues pruned to eliminate duplicates Z: 17 15.890 1.875 0.538 0.863 0.875 0.750 CB 1.155 17 residues pruned to eliminate duplicates Z: 19 19.077 1.819 0.369 0.902 1.000 0.778 CB 1.288 19 residues pruned to eliminate duplicates Z: 27 36.522 2.081 0.752 0.915 1.000 0.923 CB 1.388 27 residues pruned to eliminate duplicates Z: 20 29.046 1.924 0.740 0.908 1.000 0.737 CB 1.414 20 residues pruned to eliminate duplicates Z: 26 32.632 2.077 0.666 0.918 1.000 0.800 CB 1.330 26 residues pruned to eliminate duplicates 7 1.092 1.466 0.290 0.229 0.500 0.333 CB 0.647 ? Z: 9 16.965 1.865 0.643 0.917 1.000 1.000 CB 1.381 9 residues pruned to eliminate duplicates Z: 9 10.570 1.785 0.181 0.862 1.000 0.875 CB 1.302 9 residues pruned to eliminate duplicates Z: 12 8.331 1.507 0.676 0.752 0.909 0.636 CB 0.874 12 residues pruned to eliminate duplicates Z: 26 33.543 2.048 0.697 0.930 1.000 0.920 CB 1.350 26 residues pruned to eliminate duplicates Z: 29 27.004 1.860 0.723 0.839 0.964 0.821 CB 1.234 29 residues pruned to eliminate duplicates Z: 12 21.314 2.037 0.871 0.869 0.909 0.545 CB 1.355 12 residues pruned to eliminate duplicates Z: 27 20.096 1.730 0.489 0.863 0.962 0.615 CB 1.168 28 residues pruned to eliminate duplicates Z: 21 21.765 2.000 0.504 0.772 0.950 0.850 CB 1.338 18 residues pruned to eliminate duplicates Z: 28 28.461 1.947 0.455 0.879 1.000 0.889 CB 1.402 28 residues pruned to eliminate duplicates Z: 6 7.066 1.737 0.268 0.630 1.000 0.800 CB 1.270 6 residues pruned to eliminate duplicates Z: 15 16.790 1.827 0.264 0.907 0.929 0.786 CB 1.487 15 residues pruned to eliminate duplicates Z: 6 2.185 1.360 0.026 0.670 0.800 0.400 CB 0.748 Z: 24 32.302 2.093 0.594 0.912 1.000 0.913 CB 1.430 24 residues pruned to eliminate duplicates Z: 27 24.049 1.738 0.905 0.878 0.923 0.462 CB 1.121 27 residues pruned to eliminate duplicates Z: 29 17.639 1.922 0.340 0.583 0.929 0.750 CB 1.287 30 residues pruned to eliminate duplicates Z: 24 27.565 1.893 0.486 0.889 1.000 0.870 CB 1.472 24 residues pruned to eliminate duplicates Z: 19 26.807 2.006 0.491 0.888 1.000 0.944 CB 1.522 19 residues pruned to eliminate duplicates Z: 24 35.776 2.087 0.950 0.919 0.957 0.652 CB 1.350 24 residues pruned to eliminate duplicates Z: 24 25.885 2.079 0.443 0.907 0.957 0.739 CB 1.337 24 residues pruned to eliminate duplicates Z: 21 17.166 1.731 0.606 0.887 0.950 0.850 CB 1.048 21 residues pruned to eliminate duplicates Z: 13 15.115 1.808 0.515 0.880 1.000 0.917 CB 1.154 13 residues pruned to eliminate duplicates Z: 10 15.497 1.672 0.632 0.855 1.000 0.556 N 1.397 10 residues pruned to eliminate duplicates Z: 14 18.081 1.893 0.703 0.881 1.000 0.769 CB 1.126 14 residues pruned to eliminate duplicates Z: 22 15.007 1.699 0.564 0.832 0.905 0.571 CB 1.023 22 residues pruned to eliminate duplicates Z: 7 12.295 1.729 0.460 0.824 1.000 0.833 CA 1.502 7 residues pruned to eliminate duplicates Z: 20 26.137 1.911 0.603 0.910 1.000 0.947 CB 1.389 20 residues pruned to eliminate duplicates Z: 8 11.924 1.753 0.639 0.883 1.000 0.857 CB 1.134 8 residues pruned to eliminate duplicates Z: 27 19.989 1.785 0.331 0.862 1.000 0.654 CB 1.211 27 residues pruned to eliminate duplicates Z: 19 24.835 1.847 0.603 0.925 1.000 0.778 CB 1.387 19 residues pruned to eliminate duplicates Z: 11 10.242 1.578 0.270 0.850 1.000 0.900 CA 1.197 11 residues pruned to eliminate duplicates Z: 9 15.467 1.988 0.415 0.812 1.000 0.750 CA 1.482 9 residues pruned to eliminate duplicates Z: 31 21.149 1.932 0.291 0.782 0.900 0.833 CB 1.342 31 residues pruned to eliminate duplicates Z: 29 22.190 1.691 0.584 0.870 1.000 0.643 CB 1.142 28 residues pruned to eliminate duplicates Z: 11 11.597 1.780 0.533 0.912 1.000 0.800 CB 0.952 11 residues pruned to eliminate duplicates Z: 34 20.291 1.739 0.498 0.695 0.909 0.758 CB 1.248 39 residues pruned to eliminate duplicates Z: 10 11.176 1.768 0.501 0.900 1.000 0.667 CB 1.002 10 residues pruned to eliminate duplicates Z: 23 39.942 2.128 0.758 0.915 1.000 0.955 CA 1.609 23 residues pruned to eliminate duplicates Z: 20 26.433 1.890 0.595 0.931 1.000 0.947 CB 1.406 20 residues pruned to eliminate duplicates Z: 28 18.273 1.715 0.469 0.841 0.926 0.778 CB 1.124 28 residues pruned to eliminate duplicates Z: 22 28.387 1.892 0.626 0.930 1.000 0.762 CB 1.408 22 residues pruned to eliminate duplicates Z: 23 36.621 2.121 0.983 0.928 0.955 0.818 CB 1.362 23 residues pruned to eliminate duplicates Z: 24 20.280 1.800 0.775 0.806 1.000 0.652 CB 1.013 24 residues pruned to eliminate duplicates Z: 14 13.603 1.798 0.334 0.881 1.000 0.846 CB 1.139 14 residues pruned to eliminate duplicates Z: 9 14.163 1.702 0.667 0.884 1.000 0.750 CB 1.276 9 residues pruned to eliminate duplicates 7 1.671 1.419 -0.246 0.282 0.667 0.333 N 1.224 ? Z: 23 18.794 1.798 0.786 0.867 0.909 0.727 CB 1.004 23 residues pruned to eliminate duplicates Z: 24 49.049 2.126 1.305 0.942 1.000 0.783 CB 1.448 24 residues pruned to eliminate duplicates Z: 8 8.518 1.680 0.658 0.832 0.857 0.714 CB 1.013 8 residues pruned to eliminate duplicates Z: 25 15.944 1.682 0.673 0.833 0.958 0.708 CB 0.905 25 residues pruned to eliminate duplicates Z: 10 12.749 1.906 0.299 0.894 1.000 1.000 CB 1.231 10 residues pruned to eliminate duplicates Z: 17 14.646 1.784 0.292 0.835 0.938 0.812 CB 1.269 17 residues pruned to eliminate duplicates Z: 7 12.017 1.752 0.566 0.876 1.000 1.000 CA 1.299 7 residues pruned to eliminate duplicates Z: 27 30.650 1.899 0.745 0.947 1.000 0.846 CB 1.253 27 residues pruned to eliminate duplicates Z: 25 16.989 1.592 0.535 0.843 0.917 0.583 CB 1.153 25 residues pruned to eliminate duplicates Z: 6 8.815 1.454 0.573 0.840 1.000 0.400 CB 1.286 6 residues pruned to eliminate duplicates Z: 22 23.884 1.830 0.645 0.798 0.952 0.619 CB 1.401 22 residues pruned to eliminate duplicates Z: 20 22.807 1.914 0.435 0.858 0.947 0.789 CA 1.480 20 residues pruned to eliminate duplicates Z: 9 6.152 1.435 0.283 0.789 1.000 0.750 CB 0.917 9 residues pruned to eliminate duplicates Z: 18 16.137 1.844 0.068 0.925 1.000 1.000 CB 1.395 18 residues pruned to eliminate duplicates Z: 23 39.712 2.130 1.093 0.939 1.000 0.636 CB 1.320 23 residues pruned to eliminate duplicates Z: 14 7.749 1.626 0.611 0.438 0.769 0.385 CB 1.136 Z: 54 29.152 1.818 0.680 0.707 0.887 0.604 CB 1.225 54 residues pruned to eliminate duplicates Z: 26 30.861 2.055 0.540 0.872 1.000 0.800 CB 1.421 26 residues pruned to eliminate duplicates Z: 14 22.252 1.923 0.631 0.895 1.000 0.846 CA 1.411 14 residues pruned to eliminate duplicates Z: 20 16.325 1.720 0.466 0.854 0.947 0.474 CB 1.159 20 residues pruned to eliminate duplicates Z: 24 23.370 1.899 0.654 0.858 0.870 0.609 CB 1.314 24 residues pruned to eliminate duplicates Z: 24 22.322 2.024 0.482 0.885 0.957 0.870 CB 1.171 24 residues pruned to eliminate duplicates Z: 17 20.722 2.020 0.682 0.890 0.875 0.812 CB 1.254 19 residues pruned to eliminate duplicates Z: 9 11.701 1.995 0.485 0.874 1.000 0.625 CB 1.016 9 residues pruned to eliminate duplicates Z: 44 24.538 1.844 0.636 0.736 0.907 0.721 CB 1.106 44 residues pruned to eliminate duplicates Z: 6 4.113 1.545 0.335 0.668 0.800 0.400 CB 0.955 6 residues pruned to eliminate duplicates Z: 13 16.615 1.817 0.619 0.920 0.917 0.833 CB 1.252 13 residues pruned to eliminate duplicates Z: 9 9.848 1.885 0.229 0.895 1.000 1.000 CB 1.077 9 residues pruned to eliminate duplicates Z: 29 29.031 1.762 0.748 0.921 1.000 0.714 CB 1.253 29 residues pruned to eliminate duplicates Z: 8 11.399 2.060 0.159 0.758 1.000 0.857 CA 1.435 8 residues pruned to eliminate duplicates Z: 26 29.197 1.893 0.665 0.887 1.000 0.720 CB 1.336 26 residues pruned to eliminate duplicates Z: 14 24.645 2.143 0.509 0.888 0.923 0.923 CB 1.648 14 residues pruned to eliminate duplicates Z: 16 24.823 2.020 0.450 0.896 1.000 0.933 CB 1.568 16 residues pruned to eliminate duplicates Z: 10 12.153 1.541 0.759 0.911 1.000 0.667 CB 1.059 10 residues pruned to eliminate duplicates Z: 27 19.750 1.767 0.356 0.857 0.962 0.808 CB 1.239 27 residues pruned to eliminate duplicates Z: 16 27.199 1.911 0.819 0.874 1.000 0.733 CA 1.470 16 residues pruned to eliminate duplicates Z: 22 32.504 1.941 0.926 0.950 1.000 0.857 CB 1.308 22 residues pruned to eliminate duplicates Z: 15 6.894 1.507 0.147 0.623 0.857 0.714 CB 1.107 15 residues pruned to eliminate duplicates Z: 7 2.489 1.375 0.312 0.294 0.833 0.333 CB 0.851 Z: 8 7.136 1.600 1.234 0.833 0.857 0.429 CB 0.661 8 residues pruned to eliminate duplicates Z: 17 22.220 1.982 0.587 0.727 1.000 0.875 CB 1.440 17 residues pruned to eliminate duplicates Z: 12 9.472 1.545 0.624 0.778 0.909 0.545 CB 0.980 12 residues pruned to eliminate duplicates Z: 25 29.685 2.077 0.291 0.891 1.000 0.958 CB 1.624 25 residues pruned to eliminate duplicates Z: 8 6.344 1.792 0.404 0.875 0.857 0.571 CB 0.809 8 residues pruned to eliminate duplicates Z: 65 35.758 1.864 0.639 0.713 0.875 0.656 CB 1.379 65 residues pruned to eliminate duplicates Z: 20 13.112 1.665 0.447 0.844 1.000 0.789 CB 0.929 20 residues pruned to eliminate duplicates Z: 11 6.354 1.424 0.289 0.703 0.800 0.700 CA 1.138 11 residues pruned to eliminate duplicates Z: 25 33.240 2.010 0.985 0.891 0.917 0.458 CB 1.333 25 residues pruned to eliminate duplicates Z: 10 4.654 1.566 0.215 0.337 0.778 0.333 N 1.252 10 residues pruned to eliminate duplicates Z: 8 12.067 1.817 0.545 0.858 1.000 0.857 CB 1.196 8 residues pruned to eliminate duplicates Z: 26 37.309 2.065 0.790 0.924 0.960 0.840 CB 1.476 26 residues pruned to eliminate duplicates Z: 23 19.588 1.786 0.750 0.852 1.000 0.818 CB 0.988 23 residues pruned to eliminate duplicates Z: 11 10.336 1.622 0.362 0.798 0.900 0.700 CA 1.266 11 residues pruned to eliminate duplicates Z: 14 6.966 1.418 0.375 0.733 0.923 0.538 CB 0.870 12 residues pruned to eliminate duplicates Z: 12 9.508 1.692 0.265 0.874 1.000 0.909 CB 0.975 12 residues pruned to eliminate duplicates Z: 9 6.737 1.597 0.181 0.603 0.875 0.375 CB 1.309 9 residues pruned to eliminate duplicates Z: 7 3.436 1.311 0.721 0.240 0.833 0.500 CB 1.007 Z: 12 16.817 1.994 0.663 0.869 0.909 0.818 CB 1.229 12 residues pruned to eliminate duplicates Z: 13 11.845 1.616 0.376 0.761 1.000 0.500 CB 1.220 13 residues pruned to eliminate duplicates Z: 15 8.729 1.565 0.545 0.463 1.000 0.643 CB 1.002 15 residues pruned to eliminate duplicates Z: 29 24.767 1.817 0.909 0.860 0.929 0.679 CB 1.069 29 residues pruned to eliminate duplicates Z: 22 13.128 1.746 0.951 0.855 0.810 0.524 CB 0.767 22 residues pruned to eliminate duplicates Z: 23 28.583 2.129 0.534 0.907 0.955 0.773 CB 1.390 23 residues pruned to eliminate duplicates Z: 27 27.834 1.810 0.874 0.910 0.923 0.500 CB 1.237 27 residues pruned to eliminate duplicates Z: 9 6.330 1.715 0.517 0.819 0.875 0.750 CB 0.746 9 residues pruned to eliminate duplicates Z: 27 22.129 1.791 0.437 0.871 1.000 0.692 CB 1.230 27 residues pruned to eliminate duplicates Z: 18 22.826 1.949 0.313 0.872 1.000 1.000 CB 1.577 18 residues pruned to eliminate duplicates Z: 22 15.341 1.710 0.637 0.529 0.857 0.524 CB 1.355 22 residues pruned to eliminate duplicates Z: 22 18.335 1.694 0.502 0.880 0.905 0.762 CB 1.259 22 residues pruned to eliminate duplicates Z: 20 26.166 2.008 0.637 0.878 0.947 0.789 CB 1.399 20 residues pruned to eliminate duplicates Z: 22 34.631 2.137 0.811 0.937 1.000 0.667 CB 1.359 22 residues pruned to eliminate duplicates Z: 11 13.267 1.574 0.706 0.810 0.900 0.700 N 1.325 10 residues pruned to eliminate duplicates Z: 22 29.804 2.089 0.632 0.923 0.952 0.857 CB 1.408 22 residues pruned to eliminate duplicates Z: 11 2.369 1.593 0.073 0.399 0.800 0.400 CB 0.609 Z: 17 16.239 1.758 0.667 0.807 0.938 0.875 CB 1.130 17 residues pruned to eliminate duplicates Z: 7 2.875 1.551 0.835 0.545 0.833 0.833 CB 0.474 Z: 19 22.259 1.823 0.914 0.900 0.944 0.722 CB 1.137 19 residues pruned to eliminate duplicates Z: 24 22.844 1.798 0.841 0.837 0.957 0.565 CB 1.125 24 residues pruned to eliminate duplicates Z: 32 29.814 1.841 1.047 0.907 0.903 0.484 CB 1.118 32 residues pruned to eliminate duplicates Z: 28 27.010 2.032 0.564 0.799 0.963 0.778 CB 1.307 28 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 24.301 2.039 0.419 0.907 1.000 0.875 CB 1.493 17 residues pruned to eliminate duplicates Z: 17 26.900 2.001 0.535 0.893 1.000 0.875 CB 1.571 17 residues pruned to eliminate duplicates Z: 17 23.983 2.048 0.444 0.792 1.000 0.750 CB 1.568 17 residues pruned to eliminate duplicates Z: 20 20.229 1.831 0.594 0.714 1.000 0.789 CB 1.309 20 residues pruned to eliminate duplicates Z: 17 29.818 2.109 0.718 0.847 1.000 0.875 CB 1.528 17 residues pruned to eliminate duplicates Z: 18 26.544 2.013 0.589 0.848 1.000 0.765 CB 1.493 18 residues pruned to eliminate duplicates Z: 16 26.975 2.145 0.499 0.883 1.000 0.867 CB 1.567 16 residues pruned to eliminate duplicates Z: 16 28.554 2.142 0.693 0.874 0.933 0.933 CB 1.586 16 residues pruned to eliminate duplicates Z: 16 29.406 2.147 0.712 0.853 1.000 0.800 CB 1.527 16 residues pruned to eliminate duplicates Z: 17 29.644 2.089 0.642 0.841 1.000 0.875 CB 1.611 17 residues pruned to eliminate duplicates Z: 18 28.363 2.017 0.783 0.803 1.000 0.706 CB 1.468 17 residues pruned to eliminate duplicates Z: 17 28.272 2.084 0.739 0.867 0.938 0.812 CB 1.521 17 residues pruned to eliminate duplicates Z: 17 27.138 2.061 0.699 0.830 0.938 0.812 CB 1.554 17 residues pruned to eliminate duplicates Z: 16 29.827 2.155 0.664 0.879 1.000 0.933 CB 1.557 16 residues pruned to eliminate duplicates Z: 17 28.893 2.072 0.773 0.820 1.000 0.875 CB 1.490 17 residues pruned to eliminate duplicates Z: 26 23.195 1.850 0.456 0.674 1.000 0.720 CA 1.467 26 residues pruned to eliminate duplicates Z: 6 11.026 1.837 0.321 0.859 1.000 1.000 CA 1.496 6 residues pruned to eliminate duplicates Z: 13 7.741 1.718 0.279 0.473 0.917 0.667 CB 1.141 13 residues pruned to eliminate duplicates Z: 16 10.893 1.861 0.282 0.533 0.867 0.733 CB 1.316 16 residues pruned to eliminate duplicates Z: 16 11.377 1.944 0.250 0.543 0.800 0.800 CB 1.449 16 residues pruned to eliminate duplicates Z: 16 14.741 1.957 0.301 0.528 1.000 0.733 CA 1.455 16 residues pruned to eliminate duplicates Z: 18 15.848 1.921 0.244 0.564 1.000 0.706 CB 1.512 18 residues pruned to eliminate duplicates Z: 16 11.345 1.863 0.309 0.504 1.000 0.667 CB 1.196 16 residues pruned to eliminate duplicates Z: 16 13.755 1.947 0.201 0.518 1.000 0.667 CA 1.493 16 residues pruned to eliminate duplicates Z: 34 21.947 1.856 0.467 0.690 0.879 0.697 CB 1.342 34 residues pruned to eliminate duplicates Z: 24 20.584 1.883 0.542 0.669 0.957 0.696 CB 1.322 24 residues pruned to eliminate duplicates Z: 20 16.975 1.913 0.424 0.548 1.000 0.632 CB 1.364 20 residues pruned to eliminate duplicates Z: 21 21.175 1.790 0.890 0.552 0.900 0.350 CA 1.478 21 residues pruned to eliminate duplicates Z: 25 27.940 1.898 0.900 0.686 0.958 0.625 CB 1.391 25 residues pruned to eliminate duplicates Z: 24 26.074 1.929 0.836 0.680 0.957 0.609 CB 1.360 24 residues pruned to eliminate duplicates Z: 27 23.342 1.830 0.763 0.632 0.923 0.615 CB 1.357 27 residues pruned to eliminate duplicates Z: 22 25.329 1.923 0.670 0.692 1.000 0.619 CB 1.444 22 residues pruned to eliminate duplicates Z: 25 22.612 1.844 0.678 0.639 1.000 0.417 CB 1.310 25 residues pruned to eliminate duplicates Z: 23 19.050 1.758 0.748 0.588 0.864 0.500 CB 1.407 23 residues pruned to eliminate duplicates Z: 11 5.113 1.742 0.291 0.341 0.700 0.400 CB 1.222 11 residues pruned to eliminate duplicates Z: 10 17.098 1.926 0.532 0.884 1.000 0.889 CB 1.396 10 residues pruned to eliminate duplicates Z: 15 15.950 1.909 0.511 0.801 0.929 0.714 CB 1.223 15 residues pruned to eliminate duplicates Z: 40 27.772 1.872 0.556 0.785 0.923 0.718 CB 1.288 40 residues pruned to eliminate duplicates Z: 12 13.676 1.927 0.801 0.648 0.818 0.364 CB 1.265 12 residues pruned to eliminate duplicates Z: 40 30.145 1.847 0.682 0.805 0.923 0.769 CB 1.290 40 residues pruned to eliminate duplicates Z: 54 40.233 1.930 0.642 0.771 0.943 0.755 CB 1.454 54 residues pruned to eliminate duplicates Z: 58 37.404 1.865 0.780 0.741 0.965 0.684 CB 1.246 58 residues pruned to eliminate duplicates Z: 21 22.955 1.883 0.688 0.873 1.000 0.850 CB 1.176 32 residues pruned to eliminate duplicates Z: 22 20.631 1.863 0.779 0.838 0.952 0.810 CB 1.067 22 residues pruned to eliminate duplicates Z: 50 27.396 1.851 0.611 0.668 0.857 0.673 CB 1.311 50 residues pruned to eliminate duplicates Z: 34 27.946 1.916 0.553 0.833 0.970 0.788 CB 1.265 34 residues pruned to eliminate duplicates Z: 31 29.249 1.898 0.684 0.801 0.967 0.733 CB 1.329 31 residues pruned to eliminate duplicates Z: 40 27.107 1.870 0.641 0.784 0.897 0.718 CB 1.227 40 residues pruned to eliminate duplicates Z: 45 30.175 1.850 0.728 0.699 0.909 0.568 CB 1.306 45 residues pruned to eliminate duplicates Z: 63 34.293 1.879 0.605 0.713 0.855 0.629 CB 1.392 63 residues pruned to eliminate duplicates Z: 40 32.144 1.874 0.698 0.825 0.949 0.692 CB 1.287 40 residues pruned to eliminate duplicates Z: 32 26.562 1.910 0.621 0.656 0.903 0.548 CB 1.476 32 residues pruned to eliminate duplicates Z: 39 30.497 1.889 0.566 0.799 0.921 0.684 CB 1.398 39 residues pruned to eliminate duplicates Z: 41 30.956 1.898 0.732 0.768 0.950 0.650 CB 1.236 41 residues pruned to eliminate duplicates Z: 45 24.687 1.809 0.547 0.602 0.886 0.659 CB 1.361 45 residues pruned to eliminate duplicates Z: 55 29.830 1.847 0.444 0.699 0.926 0.630 CB 1.370 55 residues pruned to eliminate duplicates Z: 44 34.778 1.898 0.687 0.848 0.953 0.721 CB 1.288 44 residues pruned to eliminate duplicates Z: 36 30.420 1.833 0.733 0.800 0.943 0.629 CB 1.320 36 residues pruned to eliminate duplicates Z: 58 36.426 1.906 0.601 0.772 0.912 0.702 CB 1.362 58 residues pruned to eliminate duplicates Z: 70 41.286 1.929 0.630 0.763 0.899 0.681 CB 1.393 70 residues pruned to eliminate duplicates Z: 64 39.897 1.914 0.627 0.774 0.921 0.714 CB 1.375 64 residues pruned to eliminate duplicates Z: 39 34.424 1.941 0.624 0.763 0.947 0.711 CB 1.480 39 residues pruned to eliminate duplicates Z: 24 19.291 1.748 0.649 0.627 0.957 0.565 CB 1.294 24 residues pruned to eliminate duplicates Z: 54 30.091 1.855 0.554 0.725 0.943 0.642 CB 1.242 54 residues pruned to eliminate duplicates Z: 18 20.544 1.866 0.695 0.704 0.941 0.647 CB 1.390 18 residues pruned to eliminate duplicates Z: 39 29.238 1.878 0.656 0.795 0.921 0.711 CB 1.278 39 residues pruned to eliminate duplicates Z: 58 30.167 1.820 0.667 0.683 0.895 0.649 CB 1.245 58 residues pruned to eliminate duplicates Z: 27 25.885 1.909 0.594 0.749 0.923 0.692 CB 1.447 27 residues pruned to eliminate duplicates Z: 33 42.632 2.018 0.855 0.807 0.969 0.656 CB 1.590 33 residues pruned to eliminate duplicates Z: 25 28.183 1.979 0.691 0.722 0.875 0.708 CB 1.607 25 residues pruned to eliminate duplicates Z: 49 33.242 1.877 0.614 0.705 0.938 0.604 CB 1.402 49 residues pruned to eliminate duplicates Z: 22 28.901 2.000 0.690 0.762 0.905 0.762 CB 1.633 22 residues pruned to eliminate duplicates Z: 29 25.443 1.919 0.685 0.687 0.821 0.607 CB 1.526 29 residues pruned to eliminate duplicates Z: 43 25.047 1.749 0.690 0.628 0.881 0.524 CB 1.316 43 residues pruned to eliminate duplicates Z: 62 30.832 1.870 0.719 0.666 0.820 0.574 CB 1.285 62 residues pruned to eliminate duplicates Z: 20 12.376 1.867 0.737 0.428 0.684 0.474 CB 1.379 20 residues pruned to eliminate duplicates Z: 43 29.036 1.886 0.739 0.635 0.905 0.667 CB 1.330 43 residues pruned to eliminate duplicates Z: 56 32.766 1.886 0.711 0.759 0.873 0.600 CB 1.246 56 residues pruned to eliminate duplicates Z: 30 25.163 1.874 0.785 0.646 0.862 0.586 CB 1.414 30 residues pruned to eliminate duplicates Z: 25 29.891 1.985 0.698 0.764 0.958 0.500 CB 1.495 25 residues pruned to eliminate duplicates Z: 25 31.267 1.971 0.834 0.785 0.917 0.625 CB 1.500 25 residues pruned to eliminate duplicates Z: 36 29.245 1.879 0.707 0.697 0.971 0.571 CB 1.324 36 residues pruned to eliminate duplicates Z: 26 25.275 1.952 0.661 0.730 0.880 0.360 CB 1.440 26 residues pruned to eliminate duplicates Z: 63 32.086 1.868 0.635 0.684 0.871 0.532 CB 1.294 63 residues pruned to eliminate duplicates Z: 57 38.091 1.879 0.676 0.716 0.964 0.643 CB 1.379 57 residues pruned to eliminate duplicates Z: 87 38.558 1.882 0.558 0.714 0.907 0.605 CB 1.288 87 residues pruned to eliminate duplicates Z: 86 42.617 1.922 0.646 0.719 0.918 0.576 CB 1.307 86 residues pruned to eliminate duplicates Z: 36 27.557 1.857 0.751 0.641 0.914 0.629 CB 1.373 36 residues pruned to eliminate duplicates Z: 113 44.926 1.910 0.636 0.701 0.893 0.536 CB 1.266 113 residues pruned to eliminate duplicates Z: 56 29.241 1.857 0.547 0.689 0.855 0.545 CB 1.351 56 residues pruned to eliminate duplicates Z: 30 19.468 1.801 0.354 0.733 0.931 0.724 CB 1.291 30 residues pruned to eliminate duplicates Z: 38 25.492 1.849 0.672 0.607 0.919 0.486 CB 1.333 38 residues pruned to eliminate duplicates Z: 10 11.557 1.728 0.555 0.664 1.000 0.667 CB 1.232 10 residues pruned to eliminate duplicates Z: 30 23.139 1.847 0.493 0.755 0.966 0.655 CB 1.286 30 residues pruned to eliminate duplicates Z: 58 28.614 1.925 0.486 0.705 0.912 0.544 CB 1.205 58 residues pruned to eliminate duplicates Z: 63 35.573 1.837 0.684 0.692 0.935 0.661 CB 1.309 63 residues pruned to eliminate duplicates Z: 23 18.284 1.833 0.369 0.731 0.955 0.727 CB 1.322 23 residues pruned to eliminate duplicates Z: 41 26.004 1.816 0.644 0.683 0.900 0.500 CB 1.293 41 residues pruned to eliminate duplicates Z: 29 17.759 1.836 0.477 0.686 0.857 0.536 CB 1.218 29 residues pruned to eliminate duplicates Z: 26 16.544 1.771 0.583 0.609 0.840 0.440 CB 1.267 26 residues pruned to eliminate duplicates Z: 51 32.776 1.930 0.570 0.727 0.960 0.620 CB 1.299 51 residues pruned to eliminate duplicates Z: 31 18.186 1.808 0.524 0.710 0.833 0.467 CB 1.195 31 residues pruned to eliminate duplicates Z: 32 19.482 1.786 0.519 0.624 0.935 0.581 CB 1.226 32 residues pruned to eliminate duplicates Z: 27 15.229 1.774 0.444 0.610 0.846 0.577 CB 1.242 27 residues pruned to eliminate duplicates Z: 58 34.581 1.940 0.629 0.743 0.930 0.649 CB 1.254 58 residues pruned to eliminate duplicates Z: 28 18.528 1.797 0.555 0.634 0.889 0.630 CB 1.266 28 residues pruned to eliminate duplicates Z: 27 22.125 1.831 0.612 0.666 0.923 0.731 CB 1.366 27 residues pruned to eliminate duplicates Z: 29 20.327 1.830 0.553 0.721 0.929 0.679 CB 1.192 29 residues pruned to eliminate duplicates Z: 23 19.204 1.857 0.450 0.753 0.955 0.591 CB 1.271 23 residues pruned to eliminate duplicates Z: 51 31.311 1.960 0.501 0.738 0.940 0.620 CB 1.294 51 residues pruned to eliminate duplicates Z: 25 18.026 1.820 0.502 0.744 0.875 0.583 CB 1.237 25 residues pruned to eliminate duplicates Z: 30 20.067 1.849 0.731 0.700 0.828 0.552 CB 1.172 30 residues pruned to eliminate duplicates Z: 23 17.198 1.850 0.490 0.719 0.864 0.591 CB 1.264 23 residues pruned to eliminate duplicates Z: 32 17.829 1.786 0.490 0.587 0.903 0.452 CB 1.226 32 residues pruned to eliminate duplicates Z: 30 21.817 1.825 0.469 0.742 0.931 0.621 CB 1.307 30 residues pruned to eliminate duplicates Z: 35 17.655 1.774 0.473 0.658 0.853 0.559 CB 1.173 35 residues pruned to eliminate duplicates Z: 52 32.541 1.950 0.575 0.739 0.902 0.647 CB 1.327 52 residues pruned to eliminate duplicates Z: 34 17.352 1.792 0.376 0.551 0.909 0.545 CB 1.282 34 residues pruned to eliminate duplicates Z: 85 42.481 1.987 0.592 0.756 0.905 0.679 CB 1.289 85 residues pruned to eliminate duplicates Z: 51 27.209 1.926 0.495 0.706 0.880 0.540 CB 1.259 51 residues pruned to eliminate duplicates Z: 67 31.464 1.875 0.581 0.674 0.924 0.500 CB 1.204 67 residues pruned to eliminate duplicates Z: 26 25.729 2.081 0.535 0.832 0.920 0.640 CB 1.315 26 residues pruned to eliminate duplicates Z: 27 27.063 2.076 0.727 0.793 0.885 0.615 CB 1.294 27 residues pruned to eliminate duplicates Z: 47 30.312 1.964 0.525 0.759 0.891 0.587 CB 1.329 47 residues pruned to eliminate duplicates Z: 83 44.342 1.972 0.603 0.793 0.915 0.707 CB 1.310 83 residues pruned to eliminate duplicates Z: 25 28.011 2.074 0.596 0.873 0.958 0.708 CB 1.313 25 residues pruned to eliminate duplicates Z: 52 30.093 1.924 0.536 0.745 0.902 0.725 CB 1.270 52 residues pruned to eliminate duplicates Z: 36 26.802 1.987 0.599 0.659 0.971 0.657 CB 1.266 36 residues pruned to eliminate duplicates Z: 54 28.943 1.934 0.575 0.708 0.868 0.623 CB 1.244 54 residues pruned to eliminate duplicates Z: 28 31.697 2.072 0.800 0.779 0.963 0.741 CB 1.328 28 residues pruned to eliminate duplicates Z: 29 25.477 2.007 0.686 0.741 0.929 0.536 CB 1.235 29 residues pruned to eliminate duplicates Z: 53 30.571 1.920 0.632 0.708 0.885 0.519 CB 1.267 53 residues pruned to eliminate duplicates Z: 28 25.763 2.056 0.685 0.766 0.926 0.704 CB 1.221 28 residues pruned to eliminate duplicates Z: 24 32.519 2.143 0.744 0.882 0.957 0.739 CB 1.372 24 residues pruned to eliminate duplicates Z: 53 31.381 1.910 0.634 0.682 0.923 0.538 CB 1.278 53 residues pruned to eliminate duplicates Z: 52 31.082 1.946 0.562 0.713 0.902 0.510 CB 1.309 52 residues pruned to eliminate duplicates Z: 27 30.569 2.058 0.740 0.796 0.962 0.692 CB 1.344 27 residues pruned to eliminate duplicates Z: 55 29.304 1.898 0.626 0.678 0.907 0.537 CB 1.209 55 residues pruned to eliminate duplicates Z: 55 37.037 1.957 0.719 0.775 0.944 0.667 CB 1.244 55 residues pruned to eliminate duplicates Z: 24 35.948 2.150 0.884 0.890 1.000 0.739 CB 1.331 24 residues pruned to eliminate duplicates Z: 55 32.577 1.945 0.663 0.715 0.889 0.593 CB 1.269 55 residues pruned to eliminate duplicates Z: 83 44.407 1.925 0.727 0.743 0.927 0.598 CB 1.280 83 residues pruned to eliminate duplicates Z: 55 31.781 1.926 0.623 0.710 0.907 0.537 CB 1.260 55 residues pruned to eliminate duplicates Z: 64 29.258 1.907 0.578 0.656 0.841 0.571 CB 1.259 64 residues pruned to eliminate duplicates Z: 114 51.292 1.940 0.621 0.787 0.938 0.681 CB 1.271 114 residues pruned to eliminate duplicates Z: 64 33.846 1.893 0.670 0.680 0.921 0.571 CB 1.242 64 residues pruned to eliminate duplicates Z: 27 28.844 2.045 0.510 0.828 0.962 0.885 CB 1.435 27 residues pruned to eliminate duplicates Z: 25 34.296 2.098 0.757 0.863 0.958 0.875 CB 1.455 25 residues pruned to eliminate duplicates Z: 13 3.895 1.707 0.496 0.328 0.833 0.333 CB 0.637 13 residues pruned to eliminate duplicates Z: 27 32.891 2.080 0.647 0.871 1.000 0.885 CB 1.374 27 residues pruned to eliminate duplicates Z: 81 43.173 1.971 0.615 0.774 0.950 0.725 CB 1.253 79 residues pruned to eliminate duplicates Z: 26 29.666 2.044 0.601 0.867 1.000 0.880 CB 1.327 26 residues pruned to eliminate duplicates Z: 27 33.768 2.084 0.631 0.925 1.000 0.885 CB 1.368 27 residues pruned to eliminate duplicates Z: 27 38.458 2.065 0.969 0.881 1.000 0.808 CB 1.343 27 residues pruned to eliminate duplicates Z: 27 34.012 2.092 0.801 0.845 0.962 0.846 CB 1.370 29 residues pruned to eliminate duplicates Z: 53 41.560 2.074 0.641 0.835 0.942 0.865 CB 1.347 53 residues pruned to eliminate duplicates Z: 26 37.330 2.101 0.724 0.890 1.000 0.840 CB 1.483 26 residues pruned to eliminate duplicates Z: 26 32.751 2.078 0.755 0.888 0.960 0.960 CB 1.348 26 residues pruned to eliminate duplicates Z: 25 38.806 2.128 0.824 0.865 1.000 0.833 CB 1.495 25 residues pruned to eliminate duplicates Z: 30 33.445 2.028 0.887 0.829 0.966 0.828 CB 1.265 30 residues pruned to eliminate duplicates Z: 59 40.902 2.005 0.797 0.765 0.914 0.741 CB 1.289 59 residues pruned to eliminate duplicates Z: 26 37.087 2.083 0.759 0.904 1.000 0.800 CB 1.442 26 residues pruned to eliminate duplicates Z: 76 40.031 1.952 0.658 0.724 0.920 0.653 CB 1.268 76 residues pruned to eliminate duplicates Z: 28 36.107 2.068 0.722 0.883 1.000 0.926 CB 1.411 28 residues pruned to eliminate duplicates Z: 25 41.919 2.117 0.862 0.905 1.000 0.875 CB 1.545 25 residues pruned to eliminate duplicates Z: 58 43.864 2.018 0.913 0.774 0.912 0.649 CB 1.295 54 residues pruned to eliminate duplicates Z: 26 36.816 2.090 0.760 0.879 0.960 0.760 CB 1.512 30 residues pruned to eliminate duplicates Z: 27 33.043 2.069 0.614 0.931 1.000 0.923 CB 1.356 27 residues pruned to eliminate duplicates Z: 26 35.494 2.100 0.746 0.909 1.000 0.920 CB 1.373 26 residues pruned to eliminate duplicates Z: 75 45.974 2.007 0.730 0.763 0.919 0.676 CB 1.326 74 residues pruned to eliminate duplicates Z: 26 37.834 2.090 0.865 0.906 1.000 0.840 CB 1.381 26 residues pruned to eliminate duplicates Z: 14 14.000 1.826 0.769 0.668 1.000 0.846 CB 1.030 11 residues pruned to eliminate duplicates Z: 14 13.992 1.765 0.581 0.692 1.000 0.692 CB 1.166 14 residues pruned to eliminate duplicates Z: 15 11.648 1.524 0.560 0.656 0.857 0.643 CB 1.322 12 residues pruned to eliminate duplicates Z: 12 10.919 1.656 0.641 0.739 0.818 0.727 CB 1.195 12 residues pruned to eliminate duplicates Z: 17 12.286 1.690 0.425 0.491 1.000 0.438 N 1.286 14 residues pruned to eliminate duplicates Z: 10 12.147 1.727 0.606 0.790 0.889 0.556 N 1.273 10 residues pruned to eliminate duplicates Z: 15 10.990 1.789 0.652 0.603 0.857 0.571 CB 1.051 15 residues pruned to eliminate duplicates Z: 32 23.907 1.799 0.786 0.662 0.968 0.645 CB 1.188 36 residues pruned to eliminate duplicates Z: 8 15.602 1.894 0.776 0.829 1.000 0.429 CB 1.320 8 residues pruned to eliminate duplicates Z: 12 11.939 1.871 0.610 0.689 1.000 0.727 CB 1.005 16 residues pruned to eliminate duplicates Z: 19 18.554 2.010 0.159 0.850 0.944 0.889 CB 1.472 18 residues pruned to eliminate duplicates Z: 18 20.647 2.067 0.374 0.810 0.941 0.706 CB 1.430 18 residues pruned to eliminate duplicates Z: 19 20.001 2.091 0.358 0.749 1.000 0.778 CB 1.329 19 residues pruned to eliminate duplicates Z: 20 22.920 2.074 0.684 0.768 0.895 0.684 CB 1.326 21 residues pruned to eliminate duplicates Z: 17 19.637 2.058 0.767 0.839 0.812 0.625 CB 1.240 17 residues pruned to eliminate duplicates Z: 21 23.178 2.052 0.743 0.704 0.900 0.600 CB 1.338 21 residues pruned to eliminate duplicates Z: 22 22.278 1.950 0.743 0.769 0.905 0.571 CB 1.245 22 residues pruned to eliminate duplicates Z: 20 26.542 2.034 0.799 0.797 1.000 0.579 CB 1.283 18 residues pruned to eliminate duplicates Z: 16 31.423 2.166 0.884 0.944 1.000 0.800 CB 1.377 18 residues pruned to eliminate duplicates Z: 17 23.329 2.071 0.785 0.904 0.875 0.750 CB 1.284 17 residues pruned to eliminate duplicates Z: 21 21.096 1.996 0.632 0.805 0.900 0.850 CB 1.233 21 residues pruned to eliminate duplicates Z: 21 24.033 1.997 0.680 0.774 1.000 0.600 CB 1.258 20 residues pruned to eliminate duplicates Z: 16 28.705 2.172 0.794 0.919 0.933 0.733 CB 1.436 16 residues pruned to eliminate duplicates Z: 16 29.187 2.173 0.879 0.917 1.000 0.667 CB 1.302 16 residues pruned to eliminate duplicates Z: 20 28.477 2.085 0.779 0.822 1.000 0.684 CB 1.332 21 residues pruned to eliminate duplicates Z: 16 27.833 2.180 0.857 0.929 1.000 0.733 CB 1.243 16 residues pruned to eliminate duplicates Z: 20 26.659 2.069 0.732 0.813 0.947 0.842 CB 1.372 18 residues pruned to eliminate duplicates Z: 8 7.444 1.744 0.469 0.584 1.000 0.714 CB 1.013 8 residues pruned to eliminate duplicates Z: 10 10.332 1.928 0.265 0.762 1.000 0.778 CB 1.119 10 residues pruned to eliminate duplicates Z: 23 16.438 1.988 0.480 0.598 0.909 0.864 CB 1.193 37 residues pruned to eliminate duplicates Z: 31 20.073 1.994 0.480 0.660 0.900 0.667 CB 1.189 31 residues pruned to eliminate duplicates Z: 23 15.814 1.937 0.457 0.676 0.955 0.682 CB 1.064 23 residues pruned to eliminate duplicates Z: 42 26.461 1.976 0.509 0.684 0.927 0.659 CB 1.262 38 residues pruned to eliminate duplicates Z: 10 16.082 1.927 0.675 0.907 1.000 0.667 CB 1.180 10 residues pruned to eliminate duplicates Z: 9 12.875 2.067 0.471 0.903 1.000 1.000 CB 1.067 9 residues pruned to eliminate duplicates Z: 32 19.682 1.975 0.412 0.616 0.935 0.677 CB 1.213 32 residues pruned to eliminate duplicates Z: 23 17.218 1.985 0.448 0.599 0.955 0.727 CB 1.217 23 residues pruned to eliminate duplicates Z: 19 17.577 2.079 0.557 0.674 1.000 0.778 CB 1.091 19 residues pruned to eliminate duplicates Z: 36 16.766 1.913 0.356 0.578 0.857 0.629 CB 1.183 36 residues pruned to eliminate duplicates Z: 33 21.818 2.001 0.516 0.599 0.969 0.656 CB 1.193 33 residues pruned to eliminate duplicates Z: 21 17.579 2.025 0.374 0.667 1.000 0.750 CB 1.211 21 residues pruned to eliminate duplicates Z: 13 15.248 1.877 0.700 0.571 1.000 0.583 CB 1.288 13 residues pruned to eliminate duplicates Z: 22 18.300 1.995 0.545 0.654 0.952 0.714 CB 1.179 22 residues pruned to eliminate duplicates Z: 18 7.983 1.835 0.386 0.478 0.706 0.588 CB 1.102 18 residues pruned to eliminate duplicates Z: 22 15.942 1.955 0.519 0.596 0.857 0.714 CB 1.248 22 residues pruned to eliminate duplicates Z: 14 9.654 1.788 0.419 0.525 0.769 0.538 CB 1.340 14 residues pruned to eliminate duplicates Z: 13 9.509 1.843 0.471 0.565 0.833 0.667 CB 1.141 13 residues pruned to eliminate duplicates Z: 41 28.635 1.931 0.522 0.691 0.950 0.700 CB 1.362 41 residues pruned to eliminate duplicates Z: 39 26.616 1.944 0.618 0.637 0.921 0.632 CB 1.311 39 residues pruned to eliminate duplicates Z: 24 20.368 1.785 0.555 0.739 0.913 0.739 CB 1.352 24 residues pruned to eliminate duplicates Z: 39 27.683 1.966 0.531 0.674 0.947 0.763 CB 1.341 39 residues pruned to eliminate duplicates Z: 32 22.233 2.034 0.595 0.597 0.968 0.710 CB 1.160 32 residues pruned to eliminate duplicates Z: 25 20.096 1.841 0.611 0.704 0.875 0.583 CB 1.312 25 residues pruned to eliminate duplicates Z: 45 26.726 1.953 0.558 0.674 0.909 0.750 CB 1.241 45 residues pruned to eliminate duplicates Z: 20 26.461 1.881 0.810 0.772 0.947 0.842 CA 1.479 20 residues pruned to eliminate duplicates Z: 40 26.726 1.956 0.528 0.662 0.949 0.718 CB 1.298 39 residues pruned to eliminate duplicates Z: 21 22.276 1.877 0.665 0.913 0.950 0.700 CB 1.187 21 residues pruned to eliminate duplicates Z: 40 27.984 1.936 0.691 0.696 0.949 0.615 CB 1.206 40 residues pruned to eliminate duplicates Z: 26 18.152 1.824 0.541 0.678 0.840 0.480 CB 1.306 26 residues pruned to eliminate duplicates Z: 20 24.537 1.918 0.830 0.801 0.895 0.421 CB 1.378 20 residues pruned to eliminate duplicates Z: 41 28.845 1.999 0.625 0.703 0.975 0.650 CB 1.197 41 residues pruned to eliminate duplicates Z: 25 23.500 1.850 0.783 0.713 0.875 0.500 CB 1.370 25 residues pruned to eliminate duplicates Z: 26 21.806 1.840 0.600 0.706 0.880 0.400 CB 1.396 26 residues pruned to eliminate duplicates Z: 19 25.860 1.956 0.728 0.745 0.944 0.611 CB 1.534 19 residues pruned to eliminate duplicates Z: 43 30.094 1.938 0.664 0.716 1.000 0.643 CB 1.185 44 residues pruned to eliminate duplicates Z: 28 31.941 1.827 0.720 0.897 1.000 0.704 CB 1.400 28 residues pruned to eliminate duplicates Z: 43 28.694 1.958 0.690 0.662 0.952 0.571 CB 1.209 43 residues pruned to eliminate duplicates Z: 47 28.292 1.873 0.666 0.714 0.870 0.674 CB 1.266 47 residues pruned to eliminate duplicates Z: 28 26.804 1.801 0.711 0.819 0.963 0.741 CB 1.319 28 residues pruned to eliminate duplicates Z: 25 28.234 1.844 0.741 0.845 0.958 0.792 CB 1.393 25 residues pruned to eliminate duplicates Z: 33 27.148 1.716 0.845 0.728 0.938 0.594 CB 1.317 33 residues pruned to eliminate duplicates Z: 39 26.958 1.778 0.744 0.711 0.895 0.500 CB 1.302 39 residues pruned to eliminate duplicates Z: 54 24.795 1.868 0.523 0.627 0.887 0.566 CB 1.198 54 residues pruned to eliminate duplicates Z: 8 6.059 1.473 0.631 0.597 0.714 0.571 CB 1.216 8 residues pruned to eliminate duplicates Z: 6 6.052 1.531 0.566 0.670 0.800 0.600 CB 1.206 6 residues pruned to eliminate duplicates Z: 9 7.632 1.448 0.663 0.733 0.875 0.625 CB 1.038 9 residues pruned to eliminate duplicates Z: 9 9.793 1.523 0.547 0.876 1.000 0.875 CA 1.068 9 residues pruned to eliminate duplicates 11 1.644 1.311 0.332 0.329 0.500 0.100 CB 0.718 ? Z: 34 15.895 1.780 0.400 0.598 0.818 0.606 CB 1.236 34 residues pruned to eliminate duplicates Z: 9 4.707 1.673 0.233 0.511 0.750 0.250 CB 1.065 9 residues pruned to eliminate duplicates Z: 23 10.993 1.737 0.421 0.600 0.727 0.500 CB 1.187 23 residues pruned to eliminate duplicates Z: 43 16.557 1.777 0.355 0.613 0.833 0.690 CB 1.144 43 residues pruned to eliminate duplicates Z: 21 16.921 1.887 0.390 0.660 0.900 0.550 CB 1.382 21 residues pruned to eliminate duplicates Z: 37 20.972 1.842 0.387 0.690 0.889 0.694 CB 1.293 37 residues pruned to eliminate duplicates Z: 81 31.395 1.861 0.556 0.636 0.938 0.600 CB 1.139 81 residues pruned to eliminate duplicates Z: 43 19.546 1.806 0.459 0.638 0.857 0.690 CB 1.174 43 residues pruned to eliminate duplicates Z: 20 16.222 1.879 0.380 0.741 0.842 0.684 CB 1.374 20 residues pruned to eliminate duplicates Z: 34 16.515 1.792 0.713 0.568 0.667 0.455 CB 1.315 34 residues pruned to eliminate duplicates Z: 30 18.353 1.803 0.577 0.654 0.828 0.552 CB 1.255 30 residues pruned to eliminate duplicates Z: 43 19.586 1.803 0.506 0.657 0.857 0.643 CB 1.122 43 residues pruned to eliminate duplicates Z: 22 18.608 1.827 0.563 0.764 0.905 0.714 CB 1.244 22 residues pruned to eliminate duplicates Z: 23 17.477 1.795 0.589 0.640 0.955 0.636 CB 1.201 23 residues pruned to eliminate duplicates Z: 52 21.818 1.751 0.467 0.602 0.882 0.667 CB 1.222 52 residues pruned to eliminate duplicates Z: 51 26.600 1.823 0.688 0.618 0.860 0.500 CB 1.272 51 residues pruned to eliminate duplicates Z: 35 22.899 1.852 0.560 0.737 0.912 0.735 CB 1.205 35 residues pruned to eliminate duplicates Z: 29 24.393 1.864 0.683 0.781 0.964 0.786 CB 1.189 29 residues pruned to eliminate duplicates Z: 37 19.698 1.810 0.478 0.648 0.861 0.778 CB 1.242 37 residues pruned to eliminate duplicates Z: 28 25.485 1.881 0.668 0.823 0.963 0.815 CB 1.228 28 residues pruned to eliminate duplicates Z: 15 10.895 1.678 0.429 0.624 1.000 0.643 CB 1.080 15 residues pruned to eliminate duplicates Z: 32 20.124 1.791 0.563 0.759 0.903 0.452 CB 1.135 32 residues pruned to eliminate duplicates Z: 18 12.859 1.803 0.500 0.603 0.882 0.765 CB 1.185 18 residues pruned to eliminate duplicates Z: 30 26.131 1.871 0.678 0.767 0.931 0.759 CB 1.310 28 residues pruned to eliminate duplicates Z: 11 12.029 1.779 0.408 0.866 1.000 0.800 CB 1.112 13 residues pruned to eliminate duplicates Z: 13 10.699 1.720 0.369 0.888 0.917 0.583 CB 1.030 13 residues pruned to eliminate duplicates Z: 40 22.258 1.759 0.600 0.677 0.897 0.692 CB 1.199 40 residues pruned to eliminate duplicates Z: 37 19.554 1.818 0.539 0.685 0.833 0.667 CB 1.179 37 residues pruned to eliminate duplicates Z: 22 16.604 1.779 0.505 0.699 0.905 0.667 CB 1.247 22 residues pruned to eliminate duplicates Z: 36 24.378 1.822 0.631 0.676 0.943 0.714 CB 1.251 36 residues pruned to eliminate duplicates Z: 11 13.396 1.824 0.536 0.835 1.000 0.900 CB 1.133 11 residues pruned to eliminate duplicates Z: 25 12.073 1.706 0.445 0.502 0.833 0.583 CB 1.197 25 residues pruned to eliminate duplicates Z: 26 12.132 1.689 0.409 0.530 0.840 0.680 CB 1.178 26 residues pruned to eliminate duplicates Z: 22 15.291 1.746 0.646 0.575 0.952 0.619 CB 1.134 22 residues pruned to eliminate duplicates Z: 36 22.216 1.854 0.655 0.655 0.886 0.800 CB 1.196 36 residues pruned to eliminate duplicates Z: 9 2.932 1.582 0.131 0.254 0.750 0.500 CB 1.024 9 residues pruned to eliminate duplicates Z: 7 2.552 1.498 0.269 0.505 0.667 0.667 CB 0.818 7 residues pruned to eliminate duplicates Z: 11 6.285 1.482 0.327 0.553 0.900 0.400 CB 1.067 11 residues pruned to eliminate duplicates Z: 14 9.641 1.624 0.447 0.671 1.000 0.538 CB 0.971 14 residues pruned to eliminate duplicates Z: 16 7.105 1.639 0.302 0.610 0.733 0.533 CB 1.056 16 residues pruned to eliminate duplicates Z: 16 8.832 1.569 0.493 0.613 0.867 0.533 CB 1.008 16 residues pruned to eliminate duplicates Z: 11 4.293 1.659 0.369 0.369 0.700 0.400 CB 0.983 11 residues pruned to eliminate duplicates Z: 21 6.690 1.662 0.147 0.463 0.850 0.400 CB 0.959 21 residues pruned to eliminate duplicates Z: 6 2.927 1.701 0.282 0.538 0.600 0.600 CB 0.964 6 residues pruned to eliminate duplicates Z: 21 14.792 1.741 0.552 0.753 0.950 0.650 CB 1.029 21 residues pruned to eliminate duplicates Z: 13 10.008 1.730 0.418 0.775 0.833 0.667 CB 1.108 13 residues pruned to eliminate duplicates Z: 19 16.094 1.764 0.602 0.823 0.833 0.611 CB 1.218 19 residues pruned to eliminate duplicates Z: 7 8.193 1.885 0.230 0.689 0.833 0.667 CA 1.456 7 residues pruned to eliminate duplicates Z: 12 11.080 1.672 0.478 0.639 0.909 0.545 CB 1.305 12 residues pruned to eliminate duplicates Z: 22 9.289 1.646 0.454 0.577 0.810 0.429 CB 0.971 22 residues pruned to eliminate duplicates Z: 47 34.006 1.951 0.561 0.788 0.957 0.761 CB 1.336 42 residues pruned to eliminate duplicates Z: 21 18.208 1.766 0.633 0.826 0.900 0.600 CB 1.183 21 residues pruned to eliminate duplicates Z: 18 14.385 1.711 0.665 0.735 1.000 0.765 CB 0.992 18 residues pruned to eliminate duplicates Z: 19 14.067 1.792 0.513 0.757 0.889 0.722 CB 1.094 19 residues pruned to eliminate duplicates Z: 18 14.421 1.750 0.547 0.745 0.941 0.706 CB 1.103 18 residues pruned to eliminate duplicates Z: 19 12.710 1.715 0.480 0.699 0.889 0.611 CB 1.107 19 residues pruned to eliminate duplicates Z: 51 29.052 1.923 0.408 0.742 0.940 0.720 CB 1.299 51 residues pruned to eliminate duplicates Z: 19 14.168 1.752 0.780 0.730 0.833 0.722 CB 1.044 19 residues pruned to eliminate duplicates Z: 18 13.530 1.766 0.323 0.723 1.000 0.765 CB 1.148 18 residues pruned to eliminate duplicates Z: 16 18.068 1.810 0.670 0.799 0.933 0.733 CB 1.273 16 residues pruned to eliminate duplicates Z: 51 29.988 1.903 0.427 0.757 0.940 0.740 CB 1.322 51 residues pruned to eliminate duplicates Z: 46 33.157 1.939 0.541 0.753 0.933 0.778 CB 1.414 46 residues pruned to eliminate duplicates Z: 41 28.334 1.953 0.451 0.737 0.925 0.700 CB 1.382 41 residues pruned to eliminate duplicates Z: 52 25.616 1.870 0.441 0.709 0.882 0.627 CB 1.248 52 residues pruned to eliminate duplicates Z: 11 10.479 2.058 -0.050 0.695 0.900 0.800 CB 1.575 11 residues pruned to eliminate duplicates Z: 23 13.710 1.848 0.392 0.582 0.818 0.636 CB 1.284 23 residues pruned to eliminate duplicates Z: 13 8.791 2.028 0.146 0.548 0.750 0.500 CB 1.388 13 residues pruned to eliminate duplicates Z: 11 9.094 1.943 0.165 0.511 0.900 0.800 CB 1.397 11 residues pruned to eliminate duplicates Z: 16 10.319 1.868 0.357 0.440 0.800 0.533 CB 1.398 16 residues pruned to eliminate duplicates Z: 48 33.300 1.918 0.780 0.730 0.936 0.766 CB 1.236 48 residues pruned to eliminate duplicates Z: 27 38.264 2.159 0.766 0.823 0.962 0.769 CB 1.547 27 residues pruned to eliminate duplicates Z: 52 33.340 1.938 0.742 0.752 0.882 0.627 CB 1.251 52 residues pruned to eliminate duplicates Z: 27 39.816 2.153 0.920 0.810 0.962 0.769 CB 1.500 27 residues pruned to eliminate duplicates Z: 44 36.119 1.995 0.904 0.772 0.860 0.744 CB 1.326 44 residues pruned to eliminate duplicates Z: 45 40.649 1.995 0.817 0.797 0.977 0.750 CB 1.334 45 residues pruned to eliminate duplicates Z: 26 44.469 2.162 0.957 0.883 1.000 0.600 CB 1.520 26 residues pruned to eliminate duplicates Z: 47 34.702 1.963 0.769 0.798 0.913 0.674 CB 1.244 47 residues pruned to eliminate duplicates Z: 28 38.745 2.091 0.833 0.835 0.963 0.852 CB 1.513 28 residues pruned to eliminate duplicates Z: 27 40.769 2.149 0.813 0.847 0.962 0.769 CB 1.585 27 residues pruned to eliminate duplicates Z: 26 42.456 2.128 0.911 0.840 1.000 0.560 CB 1.558 26 residues pruned to eliminate duplicates Z: 30 35.658 2.104 0.886 0.832 0.931 0.793 CB 1.346 30 residues pruned to eliminate duplicates Z: 27 44.070 2.152 0.978 0.858 0.962 0.808 CB 1.555 27 residues pruned to eliminate duplicates Z: 45 35.572 1.971 0.808 0.749 0.932 0.682 CB 1.293 45 residues pruned to eliminate duplicates Z: 26 40.129 2.153 0.794 0.854 1.000 0.760 CB 1.535 26 residues pruned to eliminate duplicates Z: 37 28.291 1.991 0.695 0.722 0.917 0.722 CB 1.248 37 residues pruned to eliminate duplicates Z: 46 35.574 1.991 0.689 0.783 0.933 0.711 CB 1.317 46 residues pruned to eliminate duplicates Z: 46 36.326 1.993 0.706 0.768 0.956 0.733 CB 1.315 46 residues pruned to eliminate duplicates Z: 43 26.986 1.898 0.669 0.670 0.881 0.619 CB 1.275 43 residues pruned to eliminate duplicates Z: 42 22.997 1.853 0.780 0.656 0.854 0.341 CB 1.103 42 residues pruned to eliminate duplicates Z: 9 4.788 1.510 0.546 0.583 0.750 0.500 CB 0.893 9 residues pruned to eliminate duplicates Z: 8 6.164 1.608 0.396 0.655 0.857 0.571 CB 1.049 8 residues pruned to eliminate duplicates Z: 11 4.942 1.434 0.220 0.476 0.900 0.600 CB 1.017 11 residues pruned to eliminate duplicates Z: 15 5.472 1.545 0.159 0.517 0.714 0.643 CB 1.124 15 residues pruned to eliminate duplicates Z: 25 25.515 1.914 0.455 0.870 0.958 0.792 CB 1.424 25 residues pruned to eliminate duplicates Z: 6 5.649 1.640 0.486 0.826 0.800 0.800 CB 0.977 6 residues pruned to eliminate duplicates Z: 31 22.421 1.808 0.401 0.741 0.900 0.767 CB 1.447 31 residues pruned to eliminate duplicates Z: 26 25.466 1.917 0.515 0.857 0.960 0.840 CB 1.346 26 residues pruned to eliminate duplicates Z: 25 29.049 1.919 0.540 0.877 1.000 0.833 CB 1.457 25 residues pruned to eliminate duplicates Z: 25 27.095 1.952 0.450 0.830 1.000 0.792 CB 1.469 25 residues pruned to eliminate duplicates Z: 20 24.028 1.994 0.509 0.854 0.947 0.684 CB 1.428 20 residues pruned to eliminate duplicates Z: 19 30.313 2.022 0.622 0.872 1.000 0.778 CB 1.587 19 residues pruned to eliminate duplicates Z: 26 26.249 1.890 0.555 0.879 0.920 0.760 CB 1.408 26 residues pruned to eliminate duplicates Z: 20 25.128 1.946 0.502 0.832 0.947 0.842 N 1.563 20 residues pruned to eliminate duplicates Z: 26 28.715 1.884 0.669 0.872 0.960 0.840 CB 1.386 26 residues pruned to eliminate duplicates Z: 19 32.519 2.054 0.713 0.864 1.000 0.778 CB 1.597 19 residues pruned to eliminate duplicates Z: 26 28.474 1.911 0.651 0.857 0.960 0.760 CB 1.385 26 residues pruned to eliminate duplicates Z: 20 31.938 1.964 0.745 0.845 1.000 0.789 CB 1.589 20 residues pruned to eliminate duplicates Z: 25 27.707 1.915 0.587 0.896 0.958 0.792 CB 1.391 25 residues pruned to eliminate duplicates Z: 24 24.195 1.864 0.623 0.746 0.957 0.826 CB 1.399 24 residues pruned to eliminate duplicates Z: 25 28.720 1.898 0.682 0.882 0.958 0.708 CB 1.386 25 residues pruned to eliminate duplicates Z: 20 27.468 1.972 0.605 0.881 1.000 0.842 CB 1.442 20 residues pruned to eliminate duplicates Z: 19 30.434 2.033 0.664 0.879 1.000 0.667 CB 1.537 19 residues pruned to eliminate duplicates Z: 26 29.522 1.916 0.680 0.866 0.960 0.880 CB 1.399 26 residues pruned to eliminate duplicates Z: 18 32.015 2.087 0.717 0.934 1.000 0.882 CB 1.511 18 residues pruned to eliminate duplicates Z: 18 32.295 2.044 0.827 0.936 1.000 0.471 CB 1.461 18 residues pruned to eliminate duplicates 373 residues left after pruning, divided into chains as follows: A: 158 B: 29 C: 20 D: 141 E: 25 CC for partial structure against native data = 47.43 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.459, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.523, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.626, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.638, Connect. = 0.751 for dens.mod. cycle 4 TimeTaking 104.28