++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:35:15 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: ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.ins Phases from ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.phi Native data from ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.hkl Listing output to ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.lst Phases output to ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.phs Poly-Ala trace output to ./1z82-2.0-parrot-noncs/1z82-2.0-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 40539 Reflections read from file ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.phi 40539 Reflections read from file ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.hkl 40539 Unique data, highest resolution = 2.000 Angstroms Anisotropic scaling: intensities multiplied by 0.002292h^2 +0.000126k^2 -0.000692l^2 +0.000000kl +0.001363hl +0.000000hk 142 Reflections with d > 2.200 and 0 in range 2.200 > d > 2.000 added Density sharpening factor set to 0.75 Fourier grid = 128 x 128 x 57 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.694 = 0.300, Contrast = 0.324, Connect. = 0.710 for dens.mod. cycle 1 = 0.300, Contrast = 0.394, Connect. = 0.715 for dens.mod. cycle 2 = 0.300, Contrast = 0.473, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.498, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.512, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.523, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.530, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.536, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.541, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.544, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2852 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 675 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 31.416 2.092 0.589 0.921 0.917 0.875 CB 1.482 B: 19 20.172 2.035 0.217 0.924 1.000 0.889 CB 1.348 C: 18 25.144 2.031 0.586 0.864 1.000 0.529 CB 1.388 18 residues pruned to eliminate duplicates D: 24 30.397 1.929 0.823 0.935 1.000 0.739 CB 1.256 E: 24 21.392 1.910 0.321 0.901 0.957 0.783 CA 1.319 19 residues pruned to eliminate duplicates F: 22 32.414 1.996 0.950 0.916 0.952 0.714 CB 1.348 24 residues pruned to eliminate duplicates G: 26 35.731 2.065 0.748 0.920 1.000 0.720 CA 1.395 25 residues pruned to eliminate duplicates H: 8 14.049 1.973 0.576 0.837 1.000 0.571 CB 1.277 I: 14 18.845 1.781 0.569 0.875 1.000 0.846 CA 1.360 J: 12 18.909 1.993 0.793 0.868 0.909 0.727 CB 1.283 K: 21 18.891 1.999 0.717 0.458 0.900 0.550 CA 1.428 8 residues pruned to eliminate duplicates L: 25 32.862 2.052 0.823 0.915 0.917 0.792 CB 1.382 25 residues pruned to eliminate duplicates M: 26 32.006 2.062 0.796 0.903 0.960 0.680 CB 1.283 26 residues pruned to eliminate duplicates N: 20 25.167 1.944 0.841 0.898 0.895 0.526 CB 1.290 20 residues pruned to eliminate duplicates O: 17 22.190 1.894 0.773 0.895 1.000 0.875 CB 1.184 14 residues pruned to eliminate duplicates P: 24 22.601 1.993 0.623 0.916 0.957 0.478 CB 1.076 Q: 17 27.751 2.131 0.639 0.864 1.000 0.688 CB 1.456 17 residues pruned to eliminate duplicates R: 10 18.789 2.051 0.660 0.875 1.000 0.778 CB 1.338 10 residues pruned to eliminate duplicates S: 19 33.295 2.091 0.979 0.939 0.944 0.556 CA 1.396 19 residues pruned to eliminate duplicates T: 22 31.216 1.987 0.939 0.918 0.952 0.667 CB 1.309 23 residues pruned to eliminate duplicates U: 13 21.314 2.002 0.480 0.916 1.000 1.000 CA 1.466 12 residues pruned to eliminate duplicates V: 9 13.348 1.880 0.577 0.803 1.000 1.000 CB 1.221 9 residues pruned to eliminate duplicates W: 25 28.011 1.983 0.659 0.930 0.958 0.708 CA 1.268 24 residues pruned to eliminate duplicates X: 17 14.174 1.775 0.178 0.862 1.000 0.875 CB 1.245 16 residues pruned to eliminate duplicates Y: 18 15.120 1.784 0.396 0.879 1.000 0.647 CB 1.069 Z: 22 18.208 1.920 0.188 0.936 1.000 0.952 CB 1.213 22 residues pruned to eliminate duplicates Z: 16 22.990 2.062 0.509 0.931 1.000 0.867 CB 1.333 16 residues pruned to eliminate duplicates Z: 27 32.207 1.996 0.729 0.900 1.000 0.500 CB 1.307 27 residues pruned to eliminate duplicates Z: 11 17.896 1.949 1.268 0.784 1.000 0.600 CB 0.997 Z: 12 21.380 2.067 0.501 0.908 1.000 0.909 CA 1.476 12 residues pruned to eliminate duplicates Z: 22 24.833 1.980 0.468 0.914 1.000 0.714 CA 1.319 22 residues pruned to eliminate duplicates Z: 12 20.921 2.050 0.488 0.878 1.000 0.909 CA 1.501 12 residues pruned to eliminate duplicates Z: 11 24.508 2.107 0.752 0.900 1.000 0.800 CA 1.499 11 residues pruned to eliminate duplicates Z: 23 24.695 1.911 0.586 0.897 1.000 0.864 CA 1.243 23 residues pruned to eliminate duplicates Z: 23 29.084 1.918 0.781 0.930 1.000 0.909 CB 1.269 23 residues pruned to eliminate duplicates Z: 16 12.201 1.746 0.158 0.862 1.000 0.533 CB 1.144 16 residues pruned to eliminate duplicates Z: 13 22.580 1.941 1.105 0.895 0.917 0.417 CB 1.248 13 residues pruned to eliminate duplicates Z: 25 28.756 2.016 0.702 0.926 0.958 0.458 CB 1.252 25 residues pruned to eliminate duplicates Z: 20 25.606 1.998 0.779 0.833 0.947 0.526 CB 1.309 20 residues pruned to eliminate duplicates Z: 6 5.845 1.869 -0.199 0.821 1.000 0.600 CB 1.322 Z: 9 7.691 1.981 0.650 0.876 0.875 0.750 CB 0.691 8 residues pruned to eliminate duplicates Z: 10 21.946 2.013 1.370 0.913 0.889 0.778 CB 1.221 Z: 17 22.493 1.820 0.933 0.845 1.000 0.750 CB 1.188 17 residues pruned to eliminate duplicates Z: 21 19.919 2.002 0.392 0.936 0.950 0.900 CA 1.172 21 residues pruned to eliminate duplicates Z: 11 26.190 2.087 0.768 0.911 1.000 0.800 CB 1.591 11 residues pruned to eliminate duplicates Z: 14 14.746 1.784 0.815 0.872 0.846 0.846 CB 1.088 Z: 26 31.097 2.091 0.649 0.889 1.000 0.760 CB 1.299 26 residues pruned to eliminate duplicates Z: 11 18.928 2.015 0.909 0.776 1.000 0.500 CB 1.220 12 residues pruned to eliminate duplicates Z: 24 29.013 2.020 0.643 0.942 1.000 0.783 CB 1.263 24 residues pruned to eliminate duplicates Z: 25 13.480 1.622 0.360 0.545 0.958 0.750 CA 1.246 Z: 12 17.101 1.930 1.158 0.900 0.818 0.818 CB 1.080 Z: 26 33.861 2.029 0.822 0.938 1.000 0.600 CB 1.274 27 residues pruned to eliminate duplicates Z: 10 23.101 2.062 1.270 0.861 1.000 0.889 CB 1.209 11 residues pruned to eliminate duplicates Z: 17 17.859 1.947 0.397 0.923 1.000 0.875 CA 1.154 16 residues pruned to eliminate duplicates Z: 11 12.706 1.780 0.615 0.840 0.900 0.400 CB 1.159 11 residues pruned to eliminate duplicates Z: 37 22.461 1.872 0.463 0.736 0.889 0.694 CB 1.245 36 residues pruned to eliminate duplicates Z: 26 22.933 1.903 0.945 0.637 0.920 0.640 CB 1.184 10 residues pruned to eliminate duplicates Z: 13 18.931 1.930 0.804 0.884 0.917 0.750 CA 1.237 Z: 10 16.111 1.700 1.138 0.844 1.000 0.778 CB 1.100 Z: 12 25.316 2.034 0.850 0.910 1.000 0.818 CB 1.439 13 residues pruned to eliminate duplicates Z: 16 22.421 1.985 0.762 0.897 0.867 0.600 CB 1.367 16 residues pruned to eliminate duplicates Z: 22 12.003 1.746 0.432 0.542 0.857 0.667 CB 1.173 22 residues pruned to eliminate duplicates Z: 14 21.387 1.812 0.706 0.934 1.000 1.000 CB 1.338 14 residues pruned to eliminate duplicates Z: 21 20.185 2.017 0.838 0.472 0.900 0.450 CA 1.391 21 residues pruned to eliminate duplicates Z: 23 32.607 1.992 1.020 0.913 0.955 0.682 CB 1.281 23 residues pruned to eliminate duplicates Z: 18 19.525 1.786 0.476 0.886 1.000 0.882 CA 1.296 18 residues pruned to eliminate duplicates Z: 7 14.765 2.170 0.605 0.832 0.833 0.833 CA 1.559 7 residues pruned to eliminate duplicates Z: 24 27.829 1.919 0.704 0.888 0.957 0.783 CB 1.337 22 residues pruned to eliminate duplicates Z: 10 12.513 1.825 0.236 0.817 1.000 0.667 CB 1.404 Z: 12 20.529 2.004 0.558 0.927 1.000 0.909 CA 1.390 12 residues pruned to eliminate duplicates Z: 22 34.479 2.002 1.087 0.942 1.000 0.762 CB 1.248 24 residues pruned to eliminate duplicates Z: 12 26.903 2.018 1.299 0.917 1.000 0.909 CB 1.234 10 residues pruned to eliminate duplicates Z: 11 13.105 1.832 0.577 0.522 1.000 0.700 CA 1.403 11 residues pruned to eliminate duplicates Z: 22 25.795 1.920 0.618 0.938 1.000 0.857 CB 1.260 21 residues pruned to eliminate duplicates Z: 16 14.905 1.843 0.415 0.890 0.933 0.667 CB 1.137 16 residues pruned to eliminate duplicates Z: 8 13.129 1.701 0.662 0.733 1.000 0.714 CA 1.424 Z: 7 7.098 1.882 0.225 0.836 1.000 0.500 CB 0.941 Z: 26 26.800 1.942 0.498 0.915 1.000 0.840 CA 1.303 26 residues pruned to eliminate duplicates Z: 21 24.094 1.936 0.888 0.570 1.000 0.550 CA 1.379 21 residues pruned to eliminate duplicates Z: 14 28.982 2.097 0.870 0.916 1.000 0.308 CB 1.448 14 residues pruned to eliminate duplicates Z: 11 7.082 1.583 0.380 0.761 0.700 0.500 CB 1.162 Z: 12 19.661 1.940 0.778 0.875 1.000 0.818 CA 1.250 11 residues pruned to eliminate duplicates Z: 19 14.136 1.600 0.505 0.690 0.944 0.778 CA 1.231 Z: 18 19.937 2.039 0.583 0.882 0.941 0.706 CB 1.152 18 residues pruned to eliminate duplicates Z: 12 27.638 1.993 0.968 0.908 1.000 0.909 CB 1.509 12 residues pruned to eliminate duplicates Z: 12 9.218 1.642 0.645 0.516 1.000 0.636 CB 1.012 Z: 14 21.811 1.830 0.998 0.937 1.000 0.923 CA 1.152 14 residues pruned to eliminate duplicates Z: 25 21.393 1.931 0.401 0.910 0.958 0.792 CA 1.194 25 residues pruned to eliminate duplicates Z: 15 28.922 1.973 0.945 0.892 1.000 0.714 CB 1.447 13 residues pruned to eliminate duplicates Z: 13 21.480 1.918 1.065 0.884 1.000 0.750 CA 1.131 13 residues pruned to eliminate duplicates Z: 19 33.455 2.033 0.978 0.934 1.000 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 26 28.799 2.045 0.609 0.903 1.000 0.640 CB 1.248 26 residues pruned to eliminate duplicates Z: 10 12.345 1.932 0.216 0.933 1.000 1.000 CB 1.223 Z: 7 9.229 1.829 0.850 0.387 0.833 0.667 N 1.507 Z: 18 17.559 1.802 0.620 0.856 0.941 0.706 CB 1.143 18 residues pruned to eliminate duplicates Z: 23 30.937 1.928 0.896 0.874 0.955 0.591 CB 1.376 23 residues pruned to eliminate duplicates Z: 10 16.202 1.932 0.897 0.932 1.000 0.889 CA 1.030 Z: 14 19.752 1.929 0.752 0.921 1.000 0.923 CA 1.140 13 residues pruned to eliminate duplicates Z: 10 11.184 1.773 0.058 0.917 1.000 0.889 CB 1.402 Z: 26 11.284 1.565 0.765 0.534 0.840 0.640 CB 0.941 11 residues pruned to eliminate duplicates Z: 26 23.970 1.950 0.398 0.909 0.960 0.680 CA 1.300 26 residues pruned to eliminate duplicates Z: 11 11.370 1.883 0.189 0.927 1.000 0.900 CB 1.125 10 residues pruned to eliminate duplicates Z: 26 33.832 2.066 0.652 0.911 1.000 0.760 CB 1.405 26 residues pruned to eliminate duplicates Z: 17 18.954 1.784 0.759 0.869 1.000 0.688 CB 1.103 18 residues pruned to eliminate duplicates Z: 11 15.238 1.869 0.889 0.913 1.000 0.700 CA 0.966 11 residues pruned to eliminate duplicates Z: 12 24.276 1.938 1.104 0.914 1.000 0.909 CB 1.269 12 residues pruned to eliminate duplicates Z: 8 7.472 1.574 0.460 0.890 1.000 0.857 CB 0.884 Z: 23 23.566 1.983 0.446 0.900 0.955 0.818 CA 1.311 23 residues pruned to eliminate duplicates Z: 14 15.968 1.947 0.543 0.841 0.923 0.769 CB 1.191 14 residues pruned to eliminate duplicates Z: 9 11.551 1.625 0.430 0.877 1.000 0.625 CA 1.276 11 residues pruned to eliminate duplicates Z: 12 12.946 1.737 1.062 0.779 0.909 0.545 CA 0.937 12 residues pruned to eliminate duplicates Z: 8 11.125 2.008 0.546 0.702 0.857 0.429 CA 1.315 8 residues pruned to eliminate duplicates Z: 10 13.655 1.826 0.456 0.918 1.000 1.000 CA 1.207 9 residues pruned to eliminate duplicates Z: 10 7.722 1.601 0.597 0.421 1.000 0.556 CB 1.093 Z: 11 19.173 1.992 1.007 0.867 1.000 0.700 CB 1.110 11 residues pruned to eliminate duplicates Z: 11 19.810 1.833 1.155 0.867 0.900 0.600 CA 1.289 9 residues pruned to eliminate duplicates Z: 16 16.998 1.809 0.568 0.892 1.000 0.733 CB 1.112 16 residues pruned to eliminate duplicates Z: 6 10.648 1.860 0.568 0.638 1.000 0.800 CB 1.434 8 residues pruned to eliminate duplicates Z: 10 12.567 1.785 0.351 0.826 1.000 0.667 CB 1.311 10 residues pruned to eliminate duplicates Z: 10 9.089 1.730 0.086 0.834 1.000 0.333 CB 1.209 10 residues pruned to eliminate duplicates Z: 26 26.949 1.959 0.600 0.918 0.960 0.720 CB 1.263 26 residues pruned to eliminate duplicates Z: 16 10.904 1.810 0.281 0.839 0.933 0.600 CB 0.971 15 residues pruned to eliminate duplicates Z: 12 28.836 2.066 0.881 0.936 1.000 1.000 CA 1.558 12 residues pruned to eliminate duplicates Z: 15 22.732 1.834 0.714 0.874 1.000 0.857 CB 1.407 16 residues pruned to eliminate duplicates Z: 12 13.340 1.880 0.584 0.726 0.909 0.909 CB 1.211 12 residues pruned to eliminate duplicates Z: 9 12.097 1.737 0.617 0.908 1.000 0.875 CB 1.081 Z: 12 16.021 1.899 0.652 0.885 1.000 0.727 CA 1.112 12 residues pruned to eliminate duplicates Z: 12 20.980 1.933 0.885 0.895 1.000 0.909 CA 1.244 12 residues pruned to eliminate duplicates Z: 10 12.356 1.696 0.634 0.857 0.778 0.556 CB 1.408 10 residues pruned to eliminate duplicates Z: 36 28.439 1.869 0.712 0.739 0.886 0.657 CB 1.370 36 residues pruned to eliminate duplicates Z: 9 8.652 1.560 0.583 0.845 0.875 0.750 CB 1.053 Z: 20 24.689 2.020 0.544 0.933 0.947 0.684 CB 1.337 20 residues pruned to eliminate duplicates Z: 14 11.931 1.795 0.646 0.858 0.923 0.769 CA 0.893 14 residues pruned to eliminate duplicates Z: 10 15.131 1.647 0.712 0.864 1.000 0.778 CA 1.311 10 residues pruned to eliminate duplicates Z: 25 24.555 1.952 0.584 0.921 0.958 0.792 CA 1.190 25 residues pruned to eliminate duplicates Z: 13 18.066 1.877 0.754 0.870 0.917 0.500 CB 1.262 13 residues pruned to eliminate duplicates Z: 10 15.860 1.700 0.985 0.868 1.000 0.667 CB 1.145 10 residues pruned to eliminate duplicates Z: 17 19.347 1.827 0.713 0.839 0.938 0.688 CB 1.232 17 residues pruned to eliminate duplicates Z: 10 16.070 2.010 0.515 0.909 1.000 0.889 CA 1.248 10 residues pruned to eliminate duplicates Z: 10 19.176 1.711 1.141 0.883 1.000 0.889 CB 1.262 11 residues pruned to eliminate duplicates Z: 9 13.338 1.654 0.591 0.843 1.000 0.750 CB 1.334 9 residues pruned to eliminate duplicates Z: 16 16.524 1.736 0.620 0.667 0.933 0.867 CA 1.393 18 residues pruned to eliminate duplicates Z: 17 12.073 1.766 0.145 0.911 0.938 0.875 CB 1.128 17 residues pruned to eliminate duplicates Z: 17 19.160 1.795 0.690 0.839 0.938 0.750 CB 1.258 17 residues pruned to eliminate duplicates Z: 29 11.779 1.720 0.434 0.515 0.857 0.286 CB 1.038 25 residues pruned to eliminate duplicates Z: 12 21.518 1.888 1.055 0.883 1.000 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 9 6.194 1.749 0.383 0.354 0.875 0.625 CA 1.212 Z: 19 25.599 2.095 0.780 0.590 1.000 0.611 CA 1.484 21 residues pruned to eliminate duplicates Z: 26 33.679 2.040 0.593 0.920 1.000 0.920 CB 1.460 25 residues pruned to eliminate duplicates Z: 7 14.822 2.049 0.806 0.876 1.000 1.000 CA 1.189 7 residues pruned to eliminate duplicates Z: 18 21.643 1.843 0.751 0.880 1.000 0.882 CB 1.179 18 residues pruned to eliminate duplicates Z: 11 13.035 1.676 0.555 0.855 0.900 0.900 CB 1.297 10 residues pruned to eliminate duplicates Z: 22 30.628 1.987 0.842 0.928 1.000 0.857 CB 1.279 22 residues pruned to eliminate duplicates Z: 25 27.622 2.092 0.679 0.913 0.833 0.583 CB 1.364 25 residues pruned to eliminate duplicates Z: 26 21.419 1.817 0.741 0.762 0.920 0.480 CB 1.167 24 residues pruned to eliminate duplicates Z: 22 31.929 1.962 1.013 0.909 1.000 0.667 CB 1.253 22 residues pruned to eliminate duplicates Z: 25 28.320 2.006 0.542 0.897 1.000 0.875 CB 1.339 25 residues pruned to eliminate duplicates Z: 15 15.529 1.819 0.658 0.875 1.000 0.643 CA 1.000 15 residues pruned to eliminate duplicates Z: 24 15.558 1.669 0.677 0.572 1.000 0.783 CB 1.081 27 residues pruned to eliminate duplicates Z: 9 10.013 1.623 0.344 0.896 1.000 1.000 CA 1.162 Z: 10 15.273 1.730 0.582 0.903 1.000 0.889 CB 1.326 10 residues pruned to eliminate duplicates Z: 24 29.016 1.934 0.904 0.891 0.913 0.652 CB 1.294 24 residues pruned to eliminate duplicates Z: 12 15.716 1.958 0.501 0.920 1.000 0.909 CA 1.135 12 residues pruned to eliminate duplicates Z: 11 13.665 1.785 0.364 0.821 1.000 1.000 CA 1.343 11 residues pruned to eliminate duplicates Z: 9 9.655 1.710 0.888 0.730 0.875 0.500 CB 0.983 8 residues pruned to eliminate duplicates Z: 10 8.798 1.640 0.339 0.848 0.889 0.667 CB 1.115 8 residues pruned to eliminate duplicates Z: 6 10.995 1.834 0.613 0.634 1.000 0.600 CA 1.465 8 residues pruned to eliminate duplicates Z: 10 7.211 1.677 0.518 0.452 0.889 0.778 CA 1.115 9 residues pruned to eliminate duplicates Z: 13 20.586 1.909 1.010 0.908 1.000 0.500 CB 1.100 12 residues pruned to eliminate duplicates Z: 8 5.257 1.428 0.606 0.438 1.000 0.571 N 0.924 Z: 9 12.864 1.756 0.573 0.864 1.000 0.750 CA 1.208 9 residues pruned to eliminate duplicates Z: 9 15.003 1.942 0.990 0.789 0.875 0.500 CB 1.217 9 residues pruned to eliminate duplicates Z: 23 23.386 1.950 0.520 0.936 1.000 0.955 CB 1.172 22 residues pruned to eliminate duplicates Z: 15 13.764 1.670 0.827 0.827 0.929 0.357 CB 0.978 15 residues pruned to eliminate duplicates Z: 12 22.641 2.014 0.984 0.927 1.000 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 6 6.035 1.679 0.291 0.852 1.000 0.600 CB 0.921 6 residues pruned to eliminate duplicates Z: 10 12.965 1.646 0.561 0.913 1.000 0.778 CB 1.191 9 residues pruned to eliminate duplicates Z: 26 32.028 2.050 0.791 0.883 1.000 0.480 CB 1.262 26 residues pruned to eliminate duplicates Z: 25 15.343 1.801 0.540 0.559 0.875 0.500 CA 1.219 7 residues pruned to eliminate duplicates Z: 11 8.823 1.642 0.500 0.820 0.700 0.200 CB 1.226 10 residues pruned to eliminate duplicates Z: 13 23.547 1.956 0.939 0.925 1.000 0.833 CA 1.258 13 residues pruned to eliminate duplicates Z: 11 10.958 1.759 0.305 0.757 0.900 0.800 CB 1.334 11 residues pruned to eliminate duplicates Z: 14 20.722 1.844 1.066 0.911 0.846 0.692 CB 1.263 14 residues pruned to eliminate duplicates Z: 10 9.375 1.728 0.027 0.925 1.000 1.000 CB 1.235 10 residues pruned to eliminate duplicates Z: 9 10.903 1.787 0.153 0.828 1.000 0.875 CB 1.408 9 residues pruned to eliminate duplicates Z: 12 21.077 1.905 0.628 0.909 1.000 0.818 CB 1.454 12 residues pruned to eliminate duplicates Z: 14 20.293 1.812 0.748 0.881 1.000 0.923 CA 1.287 14 residues pruned to eliminate duplicates Z: 23 23.552 1.955 0.715 0.503 1.000 0.545 CA 1.493 25 residues pruned to eliminate duplicates Z: 14 8.012 1.568 0.497 0.333 0.923 0.462 CB 1.231 14 residues pruned to eliminate duplicates Z: 10 10.036 1.930 0.772 0.479 0.778 0.667 CB 1.284 5 residues pruned to eliminate duplicates Z: 9 9.878 1.677 0.183 0.863 1.000 0.875 CA 1.292 9 residues pruned to eliminate duplicates Z: 13 8.548 1.528 0.584 0.345 0.917 0.333 CB 1.317 44 residues pruned to eliminate duplicates Z: 22 23.396 1.954 0.410 0.923 1.000 1.000 CB 1.302 22 residues pruned to eliminate duplicates Z: 7 11.002 1.667 0.769 0.811 1.000 0.833 C 1.161 7 residues pruned to eliminate duplicates Z: 7 16.930 1.915 1.194 0.853 1.000 0.833 CB 1.215 7 residues pruned to eliminate duplicates Z: 38 20.550 1.692 0.626 0.601 0.973 0.568 CB 1.146 39 residues pruned to eliminate duplicates Z: 10 13.768 1.729 0.444 0.900 1.000 1.000 CB 1.313 10 residues pruned to eliminate duplicates Z: 12 16.699 1.832 0.610 0.817 1.000 0.636 CB 1.296 12 residues pruned to eliminate duplicates Z: 9 16.038 1.830 0.781 0.926 1.000 1.000 CB 1.220 9 residues pruned to eliminate duplicates Z: 9 10.691 1.826 0.411 0.679 0.875 0.500 CA 1.423 Z: 10 11.919 1.836 1.164 0.693 0.889 0.444 CB 0.943 10 residues pruned to eliminate duplicates Z: 26 13.668 1.763 0.582 0.573 0.760 0.480 CB 1.202 26 residues pruned to eliminate duplicates Z: 50 28.785 1.940 0.698 0.636 0.837 0.490 CB 1.314 50 residues pruned to eliminate duplicates Z: 10 12.328 1.640 0.548 0.808 1.000 0.889 CB 1.238 10 residues pruned to eliminate duplicates Z: 26 24.724 1.827 0.889 0.780 1.000 0.720 CB 1.120 26 residues pruned to eliminate duplicates Z: 14 18.598 1.905 0.705 0.871 1.000 0.692 CB 1.158 14 residues pruned to eliminate duplicates Z: 17 28.924 2.133 0.912 0.921 0.875 0.250 CB 1.426 17 residues pruned to eliminate duplicates Z: 14 19.301 1.897 0.906 0.894 0.923 0.923 CA 1.151 13 residues pruned to eliminate duplicates Z: 9 11.224 1.724 0.390 0.827 1.000 0.750 CB 1.248 9 residues pruned to eliminate duplicates Z: 6 4.306 1.616 0.805 0.427 0.600 0.600 CB 1.188 Z: 16 13.584 1.739 0.788 0.852 0.933 0.533 CB 0.894 16 residues pruned to eliminate duplicates Z: 14 22.782 1.851 0.835 0.893 1.000 0.769 CB 1.336 14 residues pruned to eliminate duplicates Z: 9 10.025 1.525 0.609 0.880 1.000 0.500 CB 1.046 9 residues pruned to eliminate duplicates Z: 10 16.649 1.841 0.747 0.921 1.000 0.889 CB 1.214 9 residues pruned to eliminate duplicates Z: 11 16.731 1.789 0.929 0.815 1.000 0.700 CB 1.166 9 residues pruned to eliminate duplicates Z: 13 19.806 1.920 0.689 0.917 1.000 0.750 CA 1.244 13 residues pruned to eliminate duplicates Z: 13 26.064 2.003 1.174 0.907 1.000 0.750 CA 1.227 14 residues pruned to eliminate duplicates Z: 13 17.261 1.910 0.729 0.875 1.000 0.833 CA 1.097 13 residues pruned to eliminate duplicates Z: 18 21.800 2.005 0.637 0.856 0.941 0.824 CB 1.262 18 residues pruned to eliminate duplicates Z: 10 20.403 1.884 0.909 0.923 1.000 0.667 CB 1.328 10 residues pruned to eliminate duplicates Z: 8 9.836 1.784 0.726 0.781 0.857 0.714 CB 1.100 8 residues pruned to eliminate duplicates Z: 25 28.949 2.040 0.549 0.905 1.000 0.792 CA 1.331 25 residues pruned to eliminate duplicates Z: 6 3.481 1.555 0.291 0.759 0.600 0.400 CB 1.027 6 residues pruned to eliminate duplicates Z: 8 3.526 1.706 0.174 0.214 0.857 0.429 CA 1.087 Z: 14 20.442 1.788 0.997 0.913 1.000 0.769 CB 1.124 14 residues pruned to eliminate duplicates Z: 11 9.200 1.684 0.176 0.872 0.900 0.700 CB 1.189 11 residues pruned to eliminate duplicates Z: 43 27.725 1.878 0.689 0.717 0.929 0.667 CB 1.193 42 residues pruned to eliminate duplicates Z: 6 7.890 1.883 0.511 0.788 1.000 0.600 CB 0.962 6 residues pruned to eliminate duplicates Z: 12 20.393 1.880 0.909 0.915 1.000 0.818 CB 1.211 12 residues pruned to eliminate duplicates Z: 8 4.173 1.608 0.164 0.421 0.857 0.429 CA 1.068 8 residues pruned to eliminate duplicates Z: 16 14.718 1.729 0.458 0.874 1.000 0.667 CB 1.098 16 residues pruned to eliminate duplicates Z: 6 3.794 1.718 1.025 0.291 0.800 0.400 CA 0.771 6 residues pruned to eliminate duplicates Z: 26 33.394 2.079 0.730 0.904 0.920 0.640 CB 1.438 26 residues pruned to eliminate duplicates Z: 11 12.862 1.778 0.332 0.862 1.000 0.900 CA 1.261 11 residues pruned to eliminate duplicates Z: 26 27.943 1.967 0.538 0.894 1.000 0.960 CA 1.325 26 residues pruned to eliminate duplicates Z: 7 7.885 1.885 0.648 0.889 0.833 0.667 CB 0.896 7 residues pruned to eliminate duplicates Z: 10 13.799 1.764 0.426 0.814 1.000 0.889 CB 1.391 11 residues pruned to eliminate duplicates Z: 11 20.170 2.021 0.584 0.871 1.000 0.600 CA 1.453 11 residues pruned to eliminate duplicates Z: 13 21.308 1.948 0.884 0.896 0.917 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 8 5.569 1.590 0.547 0.893 1.000 1.000 CB 0.614 Z: 6 3.419 1.421 0.584 0.299 0.800 0.600 CB 1.063 Z: 10 22.342 1.915 1.267 0.915 0.889 0.333 CB 1.364 10 residues pruned to eliminate duplicates Z: 68 38.056 1.943 0.710 0.711 0.896 0.448 CB 1.291 69 residues pruned to eliminate duplicates Z: 10 14.355 1.852 0.791 0.823 0.889 0.444 CB 1.226 10 residues pruned to eliminate duplicates Z: 12 14.452 1.885 0.588 0.910 1.000 0.909 CB 1.033 12 residues pruned to eliminate duplicates Z: 28 18.856 1.788 0.476 0.747 0.926 0.778 CA 1.190 28 residues pruned to eliminate duplicates Z: 11 8.939 1.917 0.407 0.333 0.900 0.800 CB 1.398 6 residues pruned to eliminate duplicates Z: 18 9.821 1.697 0.601 0.496 0.824 0.471 CB 1.069 18 residues pruned to eliminate duplicates Z: 12 23.778 1.934 0.957 0.899 0.909 0.909 CB 1.489 12 residues pruned to eliminate duplicates Z: 10 15.937 1.829 0.618 0.779 1.000 0.667 CB 1.403 10 residues pruned to eliminate duplicates Z: 14 19.263 1.924 0.818 0.878 0.923 0.769 CA 1.201 14 residues pruned to eliminate duplicates Z: 17 17.532 1.838 0.814 0.844 0.938 0.625 CB 1.043 17 residues pruned to eliminate duplicates Z: 9 12.050 1.866 0.623 0.763 0.875 0.875 CB 1.272 12 residues pruned to eliminate duplicates Z: 15 15.511 1.801 0.443 0.855 0.929 0.786 CB 1.267 15 residues pruned to eliminate duplicates Z: 13 17.096 1.822 0.560 0.844 1.000 0.333 CB 1.292 13 residues pruned to eliminate duplicates Z: 12 16.349 1.980 0.599 0.735 1.000 0.636 CB 1.261 12 residues pruned to eliminate duplicates Z: 22 24.004 2.061 0.766 0.683 0.952 0.857 CB 1.278 22 residues pruned to eliminate duplicates Z: 10 17.725 1.822 0.751 0.904 1.000 0.778 CA 1.320 10 residues pruned to eliminate duplicates Z: 17 17.936 1.826 0.686 0.825 0.938 0.750 CB 1.173 17 residues pruned to eliminate duplicates Z: 26 32.411 2.043 0.802 0.916 0.960 0.640 CB 1.295 26 residues pruned to eliminate duplicates Z: 19 15.899 1.910 0.689 0.891 0.722 0.389 CB 1.157 19 residues pruned to eliminate duplicates Z: 6 2.215 1.368 0.062 0.440 0.800 0.400 O 0.907 Z: 10 20.782 2.034 1.018 0.911 1.000 0.778 CB 1.196 10 residues pruned to eliminate duplicates Z: 31 21.908 1.859 0.565 0.677 0.933 0.500 CB 1.252 29 residues pruned to eliminate duplicates Z: 10 9.342 1.718 0.233 0.565 1.000 0.556 CB 1.380 Z: 9 8.726 1.832 0.671 0.418 0.875 0.625 CB 1.255 6 residues pruned to eliminate duplicates Z: 13 21.984 2.036 0.515 0.906 1.000 0.500 CB 1.463 13 residues pruned to eliminate duplicates Z: 9 7.891 1.544 0.390 0.861 1.000 0.625 CB 0.956 9 residues pruned to eliminate duplicates Z: 13 19.883 1.955 0.673 0.911 1.000 0.833 CA 1.243 13 residues pruned to eliminate duplicates Z: 8 8.649 1.675 0.884 0.710 0.714 0.429 CB 1.198 8 residues pruned to eliminate duplicates Z: 16 22.188 1.907 0.845 0.895 1.000 0.667 CB 1.167 16 residues pruned to eliminate duplicates Z: 8 12.410 1.775 0.761 0.901 1.000 0.857 CB 1.071 8 residues pruned to eliminate duplicates Z: 10 11.331 1.803 0.404 0.791 0.889 0.444 CB 1.300 10 residues pruned to eliminate duplicates Z: 9 3.090 1.422 0.241 0.293 0.875 0.625 CB 0.892 8 residues pruned to eliminate duplicates Z: 12 15.047 1.859 0.319 0.882 1.000 0.818 CB 1.339 12 residues pruned to eliminate duplicates Z: 17 19.267 1.818 0.855 0.876 0.938 0.625 CB 1.107 17 residues pruned to eliminate duplicates Z: 8 4.398 1.669 0.021 0.481 0.857 0.714 CA 1.160 Z: 22 35.181 2.010 0.984 0.945 1.000 0.810 CB 1.332 22 residues pruned to eliminate duplicates Z: 10 3.081 1.494 0.601 0.235 0.556 0.444 CB 1.051 10 residues pruned to eliminate duplicates Z: 10 14.326 1.805 0.560 0.888 1.000 0.889 CB 1.222 10 residues pruned to eliminate duplicates Z: 10 17.752 1.663 1.174 0.884 1.000 0.667 CB 1.182 10 residues pruned to eliminate duplicates Z: 13 16.516 1.981 0.904 0.885 0.917 0.667 CA 0.996 13 residues pruned to eliminate duplicates Z: 9 4.545 1.563 0.238 0.529 0.875 0.625 CB 0.923 9 residues pruned to eliminate duplicates Z: 24 28.536 2.001 0.690 0.932 0.957 0.522 CB 1.285 24 residues pruned to eliminate duplicates Z: 21 27.586 1.945 0.677 0.908 0.950 0.700 CB 1.414 21 residues pruned to eliminate duplicates Z: 31 24.339 1.938 0.425 0.760 1.000 0.700 CB 1.277 31 residues pruned to eliminate duplicates Z: 9 4.966 1.742 0.162 0.408 0.875 0.625 CB 1.092 9 residues pruned to eliminate duplicates Z: 9 10.791 1.772 0.366 0.907 1.000 0.875 CB 1.121 9 residues pruned to eliminate duplicates Z: 8 20.439 1.808 1.313 0.900 1.000 0.857 CA 1.319 8 residues pruned to eliminate duplicates Z: 11 20.939 1.768 1.317 0.914 1.000 0.600 CA 1.143 11 residues pruned to eliminate duplicates Z: 11 17.903 1.861 0.857 0.814 1.000 0.800 CA 1.246 11 residues pruned to eliminate duplicates Z: 13 18.321 1.882 0.852 0.897 0.917 0.500 CA 1.184 13 residues pruned to eliminate duplicates Z: 6 5.397 1.471 0.474 0.852 1.000 0.800 CB 0.824 6 residues pruned to eliminate duplicates Z: 23 25.588 1.946 0.714 0.860 0.909 0.636 CB 1.322 23 residues pruned to eliminate duplicates Z: 11 14.366 1.716 0.681 0.854 1.000 0.800 CB 1.164 11 residues pruned to eliminate duplicates Z: 12 16.025 1.848 0.560 0.887 1.000 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 23 28.782 1.929 0.981 0.922 0.955 0.500 CB 1.184 23 residues pruned to eliminate duplicates Z: 7 6.023 1.834 0.549 0.221 0.833 0.500 CA 1.441 7 residues pruned to eliminate duplicates Z: 16 11.598 1.875 0.443 0.630 0.800 0.667 CB 1.223 16 residues pruned to eliminate duplicates Z: 8 8.510 1.785 0.793 0.808 1.000 0.714 CA 0.768 8 residues pruned to eliminate duplicates Z: 9 6.951 1.400 0.727 0.543 1.000 0.625 CA 0.974 8 residues pruned to eliminate duplicates Z: 16 8.313 1.541 0.805 0.381 0.733 0.467 CB 1.195 6 1.982 1.530 -0.124 0.392 0.800 0.600 CB 0.926 ? Z: 40 25.006 1.941 0.399 0.700 0.949 0.667 CB 1.296 40 residues pruned to eliminate duplicates Z: 12 23.063 1.995 1.171 0.924 1.000 0.818 CB 1.127 12 residues pruned to eliminate duplicates Z: 11 10.331 1.894 0.384 0.895 1.000 0.800 CA 0.893 11 residues pruned to eliminate duplicates Z: 18 19.899 1.767 0.922 0.894 0.941 0.529 CB 1.084 17 residues pruned to eliminate duplicates Z: 23 27.448 1.869 0.871 0.858 0.955 0.591 CB 1.291 23 residues pruned to eliminate duplicates Z: 14 27.638 2.027 0.888 0.920 0.923 0.846 CB 1.528 14 residues pruned to eliminate duplicates Z: 7 9.440 1.649 0.469 0.709 1.000 0.833 C 1.316 7 residues pruned to eliminate duplicates Z: 6 3.385 1.569 0.484 0.857 1.000 1.000 CB 0.479 6 residues pruned to eliminate duplicates Z: 21 33.118 1.969 1.074 0.934 1.000 0.600 CB 1.264 21 residues pruned to eliminate duplicates Z: 10 18.704 1.796 1.070 0.808 1.000 0.667 CA 1.283 10 residues pruned to eliminate duplicates Z: 14 21.046 1.806 0.805 0.917 1.000 0.923 CB 1.264 14 residues pruned to eliminate duplicates 9 1.353 1.310 0.099 0.185 0.625 0.250 CB 0.776 ? Z: 26 27.708 1.902 0.755 0.901 1.000 0.800 CA 1.185 26 residues pruned to eliminate duplicates Z: 11 13.640 1.781 0.663 0.875 0.800 0.300 CA 1.324 11 residues pruned to eliminate duplicates Z: 11 13.073 1.743 0.383 0.765 1.000 0.800 CB 1.356 11 residues pruned to eliminate duplicates Z: 6 4.824 1.448 0.884 0.460 0.800 0.400 O 1.030 Z: 23 37.571 1.973 1.064 0.937 1.000 0.591 CB 1.369 24 residues pruned to eliminate duplicates Z: 6 3.474 1.755 0.695 0.387 0.800 0.400 CB 0.736 6 residues pruned to eliminate duplicates Z: 25 24.586 1.950 0.458 0.907 1.000 0.875 CA 1.255 25 residues pruned to eliminate duplicates Z: 22 32.684 1.972 1.074 0.921 1.000 0.524 CB 1.227 22 residues pruned to eliminate duplicates Z: 7 10.933 1.639 0.843 0.860 0.833 0.833 CA 1.304 7 residues pruned to eliminate duplicates Z: 10 6.176 1.477 0.473 0.582 0.889 0.667 CA 0.984 10 residues pruned to eliminate duplicates Z: 10 6.386 1.728 0.441 0.390 0.778 0.667 CB 1.235 10 residues pruned to eliminate duplicates Z: 8 6.916 1.694 0.490 0.878 1.000 0.857 CB 0.751 8 residues pruned to eliminate duplicates Z: 24 27.021 2.001 0.591 0.937 1.000 0.826 CB 1.232 24 residues pruned to eliminate duplicates Z: 11 18.219 1.905 0.780 0.920 1.000 1.000 CA 1.196 11 residues pruned to eliminate duplicates Z: 31 21.817 1.902 0.472 0.707 0.933 0.500 CB 1.263 31 residues pruned to eliminate duplicates Z: 8 12.641 1.821 0.769 0.848 1.000 0.429 CB 1.100 8 residues pruned to eliminate duplicates Z: 11 21.568 1.980 1.087 0.929 1.000 0.300 CB 1.155 11 residues pruned to eliminate duplicates Z: 17 17.142 1.813 0.681 0.830 0.938 0.750 CB 1.128 17 residues pruned to eliminate duplicates Z: 10 6.027 1.477 0.695 0.372 1.000 0.333 CA 0.919 Z: 22 27.473 1.926 0.909 0.861 0.952 0.524 CB 1.258 22 residues pruned to eliminate duplicates Z: 11 11.832 1.610 0.598 0.840 1.000 0.900 CB 1.085 11 residues pruned to eliminate duplicates Z: 6 5.626 1.706 0.624 0.579 1.000 0.600 CB 0.842 7 residues pruned to eliminate duplicates Z: 9 5.615 1.581 0.213 0.872 1.000 0.750 CB 0.755 7 residues pruned to eliminate duplicates Z: 22 30.589 1.967 0.899 0.938 1.000 0.857 CB 1.242 22 residues pruned to eliminate duplicates Z: 41 30.046 1.851 0.963 0.663 0.875 0.500 CB 1.285 38 residues pruned to eliminate duplicates Z: 15 10.671 1.814 0.428 0.797 0.714 0.357 CB 1.188 15 residues pruned to eliminate duplicates Z: 11 10.131 1.591 0.160 0.845 1.000 0.800 CA 1.291 11 residues pruned to eliminate duplicates Z: 6 3.448 1.673 -0.141 0.460 1.000 0.800 CB 1.118 Z: 14 16.685 1.773 0.783 0.879 0.923 0.538 CB 1.150 14 residues pruned to eliminate duplicates Z: 8 11.639 1.655 0.542 0.809 1.000 0.714 CB 1.318 8 residues pruned to eliminate duplicates Z: 8 8.369 1.675 0.444 0.605 1.000 0.429 CA 1.184 8 residues pruned to eliminate duplicates Z: 9 11.197 1.697 0.451 0.836 0.875 0.375 N 1.375 9 residues pruned to eliminate duplicates Z: 7 9.828 1.682 0.516 0.752 1.000 0.667 N 1.257 Z: 9 14.701 1.697 0.695 0.857 1.000 0.875 CA 1.331 9 residues pruned to eliminate duplicates Z: 6 8.500 1.739 0.934 0.843 1.000 0.600 CB 0.841 6 residues pruned to eliminate duplicates Z: 14 7.339 1.637 0.467 0.500 0.846 0.231 CA 1.002 6 residues pruned to eliminate duplicates Z: 9 7.131 1.720 0.181 0.812 0.875 0.625 CB 1.081 9 residues pruned to eliminate duplicates Z: 10 12.407 1.821 0.324 0.813 1.000 1.000 CB 1.307 10 residues pruned to eliminate duplicates Z: 17 6.904 1.570 0.364 0.357 0.875 0.625 CB 1.075 9 residues pruned to eliminate duplicates Z: 14 13.234 1.749 0.583 0.842 0.846 0.538 CB 1.167 14 residues pruned to eliminate duplicates Z: 10 3.243 1.355 0.172 0.259 0.778 0.444 C 1.153 Z: 10 11.027 1.983 0.064 0.889 1.000 0.889 CA 1.254 10 residues pruned to eliminate duplicates Z: 7 5.764 1.803 -0.037 0.860 1.000 0.500 CB 0.996 7 residues pruned to eliminate duplicates Z: 15 15.208 1.760 0.741 0.582 0.929 0.643 CA 1.320 15 residues pruned to eliminate duplicates Z: 7 11.695 1.843 0.458 0.857 1.000 0.667 CB 1.309 7 residues pruned to eliminate duplicates Z: 8 6.928 1.684 0.434 0.836 0.714 0.429 CB 1.137 8 residues pruned to eliminate duplicates Z: 10 17.588 1.715 0.654 0.910 1.000 0.889 CA 1.465 Z: 9 6.402 1.757 -0.015 0.856 1.000 0.500 CB 0.964 9 residues pruned to eliminate duplicates Z: 8 8.076 1.579 0.555 0.843 1.000 0.714 CB 0.926 8 residues pruned to eliminate duplicates Z: 7 5.139 1.594 0.236 0.421 1.000 0.500 CA 1.156 6 residues pruned to eliminate duplicates Z: 16 16.856 1.871 0.702 0.622 1.000 0.800 CB 1.218 16 residues pruned to eliminate duplicates Z: 10 9.338 1.764 0.167 0.877 0.889 0.667 CB 1.235 10 residues pruned to eliminate duplicates Z: 8 4.936 1.636 0.501 0.404 0.857 0.571 CB 0.980 8 residues pruned to eliminate duplicates Z: 8 8.760 1.642 0.542 0.829 0.857 0.429 CB 1.147 8 residues pruned to eliminate duplicates Z: 15 6.684 1.513 0.553 0.318 1.000 0.643 CB 0.930 17 residues pruned to eliminate duplicates Z: 9 16.361 1.805 0.951 0.925 1.000 1.000 CB 1.153 9 residues pruned to eliminate duplicates Z: 8 5.145 1.572 0.910 0.428 0.714 0.429 CB 0.977 8 residues pruned to eliminate duplicates Z: 8 6.206 1.495 0.463 0.499 1.000 0.714 CB 1.074 Z: 12 17.983 1.833 1.036 0.917 1.000 0.818 CB 1.025 12 residues pruned to eliminate duplicates Z: 8 6.631 1.627 0.187 0.878 1.000 0.857 CB 0.941 8 residues pruned to eliminate duplicates Z: 10 6.358 1.629 0.338 0.406 0.778 0.556 CA 1.380 10 residues pruned to eliminate duplicates Z: 16 19.570 1.914 1.080 0.795 0.933 0.533 CB 1.050 16 residues pruned to eliminate duplicates Z: 13 13.835 1.793 0.267 0.868 1.000 0.750 CB 1.285 13 residues pruned to eliminate duplicates Z: 8 9.341 1.733 0.444 0.805 1.000 0.714 CB 1.081 8 residues pruned to eliminate duplicates Z: 6 10.760 1.923 0.624 0.870 1.000 1.000 CB 1.125 6 residues pruned to eliminate duplicates Z: 8 6.212 1.761 0.340 0.489 0.857 0.714 CA 1.173 8 residues pruned to eliminate duplicates Z: 15 14.962 1.865 0.776 0.702 0.857 0.357 CB 1.172 15 residues pruned to eliminate duplicates Z: 21 21.203 1.920 0.448 0.932 1.000 0.700 CB 1.191 21 residues pruned to eliminate duplicates Z: 25 27.190 1.978 0.751 0.923 0.875 0.458 CB 1.287 25 residues pruned to eliminate duplicates Z: 11 11.896 1.951 0.701 0.477 0.900 0.700 CB 1.290 11 residues pruned to eliminate duplicates Z: 10 9.775 1.545 0.582 0.777 1.000 0.556 CB 1.044 10 residues pruned to eliminate duplicates Z: 26 36.638 2.074 0.841 0.926 0.960 0.600 CB 1.401 26 residues pruned to eliminate duplicates Z: 22 8.902 1.753 0.498 0.502 0.905 0.571 CB 0.816 22 residues pruned to eliminate duplicates Z: 9 11.745 1.790 0.290 0.868 1.000 1.000 CB 1.314 9 residues pruned to eliminate duplicates Z: 6 4.535 1.529 0.292 0.471 1.000 1.000 CB 1.058 5 residues pruned to eliminate duplicates Z: 10 10.563 1.667 0.269 0.912 1.000 0.889 CB 1.180 10 residues pruned to eliminate duplicates Z: 25 18.840 1.752 0.878 0.622 0.917 0.583 CB 1.136 22 residues pruned to eliminate duplicates Z: 10 10.314 1.678 0.245 0.863 1.000 0.778 CA 1.208 10 residues pruned to eliminate duplicates Z: 12 14.538 1.880 0.820 0.914 0.909 0.818 CA 0.997 12 residues pruned to eliminate duplicates Z: 11 12.547 1.849 0.522 0.900 0.900 0.900 CA 1.119 11 residues pruned to eliminate duplicates Z: 8 4.000 1.496 0.074 0.353 0.857 0.429 C 1.286 Z: 17 17.192 1.801 0.568 0.890 0.938 0.812 CA 1.169 17 residues pruned to eliminate duplicates Z: 7 8.901 1.649 0.504 0.832 1.000 0.667 CB 1.100 7 residues pruned to eliminate duplicates Z: 14 7.224 1.676 0.311 0.502 0.923 0.692 CB 0.986 14 residues pruned to eliminate duplicates 6 1.832 1.200 0.698 0.100 0.800 0.400 CB 0.838 ? Z: 12 5.717 1.439 0.513 0.339 0.818 0.455 CB 1.153 10 residues pruned to eliminate duplicates Z: 7 3.800 1.505 0.171 0.400 1.000 0.667 CB 0.978 7 residues pruned to eliminate duplicates Z: 6 4.206 1.748 0.003 0.804 1.000 0.800 CB 0.823 6 residues pruned to eliminate duplicates Z: 10 14.730 1.804 1.089 0.883 0.889 0.889 CB 1.060 10 residues pruned to eliminate duplicates Z: 9 4.040 1.536 -0.106 0.819 1.000 0.625 CB 0.789 9 residues pruned to eliminate duplicates Z: 22 11.912 1.816 0.644 0.629 0.762 0.476 CB 1.012 32 residues pruned to eliminate duplicates Z: 6 3.434 1.652 0.526 0.481 0.800 0.400 CB 0.777 Z: 9 7.562 1.435 0.362 0.845 1.000 0.750 CA 1.018 10 residues pruned to eliminate duplicates Z: 14 12.649 1.666 0.546 0.759 0.923 0.769 CA 1.172 14 residues pruned to eliminate duplicates Z: 10 7.223 1.520 0.469 0.571 1.000 0.667 CB 1.006 10 residues pruned to eliminate duplicates Z: 9 4.373 1.417 0.394 0.539 0.875 0.500 CB 0.861 Z: 7 5.765 1.634 0.365 0.672 0.833 0.833 CB 1.080 Z: 6 4.458 1.348 0.861 0.756 1.000 0.400 CB 0.632 6 residues pruned to eliminate duplicates Z: 6 3.396 1.329 0.805 0.689 0.800 0.800 N 0.665 Z: 8 11.139 1.828 0.497 0.887 1.000 0.857 CB 1.110 8 residues pruned to eliminate duplicates Z: 9 8.862 1.635 0.333 0.854 1.000 0.750 CA 1.061 9 residues pruned to eliminate duplicates Z: 10 5.586 1.413 0.603 0.480 0.778 0.444 CA 1.079 10 residues pruned to eliminate duplicates Z: 16 20.981 1.820 0.850 0.849 1.000 0.667 CB 1.192 16 residues pruned to eliminate duplicates Z: 10 6.251 1.566 0.385 0.680 0.889 0.667 CA 0.916 10 residues pruned to eliminate duplicates Z: 30 21.528 1.913 0.705 0.608 0.897 0.690 CA 1.234 59 residues pruned to eliminate duplicates Z: 26 17.505 1.770 0.651 0.589 0.960 0.560 CB 1.146 26 residues pruned to eliminate duplicates Z: 21 29.185 1.831 1.125 0.936 0.950 0.400 CB 1.230 21 residues pruned to eliminate duplicates Z: 12 9.242 1.746 0.571 0.572 0.909 0.545 CB 1.043 12 residues pruned to eliminate duplicates Z: 8 5.507 1.534 0.454 0.821 1.000 0.429 CB 0.707 8 residues pruned to eliminate duplicates Z: 21 34.615 2.010 1.130 0.924 1.000 0.700 CB 1.270 21 residues pruned to eliminate duplicates Z: 16 19.287 1.860 0.741 0.864 0.933 0.667 CB 1.208 16 residues pruned to eliminate duplicates Z: 9 10.818 1.806 0.256 0.897 1.000 0.750 CB 1.207 9 residues pruned to eliminate duplicates Z: 20 25.784 2.013 0.853 0.570 1.000 0.474 CA 1.482 30 residues pruned to eliminate duplicates Z: 12 18.827 1.974 0.585 0.880 1.000 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 9 7.329 1.721 0.260 0.502 0.875 0.500 CA 1.363 10 residues pruned to eliminate duplicates Z: 11 13.422 1.728 0.402 0.799 1.000 0.800 CA 1.349 11 residues pruned to eliminate duplicates Z: 9 15.923 2.022 0.560 0.894 1.000 1.000 CB 1.280 9 residues pruned to eliminate duplicates Z: 8 8.460 1.569 0.712 0.705 1.000 0.286 CB 0.988 8 residues pruned to eliminate duplicates Z: 18 13.416 1.627 0.535 0.596 1.000 1.000 CB 1.188 18 residues pruned to eliminate duplicates Z: 11 8.932 1.605 0.092 0.903 1.000 0.900 CB 1.149 11 residues pruned to eliminate duplicates Z: 7 5.716 1.795 -0.095 0.747 1.000 0.500 CB 1.152 7 residues pruned to eliminate duplicates Z: 7 4.878 1.399 0.355 0.815 1.000 0.500 CA 0.798 7 residues pruned to eliminate duplicates Z: 7 5.145 1.665 0.420 0.564 0.833 0.667 CB 1.002 7 residues pruned to eliminate duplicates Z: 7 3.303 1.485 0.417 0.495 0.833 0.500 N 0.773 Z: 22 23.236 1.966 0.896 0.631 0.952 0.667 CB 1.263 22 residues pruned to eliminate duplicates Z: 7 3.771 1.582 0.098 0.534 0.833 0.500 CB 1.029 Z: 14 23.594 1.960 1.031 0.926 1.000 1.000 CA 1.153 14 residues pruned to eliminate duplicates Z: 10 13.697 1.800 0.490 0.765 1.000 0.889 CB 1.346 11 residues pruned to eliminate duplicates Z: 9 21.183 1.851 1.294 0.912 1.000 1.000 CB 1.249 10 residues pruned to eliminate duplicates Z: 9 5.856 1.739 0.329 0.470 0.750 0.750 CA 1.232 9 residues pruned to eliminate duplicates Z: 16 16.487 1.664 0.592 0.893 1.000 0.933 CB 1.153 16 residues pruned to eliminate duplicates Z: 6 2.478 1.488 0.071 0.398 1.000 0.800 CB 0.774 Z: 10 5.803 1.587 0.364 0.458 0.778 0.444 CB 1.199 10 residues pruned to eliminate duplicates Z: 7 2.337 1.340 0.081 0.455 0.667 0.667 N 1.035 Z: 22 26.133 1.952 0.715 0.911 1.000 0.762 CB 1.208 22 residues pruned to eliminate duplicates Z: 7 4.433 1.527 0.243 0.869 1.000 0.667 CB 0.697 7 residues pruned to eliminate duplicates Z: 6 5.746 1.319 0.932 0.774 0.800 0.800 N 0.990 8 1.645 1.439 0.088 0.346 0.714 0.429 CB 0.657 ? Z: 11 5.269 1.523 0.488 0.483 0.700 0.500 CB 1.069 Z: 9 7.947 1.450 0.616 0.846 1.000 0.625 CB 0.891 9 residues pruned to eliminate duplicates Z: 7 4.613 1.738 0.193 0.508 1.000 0.667 CA 0.901 7 residues pruned to eliminate duplicates Z: 10 10.364 1.731 0.386 0.855 0.889 0.444 CB 1.195 10 residues pruned to eliminate duplicates 500 residues left after pruning, divided into chains as follows: A: 30 B: 13 C: 25 D: 11 E: 7 F: 7 G: 62 H: 15 I: 6 J: 14 K: 41 L: 17 M: 10 N: 133 O: 21 P: 51 Q: 18 R: 10 S: 9 CC for partial structure against native data = 35.65 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.388, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.449, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.536, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.544, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.554, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.559, Connect. = 0.767 for dens.mod. cycle 6 = 0.300, Contrast = 0.563, Connect. = 0.768 for dens.mod. cycle 7 = 0.300, Contrast = 0.566, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 0.569, Connect. = 0.770 for dens.mod. cycle 9 = 0.300, Contrast = 0.570, Connect. = 0.771 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2879 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 656 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 26.982 2.197 0.365 0.914 1.000 0.778 CA 1.500 B: 23 25.453 1.974 0.666 0.892 0.909 0.682 CB 1.304 C: 25 25.049 2.105 0.521 0.918 0.833 0.708 CB 1.352 D: 13 21.675 1.982 0.649 0.911 1.000 0.833 CA 1.357 E: 17 31.323 2.226 0.594 0.934 1.000 0.875 CB 1.539 17 residues pruned to eliminate duplicates F: 22 31.337 2.088 0.595 0.933 1.000 0.952 CB 1.432 G: 16 19.553 2.015 0.199 0.887 1.000 0.933 CB 1.506 H: 24 32.024 2.004 0.778 0.923 1.000 0.652 CB 1.317 23 residues pruned to eliminate duplicates I: 22 30.953 2.097 0.560 0.943 1.000 0.810 CB 1.430 22 residues pruned to eliminate duplicates J: 16 28.570 2.201 0.641 0.916 1.000 0.733 CA 1.443 16 residues pruned to eliminate duplicates K: 11 22.213 2.301 0.319 0.925 1.000 1.000 CA 1.624 11 residues pruned to eliminate duplicates L: 22 29.364 2.081 0.545 0.930 1.000 0.667 CB 1.394 22 residues pruned to eliminate duplicates M: 18 20.645 1.965 0.380 0.858 0.941 0.706 CB 1.445 16 residues pruned to eliminate duplicates N: 23 29.815 2.098 0.546 0.918 0.955 0.773 CB 1.447 23 residues pruned to eliminate duplicates O: 22 31.422 2.047 0.839 0.913 0.952 0.619 CB 1.353 22 residues pruned to eliminate duplicates P: 26 28.849 2.070 0.441 0.915 1.000 0.720 CA 1.367 20 residues pruned to eliminate duplicates Q: 13 29.716 2.038 1.102 0.889 1.000 0.667 CA 1.442 R: 11 17.680 1.892 0.598 0.883 1.000 0.800 CA 1.337 S: 23 30.519 2.045 0.780 0.933 1.000 0.909 CB 1.247 24 residues pruned to eliminate duplicates T: 22 30.161 2.063 0.715 0.936 1.000 0.619 CB 1.296 22 residues pruned to eliminate duplicates U: 10 12.702 1.940 0.819 0.869 0.778 0.444 CA 1.127 V: 16 19.037 2.039 0.206 0.887 1.000 0.733 CB 1.442 16 residues pruned to eliminate duplicates W: 18 18.614 1.981 0.434 0.841 0.941 0.471 CB 1.258 X: 12 15.973 2.121 0.385 0.907 0.909 0.636 CB 1.281 Y: 12 21.537 2.056 0.565 0.884 1.000 0.818 CB 1.458 13 residues pruned to eliminate duplicates Z: 23 34.632 2.034 1.023 0.908 1.000 0.636 CB 1.275 23 residues pruned to eliminate duplicates Z: 11 26.363 2.165 0.717 0.911 1.000 0.700 CB 1.589 Z: 11 15.785 2.171 0.363 0.910 1.000 0.800 CA 1.196 11 residues pruned to eliminate duplicates Z: 25 26.594 2.118 0.579 0.888 0.875 0.833 CB 1.337 25 residues pruned to eliminate duplicates Z: 23 28.982 1.990 0.784 0.897 0.955 0.636 CB 1.305 23 residues pruned to eliminate duplicates Z: 13 20.188 2.052 0.516 0.902 1.000 0.917 CB 1.337 Z: 14 22.367 2.079 0.549 0.898 1.000 0.846 CA 1.377 12 residues pruned to eliminate duplicates Z: 6 10.385 1.999 0.187 0.855 1.000 1.000 CB 1.444 6 residues pruned to eliminate duplicates Z: 25 23.087 2.059 0.426 0.875 0.833 0.583 CA 1.401 25 residues pruned to eliminate duplicates Z: 7 13.362 2.307 0.375 0.839 0.833 0.500 CB 1.541 Z: 8 17.281 2.123 0.687 0.893 1.000 0.857 CA 1.309 7 residues pruned to eliminate duplicates Z: 26 26.606 2.088 0.375 0.912 0.960 0.680 CA 1.367 25 residues pruned to eliminate duplicates Z: 14 18.609 1.865 0.439 0.924 1.000 1.000 CA 1.351 Z: 13 19.108 2.107 0.421 0.878 1.000 0.917 CB 1.336 13 residues pruned to eliminate duplicates Z: 10 21.239 2.177 0.487 0.886 1.000 0.778 CB 1.578 12 residues pruned to eliminate duplicates Z: 11 16.449 1.882 0.452 0.817 1.000 0.700 CB 1.444 Z: 11 16.492 2.011 0.738 0.868 0.900 0.800 CB 1.211 10 residues pruned to eliminate duplicates Z: 17 24.507 2.015 0.473 0.907 1.000 0.812 CB 1.468 17 residues pruned to eliminate duplicates Z: 25 34.498 2.146 0.652 0.912 0.958 0.458 CA 1.468 25 residues pruned to eliminate duplicates Z: 24 27.323 2.119 0.497 0.943 0.957 0.739 CB 1.301 24 residues pruned to eliminate duplicates Z: 9 11.302 1.976 0.594 0.740 1.000 0.625 CA 1.023 8 residues pruned to eliminate duplicates Z: 23 15.187 1.929 0.360 0.520 0.864 0.636 CB 1.401 Z: 23 33.262 2.040 0.904 0.920 0.955 0.727 CB 1.348 23 residues pruned to eliminate duplicates Z: 17 21.477 1.852 0.673 0.685 1.000 0.750 CA 1.461 Z: 20 35.011 2.087 1.003 0.942 1.000 0.579 CB 1.332 20 residues pruned to eliminate duplicates Z: 24 20.620 1.947 0.290 0.893 0.913 0.913 CB 1.346 24 residues pruned to eliminate duplicates Z: 8 8.274 2.001 0.513 0.377 0.714 0.571 CB 1.648 Z: 25 29.266 2.084 0.576 0.900 0.958 0.667 CB 1.356 26 residues pruned to eliminate duplicates Z: 14 33.852 2.300 1.072 0.802 0.923 0.538 CB 1.640 10 residues pruned to eliminate duplicates Z: 23 30.592 2.096 0.662 0.928 0.955 0.636 CB 1.373 23 residues pruned to eliminate duplicates Z: 10 23.855 2.042 0.892 0.917 1.000 0.556 CB 1.453 10 residues pruned to eliminate duplicates Z: 13 22.381 2.151 0.470 0.919 1.000 0.917 CA 1.440 14 residues pruned to eliminate duplicates Z: 26 34.083 2.100 0.602 0.925 1.000 0.680 CB 1.422 26 residues pruned to eliminate duplicates Z: 46 31.085 2.037 0.409 0.727 0.956 0.800 CA 1.378 48 residues pruned to eliminate duplicates Z: 21 37.184 2.160 0.906 0.939 1.000 0.700 CB 1.403 22 residues pruned to eliminate duplicates Z: 18 21.555 1.934 0.533 0.862 1.000 0.529 CB 1.295 18 residues pruned to eliminate duplicates Z: 25 27.562 2.123 0.507 0.916 0.917 0.750 CB 1.355 25 residues pruned to eliminate duplicates Z: 13 19.144 2.090 0.511 0.913 1.000 0.917 CA 1.239 13 residues pruned to eliminate duplicates Z: 10 15.784 1.884 0.499 0.830 1.000 0.667 CB 1.401 Z: 14 24.288 2.000 0.775 0.898 1.000 0.692 CA 1.358 14 residues pruned to eliminate duplicates Z: 11 12.440 1.740 0.274 0.905 1.000 0.900 CB 1.263 Z: 11 14.371 1.743 0.682 0.868 0.900 0.700 CB 1.259 11 residues pruned to eliminate duplicates Z: 11 10.625 2.092 0.159 0.928 1.000 1.000 CA 0.970 11 residues pruned to eliminate duplicates Z: 22 28.830 2.118 0.458 0.935 1.000 0.810 CB 1.420 22 residues pruned to eliminate duplicates Z: 25 31.771 2.082 0.755 0.931 0.917 0.708 CB 1.353 25 residues pruned to eliminate duplicates Z: 14 20.420 1.985 0.636 0.884 0.923 0.308 CB 1.366 14 residues pruned to eliminate duplicates Z: 7 4.085 1.972 0.864 0.364 0.667 0.667 CA 0.788 Z: 11 12.591 1.904 0.181 0.810 1.000 0.800 CB 1.352 11 residues pruned to eliminate duplicates Z: 26 28.594 2.042 0.553 0.887 1.000 0.800 CA 1.300 26 residues pruned to eliminate duplicates Z: 6 3.773 1.641 0.361 0.760 0.600 0.400 CA 0.999 Z: 13 22.692 2.160 0.649 0.920 1.000 0.833 CA 1.294 13 residues pruned to eliminate duplicates Z: 18 15.925 1.936 0.350 0.858 0.941 0.824 CB 1.156 18 residues pruned to eliminate duplicates Z: 26 29.589 2.114 0.545 0.886 0.880 0.560 CA 1.486 26 residues pruned to eliminate duplicates Z: 16 15.747 1.943 0.218 0.863 1.000 0.667 CA 1.260 16 residues pruned to eliminate duplicates Z: 25 29.728 2.095 0.495 0.930 1.000 0.792 CA 1.355 25 residues pruned to eliminate duplicates Z: 14 18.279 2.104 0.130 0.881 1.000 0.846 CB 1.544 15 residues pruned to eliminate duplicates Z: 14 9.609 1.701 0.189 0.729 0.846 0.692 CB 1.267 12 residues pruned to eliminate duplicates Z: 15 21.353 2.040 0.599 0.872 1.000 0.571 CB 1.275 13 residues pruned to eliminate duplicates Z: 11 23.032 1.905 0.949 0.873 1.000 0.500 CB 1.429 11 residues pruned to eliminate duplicates Z: 16 20.710 1.831 0.805 0.910 1.000 0.867 CA 1.147 10 residues pruned to eliminate duplicates Z: 14 19.237 1.890 0.403 0.922 1.000 1.000 CA 1.415 14 residues pruned to eliminate duplicates Z: 26 26.961 2.077 0.442 0.944 1.000 0.640 CB 1.246 25 residues pruned to eliminate duplicates Z: 6 8.193 1.936 1.314 0.488 0.600 0.600 CB 1.379 5 residues pruned to eliminate duplicates Z: 18 17.705 1.957 0.382 0.789 0.941 0.706 CA 1.308 18 residues pruned to eliminate duplicates Z: 13 30.615 2.144 0.956 0.928 1.000 0.583 CB 1.475 13 residues pruned to eliminate duplicates Z: 11 13.683 1.759 0.568 0.857 0.900 0.800 CB 1.284 10 residues pruned to eliminate duplicates Z: 25 26.030 2.117 0.433 0.932 0.917 0.750 CB 1.335 26 residues pruned to eliminate duplicates Z: 15 19.306 2.032 0.454 0.903 1.000 0.714 CB 1.245 15 residues pruned to eliminate duplicates Z: 22 17.673 1.930 0.328 0.576 1.000 0.762 CB 1.398 22 residues pruned to eliminate duplicates Z: 24 28.706 2.070 0.517 0.924 0.957 0.870 CA 1.400 24 residues pruned to eliminate duplicates Z: 24 16.444 1.889 0.356 0.577 0.913 0.652 CB 1.361 24 residues pruned to eliminate duplicates Z: 14 16.894 1.996 0.501 0.842 1.000 0.769 CB 1.165 14 residues pruned to eliminate duplicates Z: 11 12.665 1.681 0.549 0.817 1.000 0.700 CB 1.168 11 residues pruned to eliminate duplicates Z: 14 26.285 1.874 0.985 0.933 1.000 0.923 CA 1.367 14 residues pruned to eliminate duplicates Z: 12 21.984 1.971 0.613 0.924 1.000 1.000 CA 1.463 12 residues pruned to eliminate duplicates Z: 21 31.245 2.035 0.851 0.917 1.000 0.850 CA 1.308 21 residues pruned to eliminate duplicates Z: 13 25.081 2.080 0.630 0.901 1.000 0.750 CB 1.525 11 residues pruned to eliminate duplicates Z: 8 7.174 1.750 -0.019 0.887 1.000 1.000 CB 1.139 Z: 14 22.936 2.003 0.691 0.939 1.000 1.000 CA 1.305 15 residues pruned to eliminate duplicates Z: 43 28.485 1.968 0.475 0.720 0.929 0.500 CB 1.337 24 residues pruned to eliminate duplicates Z: 11 16.403 1.826 0.480 0.897 1.000 0.900 CB 1.374 11 residues pruned to eliminate duplicates Z: 22 37.194 2.094 0.845 0.933 1.000 0.762 CB 1.466 21 residues pruned to eliminate duplicates Z: 6 11.406 1.937 0.702 0.833 1.000 0.600 CB 1.161 Z: 9 11.791 1.705 0.527 0.854 0.875 0.875 CB 1.351 9 residues pruned to eliminate duplicates Z: 13 30.765 2.164 0.970 0.926 1.000 0.750 CB 1.461 14 residues pruned to eliminate duplicates Z: 14 23.755 2.087 0.768 0.920 0.923 0.692 CB 1.362 14 residues pruned to eliminate duplicates Z: 13 19.831 2.081 0.373 0.909 0.917 0.917 CB 1.551 13 residues pruned to eliminate duplicates Z: 8 12.773 1.805 0.554 0.839 1.000 0.429 CB 1.286 7 residues pruned to eliminate duplicates Z: 11 25.327 1.934 1.019 0.896 1.000 0.900 CA 1.470 11 residues pruned to eliminate duplicates Z: 13 26.935 1.991 1.010 0.874 0.917 0.750 CA 1.543 13 residues pruned to eliminate duplicates Z: 13 24.966 2.040 0.704 0.921 1.000 0.750 CB 1.459 13 residues pruned to eliminate duplicates Z: 12 11.406 2.090 0.170 0.799 0.818 0.727 CA 1.323 12 residues pruned to eliminate duplicates Z: 13 21.258 1.902 0.647 0.909 1.000 0.917 CA 1.390 13 residues pruned to eliminate duplicates Z: 27 24.799 2.045 0.666 0.564 0.923 0.615 CB 1.454 24 residues pruned to eliminate duplicates Z: 13 14.634 2.006 0.153 0.922 1.000 0.917 CA 1.284 13 residues pruned to eliminate duplicates Z: 24 27.358 1.957 0.713 0.917 0.957 0.609 CB 1.255 24 residues pruned to eliminate duplicates Z: 47 34.513 2.050 0.660 0.644 0.913 0.478 CB 1.430 51 residues pruned to eliminate duplicates Z: 14 25.916 2.018 0.847 0.909 1.000 0.846 CA 1.369 15 residues pruned to eliminate duplicates Z: 10 14.129 1.914 0.538 0.908 0.889 0.667 CA 1.278 10 residues pruned to eliminate duplicates Z: 14 14.838 2.049 0.232 0.900 0.923 0.692 CB 1.261 14 residues pruned to eliminate duplicates Z: 14 23.392 2.100 0.536 0.919 1.000 0.923 CB 1.418 14 residues pruned to eliminate duplicates Z: 13 27.571 2.021 1.165 0.922 1.000 0.417 CB 1.279 13 residues pruned to eliminate duplicates Z: 22 10.096 1.814 0.507 0.366 0.762 0.524 CB 1.221 Z: 7 7.265 1.795 0.409 0.624 0.833 0.667 CB 1.252 Z: 25 29.492 2.130 0.388 0.927 1.000 0.875 CA 1.427 25 residues pruned to eliminate duplicates Z: 6 13.250 2.027 0.444 0.862 1.000 0.800 CB 1.486 6 residues pruned to eliminate duplicates Z: 10 9.878 1.907 0.111 0.868 1.000 0.889 CB 1.136 10 residues pruned to eliminate duplicates Z: 8 9.498 1.935 0.042 0.849 1.000 0.714 CB 1.320 10 residues pruned to eliminate duplicates Z: 25 23.194 1.976 0.578 0.918 0.917 0.875 CA 1.168 25 residues pruned to eliminate duplicates Z: 12 17.307 1.763 0.572 0.812 1.000 0.455 CA 1.434 12 residues pruned to eliminate duplicates Z: 10 28.688 2.163 0.946 0.909 1.000 0.778 CB 1.612 10 residues pruned to eliminate duplicates Z: 19 29.478 2.181 0.575 0.896 1.000 0.556 CA 1.449 19 residues pruned to eliminate duplicates Z: 24 22.420 2.078 0.289 0.866 0.913 0.783 CA 1.400 24 residues pruned to eliminate duplicates Z: 67 34.641 2.029 0.520 0.605 0.924 0.545 CB 1.354 76 residues pruned to eliminate duplicates Z: 20 11.834 1.747 0.391 0.522 0.895 0.632 CB 1.223 20 residues pruned to eliminate duplicates Z: 12 20.615 1.964 0.902 0.900 0.818 0.455 CA 1.452 Z: 24 23.772 2.096 0.332 0.919 1.000 0.696 CB 1.251 24 residues pruned to eliminate duplicates Z: 24 25.953 2.039 0.380 0.920 1.000 0.826 CB 1.354 24 residues pruned to eliminate duplicates Z: 19 39.057 2.163 1.075 0.938 1.000 0.722 CB 1.427 19 residues pruned to eliminate duplicates Z: 24 34.334 2.049 0.665 0.943 1.000 0.957 CB 1.454 23 residues pruned to eliminate duplicates Z: 17 17.100 1.949 0.279 0.844 0.875 0.812 CB 1.458 17 residues pruned to eliminate duplicates Z: 12 19.633 2.088 0.675 0.899 0.909 0.545 CB 1.330 12 residues pruned to eliminate duplicates Z: 27 20.442 2.008 0.433 0.634 0.885 0.654 CB 1.388 27 residues pruned to eliminate duplicates Z: 12 26.238 2.059 0.903 0.940 1.000 0.273 CB 1.401 12 residues pruned to eliminate duplicates Z: 9 14.163 1.916 0.371 0.846 1.000 0.625 CB 1.416 9 residues pruned to eliminate duplicates Z: 12 26.344 2.129 0.687 0.906 1.000 0.818 CA 1.573 12 residues pruned to eliminate duplicates Z: 8 7.916 1.983 -0.125 0.908 1.000 1.000 CB 1.225 8 residues pruned to eliminate duplicates Z: 25 30.937 2.100 0.511 0.913 1.000 0.833 CA 1.408 24 residues pruned to eliminate duplicates Z: 13 22.151 1.956 0.709 0.909 1.000 0.917 CA 1.358 12 residues pruned to eliminate duplicates Z: 20 39.065 2.192 0.965 0.949 1.000 0.526 CB 1.436 20 residues pruned to eliminate duplicates Z: 17 23.618 1.978 0.503 0.912 0.938 0.688 CB 1.501 16 residues pruned to eliminate duplicates Z: 11 20.641 2.050 0.900 0.850 1.000 0.800 CA 1.242 11 residues pruned to eliminate duplicates Z: 26 18.414 1.733 0.571 0.576 0.920 0.720 CA 1.366 20 residues pruned to eliminate duplicates Z: 9 12.550 1.940 0.154 0.802 1.000 0.500 CA 1.522 9 residues pruned to eliminate duplicates Z: 12 19.640 2.189 0.567 0.895 1.000 0.818 CA 1.237 12 residues pruned to eliminate duplicates Z: 8 15.896 2.232 0.479 0.898 1.000 0.714 CA 1.302 8 residues pruned to eliminate duplicates Z: 22 26.534 2.051 0.499 0.924 1.000 0.905 CB 1.323 22 residues pruned to eliminate duplicates Z: 12 15.008 1.750 0.445 0.844 1.000 0.727 CB 1.332 12 residues pruned to eliminate duplicates Z: 19 10.164 1.623 0.660 0.349 0.833 0.556 N 1.257 19 residues pruned to eliminate duplicates Z: 12 26.637 2.068 0.791 0.927 1.000 0.727 CA 1.520 13 residues pruned to eliminate duplicates Z: 13 8.041 1.752 0.354 0.366 0.833 0.500 CB 1.356 Z: 24 26.993 1.955 0.570 0.797 0.957 0.739 CA 1.478 22 residues pruned to eliminate duplicates Z: 9 13.789 1.714 0.592 0.854 1.000 0.750 CB 1.319 9 residues pruned to eliminate duplicates Z: 9 13.048 2.031 0.154 0.911 1.000 0.875 CB 1.396 9 residues pruned to eliminate duplicates Z: 11 28.591 1.968 1.205 0.896 1.000 0.600 CA 1.493 12 residues pruned to eliminate duplicates Z: 23 34.692 2.110 0.812 0.937 0.955 0.727 CB 1.411 23 residues pruned to eliminate duplicates Z: 18 19.173 1.869 0.468 0.869 1.000 0.588 CA 1.237 16 residues pruned to eliminate duplicates Z: 13 25.409 2.147 0.660 0.910 1.000 0.583 CA 1.460 12 residues pruned to eliminate duplicates Z: 13 26.514 1.963 0.959 0.904 1.000 0.917 CA 1.418 12 residues pruned to eliminate duplicates Z: 19 30.999 2.054 0.827 0.926 1.000 0.556 CB 1.366 19 residues pruned to eliminate duplicates Z: 13 25.831 2.117 0.544 0.928 1.000 0.917 CA 1.597 13 residues pruned to eliminate duplicates Z: 12 24.484 1.950 1.108 0.924 1.000 0.727 CB 1.261 12 residues pruned to eliminate duplicates Z: 13 21.196 2.007 0.546 0.875 1.000 0.833 CB 1.434 13 residues pruned to eliminate duplicates Z: 16 20.095 2.005 0.444 0.881 1.000 0.600 CB 1.298 16 residues pruned to eliminate duplicates Z: 8 7.324 1.659 -0.050 0.877 1.000 1.000 CB 1.275 Z: 17 23.174 2.034 0.566 0.893 1.000 0.750 CB 1.306 17 residues pruned to eliminate duplicates Z: 25 31.432 2.093 0.648 0.928 0.917 0.542 CB 1.421 25 residues pruned to eliminate duplicates Z: 14 24.493 1.907 0.803 0.942 1.000 0.923 CA 1.370 14 residues pruned to eliminate duplicates Z: 26 25.254 2.047 0.715 0.930 0.880 0.320 CB 1.143 26 residues pruned to eliminate duplicates Z: 9 12.266 1.806 0.370 0.833 1.000 0.750 CB 1.315 9 residues pruned to eliminate duplicates Z: 25 18.815 1.791 0.567 0.570 0.958 0.708 CA 1.334 24 residues pruned to eliminate duplicates Z: 10 14.174 1.940 0.318 0.720 1.000 0.556 CB 1.515 12 residues pruned to eliminate duplicates Z: 18 22.833 1.925 0.377 0.882 1.000 0.882 CB 1.512 18 residues pruned to eliminate duplicates Z: 12 15.443 1.854 0.674 0.827 1.000 0.909 CA 1.130 Z: 18 43.655 2.213 1.170 0.936 1.000 0.706 CB 1.535 22 residues pruned to eliminate duplicates Z: 26 26.946 2.021 0.648 0.906 0.920 0.680 CA 1.251 26 residues pruned to eliminate duplicates Z: 11 12.817 1.706 0.539 0.901 0.900 0.700 CA 1.224 11 residues pruned to eliminate duplicates Z: 10 24.803 1.912 1.064 0.911 1.000 0.556 CB 1.485 10 residues pruned to eliminate duplicates Z: 25 29.071 1.955 0.611 0.795 0.958 0.750 CB 1.518 25 residues pruned to eliminate duplicates Z: 25 19.329 2.064 0.071 0.904 0.958 0.875 CA 1.326 25 residues pruned to eliminate duplicates Z: 15 13.982 2.019 0.682 0.503 0.786 0.571 CB 1.397 15 residues pruned to eliminate duplicates Z: 11 17.015 2.017 0.644 0.790 1.000 0.800 CA 1.258 12 residues pruned to eliminate duplicates Z: 22 33.229 2.012 1.029 0.890 1.000 0.476 CB 1.278 22 residues pruned to eliminate duplicates Z: 13 25.918 2.022 1.046 0.880 1.000 0.583 CA 1.310 13 residues pruned to eliminate duplicates Z: 14 25.376 1.950 0.799 0.922 0.923 0.923 CB 1.529 14 residues pruned to eliminate duplicates Z: 17 16.972 1.915 0.525 0.862 0.875 0.688 CB 1.219 17 residues pruned to eliminate duplicates Z: 12 18.278 1.855 0.892 0.808 1.000 0.455 CB 1.200 11 residues pruned to eliminate duplicates Z: 19 15.413 2.084 0.449 0.565 0.889 0.667 CB 1.271 19 residues pruned to eliminate duplicates Z: 10 19.319 2.006 0.775 0.893 0.889 0.667 CB 1.460 10 residues pruned to eliminate duplicates Z: 22 35.324 2.093 0.945 0.951 1.000 0.571 CB 1.305 22 residues pruned to eliminate duplicates Z: 20 9.625 1.777 0.216 0.531 0.842 0.632 CB 1.177 20 residues pruned to eliminate duplicates Z: 13 22.894 1.955 0.812 0.893 1.000 0.750 CA 1.340 13 residues pruned to eliminate duplicates Z: 19 21.642 2.026 0.523 0.891 0.944 0.556 CB 1.259 19 residues pruned to eliminate duplicates Z: 15 19.779 2.065 0.877 0.818 0.857 0.429 CB 1.207 16 residues pruned to eliminate duplicates Z: 11 19.825 2.007 0.564 0.913 1.000 0.900 CA 1.414 11 residues pruned to eliminate duplicates Z: 25 26.996 2.050 0.606 0.920 0.917 0.542 CB 1.286 25 residues pruned to eliminate duplicates Z: 13 26.811 2.022 1.020 0.934 1.000 0.500 CB 1.322 13 residues pruned to eliminate duplicates Z: 16 22.224 2.015 0.579 0.926 1.000 0.867 CB 1.265 16 residues pruned to eliminate duplicates Z: 24 16.329 1.994 0.608 0.628 0.870 0.565 CB 1.082 24 residues pruned to eliminate duplicates Z: 10 7.104 1.753 0.250 0.864 0.889 0.778 CB 0.892 9 residues pruned to eliminate duplicates Z: 25 31.108 2.080 0.663 0.918 0.958 0.667 CB 1.351 25 residues pruned to eliminate duplicates Z: 7 5.466 1.578 0.013 0.861 1.000 1.000 CB 1.026 7 residues pruned to eliminate duplicates Z: 16 18.310 2.031 0.453 0.897 0.933 0.600 CB 1.228 16 residues pruned to eliminate duplicates Z: 20 29.202 2.125 0.643 0.908 1.000 0.474 CB 1.363 20 residues pruned to eliminate duplicates Z: 10 14.318 1.889 0.353 0.880 0.889 0.556 CB 1.523 11 residues pruned to eliminate duplicates Z: 10 12.635 1.888 0.220 0.867 1.000 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 7 5.498 1.683 0.371 0.545 0.833 0.833 CB 1.116 Z: 11 22.587 1.870 1.053 0.916 1.000 0.700 CB 1.314 11 residues pruned to eliminate duplicates Z: 6 6.270 1.754 0.470 0.787 0.800 0.400 CA 1.056 6 residues pruned to eliminate duplicates Z: 9 10.126 1.794 0.417 0.492 1.000 1.000 CA 1.419 Z: 12 20.087 2.055 0.573 0.906 0.909 0.818 CB 1.467 12 residues pruned to eliminate duplicates Z: 9 11.748 1.922 0.051 0.888 1.000 0.875 CB 1.481 9 residues pruned to eliminate duplicates Z: 14 25.366 1.968 1.151 0.883 0.846 0.538 CA 1.421 14 residues pruned to eliminate duplicates Z: 11 9.952 1.713 0.273 0.816 0.900 0.600 CB 1.219 11 residues pruned to eliminate duplicates Z: 8 2.490 1.580 -0.241 0.455 1.000 0.571 CB 0.822 Z: 13 24.017 1.952 0.784 0.913 1.000 0.833 CA 1.409 13 residues pruned to eliminate duplicates Z: 13 19.794 2.012 0.703 0.874 1.000 0.750 CA 1.214 13 residues pruned to eliminate duplicates Z: 9 2.258 1.505 -0.183 0.351 0.875 0.500 CA 0.872 9 residues pruned to eliminate duplicates Z: 11 17.753 1.970 0.370 0.877 1.000 0.600 CA 1.510 11 residues pruned to eliminate duplicates Z: 11 11.634 1.723 0.309 0.842 1.000 0.400 CB 1.216 11 residues pruned to eliminate duplicates Z: 17 13.672 1.717 0.809 0.822 0.875 0.562 CB 0.951 17 residues pruned to eliminate duplicates Z: 11 26.446 1.940 1.123 0.925 1.000 0.800 CA 1.425 11 residues pruned to eliminate duplicates Z: 51 25.705 1.966 0.464 0.492 0.880 0.560 CB 1.447 53 residues pruned to eliminate duplicates Z: 28 20.377 1.925 0.628 0.583 0.926 0.556 CA 1.247 28 residues pruned to eliminate duplicates Z: 9 7.780 1.706 0.290 0.633 0.875 0.375 CA 1.261 9 residues pruned to eliminate duplicates Z: 9 9.650 1.567 0.352 0.857 1.000 0.625 CA 1.187 9 residues pruned to eliminate duplicates Z: 8 5.951 1.594 0.331 0.458 1.000 0.714 CB 1.107 8 residues pruned to eliminate duplicates Z: 12 18.605 1.992 0.641 0.831 1.000 0.455 CB 1.289 12 residues pruned to eliminate duplicates Z: 23 29.492 2.108 0.499 0.929 1.000 0.864 CA 1.392 23 residues pruned to eliminate duplicates Z: 13 13.633 1.842 0.229 0.883 1.000 0.917 CA 1.257 13 residues pruned to eliminate duplicates Z: 10 4.761 1.698 0.468 0.405 0.889 0.556 CB 0.791 7 residues pruned to eliminate duplicates Z: 15 14.034 2.011 0.301 0.749 0.929 0.929 CA 1.237 15 residues pruned to eliminate duplicates Z: 23 25.170 1.929 0.845 0.919 0.909 0.364 CB 1.169 23 residues pruned to eliminate duplicates Z: 12 20.570 1.959 0.672 0.845 0.909 0.818 CB 1.549 12 residues pruned to eliminate duplicates Z: 17 22.766 2.036 0.474 0.895 1.000 0.750 CB 1.359 17 residues pruned to eliminate duplicates Z: 13 18.714 1.865 0.546 0.889 1.000 0.917 CA 1.348 13 residues pruned to eliminate duplicates Z: 7 9.257 1.971 0.264 0.480 1.000 0.833 CB 1.548 8 residues pruned to eliminate duplicates Z: 33 20.724 1.942 0.444 0.586 0.875 0.688 CB 1.375 28 residues pruned to eliminate duplicates Z: 26 30.402 2.052 0.639 0.925 0.960 0.760 CB 1.322 26 residues pruned to eliminate duplicates Z: 14 20.583 1.845 0.932 0.893 0.923 0.538 CA 1.246 13 residues pruned to eliminate duplicates Z: 11 9.545 1.772 0.113 0.810 0.900 0.800 CA 1.298 11 residues pruned to eliminate duplicates Z: 16 17.113 2.026 0.145 0.883 0.933 0.600 CB 1.475 16 residues pruned to eliminate duplicates Z: 21 25.249 2.117 0.368 0.920 1.000 0.700 CA 1.373 21 residues pruned to eliminate duplicates Z: 7 15.558 2.194 0.563 0.830 1.000 0.667 CA 1.393 7 residues pruned to eliminate duplicates Z: 6 5.031 1.886 0.133 0.753 0.800 0.600 CB 1.051 5 residues pruned to eliminate duplicates Z: 11 9.137 1.714 0.061 0.891 1.000 0.800 CA 1.142 11 residues pruned to eliminate duplicates Z: 7 6.469 1.650 0.506 0.652 0.833 0.667 CB 1.107 10 residues pruned to eliminate duplicates Z: 7 5.742 1.645 0.766 0.791 0.667 0.333 CA 0.938 7 residues pruned to eliminate duplicates Z: 10 19.251 2.022 0.583 0.910 1.000 1.000 CA 1.422 10 residues pruned to eliminate duplicates Z: 22 28.868 2.163 0.410 0.920 1.000 0.857 CA 1.455 22 residues pruned to eliminate duplicates Z: 11 22.676 1.928 0.848 0.866 1.000 0.800 CA 1.473 11 residues pruned to eliminate duplicates Z: 11 20.083 1.923 0.827 0.872 0.900 0.700 CA 1.463 11 residues pruned to eliminate duplicates Z: 17 20.569 1.951 0.313 0.906 1.000 0.875 CB 1.427 17 residues pruned to eliminate duplicates Z: 14 21.648 1.988 0.923 0.839 1.000 0.538 CB 1.173 14 residues pruned to eliminate duplicates Z: 14 4.700 1.575 0.149 0.535 0.615 0.538 N 1.131 13 residues pruned to eliminate duplicates Z: 13 28.280 2.140 0.822 0.927 1.000 0.333 CA 1.467 13 residues pruned to eliminate duplicates Z: 9 12.026 1.790 0.790 0.576 1.000 0.625 CB 1.234 Z: 6 2.955 1.483 0.429 0.436 0.600 0.600 CA 1.111 6 residues pruned to eliminate duplicates Z: 17 21.981 2.078 0.759 0.715 0.938 0.812 CA 1.319 20 residues pruned to eliminate duplicates Z: 12 25.893 2.183 0.859 0.894 1.000 0.727 CA 1.380 12 residues pruned to eliminate duplicates Z: 11 13.738 1.746 0.520 0.783 1.000 0.500 CB 1.276 11 residues pruned to eliminate duplicates Z: 6 8.419 1.881 0.624 0.619 1.000 0.800 CB 1.102 6 residues pruned to eliminate duplicates Z: 11 15.879 1.976 0.730 0.825 0.900 0.600 CA 1.232 11 residues pruned to eliminate duplicates Z: 20 19.661 1.937 0.333 0.923 1.000 0.947 CA 1.228 20 residues pruned to eliminate duplicates Z: 52 32.738 2.023 0.566 0.611 0.902 0.706 CB 1.444 52 residues pruned to eliminate duplicates Z: 7 3.598 1.576 -0.093 0.590 1.000 0.500 CB 0.944 Z: 13 27.147 2.075 0.757 0.934 1.000 0.500 CA 1.499 13 residues pruned to eliminate duplicates Z: 13 29.953 2.157 0.917 0.939 1.000 0.917 CB 1.454 13 residues pruned to eliminate duplicates Z: 15 6.022 1.741 0.310 0.295 0.857 0.571 CB 1.036 6 residues pruned to eliminate duplicates Z: 13 24.755 1.944 0.974 0.911 1.000 0.667 CA 1.320 13 residues pruned to eliminate duplicates Z: 25 31.712 2.074 0.582 0.924 1.000 0.792 CA 1.385 25 residues pruned to eliminate duplicates Z: 11 23.917 2.323 0.464 0.905 1.000 0.600 CB 1.582 11 residues pruned to eliminate duplicates Z: 24 13.596 1.781 0.354 0.623 0.870 0.696 CA 1.204 24 residues pruned to eliminate duplicates Z: 22 27.085 2.204 0.269 0.934 1.000 0.857 CA 1.474 22 residues pruned to eliminate duplicates Z: 9 4.812 1.719 0.437 0.276 0.750 0.375 CB 1.183 Z: 6 2.142 1.877 -0.040 0.291 0.600 0.400 CA 1.120 6 residues pruned to eliminate duplicates Z: 12 16.997 1.696 0.512 0.888 1.000 0.818 CB 1.440 11 residues pruned to eliminate duplicates Z: 33 13.575 1.653 0.390 0.444 0.906 0.625 CB 1.221 32 residues pruned to eliminate duplicates Z: 9 6.366 1.563 0.097 0.756 0.875 0.875 CB 1.194 8 residues pruned to eliminate duplicates Z: 12 25.684 2.117 0.896 0.905 1.000 0.727 CB 1.373 12 residues pruned to eliminate duplicates Z: 25 21.890 1.968 0.593 0.628 1.000 0.667 CB 1.263 23 residues pruned to eliminate duplicates Z: 9 18.026 2.024 0.596 0.928 1.000 1.000 CB 1.381 9 residues pruned to eliminate duplicates Z: 11 20.860 2.135 0.828 0.883 1.000 0.700 CB 1.222 11 residues pruned to eliminate duplicates Z: 14 17.533 2.044 0.564 0.902 0.923 0.769 CA 1.175 14 residues pruned to eliminate duplicates Z: 20 25.028 2.204 0.749 0.547 0.895 0.579 CB 1.589 20 residues pruned to eliminate duplicates Z: 7 7.191 1.705 0.341 0.710 1.000 0.833 CA 1.061 6 residues pruned to eliminate duplicates Z: 13 6.053 1.537 0.507 0.355 0.833 0.667 CB 1.059 Z: 11 6.351 1.838 0.206 0.461 0.800 0.400 CB 1.179 11 residues pruned to eliminate duplicates Z: 14 23.882 1.973 1.022 0.867 0.923 0.308 CA 1.315 14 residues pruned to eliminate duplicates Z: 8 9.796 1.681 0.328 0.885 1.000 1.000 CB 1.198 8 residues pruned to eliminate duplicates Z: 13 19.706 1.892 0.703 0.894 1.000 0.833 CB 1.267 13 residues pruned to eliminate duplicates Z: 10 12.641 1.765 0.475 0.890 1.000 0.778 CA 1.164 10 residues pruned to eliminate duplicates Z: 25 31.312 2.075 0.722 0.914 1.000 0.375 CB 1.265 25 residues pruned to eliminate duplicates Z: 22 29.483 2.155 0.574 0.925 0.952 0.714 CA 1.398 22 residues pruned to eliminate duplicates Z: 15 11.133 1.796 0.460 0.510 0.929 0.786 CA 1.210 11 residues pruned to eliminate duplicates Z: 12 16.680 1.950 1.023 0.818 0.818 0.545 CB 1.182 12 residues pruned to eliminate duplicates Z: 8 8.463 1.745 0.270 0.869 0.857 0.857 CB 1.230 8 residues pruned to eliminate duplicates Z: 27 17.812 1.850 0.597 0.601 0.885 0.423 CB 1.213 27 residues pruned to eliminate duplicates Z: 13 18.168 2.066 0.241 0.870 1.000 0.667 CB 1.493 13 residues pruned to eliminate duplicates Z: 7 5.331 1.816 0.370 0.397 0.833 0.500 CB 1.171 7 residues pruned to eliminate duplicates Z: 12 15.750 1.646 0.679 0.830 1.000 0.636 CA 1.292 12 residues pruned to eliminate duplicates Z: 11 25.600 1.929 1.107 0.842 1.000 0.700 CA 1.484 11 residues pruned to eliminate duplicates Z: 9 6.009 1.509 0.532 0.542 0.875 0.250 CA 1.008 Z: 22 32.312 2.062 0.913 0.941 1.000 0.333 CB 1.240 22 residues pruned to eliminate duplicates Z: 17 22.712 2.044 0.440 0.878 1.000 0.875 CB 1.400 17 residues pruned to eliminate duplicates Z: 9 10.978 1.903 0.158 0.791 1.000 0.625 CB 1.364 10 residues pruned to eliminate duplicates Z: 7 10.858 1.964 0.346 0.784 0.833 0.500 CB 1.567 7 residues pruned to eliminate duplicates Z: 12 25.625 2.010 0.984 0.897 1.000 0.364 CA 1.387 12 residues pruned to eliminate duplicates Z: 13 10.519 1.866 0.125 0.848 0.917 0.500 CB 1.171 13 residues pruned to eliminate duplicates Z: 13 24.962 2.068 0.903 0.898 1.000 0.417 CA 1.309 13 residues pruned to eliminate duplicates Z: 13 31.966 2.144 1.015 0.908 1.000 0.917 CA 1.517 13 residues pruned to eliminate duplicates Z: 21 30.583 2.084 0.745 0.940 1.000 0.550 CB 1.306 21 residues pruned to eliminate duplicates Z: 10 10.529 2.016 0.139 0.792 1.000 1.000 CA 1.183 10 residues pruned to eliminate duplicates Z: 21 28.161 2.029 0.885 0.649 0.900 0.600 CB 1.593 21 residues pruned to eliminate duplicates Z: 25 29.456 2.069 0.542 0.931 1.000 0.708 CB 1.317 25 residues pruned to eliminate duplicates Z: 17 24.988 1.972 0.860 0.887 1.000 0.500 CB 1.228 16 residues pruned to eliminate duplicates Z: 12 17.753 1.945 0.500 0.862 1.000 0.545 CA 1.347 12 residues pruned to eliminate duplicates Z: 17 17.475 1.961 0.260 0.882 0.938 0.562 CB 1.365 17 residues pruned to eliminate duplicates Z: 28 16.373 1.770 0.537 0.503 0.926 0.593 CB 1.246 23 residues pruned to eliminate duplicates Z: 50 35.324 2.031 0.727 0.689 0.898 0.490 CB 1.347 50 residues pruned to eliminate duplicates Z: 7 2.661 1.646 0.181 0.570 0.500 0.500 CB 1.045 Z: 12 20.379 2.031 0.511 0.929 1.000 0.909 CA 1.401 12 residues pruned to eliminate duplicates Z: 6 6.753 1.831 0.089 0.692 1.000 0.600 N 1.270 7 residues pruned to eliminate duplicates Z: 12 19.073 1.997 0.727 0.885 1.000 0.727 CA 1.204 12 residues pruned to eliminate duplicates Z: 11 11.904 1.957 0.480 0.735 0.800 0.800 CB 1.315 11 residues pruned to eliminate duplicates Z: 11 17.091 2.070 0.478 0.925 1.000 1.000 CB 1.239 11 residues pruned to eliminate duplicates Z: 19 14.875 1.974 0.395 0.665 0.889 0.833 CB 1.229 19 residues pruned to eliminate duplicates Z: 26 25.531 2.013 0.413 0.905 0.960 0.680 CA 1.332 26 residues pruned to eliminate duplicates Z: 27 12.304 1.698 0.657 0.460 0.769 0.385 CB 1.162 27 residues pruned to eliminate duplicates Z: 11 9.578 1.771 0.525 0.590 0.800 0.500 CA 1.285 11 residues pruned to eliminate duplicates Z: 9 10.190 1.717 0.342 0.864 0.875 0.625 CB 1.310 9 residues pruned to eliminate duplicates Z: 14 14.074 1.759 0.266 0.839 1.000 0.846 CA 1.309 14 residues pruned to eliminate duplicates Z: 29 18.635 1.920 0.523 0.441 0.929 0.464 CB 1.378 29 residues pruned to eliminate duplicates Z: 10 7.322 1.798 0.085 0.769 0.778 0.444 CB 1.267 10 residues pruned to eliminate duplicates Z: 27 28.362 2.028 0.550 0.919 0.923 0.577 CA 1.351 27 residues pruned to eliminate duplicates Z: 19 26.036 2.035 0.835 0.903 0.944 0.667 CB 1.241 19 residues pruned to eliminate duplicates Z: 7 5.963 1.703 0.589 0.547 1.000 0.833 CB 0.859 7 residues pruned to eliminate duplicates Z: 12 29.414 1.996 1.143 0.899 1.000 0.909 CA 1.482 12 residues pruned to eliminate duplicates Z: 8 3.712 1.617 0.098 0.346 0.714 0.429 C 1.307 8 residues pruned to eliminate duplicates Z: 9 7.989 1.791 0.143 0.621 1.000 0.375 CB 1.231 9 residues pruned to eliminate duplicates Z: 6 7.701 1.615 0.516 0.819 1.000 0.800 CB 1.066 6 residues pruned to eliminate duplicates Z: 8 8.649 1.716 0.559 0.858 1.000 0.286 CB 0.900 Z: 13 11.517 1.971 -0.144 0.901 1.000 1.000 CA 1.406 13 residues pruned to eliminate duplicates Z: 28 23.310 1.914 0.807 0.670 0.963 0.593 CB 1.151 27 residues pruned to eliminate duplicates Z: 26 9.794 1.711 0.243 0.308 0.880 0.560 CB 1.296 26 residues pruned to eliminate duplicates Z: 8 4.030 1.451 0.593 0.277 0.714 0.429 CA 1.188 8 residues pruned to eliminate duplicates Z: 25 22.223 2.036 0.215 0.896 1.000 0.750 CB 1.313 25 residues pruned to eliminate duplicates Z: 14 22.478 2.011 0.484 0.918 1.000 0.769 CA 1.474 14 residues pruned to eliminate duplicates Z: 10 11.665 1.932 0.213 0.873 1.000 0.667 CA 1.209 10 residues pruned to eliminate duplicates Z: 13 21.390 1.899 0.777 0.883 1.000 0.667 CA 1.323 13 residues pruned to eliminate duplicates Z: 11 15.609 1.756 0.483 0.924 1.000 0.800 CB 1.332 11 residues pruned to eliminate duplicates Z: 17 38.938 2.221 1.056 0.938 1.000 0.375 CB 1.483 17 residues pruned to eliminate duplicates Z: 12 4.451 1.700 0.211 0.265 0.818 0.636 CB 1.040 12 residues pruned to eliminate duplicates Z: 10 3.418 1.591 0.226 0.449 0.889 0.667 CB 0.692 Z: 9 11.711 1.786 0.617 0.729 0.875 0.375 CA 1.333 9 residues pruned to eliminate duplicates Z: 16 19.398 1.991 0.620 0.892 0.933 0.800 CB 1.195 16 residues pruned to eliminate duplicates Z: 6 6.323 1.396 0.975 0.698 0.800 0.800 CA 1.070 6 residues pruned to eliminate duplicates Z: 10 8.898 1.679 0.366 0.840 0.889 0.333 CB 1.085 10 residues pruned to eliminate duplicates Z: 6 3.478 1.595 0.147 0.465 1.000 0.600 CB 0.881 Z: 7 6.954 1.649 0.160 0.897 1.000 1.000 CB 1.062 7 residues pruned to eliminate duplicates Z: 17 22.395 2.028 0.521 0.892 1.000 0.750 CB 1.304 17 residues pruned to eliminate duplicates Z: 24 25.260 2.089 0.801 0.502 0.913 0.652 CA 1.530 24 residues pruned to eliminate duplicates Z: 9 9.201 1.591 0.620 0.529 1.000 0.750 CA 1.226 8 residues pruned to eliminate duplicates Z: 43 26.798 1.948 0.476 0.709 0.881 0.500 CB 1.351 43 residues pruned to eliminate duplicates Z: 11 11.856 1.699 0.599 0.836 1.000 0.400 CB 1.033 7 residues pruned to eliminate duplicates Z: 10 7.127 1.765 0.323 0.817 0.889 0.778 CB 0.869 10 residues pruned to eliminate duplicates Z: 28 19.652 1.723 0.645 0.588 1.000 0.741 CA 1.226 28 residues pruned to eliminate duplicates Z: 11 10.612 1.658 0.360 0.906 1.000 0.700 CB 1.058 10 residues pruned to eliminate duplicates Z: 40 23.346 1.950 0.579 0.541 0.872 0.462 CB 1.338 40 residues pruned to eliminate duplicates Z: 11 5.448 1.873 0.481 0.234 0.700 0.400 CB 1.208 11 residues pruned to eliminate duplicates Z: 12 15.394 1.796 0.826 0.801 0.909 0.727 CA 1.197 12 residues pruned to eliminate duplicates Z: 11 10.673 1.788 0.552 0.581 1.000 0.900 CA 1.125 11 residues pruned to eliminate duplicates Z: 12 21.702 2.282 0.501 0.904 1.000 0.545 CB 1.360 12 residues pruned to eliminate duplicates Z: 7 6.630 1.859 0.109 0.849 1.000 0.833 CB 0.974 7 residues pruned to eliminate duplicates Z: 14 12.700 1.763 0.453 0.566 0.923 0.538 N 1.397 14 residues pruned to eliminate duplicates Z: 11 10.479 1.618 0.598 0.875 1.000 0.900 CA 0.932 11 residues pruned to eliminate duplicates Z: 13 13.234 1.856 0.673 0.679 0.833 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 12 22.525 1.986 0.926 0.901 0.909 0.455 CB 1.393 12 residues pruned to eliminate duplicates Z: 8 5.448 1.787 0.476 0.520 0.857 0.571 CB 0.893 8 residues pruned to eliminate duplicates Z: 10 21.653 2.257 0.722 0.913 0.889 0.222 CB 1.479 10 residues pruned to eliminate duplicates Z: 26 21.295 1.849 0.832 0.647 0.960 0.600 CA 1.142 26 residues pruned to eliminate duplicates Z: 11 8.372 1.850 0.416 0.321 1.000 0.600 CB 1.231 16 residues pruned to eliminate duplicates Z: 25 29.377 2.099 0.489 0.914 0.958 0.708 CB 1.416 25 residues pruned to eliminate duplicates Z: 35 28.667 2.003 0.408 0.786 0.941 0.559 CA 1.441 35 residues pruned to eliminate duplicates 6 1.053 1.408 -0.265 0.450 0.600 0.600 CB 0.798 ? Z: 25 27.092 2.060 0.606 0.903 0.917 0.417 CB 1.299 25 residues pruned to eliminate duplicates Z: 12 20.332 2.135 0.425 0.902 1.000 0.727 CB 1.437 12 residues pruned to eliminate duplicates Z: 7 3.963 1.694 0.563 0.865 1.000 0.667 CB 0.447 7 residues pruned to eliminate duplicates Z: 25 21.870 2.064 0.512 0.516 0.875 0.583 CB 1.609 25 residues pruned to eliminate duplicates Z: 18 25.820 1.941 0.645 0.906 1.000 0.706 CB 1.395 18 residues pruned to eliminate duplicates Z: 15 8.824 1.719 0.377 0.573 0.929 0.429 CB 1.000 15 residues pruned to eliminate duplicates Z: 9 10.176 1.637 0.455 0.782 1.000 0.750 CB 1.179 9 residues pruned to eliminate duplicates Z: 17 10.850 1.807 0.300 0.555 0.938 0.625 CB 1.168 17 residues pruned to eliminate duplicates Z: 13 19.423 1.950 0.606 0.901 1.000 0.833 CB 1.278 13 residues pruned to eliminate duplicates Z: 13 18.639 1.944 0.717 0.880 0.917 0.750 CB 1.274 13 residues pruned to eliminate duplicates Z: 11 13.610 2.070 0.421 0.904 1.000 0.300 CB 1.042 11 residues pruned to eliminate duplicates Z: 11 17.430 1.846 0.636 0.851 1.000 0.700 CB 1.351 11 residues pruned to eliminate duplicates Z: 7 8.130 1.909 0.274 0.868 1.000 0.833 CB 0.998 7 residues pruned to eliminate duplicates Z: 17 15.538 1.723 0.654 0.595 0.938 0.812 CA 1.328 17 residues pruned to eliminate duplicates Z: 26 20.002 1.944 0.717 0.621 0.840 0.760 CB 1.273 26 residues pruned to eliminate duplicates Z: 13 21.294 2.047 0.619 0.894 0.917 0.917 CA 1.452 13 residues pruned to eliminate duplicates Z: 7 16.888 2.039 0.673 0.879 1.000 0.833 CA 1.465 7 residues pruned to eliminate duplicates Z: 23 19.968 1.982 0.585 0.666 0.909 0.591 CB 1.279 23 residues pruned to eliminate duplicates Z: 11 16.941 2.011 0.317 0.887 1.000 0.800 CB 1.457 11 residues pruned to eliminate duplicates Z: 8 6.114 1.645 0.280 0.472 1.000 0.714 CA 1.128 8 residues pruned to eliminate duplicates Z: 13 16.805 2.153 0.261 0.805 0.917 0.667 CA 1.494 13 residues pruned to eliminate duplicates Z: 51 27.306 1.918 0.577 0.605 0.880 0.500 CB 1.314 51 residues pruned to eliminate duplicates Z: 8 2.181 1.398 0.052 0.281 0.714 0.429 N 1.004 8 residues pruned to eliminate duplicates Z: 6 6.810 1.852 -0.029 0.669 1.000 0.800 CB 1.448 6 residues pruned to eliminate duplicates Z: 6 6.676 1.838 -0.056 0.842 1.000 0.800 CA 1.282 6 residues pruned to eliminate duplicates Z: 10 7.287 1.694 0.106 0.861 1.000 0.778 CA 0.953 10 residues pruned to eliminate duplicates Z: 7 11.209 1.642 0.793 0.876 0.833 0.500 CA 1.356 7 residues pruned to eliminate duplicates Z: 10 9.352 1.691 0.586 0.466 0.889 0.556 CA 1.353 10 residues pruned to eliminate duplicates 6 1.231 1.370 0.313 0.296 0.600 0.400 CB 0.641 ? Z: 9 2.072 1.472 0.094 0.462 0.875 0.375 CB 0.541 Z: 12 16.545 1.912 0.558 0.859 0.909 0.636 CA 1.355 12 residues pruned to eliminate duplicates Z: 12 18.913 1.982 0.861 0.904 1.000 0.636 CA 1.101 12 residues pruned to eliminate duplicates Z: 11 11.983 1.727 0.173 0.874 1.000 0.700 CB 1.361 11 residues pruned to eliminate duplicates Z: 14 22.575 1.807 0.901 0.907 1.000 0.538 CB 1.295 14 residues pruned to eliminate duplicates Z: 8 2.552 1.293 0.302 0.325 0.714 0.429 O 0.971 Z: 6 2.804 1.513 0.034 0.829 0.800 0.600 CB 0.755 6 residues pruned to eliminate duplicates 6 1.556 1.205 0.280 0.298 0.800 0.400 CB 0.706 ? Z: 24 23.138 1.967 0.541 0.758 0.957 0.652 CB 1.322 24 residues pruned to eliminate duplicates Z: 7 3.747 1.600 0.255 0.414 0.833 0.667 C 1.000 8 residues pruned to eliminate duplicates Z: 12 13.231 1.658 0.739 0.858 1.000 0.818 CB 1.019 11 residues pruned to eliminate duplicates Z: 11 16.663 1.958 0.693 0.831 1.000 0.700 CA 1.195 11 residues pruned to eliminate duplicates Z: 43 25.193 1.975 0.356 0.752 0.929 0.667 CB 1.249 43 residues pruned to eliminate duplicates Z: 7 6.327 1.704 0.626 0.473 0.833 0.500 CB 1.150 7 residues pruned to eliminate duplicates Z: 66 38.181 2.077 0.590 0.628 0.908 0.538 CB 1.401 66 residues pruned to eliminate duplicates Z: 55 26.560 1.914 0.674 0.530 0.870 0.389 CB 1.258 55 residues pruned to eliminate duplicates Z: 12 11.044 1.692 0.461 0.836 1.000 0.727 CB 1.009 12 residues pruned to eliminate duplicates 7 1.922 1.490 0.290 0.190 0.667 0.500 CB 0.888 ? Z: 16 22.115 2.028 0.760 0.833 1.000 0.600 CB 1.201 16 residues pruned to eliminate duplicates Z: 11 9.260 1.852 0.155 0.809 0.800 0.600 CB 1.307 10 residues pruned to eliminate duplicates Z: 10 7.368 1.735 0.351 0.501 0.889 0.778 CB 1.177 10 residues pruned to eliminate duplicates Z: 6 3.842 1.602 -0.052 0.497 1.000 0.600 CB 1.135 Z: 9 14.596 1.953 0.529 0.784 1.000 0.750 CB 1.345 9 residues pruned to eliminate duplicates Z: 38 22.662 1.979 0.382 0.675 0.919 0.541 CB 1.261 39 residues pruned to eliminate duplicates Z: 13 6.806 1.486 0.541 0.282 0.917 0.500 CB 1.196 13 residues pruned to eliminate duplicates Z: 9 14.574 1.942 0.480 0.710 1.000 0.625 CB 1.482 9 residues pruned to eliminate duplicates Z: 25 28.139 2.070 0.647 0.932 1.000 0.333 CB 1.177 25 residues pruned to eliminate duplicates Z: 8 6.934 1.824 0.235 0.855 1.000 0.714 CB 0.858 8 residues pruned to eliminate duplicates Z: 12 15.744 1.828 0.788 0.899 1.000 0.818 CB 1.038 12 residues pruned to eliminate duplicates Z: 10 17.578 1.793 0.752 0.851 1.000 0.444 CB 1.380 10 residues pruned to eliminate duplicates Z: 12 18.396 1.827 0.742 0.749 1.000 0.818 CA 1.396 12 residues pruned to eliminate duplicates Z: 8 4.186 1.580 -0.008 0.441 0.857 0.571 CB 1.251 8 residues pruned to eliminate duplicates Z: 14 24.865 2.115 0.630 0.907 1.000 0.846 CA 1.422 14 residues pruned to eliminate duplicates Z: 8 11.112 1.989 0.746 0.827 0.857 0.714 CA 1.063 8 residues pruned to eliminate duplicates Z: 12 11.295 1.645 0.630 0.847 1.000 0.818 CB 0.942 12 residues pruned to eliminate duplicates Z: 11 12.214 1.680 0.698 0.917 1.000 1.000 CA 0.955 11 residues pruned to eliminate duplicates Z: 11 27.431 2.183 0.869 0.920 1.000 0.600 CB 1.497 11 residues pruned to eliminate duplicates Z: 6 7.158 2.033 0.266 0.438 1.000 0.800 CA 1.325 5 residues pruned to eliminate duplicates Z: 9 8.624 1.827 0.263 0.872 0.875 0.625 CB 1.101 9 residues pruned to eliminate duplicates Z: 10 15.338 2.136 0.427 0.841 0.889 0.778 CA 1.407 10 residues pruned to eliminate duplicates Z: 7 3.726 1.573 0.051 0.798 1.000 0.833 CB 0.709 Z: 9 11.102 1.938 0.193 0.527 1.000 0.500 CB 1.653 9 residues pruned to eliminate duplicates Z: 6 5.156 1.559 0.409 0.644 1.000 0.600 CA 0.918 6 residues pruned to eliminate duplicates Z: 9 5.244 1.472 -0.076 0.793 1.000 0.750 CA 1.054 9 residues pruned to eliminate duplicates Z: 16 4.257 1.561 0.088 0.177 0.933 0.467 CB 1.025 16 residues pruned to eliminate duplicates Z: 10 10.195 1.728 0.318 0.905 1.000 1.000 CB 1.062 10 residues pruned to eliminate duplicates Z: 11 14.289 1.750 0.378 0.874 1.000 0.800 CB 1.363 11 residues pruned to eliminate duplicates Z: 8 7.585 1.804 0.225 0.506 0.857 0.857 CA 1.505 8 residues pruned to eliminate duplicates Z: 22 17.217 1.760 0.465 0.841 0.952 0.714 CA 1.141 22 residues pruned to eliminate duplicates Z: 8 5.010 1.531 -0.069 0.800 1.000 0.857 CB 1.022 8 residues pruned to eliminate duplicates Z: 43 31.956 2.005 0.790 0.655 0.929 0.595 CB 1.281 46 residues pruned to eliminate duplicates Z: 37 20.496 1.694 0.662 0.509 0.917 0.667 CA 1.313 37 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 22.252 1.813 0.682 0.911 1.000 0.867 CB 1.335 16 residues pruned to eliminate duplicates Z: 14 20.101 2.025 0.953 0.715 0.846 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 15 16.087 1.843 0.909 0.692 0.857 0.429 CB 1.195 15 residues pruned to eliminate duplicates Z: 18 16.861 1.995 0.613 0.654 0.882 0.471 CB 1.248 18 residues pruned to eliminate duplicates Z: 14 16.177 1.934 0.810 0.736 0.846 0.692 CB 1.226 14 residues pruned to eliminate duplicates Z: 13 21.165 2.013 0.804 0.791 0.833 0.583 CB 1.564 13 residues pruned to eliminate duplicates Z: 13 20.193 2.062 0.894 0.766 0.833 0.583 CB 1.415 13 residues pruned to eliminate duplicates Z: 15 23.215 1.946 0.666 0.850 0.929 0.571 CB 1.526 15 residues pruned to eliminate duplicates Z: 13 21.347 2.029 0.862 0.774 0.917 0.583 CB 1.398 13 residues pruned to eliminate duplicates Z: 11 24.923 2.122 0.781 0.832 1.000 0.700 CA 1.566 12 residues pruned to eliminate duplicates Z: 12 17.093 1.944 0.613 0.799 0.909 0.818 CB 1.393 12 residues pruned to eliminate duplicates Z: 32 26.079 1.838 0.626 0.645 0.935 0.677 CA 1.464 33 residues pruned to eliminate duplicates Z: 6 3.359 1.429 0.200 0.403 1.000 0.800 CA 0.971 6 residues pruned to eliminate duplicates Z: 25 20.708 1.777 0.506 0.583 1.000 0.875 CA 1.457 25 residues pruned to eliminate duplicates Z: 17 21.164 1.809 0.831 0.622 1.000 0.812 CA 1.423 17 residues pruned to eliminate duplicates Z: 25 19.536 1.784 0.590 0.550 0.958 0.792 CA 1.397 25 residues pruned to eliminate duplicates Z: 25 19.906 1.778 0.689 0.545 0.958 0.792 CA 1.352 25 residues pruned to eliminate duplicates Z: 16 21.247 1.886 0.628 0.714 1.000 0.800 CA 1.471 16 residues pruned to eliminate duplicates Z: 25 16.934 1.784 0.480 0.575 0.958 0.833 CA 1.271 25 residues pruned to eliminate duplicates Z: 18 17.231 1.701 0.738 0.651 1.000 0.824 CA 1.228 18 residues pruned to eliminate duplicates Z: 23 15.694 1.771 0.379 0.593 0.864 0.591 CA 1.451 23 residues pruned to eliminate duplicates Z: 11 16.132 1.842 0.570 0.710 1.000 0.800 CA 1.458 11 residues pruned to eliminate duplicates Z: 17 17.315 1.794 0.673 0.710 0.938 0.625 CA 1.271 17 residues pruned to eliminate duplicates Z: 25 17.958 1.820 0.582 0.558 0.875 0.542 CA 1.374 25 residues pruned to eliminate duplicates Z: 36 19.219 1.765 0.553 0.474 0.886 0.686 CB 1.374 35 residues pruned to eliminate duplicates Z: 12 20.274 2.117 0.522 0.883 1.000 0.545 CB 1.372 12 residues pruned to eliminate duplicates Z: 72 38.736 1.973 0.727 0.660 0.944 0.535 CB 1.233 68 residues pruned to eliminate duplicates Z: 13 26.796 2.103 0.643 0.930 1.000 0.917 CA 1.566 13 residues pruned to eliminate duplicates Z: 27 25.659 1.974 0.673 0.709 0.923 0.731 CB 1.366 27 residues pruned to eliminate duplicates Z: 28 24.648 1.973 0.711 0.741 0.963 0.852 CB 1.176 28 residues pruned to eliminate duplicates Z: 14 18.793 2.013 0.628 0.770 0.923 0.462 CB 1.357 14 residues pruned to eliminate duplicates Z: 12 22.574 2.165 0.830 0.891 0.909 0.636 CB 1.359 12 residues pruned to eliminate duplicates Z: 14 23.756 1.993 0.776 0.861 0.923 0.923 CB 1.481 14 residues pruned to eliminate duplicates Z: 16 17.308 1.874 0.629 0.758 0.867 0.467 CA 1.343 16 residues pruned to eliminate duplicates Z: 82 44.059 2.001 0.718 0.677 0.926 0.617 CB 1.306 82 residues pruned to eliminate duplicates Z: 26 25.833 2.047 0.774 0.744 0.920 0.880 CB 1.243 26 residues pruned to eliminate duplicates Z: 25 22.173 1.967 0.490 0.767 0.917 0.708 CB 1.330 26 residues pruned to eliminate duplicates Z: 12 22.021 2.007 0.788 0.882 1.000 0.909 CA 1.339 12 residues pruned to eliminate duplicates Z: 12 20.828 2.012 0.675 0.916 1.000 0.818 CA 1.317 12 residues pruned to eliminate duplicates Z: 13 24.435 2.001 0.952 0.866 0.917 0.833 CA 1.443 13 residues pruned to eliminate duplicates Z: 24 26.582 1.996 0.576 0.785 1.000 0.522 CB 1.370 24 residues pruned to eliminate duplicates Z: 13 21.140 2.049 0.584 0.833 0.917 0.917 CA 1.539 13 residues pruned to eliminate duplicates Z: 26 27.313 1.929 0.657 0.777 1.000 0.760 CB 1.339 28 residues pruned to eliminate duplicates Z: 12 27.398 2.030 0.988 0.907 1.000 0.455 CA 1.455 12 residues pruned to eliminate duplicates Z: 14 19.226 1.974 0.791 0.824 0.846 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 24 30.597 2.030 0.677 0.804 0.957 0.739 CB 1.502 24 residues pruned to eliminate duplicates Z: 25 31.271 1.977 0.764 0.781 1.000 0.667 CB 1.428 25 residues pruned to eliminate duplicates Z: 27 26.709 1.883 0.773 0.710 0.923 0.577 CB 1.404 27 residues pruned to eliminate duplicates Z: 24 32.601 2.003 0.716 0.810 1.000 0.391 CB 1.510 24 residues pruned to eliminate duplicates Z: 25 24.734 1.960 0.616 0.774 0.875 0.625 CB 1.430 25 residues pruned to eliminate duplicates Z: 25 22.004 1.937 0.454 0.746 0.917 0.667 CB 1.396 25 residues pruned to eliminate duplicates Z: 25 26.513 1.963 0.783 0.769 0.833 0.458 CB 1.462 25 residues pruned to eliminate duplicates Z: 26 26.858 1.914 0.626 0.738 0.960 0.680 CB 1.452 26 residues pruned to eliminate duplicates Z: 25 29.175 1.989 0.639 0.782 0.917 0.708 CB 1.555 25 residues pruned to eliminate duplicates Z: 18 15.495 1.732 0.573 0.537 0.941 0.588 CB 1.414 17 residues pruned to eliminate duplicates Z: 11 15.847 1.764 0.655 0.898 0.900 0.700 CB 1.364 10 residues pruned to eliminate duplicates Z: 11 16.704 1.772 0.559 0.909 1.000 0.600 CB 1.358 11 residues pruned to eliminate duplicates Z: 14 11.926 1.685 0.471 0.623 0.923 0.385 CB 1.287 14 residues pruned to eliminate duplicates Z: 24 28.665 1.961 0.642 0.801 0.957 0.696 CA 1.492 24 residues pruned to eliminate duplicates Z: 14 11.555 1.856 0.559 0.586 0.846 0.615 CA 1.205 14 residues pruned to eliminate duplicates Z: 12 14.360 1.876 0.928 0.675 0.818 0.364 CB 1.246 12 residues pruned to eliminate duplicates Z: 12 13.699 1.906 0.861 0.737 1.000 0.545 CB 0.941 12 residues pruned to eliminate duplicates Z: 16 13.777 1.878 0.575 0.653 1.000 0.733 CB 1.043 16 residues pruned to eliminate duplicates Z: 16 11.929 1.895 0.554 0.572 0.800 0.600 CA 1.220 16 residues pruned to eliminate duplicates Z: 12 8.766 1.869 0.586 0.653 0.727 0.455 CA 1.063 12 residues pruned to eliminate duplicates Z: 13 12.946 1.823 0.814 0.612 0.833 0.250 CB 1.220 13 residues pruned to eliminate duplicates Z: 17 10.279 1.825 0.688 0.483 0.750 0.312 CB 1.131 17 residues pruned to eliminate duplicates Z: 16 12.095 1.845 0.685 0.538 0.933 0.467 CB 1.037 16 residues pruned to eliminate duplicates Z: 8 6.387 1.396 0.678 0.485 0.857 0.429 N 1.221 8 residues pruned to eliminate duplicates Z: 6 10.146 1.819 0.540 0.592 1.000 0.600 CA 1.484 6 residues pruned to eliminate duplicates Z: 26 16.662 1.756 0.443 0.514 0.960 0.720 CA 1.351 26 residues pruned to eliminate duplicates Z: 6 11.003 1.828 0.598 0.568 1.000 0.600 CA 1.578 9 residues pruned to eliminate duplicates Z: 6 4.419 1.845 0.508 0.270 0.800 0.400 CA 1.154 Z: 25 26.190 2.053 0.388 0.816 1.000 0.750 CB 1.425 25 residues pruned to eliminate duplicates Z: 26 27.893 2.066 0.621 0.674 0.960 0.640 CA 1.477 21 residues pruned to eliminate duplicates Z: 20 31.970 2.187 0.576 0.922 1.000 0.684 CB 1.496 20 residues pruned to eliminate duplicates Z: 25 25.250 2.080 0.528 0.701 0.958 0.625 CB 1.410 25 residues pruned to eliminate duplicates Z: 24 33.419 2.095 0.813 0.730 0.957 0.652 CA 1.559 24 residues pruned to eliminate duplicates Z: 25 26.769 2.007 0.814 0.760 0.875 0.667 CB 1.362 28 residues pruned to eliminate duplicates Z: 21 37.310 2.167 0.806 0.945 1.000 0.900 CB 1.476 23 residues pruned to eliminate duplicates Z: 24 33.577 2.031 0.810 0.905 1.000 0.696 CB 1.356 24 residues pruned to eliminate duplicates Z: 25 30.922 2.091 0.864 0.707 0.875 0.542 CB 1.533 25 residues pruned to eliminate duplicates Z: 26 30.914 2.050 0.789 0.726 0.960 0.600 CB 1.432 26 residues pruned to eliminate duplicates Z: 22 33.020 2.136 0.854 0.852 0.952 0.619 CB 1.414 22 residues pruned to eliminate duplicates Z: 23 31.556 2.146 0.841 0.782 0.864 0.545 CB 1.539 23 residues pruned to eliminate duplicates Z: 28 29.514 2.014 0.818 0.719 0.889 0.444 CB 1.431 28 residues pruned to eliminate duplicates Z: 20 40.212 2.205 1.107 0.903 0.947 0.474 CB 1.494 20 residues pruned to eliminate duplicates Z: 45 34.082 2.023 0.728 0.757 0.886 0.341 CB 1.319 47 residues pruned to eliminate duplicates Z: 23 38.906 2.108 0.976 0.940 1.000 0.682 CB 1.382 23 residues pruned to eliminate duplicates Z: 49 35.437 2.047 0.741 0.711 0.875 0.312 CB 1.354 49 residues pruned to eliminate duplicates Z: 24 29.236 2.071 0.813 0.750 0.913 0.652 CB 1.423 24 residues pruned to eliminate duplicates Z: 84 35.707 1.975 0.619 0.540 0.880 0.590 CB 1.340 84 residues pruned to eliminate duplicates Z: 45 31.146 2.004 0.818 0.680 0.818 0.432 CB 1.334 45 residues pruned to eliminate duplicates Z: 60 48.575 2.111 0.811 0.755 0.966 0.661 CB 1.364 60 residues pruned to eliminate duplicates Z: 39 22.418 1.877 0.748 0.607 0.816 0.474 CB 1.227 39 residues pruned to eliminate duplicates Z: 31 32.187 1.976 0.943 0.749 0.900 0.433 CB 1.361 31 residues pruned to eliminate duplicates Z: 28 24.248 1.908 0.869 0.632 0.889 0.444 CB 1.301 28 residues pruned to eliminate duplicates Z: 47 34.683 1.998 0.825 0.667 0.913 0.413 CB 1.316 47 residues pruned to eliminate duplicates Z: 49 42.729 2.055 0.938 0.722 0.938 0.458 CB 1.351 49 residues pruned to eliminate duplicates Z: 24 23.893 2.100 0.714 0.599 0.957 0.348 CB 1.316 24 residues pruned to eliminate duplicates Z: 44 33.777 2.032 0.842 0.649 0.907 0.558 CB 1.320 44 residues pruned to eliminate duplicates Z: 39 28.475 2.039 0.810 0.639 0.868 0.605 CB 1.265 39 residues pruned to eliminate duplicates Z: 36 31.400 2.051 0.823 0.620 0.857 0.514 CA 1.478 36 residues pruned to eliminate duplicates Z: 40 28.810 1.985 0.828 0.628 0.846 0.615 CB 1.332 40 residues pruned to eliminate duplicates Z: 46 38.492 2.063 0.878 0.683 0.889 0.400 CB 1.408 46 residues pruned to eliminate duplicates Z: 43 31.733 2.027 0.754 0.661 0.905 0.643 CB 1.311 43 residues pruned to eliminate duplicates Z: 24 22.192 2.072 0.864 0.614 0.913 0.565 CB 1.178 24 residues pruned to eliminate duplicates Z: 22 26.306 2.096 0.843 0.675 0.952 0.571 CB 1.328 22 residues pruned to eliminate duplicates Z: 50 32.665 2.063 0.770 0.703 0.857 0.449 CB 1.240 50 residues pruned to eliminate duplicates Z: 23 21.356 2.085 0.758 0.613 0.864 0.682 CB 1.292 23 residues pruned to eliminate duplicates Z: 11 24.680 2.228 0.908 0.854 1.000 0.700 CB 1.356 11 residues pruned to eliminate duplicates Z: 22 24.848 2.065 0.662 0.714 0.952 0.714 CB 1.367 22 residues pruned to eliminate duplicates Z: 69 46.085 2.047 0.819 0.715 0.941 0.603 CB 1.312 69 residues pruned to eliminate duplicates Z: 36 31.973 2.123 0.612 0.668 0.971 0.629 CA 1.392 36 residues pruned to eliminate duplicates Z: 26 30.055 2.187 0.772 0.718 0.920 0.680 CA 1.385 26 residues pruned to eliminate duplicates Z: 43 30.837 1.943 0.693 0.668 0.952 0.667 CB 1.301 36 residues pruned to eliminate duplicates Z: 11 19.842 2.182 0.504 0.841 1.000 0.600 CB 1.425 11 residues pruned to eliminate duplicates Z: 23 21.670 2.185 0.409 0.684 0.955 0.727 CA 1.328 23 residues pruned to eliminate duplicates Z: 25 35.860 2.241 0.786 0.756 1.000 0.750 CA 1.457 25 residues pruned to eliminate duplicates Z: 17 21.903 2.138 0.781 0.688 0.938 0.812 CA 1.291 17 residues pruned to eliminate duplicates Z: 24 32.356 2.209 0.861 0.743 0.957 0.913 CA 1.381 24 residues pruned to eliminate duplicates Z: 44 31.595 2.034 0.703 0.646 0.930 0.651 CB 1.305 45 residues pruned to eliminate duplicates Z: 12 14.554 2.153 0.238 0.901 1.000 0.909 CA 1.175 12 residues pruned to eliminate duplicates Z: 25 27.743 2.192 0.562 0.727 0.958 0.792 CA 1.407 25 residues pruned to eliminate duplicates Z: 12 17.823 2.185 0.507 0.750 0.909 0.818 CA 1.436 12 residues pruned to eliminate duplicates Z: 35 30.448 2.114 0.681 0.646 0.912 0.765 CA 1.407 35 residues pruned to eliminate duplicates Z: 32 28.235 2.088 0.609 0.691 0.903 0.581 CB 1.403 32 residues pruned to eliminate duplicates Z: 33 28.277 2.093 0.737 0.661 0.875 0.625 CB 1.353 33 residues pruned to eliminate duplicates Z: 12 18.530 2.215 0.494 0.869 0.909 0.545 CA 1.356 12 residues pruned to eliminate duplicates Z: 18 18.692 2.051 0.694 0.630 0.882 0.529 CB 1.309 18 residues pruned to eliminate duplicates Z: 25 26.973 2.135 0.721 0.704 0.917 0.542 CB 1.358 25 residues pruned to eliminate duplicates Z: 14 20.207 2.049 0.721 0.799 1.000 0.692 CA 1.224 14 residues pruned to eliminate duplicates Z: 24 10.118 1.674 0.266 0.440 0.870 0.478 CA 1.218 24 residues pruned to eliminate duplicates Z: 8 3.823 1.618 0.133 0.346 0.857 0.429 CA 1.086 8 residues pruned to eliminate duplicates Z: 9 5.641 1.760 0.238 0.365 0.750 0.250 CB 1.412 9 residues pruned to eliminate duplicates Z: 7 2.570 1.770 -0.141 0.284 0.667 0.333 N 1.321 7 residues pruned to eliminate duplicates Z: 18 7.606 1.669 0.183 0.308 1.000 0.529 CB 1.156 17 residues pruned to eliminate duplicates Z: 10 14.736 1.893 0.395 0.836 1.000 0.778 CB 1.393 8 residues pruned to eliminate duplicates Z: 11 11.588 1.723 0.431 0.789 1.000 0.900 CB 1.153 11 residues pruned to eliminate duplicates Z: 10 15.766 1.919 0.508 0.801 1.000 0.889 CB 1.396 10 residues pruned to eliminate duplicates Z: 10 18.391 1.936 0.674 0.812 1.000 0.667 CB 1.443 20 residues pruned to eliminate duplicates Z: 16 8.336 1.806 0.355 0.310 0.933 0.533 CB 1.162 12 residues pruned to eliminate duplicates Z: 7 4.776 1.708 0.062 0.470 1.000 1.000 CB 1.108 6 residues pruned to eliminate duplicates Z: 16 21.999 1.900 0.861 0.914 1.000 0.933 CA 1.137 16 residues pruned to eliminate duplicates Z: 14 23.823 2.103 1.047 0.844 0.846 0.769 CB 1.349 14 residues pruned to eliminate duplicates Z: 16 24.053 2.024 0.858 0.771 1.000 0.733 CB 1.299 16 residues pruned to eliminate duplicates Z: 44 19.818 1.817 0.480 0.584 0.930 0.721 CB 1.115 44 residues pruned to eliminate duplicates Z: 39 19.042 1.767 0.699 0.469 0.947 0.474 CB 1.121 39 residues pruned to eliminate duplicates Z: 17 19.027 1.986 0.896 0.750 0.875 0.312 CB 1.154 17 residues pruned to eliminate duplicates Z: 13 23.308 1.979 1.068 0.892 1.000 0.167 CB 1.181 13 residues pruned to eliminate duplicates Z: 28 20.970 1.894 0.665 0.653 0.926 0.593 CB 1.199 28 residues pruned to eliminate duplicates Z: 21 17.052 1.895 0.706 0.663 0.900 0.300 CB 1.126 21 residues pruned to eliminate duplicates Z: 15 23.050 1.994 1.017 0.781 0.929 0.214 CB 1.287 15 residues pruned to eliminate duplicates Z: 17 19.605 1.943 0.800 0.752 0.938 0.375 CB 1.194 17 residues pruned to eliminate duplicates Z: 14 21.221 2.007 1.041 0.853 0.846 0.308 CB 1.255 14 residues pruned to eliminate duplicates Z: 32 24.941 1.891 0.646 0.705 0.968 0.645 CA 1.233 32 residues pruned to eliminate duplicates Z: 29 22.457 1.915 0.715 0.624 0.893 0.464 CA 1.287 29 residues pruned to eliminate duplicates Z: 37 21.292 1.827 0.652 0.633 0.917 0.556 CB 1.132 37 residues pruned to eliminate duplicates Z: 26 22.075 1.940 0.690 0.630 0.920 0.480 CB 1.295 26 residues pruned to eliminate duplicates Z: 11 10.714 1.849 0.484 0.483 1.000 0.600 CA 1.255 11 residues pruned to eliminate duplicates Z: 38 21.398 1.790 0.808 0.520 0.892 0.378 CB 1.195 38 residues pruned to eliminate duplicates Z: 26 15.437 1.782 0.498 0.540 0.960 0.720 CB 1.159 29 residues pruned to eliminate duplicates Z: 6 8.092 1.709 0.840 0.432 1.000 0.800 CA 1.234 6 residues pruned to eliminate duplicates Z: 34 27.512 1.899 0.754 0.723 0.939 0.576 CB 1.251 34 residues pruned to eliminate duplicates Z: 10 11.382 1.847 0.814 0.469 1.000 0.778 CB 1.168 10 residues pruned to eliminate duplicates Z: 28 22.025 1.888 0.764 0.678 0.963 0.593 CB 1.121 28 residues pruned to eliminate duplicates Z: 16 11.173 1.720 0.504 0.517 1.000 0.733 CB 1.096 16 residues pruned to eliminate duplicates Z: 28 22.865 1.916 0.708 0.669 0.963 0.519 CB 1.194 28 residues pruned to eliminate duplicates Z: 23 15.495 1.834 0.638 0.544 0.909 0.591 CB 1.158 23 residues pruned to eliminate duplicates Z: 36 25.619 1.895 0.723 0.693 0.943 0.629 CB 1.180 36 residues pruned to eliminate duplicates Z: 28 19.326 1.753 0.656 0.638 0.963 0.704 CB 1.170 28 residues pruned to eliminate duplicates Z: 28 18.082 1.793 0.624 0.644 0.889 0.519 CB 1.175 28 residues pruned to eliminate duplicates Z: 33 17.331 1.750 0.530 0.587 0.969 0.594 CB 1.086 33 residues pruned to eliminate duplicates Z: 29 15.246 1.685 0.611 0.525 0.964 0.643 CB 1.074 27 residues pruned to eliminate duplicates Z: 10 7.835 1.571 0.584 0.774 0.889 0.556 CB 0.926 10 residues pruned to eliminate duplicates Z: 42 24.612 1.860 0.696 0.632 0.927 0.439 CB 1.162 44 residues pruned to eliminate duplicates Z: 6 4.801 1.575 0.709 0.415 1.000 0.600 CB 0.872 6 residues pruned to eliminate duplicates Z: 29 10.348 1.616 0.440 0.410 0.893 0.643 CA 1.034 29 residues pruned to eliminate duplicates Z: 10 15.660 2.026 0.421 0.838 1.000 0.778 CA 1.356 10 residues pruned to eliminate duplicates Z: 15 23.948 2.112 0.465 0.898 0.929 0.786 CA 1.594 15 residues pruned to eliminate duplicates Z: 15 14.721 2.039 0.071 0.859 0.929 0.643 CB 1.428 15 residues pruned to eliminate duplicates Z: 18 24.533 2.048 0.516 0.814 1.000 0.706 CB 1.458 18 residues pruned to eliminate duplicates Z: 17 20.493 1.994 0.337 0.826 1.000 0.688 CB 1.450 17 residues pruned to eliminate duplicates Z: 21 16.941 1.866 0.474 0.725 0.900 0.550 CB 1.249 21 residues pruned to eliminate duplicates Z: 18 18.839 1.974 0.598 0.707 0.824 0.706 CB 1.457 18 residues pruned to eliminate duplicates Z: 19 18.704 1.914 0.532 0.743 0.889 0.667 CB 1.360 20 residues pruned to eliminate duplicates Z: 17 19.197 1.952 0.569 0.879 0.875 0.688 CB 1.299 17 residues pruned to eliminate duplicates Z: 15 21.766 2.126 0.465 0.801 0.929 0.571 CA 1.547 15 residues pruned to eliminate duplicates Z: 16 25.921 2.081 0.657 0.869 1.000 0.667 CB 1.418 16 residues pruned to eliminate duplicates Z: 21 16.325 1.785 0.591 0.669 0.850 0.500 CB 1.294 21 residues pruned to eliminate duplicates Z: 20 21.422 1.925 0.594 0.718 0.947 0.579 CB 1.389 20 residues pruned to eliminate duplicates Z: 20 19.324 1.794 0.680 0.788 0.947 0.579 CB 1.205 20 residues pruned to eliminate duplicates Z: 21 22.069 1.818 0.736 0.709 1.000 0.550 CB 1.294 21 residues pruned to eliminate duplicates Z: 7 2.750 1.595 0.206 0.083 0.833 0.333 CA 1.200 7 residues pruned to eliminate duplicates Z: 6 3.098 1.498 0.397 0.230 0.800 0.400 CA 1.134 6 residues pruned to eliminate duplicates Z: 9 7.846 1.715 0.655 0.372 1.000 0.875 CB 1.121 9 residues pruned to eliminate duplicates Z: 10 4.889 1.536 0.417 0.320 0.889 0.556 CB 1.027 10 residues pruned to eliminate duplicates Z: 11 6.753 1.562 0.517 0.359 1.000 0.400 CB 1.048 12 residues pruned to eliminate duplicates Z: 11 10.148 1.674 0.236 0.902 1.000 0.600 CB 1.106 11 residues pruned to eliminate duplicates Z: 10 8.500 1.574 0.914 0.706 0.889 0.556 CB 0.877 10 residues pruned to eliminate duplicates Z: 43 30.742 2.017 0.462 0.750 0.976 0.667 CB 1.318 45 residues pruned to eliminate duplicates Z: 8 8.533 1.782 0.571 0.904 1.000 1.000 CB 0.820 7 residues pruned to eliminate duplicates Z: 10 11.822 1.764 0.389 0.911 1.000 0.889 CB 1.140 9 residues pruned to eliminate duplicates Z: 10 10.530 1.755 0.408 0.864 1.000 0.444 CB 1.042 10 residues pruned to eliminate duplicates Z: 29 21.272 1.942 0.537 0.659 0.893 0.607 CB 1.301 29 residues pruned to eliminate duplicates Z: 18 13.226 1.836 0.359 0.589 0.941 0.647 CB 1.254 18 residues pruned to eliminate duplicates Z: 43 30.462 2.030 0.371 0.753 0.976 0.571 CB 1.382 43 residues pruned to eliminate duplicates Z: 39 29.200 1.993 0.453 0.711 0.921 0.658 CB 1.467 39 residues pruned to eliminate duplicates Z: 40 28.715 2.038 0.400 0.735 0.923 0.692 CB 1.414 40 residues pruned to eliminate duplicates Z: 43 33.087 2.015 0.493 0.745 0.976 0.643 CB 1.397 43 residues pruned to eliminate duplicates Z: 41 27.985 2.038 0.360 0.738 0.875 0.550 CA 1.474 41 residues pruned to eliminate duplicates Z: 43 31.042 2.028 0.414 0.751 0.976 0.619 CB 1.368 43 residues pruned to eliminate duplicates Z: 37 28.128 2.019 0.408 0.715 0.944 0.528 CB 1.436 37 residues pruned to eliminate duplicates Z: 42 26.656 2.005 0.292 0.718 0.951 0.683 CB 1.388 42 residues pruned to eliminate duplicates Z: 20 11.396 1.788 0.309 0.588 0.895 0.789 CB 1.148 20 residues pruned to eliminate duplicates Z: 45 27.379 1.961 0.461 0.703 0.864 0.614 CB 1.387 45 residues pruned to eliminate duplicates Z: 43 28.932 2.008 0.508 0.729 0.905 0.571 CB 1.325 43 residues pruned to eliminate duplicates Z: 44 28.936 1.954 0.558 0.703 0.953 0.465 CB 1.264 44 residues pruned to eliminate duplicates Z: 27 26.898 2.046 0.610 0.872 0.885 0.385 CB 1.319 27 residues pruned to eliminate duplicates Z: 29 26.914 2.069 0.481 0.811 0.893 0.429 CA 1.418 29 residues pruned to eliminate duplicates Z: 39 28.455 2.039 0.370 0.703 0.947 0.474 CB 1.450 39 residues pruned to eliminate duplicates Z: 43 32.070 1.995 0.603 0.709 0.952 0.619 CB 1.344 43 residues pruned to eliminate duplicates Z: 43 28.795 2.015 0.389 0.721 0.952 0.643 CB 1.366 43 residues pruned to eliminate duplicates Z: 39 30.468 1.969 0.628 0.678 0.921 0.553 CB 1.421 39 residues pruned to eliminate duplicates Z: 43 29.359 1.992 0.446 0.707 0.929 0.571 CB 1.403 43 residues pruned to eliminate duplicates Z: 31 32.127 2.102 0.464 0.791 0.967 0.433 CB 1.527 31 residues pruned to eliminate duplicates Z: 41 30.786 2.032 0.444 0.723 0.950 0.700 CB 1.427 41 residues pruned to eliminate duplicates Z: 39 31.062 2.038 0.522 0.663 0.947 0.605 CB 1.474 39 residues pruned to eliminate duplicates Z: 44 30.741 1.996 0.458 0.720 0.953 0.721 CB 1.385 44 residues pruned to eliminate duplicates Z: 42 29.579 2.014 0.438 0.651 0.976 0.585 CB 1.421 42 residues pruned to eliminate duplicates Z: 42 28.796 2.006 0.459 0.714 0.902 0.585 CB 1.402 42 residues pruned to eliminate duplicates Z: 43 31.966 2.003 0.581 0.714 0.929 0.571 CB 1.381 43 residues pruned to eliminate duplicates Z: 50 24.090 1.905 0.306 0.590 0.918 0.592 CA 1.383 50 residues pruned to eliminate duplicates Z: 42 32.993 2.000 0.503 0.720 0.951 0.610 CB 1.476 42 residues pruned to eliminate duplicates Z: 43 29.090 1.988 0.473 0.709 0.952 0.524 CB 1.331 43 residues pruned to eliminate duplicates Z: 42 31.747 2.000 0.547 0.694 0.951 0.537 CB 1.411 42 residues pruned to eliminate duplicates Z: 42 31.769 2.025 0.560 0.700 0.951 0.561 CB 1.376 42 residues pruned to eliminate duplicates Z: 43 28.575 1.989 0.595 0.705 0.905 0.452 CB 1.275 43 residues pruned to eliminate duplicates Z: 62 40.050 2.035 0.648 0.702 0.902 0.590 CB 1.410 63 residues pruned to eliminate duplicates Z: 25 27.403 2.039 0.665 0.867 0.875 0.375 CB 1.377 25 residues pruned to eliminate duplicates Z: 64 43.084 2.049 0.654 0.727 0.937 0.619 CB 1.394 64 residues pruned to eliminate duplicates Z: 65 44.863 2.031 0.706 0.715 0.938 0.500 CB 1.422 67 residues pruned to eliminate duplicates Z: 18 27.535 2.151 0.654 0.771 0.941 0.647 CA 1.569 18 residues pruned to eliminate duplicates Z: 24 37.015 2.037 0.903 0.830 1.000 0.609 CA 1.497 24 residues pruned to eliminate duplicates Z: 21 34.203 2.143 0.831 0.883 1.000 0.550 CB 1.409 21 residues pruned to eliminate duplicates Z: 23 36.098 2.062 0.971 0.821 1.000 0.545 CB 1.433 23 residues pruned to eliminate duplicates Z: 20 32.291 2.145 0.744 0.839 0.947 0.526 CB 1.561 20 residues pruned to eliminate duplicates Z: 21 36.323 2.146 1.002 0.840 1.000 0.550 CB 1.411 21 residues pruned to eliminate duplicates Z: 30 29.296 2.102 0.756 0.705 0.897 0.517 CB 1.364 29 residues pruned to eliminate duplicates Z: 22 35.095 2.016 1.015 0.910 1.000 0.571 CB 1.338 22 residues pruned to eliminate duplicates Z: 24 30.401 2.066 0.904 0.742 0.957 0.478 CB 1.357 24 residues pruned to eliminate duplicates Z: 22 33.082 2.120 0.939 0.808 1.000 0.667 CB 1.343 22 residues pruned to eliminate duplicates Z: 20 35.976 2.147 1.088 0.895 1.000 0.474 CB 1.320 20 residues pruned to eliminate duplicates Z: 22 28.635 2.059 1.075 0.868 0.810 0.429 CB 1.321 22 residues pruned to eliminate duplicates Z: 27 28.000 1.955 0.897 0.716 0.962 0.462 CB 1.266 27 residues pruned to eliminate duplicates Z: 61 44.057 2.110 0.823 0.686 0.883 0.583 CB 1.411 61 residues pruned to eliminate duplicates Z: 24 28.279 2.052 1.015 0.743 0.870 0.304 CB 1.320 24 residues pruned to eliminate duplicates Z: 21 38.839 2.108 1.034 0.858 1.000 0.500 CB 1.492 21 residues pruned to eliminate duplicates Z: 20 39.069 2.193 1.038 0.886 1.000 0.579 CB 1.447 20 residues pruned to eliminate duplicates Z: 20 33.082 2.197 0.932 0.789 0.947 0.474 CB 1.464 20 residues pruned to eliminate duplicates Z: 57 33.151 2.060 0.668 0.682 0.821 0.464 CB 1.328 57 residues pruned to eliminate duplicates Z: 25 22.250 2.008 0.676 0.593 0.917 0.625 CB 1.346 25 residues pruned to eliminate duplicates Z: 24 16.480 1.952 0.602 0.560 0.826 0.565 CB 1.255 24 residues pruned to eliminate duplicates Z: 24 17.366 2.040 0.484 0.596 0.826 0.609 CB 1.320 24 residues pruned to eliminate duplicates Z: 37 33.413 2.156 0.545 0.665 0.944 0.778 CB 1.519 37 residues pruned to eliminate duplicates Z: 12 8.510 1.966 0.208 0.508 1.000 0.364 CB 1.072 12 residues pruned to eliminate duplicates Z: 14 12.036 1.898 0.411 0.552 1.000 0.462 CB 1.185 14 residues pruned to eliminate duplicates Z: 32 25.447 2.125 0.469 0.629 0.935 0.742 CB 1.387 32 residues pruned to eliminate duplicates Z: 23 18.220 2.049 0.533 0.651 0.864 0.682 CB 1.244 23 residues pruned to eliminate duplicates Z: 23 22.417 2.044 0.734 0.634 0.864 0.773 CB 1.377 23 residues pruned to eliminate duplicates Z: 37 29.334 2.099 0.616 0.646 0.861 0.750 CA 1.460 37 residues pruned to eliminate duplicates Z: 52 30.031 2.016 0.565 0.595 0.922 0.608 CB 1.321 52 residues pruned to eliminate duplicates Z: 27 20.357 1.940 0.607 0.595 0.885 0.615 CB 1.322 27 residues pruned to eliminate duplicates Z: 52 33.713 2.062 0.536 0.622 0.961 0.686 CB 1.383 52 residues pruned to eliminate duplicates Z: 22 20.791 2.071 0.656 0.617 0.857 0.667 CA 1.381 22 residues pruned to eliminate duplicates Z: 23 20.554 2.044 0.598 0.643 0.909 0.773 CB 1.291 23 residues pruned to eliminate duplicates Z: 19 22.585 2.134 0.558 0.627 0.944 0.667 CB 1.504 19 residues pruned to eliminate duplicates Z: 57 35.226 2.030 0.495 0.702 0.946 0.625 CB 1.363 57 residues pruned to eliminate duplicates Z: 20 15.544 1.856 0.683 0.537 0.947 0.737 CA 1.162 20 residues pruned to eliminate duplicates Z: 51 32.967 2.082 0.521 0.613 0.940 0.680 CB 1.407 51 residues pruned to eliminate duplicates Z: 45 31.214 2.018 0.551 0.660 0.932 0.727 CB 1.390 45 residues pruned to eliminate duplicates Z: 46 28.682 2.019 0.480 0.611 0.889 0.689 CB 1.448 46 residues pruned to eliminate duplicates Z: 62 34.855 2.017 0.532 0.652 0.918 0.574 CB 1.366 62 residues pruned to eliminate duplicates Z: 64 33.697 2.011 0.502 0.694 0.905 0.667 CB 1.301 64 residues pruned to eliminate duplicates Z: 65 36.305 2.052 0.588 0.664 0.891 0.531 CB 1.344 65 residues pruned to eliminate duplicates Z: 46 29.383 2.006 0.583 0.601 0.889 0.622 CB 1.410 46 residues pruned to eliminate duplicates Z: 46 27.944 2.048 0.462 0.674 0.889 0.556 CB 1.333 46 residues pruned to eliminate duplicates Z: 30 26.278 2.040 0.566 0.622 0.931 0.793 CB 1.462 30 residues pruned to eliminate duplicates Z: 48 31.978 1.986 0.495 0.661 0.957 0.660 CB 1.414 48 residues pruned to eliminate duplicates Z: 14 22.406 2.221 0.513 0.674 1.000 0.923 CA 1.574 14 residues pruned to eliminate duplicates Z: 52 33.220 2.064 0.487 0.598 0.941 0.627 CB 1.466 52 residues pruned to eliminate duplicates Z: 51 30.746 2.050 0.471 0.619 0.940 0.640 CB 1.371 51 residues pruned to eliminate duplicates Z: 39 34.634 2.034 0.768 0.661 0.947 0.763 CB 1.421 39 residues pruned to eliminate duplicates Z: 49 31.523 2.041 0.593 0.666 0.896 0.646 CB 1.340 49 residues pruned to eliminate duplicates Z: 56 33.927 2.006 0.539 0.702 0.927 0.582 CB 1.329 56 residues pruned to eliminate duplicates Z: 25 28.740 2.074 0.818 0.691 0.875 0.750 CB 1.493 25 residues pruned to eliminate duplicates Z: 29 33.710 2.137 0.701 0.692 0.929 0.607 CB 1.583 29 residues pruned to eliminate duplicates Z: 51 32.267 2.014 0.683 0.623 0.900 0.680 CB 1.332 51 residues pruned to eliminate duplicates Z: 24 28.511 2.091 0.850 0.678 0.913 0.565 CB 1.429 24 residues pruned to eliminate duplicates Z: 66 36.184 2.077 0.521 0.650 0.908 0.569 CB 1.361 66 residues pruned to eliminate duplicates Z: 66 34.353 2.053 0.464 0.662 0.908 0.631 CB 1.344 66 residues pruned to eliminate duplicates Z: 46 38.129 2.068 0.703 0.685 0.956 0.667 CB 1.425 46 residues pruned to eliminate duplicates Z: 60 34.347 2.004 0.633 0.676 0.898 0.610 CB 1.294 60 residues pruned to eliminate duplicates Z: 48 35.331 2.032 0.666 0.671 0.957 0.596 CB 1.357 48 residues pruned to eliminate duplicates Z: 52 34.769 2.035 0.699 0.584 0.941 0.667 CB 1.381 52 residues pruned to eliminate duplicates Z: 66 40.749 2.039 0.675 0.661 0.923 0.600 CB 1.381 66 residues pruned to eliminate duplicates Z: 52 32.846 2.049 0.722 0.588 0.902 0.686 CB 1.327 52 residues pruned to eliminate duplicates Z: 31 26.248 2.035 0.744 0.569 0.900 0.633 CB 1.403 31 residues pruned to eliminate duplicates Z: 67 37.711 2.044 0.603 0.628 0.939 0.591 CB 1.337 67 residues pruned to eliminate duplicates Z: 28 22.010 1.971 0.668 0.593 0.926 0.593 CB 1.273 28 residues pruned to eliminate duplicates Z: 45 35.235 2.063 0.687 0.660 0.977 0.432 CB 1.346 45 residues pruned to eliminate duplicates Z: 45 35.895 2.037 0.845 0.662 0.909 0.545 CB 1.363 45 residues pruned to eliminate duplicates Z: 96 51.016 2.019 0.693 0.683 0.968 0.695 CB 1.337 96 residues pruned to eliminate duplicates Z: 23 14.066 1.973 0.415 0.659 0.864 0.591 CB 1.073 23 residues pruned to eliminate duplicates Z: 67 39.204 2.049 0.597 0.659 0.939 0.530 CB 1.355 67 residues pruned to eliminate duplicates Z: 21 18.939 2.010 0.514 0.659 0.950 0.600 CB 1.264 21 residues pruned to eliminate duplicates Z: 17 19.355 2.085 0.396 0.826 1.000 0.750 CB 1.254 17 residues pruned to eliminate duplicates Z: 18 18.689 2.056 0.450 0.757 1.000 0.647 CB 1.209 18 residues pruned to eliminate duplicates Z: 65 39.288 2.075 0.584 0.655 0.922 0.656 CB 1.403 65 residues pruned to eliminate duplicates Z: 56 38.337 2.038 0.695 0.658 0.909 0.564 CB 1.422 56 residues pruned to eliminate duplicates Z: 46 35.904 2.038 0.818 0.672 0.911 0.622 CB 1.353 46 residues pruned to eliminate duplicates Z: 66 37.924 2.030 0.712 0.674 0.877 0.662 CB 1.315 66 residues pruned to eliminate duplicates Z: 19 19.666 1.955 0.811 0.708 0.944 0.556 CB 1.148 19 residues pruned to eliminate duplicates Z: 21 18.471 1.988 0.601 0.664 0.950 0.500 CB 1.173 21 residues pruned to eliminate duplicates Z: 20 23.201 2.039 0.878 0.693 0.947 0.263 CB 1.230 20 residues pruned to eliminate duplicates Z: 20 18.953 2.030 0.635 0.715 0.895 0.579 CB 1.205 20 residues pruned to eliminate duplicates Z: 69 36.003 1.991 0.588 0.640 0.912 0.588 CB 1.329 69 residues pruned to eliminate duplicates Z: 96 52.483 2.017 0.807 0.668 0.958 0.684 CB 1.321 95 residues pruned to eliminate duplicates Z: 17 27.028 2.013 0.978 0.862 1.000 0.688 CB 1.247 17 residues pruned to eliminate duplicates Z: 70 43.255 2.073 0.668 0.651 0.928 0.609 CB 1.411 70 residues pruned to eliminate duplicates Z: 24 18.074 2.056 0.458 0.441 0.826 0.348 CA 1.618 24 residues pruned to eliminate duplicates Z: 20 24.103 2.197 0.635 0.530 0.947 0.526 CA 1.577 20 residues pruned to eliminate duplicates Z: 47 28.097 2.035 0.537 0.525 0.891 0.522 CB 1.450 47 residues pruned to eliminate duplicates Z: 30 19.217 1.979 0.483 0.435 0.862 0.379 CB 1.509 30 residues pruned to eliminate duplicates Z: 24 23.951 2.127 0.635 0.532 0.870 0.435 CA 1.601 24 residues pruned to eliminate duplicates Z: 20 18.608 2.127 0.700 0.484 0.895 0.474 CA 1.341 20 residues pruned to eliminate duplicates Z: 70 38.472 2.061 0.588 0.627 0.884 0.551 CB 1.420 70 residues pruned to eliminate duplicates Z: 66 38.296 2.089 0.515 0.613 0.938 0.615 CB 1.436 66 residues pruned to eliminate duplicates Z: 23 21.332 2.094 0.469 0.478 0.909 0.455 CA 1.662 23 residues pruned to eliminate duplicates Z: 62 38.182 2.102 0.543 0.601 0.934 0.557 CB 1.466 62 residues pruned to eliminate duplicates Z: 22 23.894 2.188 0.700 0.498 0.857 0.476 CA 1.638 22 residues pruned to eliminate duplicates Z: 26 20.870 2.012 0.560 0.434 0.920 0.560 CA 1.548 26 residues pruned to eliminate duplicates Z: 22 21.731 2.055 0.736 0.486 0.905 0.429 CB 1.490 22 residues pruned to eliminate duplicates Z: 33 23.789 2.056 0.565 0.506 0.875 0.406 CA 1.486 33 residues pruned to eliminate duplicates Z: 27 23.735 2.014 0.739 0.492 0.923 0.577 CB 1.452 27 residues pruned to eliminate duplicates Z: 25 23.835 2.058 0.752 0.511 0.875 0.417 CB 1.525 25 residues pruned to eliminate duplicates Z: 43 29.025 2.055 0.540 0.527 0.905 0.524 CB 1.523 43 residues pruned to eliminate duplicates Z: 11 15.463 1.896 0.558 0.802 1.000 0.600 CB 1.271 11 residues pruned to eliminate duplicates Z: 14 10.158 1.806 0.278 0.622 0.846 0.538 CB 1.286 14 residues pruned to eliminate duplicates Z: 20 10.308 1.578 0.434 0.487 0.895 0.579 CB 1.183 20 residues pruned to eliminate duplicates Z: 7 3.432 1.575 0.323 0.164 0.833 0.167 CA 1.215 7 residues pruned to eliminate duplicates Z: 16 8.300 1.737 0.421 0.313 0.867 0.533 CB 1.232 16 residues pruned to eliminate duplicates Z: 7 2.647 1.444 0.226 0.146 0.833 0.167 N 1.134 7 residues pruned to eliminate duplicates Z: 43 25.580 1.978 0.527 0.588 0.810 0.500 CB 1.485 43 residues pruned to eliminate duplicates Z: 25 15.495 1.850 0.381 0.515 0.875 0.667 N 1.395 25 residues pruned to eliminate duplicates Z: 49 33.051 1.997 0.604 0.710 0.938 0.625 CB 1.313 49 residues pruned to eliminate duplicates Z: 47 30.087 2.023 0.526 0.715 0.913 0.565 CB 1.295 47 residues pruned to eliminate duplicates Z: 46 27.178 1.961 0.423 0.624 0.933 0.622 CB 1.385 46 residues pruned to eliminate duplicates Z: 28 14.546 1.832 0.348 0.478 0.963 0.741 CB 1.204 28 residues pruned to eliminate duplicates Z: 69 33.842 2.022 0.456 0.619 0.882 0.574 CB 1.412 69 residues pruned to eliminate duplicates Z: 12 13.651 1.969 0.400 0.643 0.909 0.727 CB 1.437 12 residues pruned to eliminate duplicates Z: 46 29.852 2.046 0.367 0.732 0.933 0.778 CB 1.384 46 residues pruned to eliminate duplicates Z: 47 33.167 2.006 0.557 0.728 0.935 0.522 CB 1.363 47 residues pruned to eliminate duplicates Z: 23 15.813 1.890 0.364 0.511 0.955 0.682 CB 1.354 23 residues pruned to eliminate duplicates Z: 45 26.816 2.038 0.262 0.664 0.977 0.705 CB 1.382 45 residues pruned to eliminate duplicates Z: 13 15.198 1.954 0.586 0.509 1.000 0.833 CA 1.403 13 residues pruned to eliminate duplicates Z: 75 33.762 2.016 0.411 0.575 0.905 0.608 CB 1.418 75 residues pruned to eliminate duplicates Z: 23 17.745 1.926 0.425 0.546 1.000 0.545 CB 1.318 23 residues pruned to eliminate duplicates Z: 14 11.231 1.888 0.583 0.357 0.846 0.385 CB 1.438 14 residues pruned to eliminate duplicates Z: 22 18.320 1.926 0.416 0.563 0.952 0.619 CB 1.448 22 residues pruned to eliminate duplicates Z: 24 17.591 1.883 0.416 0.497 0.957 0.609 CA 1.442 24 residues pruned to eliminate duplicates Z: 43 26.186 2.077 0.401 0.467 0.929 0.548 CB 1.546 43 residues pruned to eliminate duplicates Z: 47 32.906 1.995 0.499 0.704 0.978 0.739 CA 1.378 47 residues pruned to eliminate duplicates Z: 48 29.876 2.010 0.435 0.684 0.936 0.617 CB 1.363 48 residues pruned to eliminate duplicates Z: 24 14.980 1.812 0.466 0.503 0.913 0.565 CB 1.283 24 residues pruned to eliminate duplicates Z: 26 15.789 1.900 0.554 0.495 0.840 0.600 CB 1.279 26 residues pruned to eliminate duplicates Z: 46 23.824 1.968 0.343 0.676 0.867 0.578 CB 1.318 46 residues pruned to eliminate duplicates Z: 46 31.264 2.025 0.370 0.725 0.978 0.733 CB 1.403 46 residues pruned to eliminate duplicates Z: 47 30.808 1.991 0.450 0.679 0.978 0.739 CB 1.365 47 residues pruned to eliminate duplicates Z: 48 31.990 2.011 0.486 0.685 0.979 0.617 CB 1.346 48 residues pruned to eliminate duplicates Z: 48 32.863 2.004 0.502 0.696 0.979 0.638 CB 1.361 48 residues pruned to eliminate duplicates Z: 38 32.822 2.043 0.537 0.684 1.000 0.568 CB 1.451 38 residues pruned to eliminate duplicates Z: 46 28.761 2.018 0.365 0.665 0.933 0.600 CB 1.431 46 residues pruned to eliminate duplicates Z: 32 24.838 2.057 0.424 0.723 0.903 0.677 CB 1.380 32 residues pruned to eliminate duplicates Z: 48 30.910 1.978 0.522 0.657 0.936 0.638 CA 1.383 48 residues pruned to eliminate duplicates Z: 47 32.237 2.023 0.511 0.675 0.957 0.609 CB 1.384 47 residues pruned to eliminate duplicates Z: 38 23.580 2.020 0.360 0.633 0.892 0.514 CA 1.396 38 residues pruned to eliminate duplicates Z: 29 28.171 2.078 0.463 0.790 0.964 0.571 CB 1.407 29 residues pruned to eliminate duplicates Z: 16 18.447 2.168 0.234 0.853 0.933 0.667 CA 1.410 16 residues pruned to eliminate duplicates Z: 30 31.697 2.070 0.686 0.799 0.966 0.655 CB 1.345 30 residues pruned to eliminate duplicates Z: 33 29.222 2.020 0.623 0.740 0.906 0.594 CB 1.402 33 residues pruned to eliminate duplicates Z: 21 27.106 2.140 0.669 0.901 0.950 0.550 CB 1.274 21 residues pruned to eliminate duplicates Z: 29 32.106 2.076 0.714 0.807 0.964 0.393 CB 1.352 29 residues pruned to eliminate duplicates Z: 30 33.394 2.077 0.783 0.792 0.966 0.517 CB 1.342 30 residues pruned to eliminate duplicates Z: 30 29.123 2.038 0.765 0.778 0.931 0.621 CB 1.263 30 residues pruned to eliminate duplicates Z: 30 28.544 2.020 0.726 0.777 0.931 0.414 CB 1.279 30 residues pruned to eliminate duplicates Z: 12 10.337 1.851 0.407 0.462 0.909 0.545 CA 1.368 23 residues pruned to eliminate duplicates Z: 17 7.105 1.681 0.360 0.314 0.812 0.312 CA 1.175 17 residues pruned to eliminate duplicates Z: 10 7.103 1.937 0.276 0.403 0.778 0.444 CA 1.363 10 residues pruned to eliminate duplicates Z: 23 10.037 1.743 0.273 0.442 0.773 0.364 CB 1.325 23 residues pruned to eliminate duplicates Z: 20 13.507 1.853 0.528 0.493 0.789 0.368 CB 1.396 20 residues pruned to eliminate duplicates Z: 15 10.505 1.834 0.308 0.555 0.786 0.429 CA 1.412 15 residues pruned to eliminate duplicates Z: 18 15.825 1.901 0.486 0.570 0.882 0.471 CA 1.439 18 residues pruned to eliminate duplicates Z: 19 17.777 1.877 0.606 0.566 0.889 0.444 CB 1.467 19 residues pruned to eliminate duplicates Z: 12 9.343 1.845 0.212 0.668 0.909 0.364 CA 1.186 Z: 10 14.642 1.970 0.431 0.786 1.000 0.444 CB 1.346 12 residues pruned to eliminate duplicates Z: 11 15.989 1.893 0.525 0.769 1.000 0.700 CB 1.380 10 residues pruned to eliminate duplicates Z: 10 14.878 1.925 0.449 0.760 1.000 0.667 CB 1.411 11 residues pruned to eliminate duplicates Z: 8 11.158 1.926 0.254 0.788 1.000 0.857 CB 1.355 8 residues pruned to eliminate duplicates Z: 9 12.648 1.984 0.449 0.733 0.875 0.500 CB 1.442 9 residues pruned to eliminate duplicates Z: 20 13.427 1.805 0.434 0.499 0.895 0.526 CA 1.330 30 residues pruned to eliminate duplicates Z: 12 11.413 1.717 0.567 0.642 1.000 0.545 CB 1.121 Z: 11 23.657 1.925 0.881 0.927 1.000 0.800 CA 1.448 11 residues pruned to eliminate duplicates Z: 10 19.934 2.074 0.737 0.908 0.889 0.889 CA 1.474 10 residues pruned to eliminate duplicates Z: 28 18.430 1.902 0.396 0.679 0.926 0.667 CB 1.224 28 residues pruned to eliminate duplicates Z: 13 22.290 1.984 0.676 0.746 1.000 0.917 CA 1.552 14 residues pruned to eliminate duplicates Z: 11 26.120 1.924 1.196 0.912 1.000 0.600 CB 1.385 10 residues pruned to eliminate duplicates Z: 10 22.861 1.925 1.264 0.849 0.889 0.556 CB 1.458 10 residues pruned to eliminate duplicates Z: 10 18.420 1.889 1.214 0.894 0.778 0.667 CA 1.354 10 residues pruned to eliminate duplicates Z: 27 24.276 1.935 0.883 0.663 0.923 0.538 CB 1.218 27 residues pruned to eliminate duplicates Z: 11 8.460 1.468 0.215 0.775 1.000 0.700 CB 1.177 9 residues pruned to eliminate duplicates Z: 11 7.083 1.468 0.271 0.706 0.900 0.600 CB 1.106 11 residues pruned to eliminate duplicates Z: 11 8.038 1.606 0.285 0.668 1.000 0.500 CB 1.055 12 residues pruned to eliminate duplicates Z: 9 8.859 1.549 0.272 0.726 1.000 0.625 CA 1.297 9 residues pruned to eliminate duplicates Z: 14 7.735 1.562 0.301 0.565 0.923 0.462 CB 1.073 13 residues pruned to eliminate duplicates Z: 10 9.372 1.549 0.329 0.803 1.000 0.778 CB 1.165 10 residues pruned to eliminate duplicates Z: 10 7.163 1.554 0.363 0.750 1.000 0.556 CB 0.902 10 residues pruned to eliminate duplicates 520 residues left after pruning, divided into chains as follows: A: 12 B: 10 C: 26 D: 158 E: 49 F: 16 G: 17 H: 53 I: 8 J: 160 K: 11 CC for partial structure against native data = 36.94 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.388, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.443, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.538, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.548, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.553, Connect. = 0.766 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.768 for dens.mod. cycle 7 = 0.300, Contrast = 0.562, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 0.565, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.567, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2969 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 673 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 32.355 2.080 0.797 0.902 0.955 0.818 CB 1.379 B: 18 30.897 2.166 0.685 0.917 1.000 0.941 CA 1.449 18 residues pruned to eliminate duplicates C: 23 24.717 2.046 0.290 0.921 1.000 0.955 CB 1.405 D: 22 34.317 2.089 0.982 0.904 0.952 0.619 CB 1.353 23 residues pruned to eliminate duplicates E: 19 21.539 1.966 0.533 0.873 0.889 0.722 CB 1.380 F: 19 36.869 2.224 0.864 0.914 0.944 0.722 CB 1.570 19 residues pruned to eliminate duplicates G: 12 23.995 2.213 0.518 0.910 1.000 0.727 CB 1.528 H: 15 22.070 2.176 0.375 0.909 1.000 0.929 CB 1.400 15 residues pruned to eliminate duplicates I: 15 17.277 2.121 0.139 0.875 1.000 0.786 CB 1.390 J: 23 33.271 2.069 0.922 0.929 1.000 0.500 CB 1.249 23 residues pruned to eliminate duplicates K: 11 20.017 2.070 0.501 0.911 1.000 0.800 CA 1.443 11 residues pruned to eliminate duplicates L: 23 29.275 2.103 0.578 0.908 0.955 0.727 CB 1.399 23 residues pruned to eliminate duplicates M: 22 37.223 2.100 1.008 0.940 1.000 0.810 CB 1.337 22 residues pruned to eliminate duplicates N: 13 21.342 2.163 0.565 0.903 0.917 0.833 CB 1.415 O: 9 15.326 2.203 0.395 0.912 1.000 1.000 CB 1.248 9 residues pruned to eliminate duplicates P: 17 25.144 2.056 0.549 0.844 1.000 0.750 CB 1.469 15 residues pruned to eliminate duplicates Q: 21 28.815 2.145 0.590 0.914 0.950 0.800 CB 1.406 21 residues pruned to eliminate duplicates R: 23 28.194 2.110 0.333 0.930 1.000 0.955 CB 1.494 23 residues pruned to eliminate duplicates S: 12 26.119 1.972 0.960 0.924 1.000 0.909 CB 1.431 T: 11 28.252 2.279 0.586 0.916 1.000 0.500 CB 1.746 11 residues pruned to eliminate duplicates U: 23 28.425 2.076 0.502 0.945 0.955 0.864 CB 1.409 23 residues pruned to eliminate duplicates V: 16 17.515 1.924 0.529 0.872 0.933 0.533 CB 1.200 16 residues pruned to eliminate duplicates W: 12 15.597 2.132 0.290 0.924 1.000 0.909 CA 1.202 12 residues pruned to eliminate duplicates X: 21 26.123 2.043 0.629 0.916 1.000 0.650 CA 1.239 Y: 14 22.442 1.899 0.784 0.864 0.923 0.538 CB 1.459 Z: 7 8.141 1.883 0.273 0.851 1.000 0.667 CB 1.026 7 residues pruned to eliminate duplicates Z: 13 19.159 2.101 0.520 0.920 0.917 0.833 CB 1.331 13 residues pruned to eliminate duplicates Z: 21 33.229 2.076 0.940 0.924 0.950 0.600 CA 1.364 21 residues pruned to eliminate duplicates Z: 10 17.458 2.072 0.594 0.831 1.000 0.778 CA 1.323 Z: 14 18.826 1.894 0.417 0.918 1.000 0.923 CA 1.372 14 residues pruned to eliminate duplicates Z: 16 18.176 2.011 0.282 0.914 1.000 0.867 CB 1.288 16 residues pruned to eliminate duplicates Z: 15 24.565 2.051 0.754 0.861 1.000 0.714 CB 1.341 Z: 8 10.049 2.018 0.360 0.749 0.857 0.429 CA 1.293 Z: 10 11.743 2.134 0.640 0.846 0.778 0.667 CB 1.069 10 residues pruned to eliminate duplicates Z: 21 32.196 2.105 0.759 0.898 0.950 0.600 CB 1.464 21 residues pruned to eliminate duplicates Z: 19 38.824 2.201 0.970 0.933 1.000 0.778 CA 1.472 22 residues pruned to eliminate duplicates Z: 22 31.437 2.103 0.804 0.913 0.952 0.810 CB 1.343 22 residues pruned to eliminate duplicates Z: 21 20.268 2.057 0.601 0.903 0.800 0.500 CB 1.226 21 residues pruned to eliminate duplicates Z: 9 10.202 2.021 0.268 0.818 0.875 0.875 CA 1.220 8 residues pruned to eliminate duplicates Z: 16 18.574 2.245 -0.032 0.931 1.000 1.000 CA 1.542 16 residues pruned to eliminate duplicates Z: 8 9.719 2.100 -0.061 0.843 1.000 0.714 CB 1.388 9 residues pruned to eliminate duplicates Z: 22 26.020 2.051 0.904 0.863 0.810 0.524 CB 1.318 22 residues pruned to eliminate duplicates Z: 23 32.942 2.102 0.596 0.911 1.000 0.545 CB 1.484 23 residues pruned to eliminate duplicates Z: 28 24.862 1.945 0.402 0.857 1.000 0.741 CB 1.294 Z: 16 14.531 1.978 0.208 0.884 0.933 0.733 CB 1.215 16 residues pruned to eliminate duplicates Z: 13 17.384 2.126 0.230 0.917 1.000 1.000 CA 1.355 12 residues pruned to eliminate duplicates Z: 44 27.474 1.980 0.441 0.657 0.953 0.721 CB 1.331 18 residues pruned to eliminate duplicates Z: 27 18.744 1.915 0.260 0.735 0.923 0.731 CB 1.337 24 residues pruned to eliminate duplicates Z: 24 23.077 2.040 0.509 0.893 0.913 0.565 CB 1.229 24 residues pruned to eliminate duplicates Z: 11 21.771 1.979 0.680 0.888 1.000 0.700 CA 1.492 Z: 8 12.643 1.931 0.472 0.856 1.000 0.857 CB 1.240 Z: 14 17.295 2.107 0.073 0.881 1.000 0.769 CB 1.535 14 residues pruned to eliminate duplicates Z: 22 26.891 2.107 0.328 0.910 1.000 0.905 CA 1.487 22 residues pruned to eliminate duplicates Z: 14 22.993 1.892 0.689 0.926 1.000 1.000 CA 1.400 12 residues pruned to eliminate duplicates Z: 11 11.514 1.792 0.091 0.850 1.000 0.900 CA 1.379 Z: 15 21.939 2.116 0.397 0.915 1.000 0.929 CA 1.402 13 residues pruned to eliminate duplicates Z: 25 13.549 1.740 0.348 0.555 0.875 0.625 CA 1.277 Z: 13 24.293 1.998 0.805 0.909 1.000 0.833 CB 1.380 Z: 17 38.383 2.262 0.897 0.935 1.000 0.562 CB 1.559 17 residues pruned to eliminate duplicates Z: 18 21.634 1.924 0.498 0.882 1.000 0.882 CB 1.318 17 residues pruned to eliminate duplicates Z: 26 25.655 2.050 0.328 0.877 1.000 0.600 CB 1.369 27 residues pruned to eliminate duplicates Z: 6 11.071 2.049 0.324 0.839 1.000 0.800 CB 1.363 6 residues pruned to eliminate duplicates Z: 22 33.987 2.091 0.903 0.916 0.952 0.762 CB 1.382 19 residues pruned to eliminate duplicates Z: 12 17.100 2.081 0.531 0.882 0.909 0.636 CB 1.288 10 residues pruned to eliminate duplicates Z: 19 28.896 2.200 0.650 0.910 0.889 0.611 CB 1.497 19 residues pruned to eliminate duplicates Z: 7 13.922 1.898 0.392 0.889 1.000 1.000 CA 1.549 7 residues pruned to eliminate duplicates Z: 6 7.365 2.033 -0.205 0.842 1.000 1.000 CB 1.520 6 residues pruned to eliminate duplicates Z: 13 24.061 1.985 0.780 0.900 1.000 0.750 CB 1.404 14 residues pruned to eliminate duplicates Z: 16 13.986 2.009 0.046 0.859 0.933 0.600 CB 1.355 16 residues pruned to eliminate duplicates Z: 12 23.973 2.135 0.715 0.887 1.000 0.818 CB 1.423 12 residues pruned to eliminate duplicates Z: 14 17.566 2.065 0.294 0.860 1.000 0.846 CA 1.341 14 residues pruned to eliminate duplicates Z: 23 27.477 2.053 0.465 0.895 1.000 0.727 CB 1.396 23 residues pruned to eliminate duplicates Z: 24 24.430 2.098 0.443 0.908 0.870 0.696 CA 1.374 24 residues pruned to eliminate duplicates Z: 11 23.199 1.898 0.799 0.914 1.000 0.800 CB 1.520 11 residues pruned to eliminate duplicates Z: 13 30.335 1.986 1.161 0.922 1.000 0.917 CB 1.435 14 residues pruned to eliminate duplicates Z: 16 14.969 1.876 0.447 0.832 0.933 0.800 CA 1.145 16 residues pruned to eliminate duplicates Z: 6 9.942 2.026 0.216 0.863 1.000 0.800 CB 1.325 6 residues pruned to eliminate duplicates Z: 12 13.642 2.012 0.312 0.880 1.000 0.727 CA 1.129 12 residues pruned to eliminate duplicates Z: 13 14.099 2.034 0.266 0.873 1.000 0.750 CA 1.151 12 residues pruned to eliminate duplicates Z: 11 19.126 1.937 0.641 0.897 1.000 0.800 CB 1.362 11 residues pruned to eliminate duplicates Z: 11 12.528 2.055 -0.001 0.929 1.000 0.900 CB 1.350 11 residues pruned to eliminate duplicates Z: 10 19.479 2.011 0.976 0.755 0.889 0.444 CA 1.465 Z: 11 17.302 1.774 0.726 0.894 1.000 0.600 CB 1.282 10 residues pruned to eliminate duplicates Z: 8 15.603 2.260 0.238 0.901 1.000 0.571 CB 1.504 8 residues pruned to eliminate duplicates Z: 21 29.183 2.109 0.771 0.923 0.900 0.650 CB 1.364 21 residues pruned to eliminate duplicates Z: 19 20.983 1.921 0.767 0.833 0.833 0.556 CB 1.311 18 residues pruned to eliminate duplicates Z: 12 17.501 2.078 0.615 0.863 0.909 0.909 CB 1.269 12 residues pruned to eliminate duplicates Z: 17 18.099 2.240 0.560 0.474 0.938 0.562 CA 1.418 8 residues pruned to eliminate duplicates Z: 26 25.322 2.011 0.454 0.893 1.000 0.520 CB 1.243 26 residues pruned to eliminate duplicates Z: 23 30.848 2.069 0.836 0.940 0.955 0.773 CB 1.260 23 residues pruned to eliminate duplicates Z: 17 20.571 1.800 0.644 0.716 0.938 0.812 CB 1.525 25 residues pruned to eliminate duplicates Z: 6 6.989 1.578 0.305 0.809 1.000 0.800 CB 1.160 Z: 11 21.556 1.915 0.894 0.922 1.000 0.900 CA 1.322 11 residues pruned to eliminate duplicates Z: 11 28.484 2.079 1.042 0.907 1.000 0.700 CA 1.508 11 residues pruned to eliminate duplicates Z: 13 23.031 2.159 0.784 0.920 1.000 0.833 CA 1.215 14 residues pruned to eliminate duplicates Z: 24 20.939 1.986 0.392 0.906 0.957 0.478 CB 1.174 23 residues pruned to eliminate duplicates Z: 9 9.512 1.750 0.103 0.908 1.000 1.000 CA 1.237 9 residues pruned to eliminate duplicates Z: 25 27.339 2.090 0.681 0.682 0.875 0.667 CB 1.535 17 residues pruned to eliminate duplicates Z: 16 23.785 1.840 0.872 0.922 1.000 0.933 CA 1.253 13 residues pruned to eliminate duplicates Z: 22 26.868 2.104 0.313 0.927 1.000 0.810 CB 1.487 22 residues pruned to eliminate duplicates Z: 11 21.470 1.943 0.740 0.910 1.000 0.900 CA 1.425 11 residues pruned to eliminate duplicates Z: 25 20.821 1.990 0.198 0.844 0.958 0.708 CA 1.384 25 residues pruned to eliminate duplicates Z: 11 19.837 1.915 0.732 0.927 1.000 0.900 CA 1.325 10 residues pruned to eliminate duplicates Z: 14 16.832 2.144 0.309 0.861 0.846 0.692 CB 1.444 14 residues pruned to eliminate duplicates Z: 12 22.161 2.064 0.815 0.901 0.909 0.818 CB 1.400 12 residues pruned to eliminate duplicates Z: 6 4.774 1.628 0.564 0.469 0.800 0.400 N 1.083 6 residues pruned to eliminate duplicates Z: 24 20.320 2.022 0.527 0.870 0.913 0.522 CB 1.098 24 residues pruned to eliminate duplicates Z: 17 14.478 1.971 0.536 0.597 0.938 0.750 CB 1.163 17 residues pruned to eliminate duplicates Z: 10 9.535 1.742 0.123 0.877 0.889 0.667 CB 1.328 9 residues pruned to eliminate duplicates Z: 23 36.219 2.126 0.745 0.941 1.000 0.727 CB 1.444 23 residues pruned to eliminate duplicates Z: 18 27.108 2.177 0.486 0.921 1.000 0.882 CA 1.430 18 residues pruned to eliminate duplicates Z: 26 24.333 2.009 0.391 0.922 1.000 0.680 CA 1.224 26 residues pruned to eliminate duplicates Z: 23 24.724 2.090 0.354 0.906 0.955 0.727 CB 1.387 23 residues pruned to eliminate duplicates Z: 8 9.831 1.647 0.339 0.855 1.000 1.000 CB 1.244 Z: 12 17.587 2.024 0.288 0.865 1.000 0.818 CB 1.491 12 residues pruned to eliminate duplicates Z: 12 12.890 1.866 0.586 0.430 1.000 0.727 CA 1.412 12 residues pruned to eliminate duplicates Z: 12 21.879 2.031 0.686 0.900 1.000 0.727 CA 1.377 10 residues pruned to eliminate duplicates Z: 12 19.099 2.107 0.704 0.900 0.909 0.636 CA 1.260 12 residues pruned to eliminate duplicates Z: 9 9.027 1.529 0.143 0.879 1.000 1.000 CB 1.324 6 residues pruned to eliminate duplicates Z: 11 14.258 1.815 0.541 0.814 0.900 0.700 CA 1.363 11 residues pruned to eliminate duplicates Z: 14 25.204 2.004 0.743 0.913 1.000 0.462 CA 1.416 16 residues pruned to eliminate duplicates Z: 11 13.358 1.998 0.172 0.907 1.000 0.800 CB 1.283 10 residues pruned to eliminate duplicates Z: 17 22.230 2.062 0.417 0.865 1.000 0.812 CB 1.393 17 residues pruned to eliminate duplicates Z: 15 27.256 1.906 0.980 0.899 1.000 0.929 CB 1.379 13 residues pruned to eliminate duplicates Z: 9 9.722 1.824 0.220 0.893 1.000 0.875 CB 1.109 9 residues pruned to eliminate duplicates Z: 21 25.068 2.028 0.757 0.911 0.950 0.500 CA 1.174 21 residues pruned to eliminate duplicates Z: 43 27.871 2.025 0.578 0.505 0.929 0.619 CB 1.441 42 residues pruned to eliminate duplicates Z: 13 21.677 2.083 0.834 0.899 0.833 0.583 CB 1.404 13 residues pruned to eliminate duplicates Z: 12 25.983 2.026 0.768 0.905 1.000 0.818 CA 1.555 12 residues pruned to eliminate duplicates Z: 13 24.991 2.114 0.838 0.925 0.917 0.667 CA 1.421 13 residues pruned to eliminate duplicates Z: 10 18.155 2.127 0.560 0.840 1.000 0.556 CB 1.361 12 residues pruned to eliminate duplicates Z: 18 21.222 2.053 0.511 0.877 0.882 0.824 CB 1.366 18 residues pruned to eliminate duplicates Z: 10 21.614 2.030 0.775 0.871 1.000 0.444 CA 1.458 10 residues pruned to eliminate duplicates Z: 12 25.066 2.073 0.901 0.888 1.000 0.636 CA 1.382 12 residues pruned to eliminate duplicates Z: 25 24.797 1.966 0.434 0.824 1.000 0.792 CA 1.355 24 residues pruned to eliminate duplicates Z: 14 15.636 2.099 0.217 0.856 0.846 0.769 CA 1.480 14 residues pruned to eliminate duplicates Z: 12 17.771 2.041 0.364 0.894 1.000 1.000 CB 1.380 12 residues pruned to eliminate duplicates Z: 27 21.849 1.945 0.438 0.870 0.962 0.462 CB 1.163 27 residues pruned to eliminate duplicates Z: 6 6.172 1.718 0.522 0.596 0.800 0.800 CB 1.203 Z: 20 18.370 2.056 0.343 0.627 0.895 0.737 CA 1.514 20 residues pruned to eliminate duplicates Z: 7 6.694 1.617 0.206 0.851 1.000 0.833 CB 1.038 7 residues pruned to eliminate duplicates Z: 24 22.517 2.006 0.564 0.884 0.870 0.522 CB 1.243 24 residues pruned to eliminate duplicates Z: 42 26.992 2.035 0.557 0.515 0.902 0.634 CB 1.453 42 residues pruned to eliminate duplicates Z: 22 28.366 2.141 0.446 0.913 1.000 0.714 CA 1.415 24 residues pruned to eliminate duplicates Z: 11 23.708 2.050 0.851 0.905 1.000 0.400 CA 1.406 11 residues pruned to eliminate duplicates Z: 9 14.096 2.112 0.437 0.699 1.000 0.625 CB 1.369 9 residues pruned to eliminate duplicates Z: 12 16.513 1.756 0.498 0.859 1.000 0.818 CA 1.392 12 residues pruned to eliminate duplicates Z: 23 24.280 1.939 0.724 0.684 0.909 0.545 CB 1.439 21 residues pruned to eliminate duplicates Z: 13 20.834 1.975 0.747 0.856 0.917 0.750 CA 1.402 13 residues pruned to eliminate duplicates Z: 12 23.200 1.922 0.973 0.919 1.000 0.364 CB 1.299 12 residues pruned to eliminate duplicates Z: 12 12.986 1.730 0.153 0.849 1.000 0.545 CA 1.454 11 residues pruned to eliminate duplicates Z: 50 31.400 2.067 0.624 0.615 0.898 0.633 CB 1.334 43 residues pruned to eliminate duplicates Z: 11 9.033 1.639 0.534 0.494 0.900 0.500 CA 1.271 Z: 10 14.921 1.828 0.429 0.878 1.000 0.667 CB 1.382 10 residues pruned to eliminate duplicates Z: 12 24.222 1.900 1.025 0.910 1.000 0.818 CB 1.346 12 residues pruned to eliminate duplicates Z: 13 23.213 1.994 0.605 0.929 1.000 0.917 CA 1.465 13 residues pruned to eliminate duplicates Z: 16 8.118 1.758 0.389 0.510 0.800 0.600 CB 1.063 Z: 26 26.431 2.113 0.613 0.588 0.960 0.680 CB 1.485 25 residues pruned to eliminate duplicates Z: 17 11.934 2.025 0.573 0.325 0.812 0.500 CB 1.396 17 residues pruned to eliminate duplicates Z: 15 19.106 2.011 0.689 0.856 0.929 0.714 CB 1.194 11 residues pruned to eliminate duplicates Z: 22 29.469 2.108 0.660 0.916 1.000 0.571 CB 1.298 22 residues pruned to eliminate duplicates Z: 13 20.736 1.993 0.661 0.919 1.000 0.667 CA 1.274 13 residues pruned to eliminate duplicates Z: 12 19.861 2.059 0.757 0.894 0.909 0.727 CA 1.305 12 residues pruned to eliminate duplicates Z: 25 30.329 2.035 0.559 0.927 1.000 0.792 CA 1.367 25 residues pruned to eliminate duplicates Z: 12 19.740 2.041 0.997 0.905 1.000 0.818 CB 1.039 12 residues pruned to eliminate duplicates Z: 20 19.389 2.017 0.287 0.855 0.947 0.789 CA 1.334 20 residues pruned to eliminate duplicates Z: 24 31.080 2.028 0.878 0.914 0.913 0.652 CB 1.318 24 residues pruned to eliminate duplicates Z: 27 23.624 1.948 0.396 0.879 1.000 0.577 CB 1.236 27 residues pruned to eliminate duplicates Z: 18 14.567 1.820 0.661 0.801 0.824 0.647 CB 1.090 14 residues pruned to eliminate duplicates Z: 23 29.390 2.051 0.631 0.897 0.955 0.727 CA 1.404 23 residues pruned to eliminate duplicates Z: 24 27.138 2.040 0.721 0.928 1.000 0.652 CB 1.129 24 residues pruned to eliminate duplicates Z: 25 26.229 1.987 0.607 0.902 1.000 0.667 CB 1.196 25 residues pruned to eliminate duplicates Z: 11 14.682 1.780 0.601 0.857 0.900 0.800 CB 1.334 11 residues pruned to eliminate duplicates Z: 13 29.103 2.061 0.998 0.918 1.000 1.000 CB 1.439 13 residues pruned to eliminate duplicates Z: 19 17.952 1.920 0.428 0.823 0.944 0.556 CA 1.236 19 residues pruned to eliminate duplicates Z: 7 10.904 1.611 0.588 0.792 1.000 0.500 CA 1.347 7 residues pruned to eliminate duplicates Z: 14 14.506 2.019 0.207 0.862 0.923 0.615 CB 1.314 14 residues pruned to eliminate duplicates Z: 10 6.143 1.818 0.496 0.337 0.889 0.333 CB 1.012 Z: 8 13.448 2.076 0.465 0.815 0.857 0.571 CA 1.482 8 residues pruned to eliminate duplicates Z: 9 9.496 1.777 0.100 0.840 1.000 0.750 CB 1.282 9 residues pruned to eliminate duplicates Z: 8 12.047 1.833 0.269 0.833 1.000 0.571 CB 1.469 8 residues pruned to eliminate duplicates Z: 11 3.326 1.510 0.126 0.399 0.700 0.400 CB 0.983 Z: 16 12.766 1.779 0.608 0.606 0.933 0.467 CB 1.116 11 residues pruned to eliminate duplicates Z: 13 23.355 1.902 0.693 0.930 1.000 0.833 CA 1.463 13 residues pruned to eliminate duplicates Z: 16 20.526 2.110 0.369 0.840 1.000 0.733 CB 1.370 18 residues pruned to eliminate duplicates Z: 12 16.625 1.854 0.647 0.834 0.909 0.636 CA 1.354 12 residues pruned to eliminate duplicates Z: 13 27.030 2.111 0.867 0.944 1.000 0.917 CA 1.371 13 residues pruned to eliminate duplicates Z: 8 7.920 1.693 0.188 0.882 1.000 1.000 CB 1.077 8 residues pruned to eliminate duplicates Z: 24 20.897 2.049 0.322 0.912 0.913 0.783 CA 1.248 24 residues pruned to eliminate duplicates Z: 15 19.397 2.113 0.433 0.861 0.929 0.643 CB 1.354 15 residues pruned to eliminate duplicates Z: 10 6.593 1.519 0.338 0.733 0.889 0.667 CB 0.987 10 residues pruned to eliminate duplicates Z: 13 19.635 2.090 0.405 0.895 0.917 0.667 CB 1.509 13 residues pruned to eliminate duplicates Z: 13 20.298 1.981 0.672 0.870 0.917 0.917 CB 1.408 13 residues pruned to eliminate duplicates Z: 17 12.263 1.961 0.376 0.417 0.875 0.375 CA 1.416 17 residues pruned to eliminate duplicates Z: 14 24.681 2.066 0.778 0.937 1.000 1.000 CA 1.297 14 residues pruned to eliminate duplicates Z: 18 26.079 1.944 0.844 0.907 0.941 0.765 CB 1.333 19 residues pruned to eliminate duplicates Z: 12 26.468 2.153 1.044 0.916 0.909 0.545 CB 1.409 12 residues pruned to eliminate duplicates Z: 26 27.987 2.036 0.491 0.891 1.000 0.800 CA 1.325 26 residues pruned to eliminate duplicates Z: 10 10.475 1.819 0.159 0.853 1.000 0.778 CB 1.224 10 residues pruned to eliminate duplicates Z: 16 19.367 2.019 0.403 0.881 1.000 0.600 CB 1.279 16 residues pruned to eliminate duplicates Z: 8 11.412 2.148 0.264 0.814 1.000 0.429 CA 1.209 8 residues pruned to eliminate duplicates Z: 23 32.298 2.102 0.804 0.919 0.955 0.500 CB 1.341 23 residues pruned to eliminate duplicates Z: 12 6.008 1.618 0.394 0.340 0.818 0.727 CB 1.169 Z: 12 20.626 2.068 0.515 0.865 1.000 0.909 CA 1.453 12 residues pruned to eliminate duplicates Z: 9 5.100 1.762 0.124 0.393 0.875 0.625 CB 1.166 9 residues pruned to eliminate duplicates Z: 13 25.656 2.090 0.721 0.903 1.000 0.917 CA 1.468 13 residues pruned to eliminate duplicates Z: 6 4.610 1.892 0.162 0.292 1.000 0.600 CB 1.184 6 residues pruned to eliminate duplicates Z: 10 23.330 1.973 0.955 0.929 1.000 0.889 CB 1.412 11 residues pruned to eliminate duplicates Z: 26 20.074 2.022 0.476 0.863 0.800 0.520 CB 1.233 26 residues pruned to eliminate duplicates Z: 16 10.929 1.717 0.405 0.587 0.933 0.667 CA 1.152 16 residues pruned to eliminate duplicates Z: 12 29.983 2.029 1.042 0.907 1.000 0.727 CA 1.550 12 residues pruned to eliminate duplicates Z: 12 16.912 1.922 0.822 0.772 1.000 0.636 CA 1.145 Z: 27 23.598 1.977 0.713 0.625 0.923 0.500 CB 1.316 17 residues pruned to eliminate duplicates Z: 26 27.288 2.010 0.558 0.906 0.960 0.800 CA 1.291 26 residues pruned to eliminate duplicates Z: 9 16.278 1.991 1.035 0.810 0.875 0.625 CA 1.239 9 residues pruned to eliminate duplicates Z: 11 13.474 1.632 0.576 0.867 1.000 0.800 CA 1.212 11 residues pruned to eliminate duplicates Z: 9 14.623 1.954 0.508 0.873 0.875 0.875 CA 1.460 9 residues pruned to eliminate duplicates Z: 8 3.784 1.692 0.118 0.301 0.714 0.429 N 1.322 8 residues pruned to eliminate duplicates Z: 17 18.026 2.018 0.536 0.834 0.938 0.562 CB 1.163 17 residues pruned to eliminate duplicates Z: 23 26.811 2.044 0.529 0.906 0.955 0.818 CB 1.363 23 residues pruned to eliminate duplicates Z: 10 14.516 2.042 0.675 0.896 1.000 0.222 CB 1.013 10 residues pruned to eliminate duplicates Z: 15 24.844 1.919 0.867 0.902 1.000 0.429 CA 1.322 15 residues pruned to eliminate duplicates Z: 7 4.319 1.518 0.976 0.365 0.833 0.500 CA 0.816 Z: 23 10.058 1.632 0.195 0.462 0.955 0.545 CB 1.198 8 residues pruned to eliminate duplicates Z: 10 21.011 2.020 0.630 0.930 1.000 0.889 CA 1.487 10 residues pruned to eliminate duplicates Z: 25 27.606 1.977 0.785 0.746 0.917 0.750 CB 1.398 25 residues pruned to eliminate duplicates Z: 11 15.497 2.088 0.300 0.864 1.000 0.800 CA 1.324 11 residues pruned to eliminate duplicates Z: 21 33.812 2.089 0.985 0.903 0.950 0.600 CB 1.368 21 residues pruned to eliminate duplicates Z: 19 16.352 1.793 0.546 0.619 1.000 0.667 CB 1.243 16 residues pruned to eliminate duplicates Z: 23 23.357 2.019 0.481 0.826 0.955 0.727 CB 1.315 23 residues pruned to eliminate duplicates Z: 9 11.340 2.018 0.262 0.824 0.875 0.625 CB 1.359 9 residues pruned to eliminate duplicates Z: 16 18.952 2.083 0.504 0.838 0.867 0.533 CB 1.348 16 residues pruned to eliminate duplicates Z: 15 18.232 2.069 0.362 0.862 0.929 0.571 CB 1.367 15 residues pruned to eliminate duplicates Z: 32 17.145 1.805 0.603 0.557 0.871 0.355 CB 1.156 32 residues pruned to eliminate duplicates Z: 25 30.708 1.991 0.621 0.929 1.000 0.833 CA 1.360 24 residues pruned to eliminate duplicates Z: 8 3.984 1.571 0.070 0.509 0.857 0.429 N 1.036 Z: 23 20.826 2.041 0.259 0.927 1.000 0.864 CA 1.211 23 residues pruned to eliminate duplicates Z: 44 20.806 1.829 0.656 0.577 0.907 0.512 CB 1.073 27 residues pruned to eliminate duplicates Z: 13 16.083 1.975 0.530 0.847 1.000 0.750 CB 1.141 12 residues pruned to eliminate duplicates Z: 14 13.861 2.029 0.114 0.834 1.000 0.846 CA 1.276 14 residues pruned to eliminate duplicates Z: 43 28.045 1.935 0.531 0.748 0.905 0.619 CB 1.294 43 residues pruned to eliminate duplicates Z: 8 6.772 1.559 0.105 0.875 1.000 1.000 CB 1.080 8 residues pruned to eliminate duplicates Z: 11 17.824 2.066 0.367 0.900 1.000 0.900 CB 1.426 11 residues pruned to eliminate duplicates Z: 14 9.805 2.087 0.097 0.831 0.692 0.615 CB 1.289 14 residues pruned to eliminate duplicates Z: 9 18.018 1.862 0.667 0.915 1.000 0.750 CB 1.451 9 residues pruned to eliminate duplicates Z: 7 10.289 1.935 0.274 0.902 1.000 1.000 CB 1.215 7 residues pruned to eliminate duplicates Z: 22 19.989 1.977 0.512 0.876 0.952 0.619 CA 1.113 22 residues pruned to eliminate duplicates Z: 13 12.423 1.790 0.736 0.808 0.833 0.583 CA 1.059 12 residues pruned to eliminate duplicates Z: 8 8.460 1.655 0.252 0.829 1.000 0.857 CB 1.160 8 residues pruned to eliminate duplicates Z: 13 6.256 1.670 0.580 0.332 0.750 0.667 CB 1.097 13 residues pruned to eliminate duplicates Z: 15 21.443 1.999 0.628 0.817 1.000 0.857 CA 1.337 15 residues pruned to eliminate duplicates Z: 15 24.615 1.979 0.762 0.909 1.000 0.714 CA 1.339 15 residues pruned to eliminate duplicates Z: 11 18.860 1.903 0.606 0.849 1.000 0.600 CA 1.448 11 residues pruned to eliminate duplicates Z: 14 17.799 1.962 0.632 0.829 0.923 0.692 CB 1.257 14 residues pruned to eliminate duplicates Z: 9 11.756 1.785 0.306 0.894 1.000 0.875 CB 1.279 9 residues pruned to eliminate duplicates Z: 19 17.316 1.946 0.282 0.821 0.944 0.667 CB 1.311 19 residues pruned to eliminate duplicates Z: 25 25.365 2.018 0.400 0.857 1.000 0.667 CB 1.350 25 residues pruned to eliminate duplicates Z: 25 24.614 2.017 0.587 0.930 0.958 0.417 CB 1.145 25 residues pruned to eliminate duplicates Z: 21 27.551 2.034 0.732 0.898 0.950 0.550 CB 1.316 21 residues pruned to eliminate duplicates Z: 21 10.490 1.667 0.562 0.381 0.950 0.800 CB 1.076 14 residues pruned to eliminate duplicates Z: 10 9.383 1.633 0.419 0.843 1.000 0.667 CB 1.005 10 residues pruned to eliminate duplicates Z: 14 16.105 1.947 0.635 0.845 1.000 0.846 CA 1.043 14 residues pruned to eliminate duplicates Z: 9 16.970 2.063 0.836 0.903 0.875 0.500 CB 1.290 9 residues pruned to eliminate duplicates Z: 7 7.108 1.508 0.657 0.860 0.833 0.833 CB 1.025 Z: 9 5.480 1.781 0.140 0.281 1.000 0.500 CB 1.223 9 residues pruned to eliminate duplicates Z: 20 20.877 2.143 0.642 0.551 0.842 0.474 CA 1.538 20 residues pruned to eliminate duplicates Z: 32 28.554 2.017 0.404 0.764 1.000 0.677 CB 1.433 32 residues pruned to eliminate duplicates Z: 17 23.334 2.069 0.472 0.915 1.000 0.750 CB 1.353 17 residues pruned to eliminate duplicates Z: 8 6.574 1.665 0.070 0.841 1.000 0.857 CB 1.040 8 residues pruned to eliminate duplicates Z: 19 19.665 2.072 0.139 0.930 1.000 0.889 CA 1.373 19 residues pruned to eliminate duplicates Z: 8 3.416 1.619 -0.002 0.499 0.857 0.286 CB 0.934 6 residues pruned to eliminate duplicates Z: 49 23.826 1.899 0.594 0.459 0.854 0.500 CB 1.387 47 residues pruned to eliminate duplicates Z: 28 11.173 1.630 0.419 0.428 0.889 0.556 CB 1.128 28 residues pruned to eliminate duplicates Z: 12 6.843 1.611 0.598 0.424 0.909 0.818 CB 0.954 13 residues pruned to eliminate duplicates Z: 17 19.325 1.986 0.464 0.839 1.000 0.688 CB 1.241 17 residues pruned to eliminate duplicates Z: 9 9.550 1.688 0.251 0.890 1.000 0.750 CB 1.150 9 residues pruned to eliminate duplicates Z: 16 19.896 2.029 0.669 0.867 0.933 0.600 CB 1.189 16 residues pruned to eliminate duplicates Z: 11 10.074 1.612 0.704 0.790 0.800 0.300 CB 1.123 11 residues pruned to eliminate duplicates Z: 17 17.428 1.922 0.516 0.843 0.812 0.688 CB 1.371 17 residues pruned to eliminate duplicates Z: 13 19.384 1.944 0.557 0.902 1.000 0.667 CA 1.318 13 residues pruned to eliminate duplicates Z: 11 12.503 1.746 0.739 0.854 0.800 0.400 CB 1.203 11 residues pruned to eliminate duplicates Z: 18 12.858 1.764 0.408 0.517 0.941 0.412 CB 1.312 18 residues pruned to eliminate duplicates Z: 9 7.831 1.679 0.583 0.764 1.000 0.625 CB 0.824 9 residues pruned to eliminate duplicates Z: 10 15.579 2.110 0.348 0.889 1.000 0.778 CA 1.315 10 residues pruned to eliminate duplicates Z: 13 14.460 1.715 0.393 0.854 1.000 0.750 CB 1.290 13 residues pruned to eliminate duplicates Z: 23 33.382 2.068 0.884 0.939 0.955 0.591 CB 1.330 23 residues pruned to eliminate duplicates Z: 23 24.381 2.053 0.404 0.887 0.955 0.773 CA 1.362 23 residues pruned to eliminate duplicates Z: 25 27.339 2.074 0.369 0.925 1.000 0.625 CA 1.379 25 residues pruned to eliminate duplicates Z: 7 6.352 1.636 0.122 0.758 0.833 0.500 CB 1.347 7 residues pruned to eliminate duplicates Z: 6 8.191 1.659 0.573 0.869 1.000 0.800 CB 1.025 6 residues pruned to eliminate duplicates Z: 7 6.976 1.525 0.117 0.894 1.000 1.000 CB 1.199 7 residues pruned to eliminate duplicates Z: 17 24.423 2.012 0.626 0.913 1.000 0.688 CB 1.320 17 residues pruned to eliminate duplicates Z: 10 10.208 1.812 0.352 0.812 1.000 0.667 CB 1.058 10 residues pruned to eliminate duplicates Z: 15 23.703 1.959 0.718 0.848 1.000 1.000 CA 1.396 15 residues pruned to eliminate duplicates Z: 9 7.431 1.515 0.615 0.396 1.000 0.625 O 1.198 Z: 25 24.077 2.133 0.544 0.520 0.917 0.458 CB 1.597 25 residues pruned to eliminate duplicates Z: 13 16.617 1.906 0.459 0.913 0.917 0.500 CA 1.332 13 residues pruned to eliminate duplicates Z: 15 15.466 1.910 0.578 0.901 1.000 0.857 CA 0.979 15 residues pruned to eliminate duplicates Z: 24 25.022 2.075 0.381 0.900 0.957 0.652 CB 1.360 24 residues pruned to eliminate duplicates Z: 13 18.533 1.868 0.683 0.872 1.000 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 24 23.333 2.011 0.455 0.939 0.957 0.826 CB 1.209 24 residues pruned to eliminate duplicates Z: 16 22.634 1.916 0.649 0.856 1.000 0.667 CB 1.364 16 residues pruned to eliminate duplicates Z: 13 17.408 2.026 0.683 0.840 0.917 0.583 CA 1.200 13 residues pruned to eliminate duplicates Z: 17 22.248 2.008 0.781 0.898 0.938 0.625 CB 1.187 17 residues pruned to eliminate duplicates Z: 10 12.142 1.829 0.928 0.904 0.667 0.333 CB 1.226 10 residues pruned to eliminate duplicates Z: 9 2.132 1.436 0.181 0.247 0.625 0.250 CB 0.952 Z: 10 9.809 1.780 0.203 0.847 1.000 0.667 CB 1.133 10 residues pruned to eliminate duplicates Z: 13 26.914 2.135 0.881 0.915 0.917 0.583 CB 1.491 13 residues pruned to eliminate duplicates Z: 6 4.964 1.686 0.602 0.810 0.800 0.400 CA 0.785 6 residues pruned to eliminate duplicates Z: 35 16.440 1.964 0.308 0.449 0.853 0.559 CB 1.356 35 residues pruned to eliminate duplicates Z: 8 5.554 1.686 0.316 0.603 0.857 0.714 CB 1.000 8 residues pruned to eliminate duplicates Z: 18 22.555 1.944 0.633 0.868 1.000 0.588 CB 1.260 18 residues pruned to eliminate duplicates Z: 11 15.818 1.843 0.465 0.839 1.000 0.700 CB 1.384 11 residues pruned to eliminate duplicates Z: 7 6.601 1.732 0.291 0.466 1.000 0.500 CB 1.247 8 residues pruned to eliminate duplicates Z: 35 24.138 2.076 0.343 0.612 0.971 0.529 CB 1.376 37 residues pruned to eliminate duplicates Z: 8 9.885 1.889 0.302 0.815 1.000 0.714 CB 1.155 8 residues pruned to eliminate duplicates Z: 19 18.684 1.933 0.435 0.777 0.944 0.611 CB 1.317 19 residues pruned to eliminate duplicates Z: 24 18.483 1.980 0.301 0.848 0.957 0.652 CA 1.160 24 residues pruned to eliminate duplicates Z: 9 7.188 1.768 0.145 0.800 0.875 0.500 CB 1.103 9 residues pruned to eliminate duplicates Z: 15 16.739 1.968 0.510 0.888 0.857 0.643 CA 1.265 15 residues pruned to eliminate duplicates Z: 8 7.106 1.628 0.228 0.818 1.000 0.714 CB 1.019 8 residues pruned to eliminate duplicates Z: 24 22.550 1.994 0.432 0.873 1.000 0.609 CA 1.200 24 residues pruned to eliminate duplicates Z: 7 8.624 1.741 0.192 0.889 1.000 0.833 CA 1.222 7 residues pruned to eliminate duplicates Z: 64 35.094 1.943 0.676 0.653 0.921 0.540 CB 1.279 62 residues pruned to eliminate duplicates Z: 8 8.148 1.720 0.256 0.631 0.857 0.857 CA 1.470 8 residues pruned to eliminate duplicates Z: 10 22.679 1.993 0.766 0.917 1.000 0.778 CA 1.516 10 residues pruned to eliminate duplicates Z: 18 29.145 2.179 0.620 0.890 1.000 0.706 CB 1.441 18 residues pruned to eliminate duplicates Z: 9 8.376 1.633 0.128 0.901 1.000 0.875 CB 1.148 9 residues pruned to eliminate duplicates Z: 13 6.896 1.642 0.513 0.413 0.833 0.500 CB 1.053 13 residues pruned to eliminate duplicates Z: 11 6.899 2.018 0.162 0.247 0.900 0.500 CB 1.385 12 residues pruned to eliminate duplicates Z: 11 15.644 1.806 0.373 0.880 1.000 0.700 CB 1.446 11 residues pruned to eliminate duplicates Z: 14 13.431 1.764 0.327 0.862 0.923 0.769 CA 1.266 14 residues pruned to eliminate duplicates Z: 13 28.065 2.044 0.966 0.915 1.000 0.917 CB 1.426 13 residues pruned to eliminate duplicates Z: 37 27.287 1.984 0.826 0.617 0.833 0.611 CB 1.348 34 residues pruned to eliminate duplicates Z: 6 2.387 1.311 0.930 0.496 0.600 0.400 CB 0.706 Z: 12 17.626 1.873 0.938 0.875 1.000 0.636 CA 1.065 14 residues pruned to eliminate duplicates Z: 9 11.059 1.679 0.429 0.873 1.000 1.000 CB 1.187 9 residues pruned to eliminate duplicates Z: 12 10.667 1.932 0.474 0.416 0.909 0.636 CB 1.356 15 residues pruned to eliminate duplicates Z: 16 16.857 1.980 0.584 0.874 0.933 0.600 CA 1.082 16 residues pruned to eliminate duplicates Z: 6 5.037 1.592 0.421 0.821 0.800 0.400 CB 0.942 6 residues pruned to eliminate duplicates Z: 21 27.109 2.074 0.680 0.928 0.900 0.200 CB 1.353 21 residues pruned to eliminate duplicates Z: 8 11.287 1.696 0.905 0.731 0.857 0.714 CB 1.252 Z: 24 25.981 2.028 0.531 0.906 1.000 0.739 CA 1.241 24 residues pruned to eliminate duplicates 6 1.532 1.036 0.572 0.333 0.800 0.400 CB 0.631 ? Z: 7 6.874 1.550 0.320 0.857 1.000 0.833 CB 1.011 7 residues pruned to eliminate duplicates Z: 59 25.649 1.921 0.547 0.413 0.879 0.500 CB 1.411 59 residues pruned to eliminate duplicates Z: 13 21.486 1.870 0.643 0.917 1.000 0.583 CB 1.425 13 residues pruned to eliminate duplicates Z: 19 18.584 2.001 0.597 0.663 0.889 0.833 CA 1.326 19 residues pruned to eliminate duplicates Z: 18 14.917 1.974 0.814 0.502 0.824 0.588 CB 1.224 18 residues pruned to eliminate duplicates Z: 9 13.568 1.900 0.437 0.745 1.000 0.625 CA 1.411 9 residues pruned to eliminate duplicates Z: 13 23.115 1.848 1.003 0.882 1.000 0.333 CA 1.304 13 residues pruned to eliminate duplicates Z: 11 15.708 1.979 0.769 0.794 1.000 0.800 CA 1.097 11 residues pruned to eliminate duplicates Z: 9 11.793 2.193 0.242 0.875 0.875 0.750 CB 1.272 9 residues pruned to eliminate duplicates Z: 8 6.028 1.713 0.493 0.688 1.000 0.857 CB 0.750 8 residues pruned to eliminate duplicates Z: 12 9.089 1.873 0.408 0.514 0.909 0.636 CB 1.127 12 residues pruned to eliminate duplicates Z: 21 10.893 1.703 0.374 0.393 0.900 0.600 CB 1.295 22 residues pruned to eliminate duplicates Z: 8 5.238 1.642 0.584 0.389 0.857 0.571 CB 0.998 Z: 6 2.165 1.371 0.242 0.489 0.600 0.600 CB 0.958 6 residues pruned to eliminate duplicates Z: 7 3.327 1.677 -0.032 0.547 0.833 0.500 CB 0.959 Z: 11 10.962 1.881 0.018 0.890 1.000 1.000 CB 1.302 11 residues pruned to eliminate duplicates Z: 11 21.634 2.090 0.772 0.916 0.900 0.300 CB 1.450 11 residues pruned to eliminate duplicates Z: 8 6.385 1.925 0.285 0.519 0.714 0.429 CA 1.340 8 residues pruned to eliminate duplicates Z: 8 9.466 1.776 0.167 0.864 1.000 0.571 CB 1.266 8 residues pruned to eliminate duplicates Z: 25 30.598 1.938 0.911 0.904 0.958 0.458 CB 1.254 23 residues pruned to eliminate duplicates Z: 23 32.046 2.062 0.815 0.934 1.000 0.409 CB 1.273 23 residues pruned to eliminate duplicates Z: 10 4.043 1.406 0.335 0.320 0.778 0.667 CB 1.125 Z: 14 7.279 1.639 0.183 0.464 0.846 0.615 CA 1.277 22 residues pruned to eliminate duplicates Z: 39 21.824 1.911 0.416 0.569 0.921 0.632 CB 1.330 39 residues pruned to eliminate duplicates Z: 14 26.680 2.184 0.926 0.779 0.923 0.231 CB 1.490 14 residues pruned to eliminate duplicates Z: 23 38.561 2.115 0.870 0.932 1.000 0.455 CB 1.451 23 residues pruned to eliminate duplicates Z: 11 8.104 1.773 0.139 0.778 0.800 0.500 CB 1.241 11 residues pruned to eliminate duplicates Z: 51 27.023 1.919 0.702 0.612 0.840 0.500 CB 1.253 54 residues pruned to eliminate duplicates Z: 8 4.180 1.584 0.171 0.478 1.000 0.429 CB 0.871 Z: 10 9.041 1.730 0.570 0.896 0.889 0.667 CB 0.894 10 residues pruned to eliminate duplicates Z: 15 17.417 1.840 0.891 0.637 0.857 0.286 CB 1.373 15 residues pruned to eliminate duplicates Z: 12 29.211 2.008 1.097 0.941 1.000 0.636 CA 1.451 12 residues pruned to eliminate duplicates Z: 22 37.841 2.127 1.052 0.928 0.952 0.714 CB 1.391 24 residues pruned to eliminate duplicates Z: 6 5.584 1.762 -0.199 0.877 1.000 1.000 CA 1.285 6 residues pruned to eliminate duplicates Z: 17 18.600 1.952 0.451 0.908 1.000 0.688 CB 1.166 17 residues pruned to eliminate duplicates Z: 8 6.999 1.929 0.741 0.862 0.714 0.714 CB 0.810 8 residues pruned to eliminate duplicates Z: 14 20.941 1.955 0.789 0.889 0.923 0.846 CA 1.295 14 residues pruned to eliminate duplicates Z: 12 12.585 1.980 0.238 0.886 0.909 0.818 CB 1.229 12 residues pruned to eliminate duplicates Z: 6 2.472 1.712 0.175 0.335 0.600 0.400 CB 1.097 Z: 10 15.180 1.858 0.407 0.892 1.000 0.556 CB 1.391 10 residues pruned to eliminate duplicates Z: 10 10.446 1.631 0.493 0.868 1.000 0.556 CB 1.046 10 residues pruned to eliminate duplicates Z: 16 28.347 2.112 0.830 0.868 0.933 0.467 CB 1.483 16 residues pruned to eliminate duplicates Z: 24 17.719 1.919 0.299 0.902 0.957 0.696 CA 1.105 24 residues pruned to eliminate duplicates Z: 27 25.951 2.008 0.551 0.858 1.000 0.692 CB 1.203 28 residues pruned to eliminate duplicates Z: 11 21.220 1.923 0.738 0.871 1.000 0.800 CA 1.464 10 residues pruned to eliminate duplicates Z: 9 7.893 1.632 0.481 0.607 1.000 0.750 CB 1.043 8 residues pruned to eliminate duplicates Z: 10 11.638 1.669 0.541 0.823 0.889 0.667 CB 1.282 10 residues pruned to eliminate duplicates Z: 9 2.890 1.355 0.327 0.252 0.750 0.375 CB 1.008 Z: 7 12.187 1.986 0.332 0.839 1.000 0.667 CA 1.405 7 residues pruned to eliminate duplicates Z: 9 6.639 1.656 0.064 0.920 1.000 0.875 CB 0.938 9 residues pruned to eliminate duplicates Z: 10 13.930 1.823 0.387 0.851 0.889 0.889 CB 1.529 10 residues pruned to eliminate duplicates Z: 24 15.020 1.901 0.177 0.848 0.957 0.652 CA 1.085 24 residues pruned to eliminate duplicates Z: 6 4.861 1.349 0.608 0.581 1.000 0.800 N 0.927 7 0.540 1.327 0.082 0.236 0.500 0.500 CB 0.418 ? Z: 37 25.374 1.942 0.418 0.742 0.944 0.611 CB 1.309 37 residues pruned to eliminate duplicates Z: 12 6.458 1.665 0.228 0.482 0.818 0.364 CA 1.184 12 residues pruned to eliminate duplicates Z: 37 20.396 1.952 0.616 0.483 0.806 0.500 CA 1.361 37 residues pruned to eliminate duplicates Z: 10 10.804 1.619 0.554 0.770 1.000 0.667 CB 1.127 10 residues pruned to eliminate duplicates Z: 13 18.777 2.002 0.525 0.873 1.000 0.833 CA 1.293 13 residues pruned to eliminate duplicates Z: 15 15.812 1.944 0.307 0.800 0.929 0.643 CA 1.378 15 residues pruned to eliminate duplicates Z: 10 5.343 1.453 0.239 0.504 0.889 0.556 CB 1.108 Z: 47 26.282 1.946 0.358 0.661 0.978 0.630 CB 1.291 47 residues pruned to eliminate duplicates Z: 13 15.644 1.929 0.426 0.895 1.000 0.750 CA 1.177 13 residues pruned to eliminate duplicates Z: 24 24.367 2.036 0.372 0.923 1.000 0.783 CA 1.278 24 residues pruned to eliminate duplicates Z: 16 8.718 1.752 0.293 0.508 0.800 0.667 CB 1.232 16 residues pruned to eliminate duplicates Z: 6 3.049 1.556 0.463 0.869 0.800 0.600 CB 0.547 6 residues pruned to eliminate duplicates Z: 22 22.901 2.026 0.478 0.847 0.905 0.429 CA 1.369 22 residues pruned to eliminate duplicates Z: 16 27.395 1.899 0.934 0.910 1.000 0.467 CB 1.365 16 residues pruned to eliminate duplicates Z: 6 3.147 1.502 0.754 0.479 0.600 0.600 CB 0.910 Z: 11 21.089 2.018 0.694 0.900 1.000 0.800 CA 1.394 11 residues pruned to eliminate duplicates Z: 21 29.069 2.030 0.870 0.842 0.900 0.750 CB 1.417 21 residues pruned to eliminate duplicates Z: 25 19.339 1.979 0.454 0.579 0.875 0.750 CB 1.454 25 residues pruned to eliminate duplicates Z: 12 20.911 2.000 0.619 0.893 1.000 0.727 CB 1.397 12 residues pruned to eliminate duplicates Z: 12 17.961 1.912 0.839 0.852 1.000 0.909 CB 1.139 13 residues pruned to eliminate duplicates Z: 6 4.172 1.303 0.443 0.659 0.800 0.600 CA 1.070 Z: 13 22.799 1.932 0.911 0.902 0.917 0.667 CA 1.387 13 residues pruned to eliminate duplicates Z: 8 8.246 1.578 0.548 0.768 0.857 0.286 N 1.174 8 residues pruned to eliminate duplicates Z: 6 2.525 1.342 0.386 0.260 1.000 0.400 N 0.799 Z: 9 8.397 1.700 0.547 0.828 1.000 0.625 CB 0.850 9 residues pruned to eliminate duplicates Z: 7 13.523 1.817 0.570 0.892 1.000 1.000 CA 1.391 7 residues pruned to eliminate duplicates Z: 24 36.711 2.033 0.854 0.929 1.000 0.522 CB 1.422 24 residues pruned to eliminate duplicates Z: 33 27.010 1.987 0.768 0.553 0.906 0.406 CB 1.424 33 residues pruned to eliminate duplicates Z: 12 19.295 2.050 0.700 0.858 0.909 0.818 CB 1.352 12 residues pruned to eliminate duplicates Z: 8 4.264 1.512 0.699 0.430 0.714 0.571 CB 0.945 6 0.628 1.577 -0.243 0.406 0.400 0.400 CB 0.650 ? Z: 6 2.027 1.362 0.406 0.300 1.000 0.400 N 0.592 Z: 10 10.771 1.630 0.453 0.802 1.000 0.333 CB 1.164 10 residues pruned to eliminate duplicates Z: 15 8.641 1.935 0.256 0.375 0.929 0.714 CB 1.169 13 residues pruned to eliminate duplicates Z: 11 20.984 2.041 0.906 0.813 1.000 0.400 CA 1.299 11 residues pruned to eliminate duplicates Z: 7 5.341 1.619 0.415 0.562 0.833 0.667 CB 1.076 6 residues pruned to eliminate duplicates Z: 16 11.090 1.663 0.525 0.447 0.933 0.600 CB 1.277 16 residues pruned to eliminate duplicates Z: 22 31.864 2.087 0.916 0.919 0.857 0.381 CB 1.429 22 residues pruned to eliminate duplicates Z: 8 11.353 1.884 0.584 0.646 1.000 0.714 CA 1.255 8 residues pruned to eliminate duplicates Z: 17 21.944 1.960 0.542 0.877 1.000 0.812 CB 1.318 17 residues pruned to eliminate duplicates Z: 9 10.691 1.697 0.392 0.847 1.000 0.625 CB 1.187 8 residues pruned to eliminate duplicates 7 1.473 1.404 -0.139 0.370 0.833 0.333 CB 0.686 ? Z: 18 11.060 1.700 0.425 0.580 0.941 0.647 CB 1.089 18 residues pruned to eliminate duplicates Z: 22 14.644 1.785 0.649 0.522 0.905 0.714 CA 1.174 22 residues pruned to eliminate duplicates Z: 11 21.613 2.073 0.985 0.876 1.000 0.800 CB 1.207 11 residues pruned to eliminate duplicates Z: 11 5.994 1.583 0.023 0.886 1.000 0.700 CB 0.845 11 residues pruned to eliminate duplicates Z: 9 7.621 1.624 0.306 0.858 1.000 0.750 CB 0.936 9 residues pruned to eliminate duplicates Z: 12 7.973 1.702 0.210 0.514 0.909 0.727 CA 1.267 12 residues pruned to eliminate duplicates Z: 8 9.459 1.640 0.222 0.830 1.000 0.714 CB 1.342 9 residues pruned to eliminate duplicates Z: 11 8.436 1.454 0.681 0.827 1.000 0.500 CB 0.823 9 residues pruned to eliminate duplicates Z: 11 14.181 1.790 0.350 0.890 1.000 0.800 CB 1.335 11 residues pruned to eliminate duplicates Z: 15 6.465 1.752 0.080 0.365 0.857 0.357 CB 1.233 15 residues pruned to eliminate duplicates Z: 11 6.311 1.633 0.433 0.815 0.900 0.800 CB 0.721 11 residues pruned to eliminate duplicates Z: 10 11.856 1.642 0.544 0.883 1.000 0.444 CB 1.126 10 residues pruned to eliminate duplicates Z: 10 11.394 1.696 0.578 0.855 1.000 0.889 CB 1.048 10 residues pruned to eliminate duplicates Z: 25 20.986 1.950 0.711 0.637 0.917 0.417 CB 1.233 25 residues pruned to eliminate duplicates Z: 9 4.009 1.740 0.595 0.215 0.625 0.375 CA 1.144 9 residues pruned to eliminate duplicates Z: 7 10.589 1.772 0.849 0.697 1.000 0.500 N 1.102 Z: 9 3.296 1.409 -0.014 0.538 0.875 0.625 CB 0.923 Z: 7 3.729 0.978 0.722 0.819 1.000 0.667 CB 0.686 Z: 7 2.743 1.493 0.293 0.367 1.000 0.667 CB 0.669 Z: 6 5.880 1.890 0.558 0.295 0.800 0.600 CA 1.404 6 residues pruned to eliminate duplicates Z: 7 7.485 1.716 0.485 0.886 1.000 0.833 CB 0.865 7 residues pruned to eliminate duplicates Z: 19 16.484 1.934 0.641 0.664 0.889 0.556 CB 1.183 19 residues pruned to eliminate duplicates Z: 7 2.643 1.183 0.490 0.443 0.833 0.500 CA 0.780 Z: 24 20.701 2.154 0.479 0.554 0.783 0.478 CB 1.643 24 residues pruned to eliminate duplicates Z: 6 4.414 1.477 0.119 0.591 1.000 0.800 O 1.095 Z: 24 11.635 1.835 0.301 0.579 0.870 0.696 CB 1.084 24 residues pruned to eliminate duplicates Z: 19 19.342 1.874 0.821 0.595 0.944 0.722 CB 1.292 19 residues pruned to eliminate duplicates Z: 6 2.235 1.599 0.298 0.294 0.800 0.800 CB 0.758 6 1.385 1.391 0.415 0.101 0.600 0.200 N 0.873 ? Z: 10 9.420 1.548 0.661 0.903 1.000 1.000 CA 0.870 10 residues pruned to eliminate duplicates Z: 9 8.448 1.740 0.466 0.899 1.000 0.625 CB 0.837 9 residues pruned to eliminate duplicates Z: 25 23.287 1.985 0.355 0.911 1.000 0.833 CA 1.252 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 14.096 1.783 0.798 0.679 1.000 0.583 CB 1.076 13 residues pruned to eliminate duplicates Z: 14 11.867 1.720 0.936 0.622 0.923 0.692 CA 0.955 14 residues pruned to eliminate duplicates Z: 14 11.772 1.774 0.901 0.605 1.000 0.538 CB 0.876 14 residues pruned to eliminate duplicates Z: 16 12.630 1.816 0.785 0.536 0.867 0.667 CB 1.120 16 residues pruned to eliminate duplicates Z: 13 13.774 1.796 0.870 0.692 0.917 0.417 CA 1.084 13 residues pruned to eliminate duplicates Z: 12 20.948 1.957 0.992 0.808 1.000 0.545 CB 1.238 12 residues pruned to eliminate duplicates Z: 12 20.157 1.945 0.967 0.817 1.000 0.545 CB 1.206 12 residues pruned to eliminate duplicates Z: 8 14.221 2.034 0.562 0.821 1.000 0.714 CB 1.280 9 residues pruned to eliminate duplicates Z: 11 17.041 1.939 0.761 0.809 1.000 0.800 CA 1.205 11 residues pruned to eliminate duplicates Z: 13 15.192 1.863 0.825 0.754 0.917 0.417 CB 1.122 13 residues pruned to eliminate duplicates Z: 10 11.929 1.774 0.626 0.559 0.889 0.667 CA 1.464 10 residues pruned to eliminate duplicates Z: 6 2.436 1.401 0.382 0.226 0.800 0.200 CA 0.969 Z: 6 4.109 1.730 0.483 0.100 1.000 0.200 CB 1.193 Z: 7 2.542 1.487 0.361 0.341 0.667 0.500 CB 0.914 Z: 12 23.829 2.071 0.806 0.915 1.000 0.818 CA 1.358 12 residues pruned to eliminate duplicates Z: 13 19.035 2.032 0.578 0.863 0.917 0.833 CA 1.371 13 residues pruned to eliminate duplicates Z: 24 28.286 2.021 0.641 0.791 0.957 0.696 CB 1.440 24 residues pruned to eliminate duplicates Z: 25 30.327 2.006 0.598 0.802 1.000 0.500 CB 1.484 25 residues pruned to eliminate duplicates Z: 12 25.212 2.074 0.823 0.901 1.000 0.636 CA 1.435 12 residues pruned to eliminate duplicates Z: 25 22.313 1.988 0.542 0.748 0.875 0.500 CB 1.361 25 residues pruned to eliminate duplicates Z: 13 24.937 1.974 0.791 0.908 1.000 0.833 CA 1.446 13 residues pruned to eliminate duplicates Z: 26 27.335 1.910 0.714 0.796 0.920 0.640 CB 1.401 26 residues pruned to eliminate duplicates Z: 26 27.288 1.970 0.850 0.736 0.920 0.480 CB 1.317 25 residues pruned to eliminate duplicates Z: 12 29.923 2.066 1.180 0.901 1.000 0.636 CA 1.430 13 residues pruned to eliminate duplicates Z: 6 9.182 1.659 1.055 0.520 1.000 0.200 CB 1.181 6 residues pruned to eliminate duplicates Z: 24 26.092 1.995 0.704 0.767 0.913 0.826 CB 1.382 24 residues pruned to eliminate duplicates Z: 16 18.678 1.930 0.568 0.694 0.933 0.533 CB 1.430 16 residues pruned to eliminate duplicates Z: 16 8.488 1.867 0.131 0.602 0.933 0.667 CB 1.009 16 residues pruned to eliminate duplicates Z: 17 19.330 1.916 0.638 0.677 0.875 0.625 CB 1.496 17 residues pruned to eliminate duplicates Z: 26 24.899 1.924 0.731 0.754 0.920 0.480 CB 1.296 26 residues pruned to eliminate duplicates Z: 24 30.586 2.025 0.734 0.798 0.957 0.609 CB 1.463 24 residues pruned to eliminate duplicates Z: 13 11.521 1.814 0.522 0.684 0.750 0.583 CB 1.356 13 residues pruned to eliminate duplicates Z: 25 31.765 1.971 0.842 0.821 0.917 0.667 CB 1.474 26 residues pruned to eliminate duplicates Z: 11 15.154 1.780 0.562 0.913 0.900 0.400 CB 1.355 11 residues pruned to eliminate duplicates Z: 25 28.492 2.003 0.775 0.773 0.917 0.625 CB 1.401 25 residues pruned to eliminate duplicates Z: 19 15.662 1.716 0.575 0.601 0.889 0.500 CB 1.395 18 residues pruned to eliminate duplicates Z: 11 18.196 1.807 0.746 0.877 1.000 0.800 CB 1.324 11 residues pruned to eliminate duplicates Z: 6 4.932 1.450 0.500 0.377 1.000 0.400 O 1.157 4 residues pruned to eliminate duplicates Z: 6 2.518 1.586 0.074 0.374 0.800 0.600 CA 0.945 6 residues pruned to eliminate duplicates Z: 12 4.909 1.475 0.200 0.399 0.909 0.545 CA 1.024 12 residues pruned to eliminate duplicates Z: 22 13.089 1.691 0.390 0.504 0.952 0.714 CB 1.271 22 residues pruned to eliminate duplicates Z: 23 13.486 1.639 0.568 0.498 0.955 0.591 CB 1.174 23 residues pruned to eliminate duplicates Z: 11 7.964 1.681 0.223 0.549 1.000 0.600 CB 1.168 11 residues pruned to eliminate duplicates Z: 24 9.162 1.639 0.290 0.373 0.826 0.565 CB 1.253 24 residues pruned to eliminate duplicates Z: 9 9.845 1.779 0.403 0.546 1.000 0.625 CB 1.334 9 residues pruned to eliminate duplicates Z: 8 6.647 1.770 -0.015 0.604 1.000 0.714 CB 1.305 8 residues pruned to eliminate duplicates Z: 13 8.218 1.818 0.507 0.340 0.750 0.417 CA 1.375 13 residues pruned to eliminate duplicates Z: 12 11.757 1.745 0.378 0.459 1.000 0.545 CA 1.537 12 residues pruned to eliminate duplicates Z: 33 19.052 2.006 0.503 0.418 0.812 0.531 CB 1.498 33 residues pruned to eliminate duplicates Z: 28 22.102 1.967 0.632 0.438 0.889 0.519 CA 1.590 28 residues pruned to eliminate duplicates Z: 11 5.920 1.659 0.360 0.386 0.800 0.300 C 1.170 11 residues pruned to eliminate duplicates Z: 27 23.766 2.032 0.689 0.489 0.885 0.385 CA 1.553 27 residues pruned to eliminate duplicates Z: 26 20.742 2.064 0.739 0.518 0.800 0.440 CB 1.418 26 residues pruned to eliminate duplicates Z: 24 18.195 2.116 0.476 0.445 0.783 0.435 CA 1.642 24 residues pruned to eliminate duplicates Z: 25 20.304 2.015 0.675 0.464 0.833 0.458 CB 1.529 25 residues pruned to eliminate duplicates Z: 25 24.990 2.144 0.621 0.502 0.958 0.417 CB 1.529 25 residues pruned to eliminate duplicates Z: 23 22.484 2.143 0.582 0.483 0.864 0.545 CA 1.665 23 residues pruned to eliminate duplicates Z: 15 15.841 2.113 0.703 0.489 0.786 0.429 CA 1.515 15 residues pruned to eliminate duplicates Z: 25 27.959 2.160 0.781 0.508 0.917 0.458 CA 1.606 25 residues pruned to eliminate duplicates Z: 52 26.275 2.008 0.491 0.466 0.902 0.490 CB 1.411 52 residues pruned to eliminate duplicates Z: 20 21.035 2.170 0.669 0.550 0.842 0.526 CB 1.507 20 residues pruned to eliminate duplicates Z: 38 21.958 1.992 0.570 0.429 0.838 0.595 CB 1.483 38 residues pruned to eliminate duplicates Z: 25 19.732 1.947 0.663 0.426 0.917 0.583 CA 1.465 25 residues pruned to eliminate duplicates Z: 20 22.621 2.174 0.556 0.515 1.000 0.474 CA 1.512 20 residues pruned to eliminate duplicates Z: 20 27.799 2.169 0.818 0.564 1.000 0.579 CA 1.520 20 residues pruned to eliminate duplicates Z: 31 25.199 2.038 0.610 0.496 0.900 0.567 CB 1.564 31 residues pruned to eliminate duplicates Z: 26 22.202 2.089 0.685 0.493 0.840 0.640 CA 1.512 26 residues pruned to eliminate duplicates Z: 45 26.537 1.990 0.624 0.485 0.886 0.545 CB 1.418 45 residues pruned to eliminate duplicates Z: 48 28.898 2.051 0.690 0.486 0.872 0.553 CB 1.413 48 residues pruned to eliminate duplicates Z: 34 24.529 1.922 0.605 0.463 0.939 0.576 CA 1.530 34 residues pruned to eliminate duplicates Z: 22 20.325 2.118 0.541 0.493 0.905 0.619 CA 1.512 22 residues pruned to eliminate duplicates Z: 30 17.867 2.017 0.335 0.479 0.897 0.517 CB 1.403 30 residues pruned to eliminate duplicates Z: 49 21.909 1.976 0.535 0.447 0.812 0.479 CB 1.354 49 residues pruned to eliminate duplicates Z: 43 28.425 2.069 0.499 0.518 0.905 0.476 CB 1.535 43 residues pruned to eliminate duplicates Z: 15 8.329 1.795 0.422 0.516 0.786 0.571 CB 1.092 15 residues pruned to eliminate duplicates Z: 13 10.238 1.700 0.646 0.624 0.833 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 23 16.822 1.901 0.568 0.508 0.818 0.545 CB 1.459 23 residues pruned to eliminate duplicates Z: 13 10.006 1.871 0.496 0.597 0.833 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 44 29.104 2.010 0.473 0.655 0.977 0.535 CB 1.328 44 residues pruned to eliminate duplicates Z: 25 13.919 1.919 0.335 0.450 0.833 0.333 CB 1.401 25 residues pruned to eliminate duplicates Z: 26 18.460 1.945 0.464 0.512 0.920 0.600 CB 1.393 26 residues pruned to eliminate duplicates Z: 22 17.576 1.961 0.566 0.491 0.857 0.571 CB 1.470 22 residues pruned to eliminate duplicates Z: 22 19.195 1.959 0.569 0.529 0.905 0.571 CB 1.464 22 residues pruned to eliminate duplicates Z: 48 28.557 1.958 0.509 0.665 0.936 0.660 CB 1.293 48 residues pruned to eliminate duplicates Z: 46 28.921 1.995 0.500 0.685 0.956 0.556 CB 1.272 46 residues pruned to eliminate duplicates Z: 23 13.731 1.868 0.272 0.509 0.909 0.591 CB 1.343 23 residues pruned to eliminate duplicates Z: 35 22.576 1.945 0.527 0.640 0.941 0.706 CA 1.215 35 residues pruned to eliminate duplicates Z: 13 13.272 1.994 0.455 0.419 0.917 0.667 CA 1.568 13 residues pruned to eliminate duplicates Z: 18 9.258 1.796 0.260 0.339 0.824 0.588 N 1.437 18 residues pruned to eliminate duplicates Z: 44 31.113 2.020 0.510 0.671 0.953 0.581 CB 1.393 44 residues pruned to eliminate duplicates Z: 30 18.361 1.913 0.435 0.490 0.931 0.621 CA 1.348 30 residues pruned to eliminate duplicates Z: 49 27.219 1.944 0.349 0.718 0.938 0.646 CB 1.312 49 residues pruned to eliminate duplicates Z: 13 10.255 1.934 0.395 0.368 0.833 0.500 CA 1.517 13 residues pruned to eliminate duplicates Z: 27 16.471 1.873 0.458 0.404 1.000 0.538 CB 1.309 27 residues pruned to eliminate duplicates Z: 24 15.205 1.873 0.576 0.360 0.913 0.348 CB 1.367 24 residues pruned to eliminate duplicates Z: 33 21.698 2.008 0.408 0.662 0.906 0.656 CA 1.288 33 residues pruned to eliminate duplicates Z: 38 21.352 1.958 0.290 0.669 0.973 0.676 CA 1.222 38 residues pruned to eliminate duplicates Z: 44 22.556 1.969 0.267 0.636 0.884 0.674 CA 1.373 44 residues pruned to eliminate duplicates Z: 32 24.709 1.999 0.488 0.733 0.935 0.581 CA 1.293 32 residues pruned to eliminate duplicates Z: 38 25.082 1.951 0.474 0.620 0.946 0.595 CA 1.354 38 residues pruned to eliminate duplicates Z: 38 30.606 2.002 0.593 0.695 1.000 0.703 CA 1.320 39 residues pruned to eliminate duplicates Z: 23 26.966 2.071 0.603 0.914 1.000 0.727 CA 1.224 24 residues pruned to eliminate duplicates Z: 21 23.251 2.077 0.453 0.908 1.000 0.700 CA 1.224 21 residues pruned to eliminate duplicates Z: 8 13.307 2.081 0.833 0.865 1.000 0.429 CB 0.966 8 residues pruned to eliminate duplicates Z: 37 30.964 1.980 0.686 0.702 0.944 0.333 CB 1.362 36 residues pruned to eliminate duplicates Z: 22 22.663 2.043 0.618 0.900 0.952 0.381 CB 1.122 22 residues pruned to eliminate duplicates Z: 25 24.768 2.054 0.599 0.817 0.917 0.292 CB 1.275 25 residues pruned to eliminate duplicates Z: 32 27.952 1.971 0.687 0.756 0.903 0.355 CB 1.331 32 residues pruned to eliminate duplicates Z: 25 23.432 2.005 0.536 0.815 0.958 0.417 CB 1.232 25 residues pruned to eliminate duplicates Z: 50 29.550 1.923 0.627 0.646 0.918 0.408 CB 1.282 49 residues pruned to eliminate duplicates Z: 26 21.372 1.961 0.593 0.895 0.920 0.240 CB 1.066 26 residues pruned to eliminate duplicates Z: 21 27.281 2.082 0.859 0.929 0.950 0.200 CB 1.162 21 residues pruned to eliminate duplicates Z: 21 16.178 2.017 0.526 0.726 0.850 0.200 CB 1.128 21 residues pruned to eliminate duplicates Z: 42 26.866 1.989 0.584 0.619 0.878 0.439 CB 1.356 42 residues pruned to eliminate duplicates Z: 43 27.208 1.959 0.483 0.620 0.952 0.405 CB 1.355 43 residues pruned to eliminate duplicates Z: 23 30.741 2.119 0.753 0.751 0.909 0.682 CB 1.551 23 residues pruned to eliminate duplicates Z: 26 23.494 1.974 0.564 0.616 0.960 0.600 CB 1.421 19 residues pruned to eliminate duplicates Z: 15 25.576 2.118 0.652 0.753 1.000 0.429 CB 1.559 15 residues pruned to eliminate duplicates Z: 23 31.484 2.124 0.767 0.784 0.909 0.682 CB 1.532 23 residues pruned to eliminate duplicates Z: 24 25.903 2.056 0.804 0.729 0.826 0.435 CB 1.435 24 residues pruned to eliminate duplicates Z: 23 24.771 2.101 0.652 0.754 0.818 0.591 CB 1.484 23 residues pruned to eliminate duplicates Z: 24 29.545 2.049 0.878 0.734 0.957 0.478 CB 1.357 24 residues pruned to eliminate duplicates Z: 23 32.167 2.114 0.852 0.751 0.909 0.455 CB 1.540 23 residues pruned to eliminate duplicates Z: 24 30.357 2.108 0.742 0.803 0.870 0.435 CB 1.521 24 residues pruned to eliminate duplicates Z: 22 30.840 2.115 0.856 0.787 0.905 0.476 CB 1.473 22 residues pruned to eliminate duplicates Z: 23 33.228 2.104 0.801 0.839 0.955 0.591 CB 1.462 23 residues pruned to eliminate duplicates Z: 23 35.311 2.121 0.837 0.885 0.955 0.545 CB 1.461 23 residues pruned to eliminate duplicates Z: 23 27.016 2.119 0.876 0.747 0.773 0.409 CB 1.503 23 residues pruned to eliminate duplicates Z: 28 26.011 1.998 0.667 0.746 0.889 0.593 CB 1.357 28 residues pruned to eliminate duplicates Z: 27 27.316 2.031 0.880 0.709 0.846 0.500 CB 1.372 27 residues pruned to eliminate duplicates Z: 24 30.997 2.121 0.807 0.828 0.870 0.522 CB 1.460 24 residues pruned to eliminate duplicates Z: 20 36.250 2.154 0.938 0.952 0.947 0.526 CB 1.448 20 residues pruned to eliminate duplicates Z: 28 30.060 1.951 0.873 0.743 0.926 0.370 CB 1.375 28 residues pruned to eliminate duplicates Z: 24 33.983 2.133 0.822 0.818 0.870 0.435 CB 1.591 24 residues pruned to eliminate duplicates Z: 24 35.761 2.112 0.876 0.822 0.913 0.565 CB 1.560 24 residues pruned to eliminate duplicates Z: 24 32.870 2.087 0.849 0.848 0.870 0.391 CB 1.515 24 residues pruned to eliminate duplicates Z: 24 38.504 2.127 0.984 0.827 0.913 0.565 CB 1.570 24 residues pruned to eliminate duplicates Z: 25 33.994 2.103 0.902 0.823 0.875 0.292 CB 1.499 25 residues pruned to eliminate duplicates Z: 26 27.902 1.956 0.832 0.786 0.920 0.360 CB 1.316 26 residues pruned to eliminate duplicates Z: 25 13.238 1.924 0.376 0.494 0.917 0.583 CB 1.121 25 residues pruned to eliminate duplicates Z: 42 28.540 1.981 0.681 0.650 0.951 0.488 CB 1.223 42 residues pruned to eliminate duplicates Z: 46 37.555 2.075 0.722 0.770 0.933 0.511 CB 1.322 52 residues pruned to eliminate duplicates Z: 8 3.756 1.560 0.278 0.565 0.714 0.571 CA 0.936 8 residues pruned to eliminate duplicates Z: 46 28.773 1.989 0.579 0.673 0.933 0.444 CB 1.247 42 residues pruned to eliminate duplicates Z: 6 9.671 1.889 0.630 0.850 1.000 0.200 CB 1.041 6 residues pruned to eliminate duplicates Z: 62 37.284 2.041 0.722 0.695 0.885 0.393 CB 1.285 64 residues pruned to eliminate duplicates Z: 7 8.254 1.777 0.521 0.856 1.000 0.667 CB 0.919 7 residues pruned to eliminate duplicates Z: 44 28.912 2.021 0.657 0.664 0.930 0.628 CB 1.216 44 residues pruned to eliminate duplicates Z: 15 8.946 1.765 0.590 0.505 0.929 0.643 CB 0.913 15 residues pruned to eliminate duplicates Z: 35 31.604 2.057 0.889 0.648 0.912 0.676 CB 1.333 35 residues pruned to eliminate duplicates Z: 23 23.008 2.050 0.945 0.630 0.909 0.591 CB 1.198 23 residues pruned to eliminate duplicates Z: 23 19.960 1.987 0.693 0.704 0.909 0.636 CB 1.156 23 residues pruned to eliminate duplicates Z: 44 30.169 2.041 0.781 0.655 0.907 0.651 CB 1.208 44 residues pruned to eliminate duplicates Z: 11 17.236 1.969 0.795 0.855 1.000 0.800 CB 1.139 11 residues pruned to eliminate duplicates Z: 64 44.146 2.047 0.770 0.711 0.937 0.651 CB 1.354 62 residues pruned to eliminate duplicates Z: 18 18.937 1.967 0.524 0.898 0.941 0.529 CB 1.164 18 residues pruned to eliminate duplicates Z: 38 32.178 2.066 0.896 0.653 0.919 0.622 CB 1.274 38 residues pruned to eliminate duplicates Z: 36 35.058 2.112 0.886 0.710 0.914 0.657 CB 1.345 44 residues pruned to eliminate duplicates Z: 14 19.345 1.976 0.821 0.830 0.923 0.538 CB 1.215 14 residues pruned to eliminate duplicates Z: 70 43.696 2.023 0.865 0.680 0.899 0.594 CB 1.315 62 residues pruned to eliminate duplicates Z: 14 24.864 2.073 1.099 0.690 0.923 0.615 CB 1.443 14 residues pruned to eliminate duplicates Z: 44 31.470 2.032 0.883 0.658 0.907 0.628 CB 1.195 44 residues pruned to eliminate duplicates Z: 24 22.702 2.063 0.694 0.648 0.913 0.652 CB 1.293 25 residues pruned to eliminate duplicates Z: 16 16.110 2.065 0.590 0.781 0.933 0.733 CA 1.059 16 residues pruned to eliminate duplicates Z: 33 21.710 1.989 0.597 0.641 0.875 0.719 CB 1.210 33 residues pruned to eliminate duplicates Z: 27 19.149 1.873 0.713 0.579 0.885 0.731 CA 1.226 25 residues pruned to eliminate duplicates Z: 12 24.089 2.168 0.798 0.908 1.000 0.727 CA 1.324 12 residues pruned to eliminate duplicates Z: 24 25.947 2.192 0.458 0.733 1.000 0.565 CA 1.373 24 residues pruned to eliminate duplicates Z: 36 24.081 1.992 0.685 0.636 0.886 0.629 CB 1.205 37 residues pruned to eliminate duplicates Z: 11 27.613 2.198 1.166 0.918 0.900 0.500 CA 1.437 11 residues pruned to eliminate duplicates Z: 45 26.156 1.994 0.623 0.625 0.932 0.614 CB 1.162 45 residues pruned to eliminate duplicates Z: 22 18.860 1.931 0.684 0.659 0.905 0.571 CB 1.207 22 residues pruned to eliminate duplicates Z: 38 25.105 1.967 0.677 0.628 0.892 0.568 CA 1.243 38 residues pruned to eliminate duplicates Z: 15 17.548 1.944 0.832 0.722 0.857 0.571 CB 1.257 15 residues pruned to eliminate duplicates Z: 43 25.932 1.981 0.702 0.658 0.881 0.500 CB 1.163 43 residues pruned to eliminate duplicates Z: 44 27.740 2.041 0.661 0.659 0.907 0.442 CB 1.187 45 residues pruned to eliminate duplicates Z: 14 20.890 2.049 0.938 0.767 0.923 0.538 CB 1.248 14 residues pruned to eliminate duplicates Z: 37 29.792 2.059 0.763 0.659 0.972 0.556 CB 1.214 37 residues pruned to eliminate duplicates Z: 68 42.133 1.991 0.780 0.685 0.940 0.567 CB 1.304 68 residues pruned to eliminate duplicates Z: 8 3.985 1.722 0.343 0.611 1.000 0.143 CB 0.587 8 residues pruned to eliminate duplicates Z: 36 23.944 2.057 0.769 0.593 0.857 0.371 CB 1.187 36 residues pruned to eliminate duplicates Z: 11 8.016 1.659 0.464 0.506 0.900 0.400 CB 1.152 11 residues pruned to eliminate duplicates Z: 14 16.300 1.986 0.607 0.700 0.846 0.769 CB 1.395 14 residues pruned to eliminate duplicates Z: 13 23.675 2.112 0.844 0.783 0.917 0.833 CB 1.492 13 residues pruned to eliminate duplicates Z: 14 18.100 2.008 0.642 0.716 0.846 0.769 CB 1.480 14 residues pruned to eliminate duplicates Z: 12 21.305 2.007 0.726 0.844 0.909 0.818 CA 1.517 12 residues pruned to eliminate duplicates Z: 13 20.087 2.088 0.721 0.768 0.833 0.750 CB 1.527 13 residues pruned to eliminate duplicates Z: 15 17.844 1.902 0.758 0.700 0.857 0.643 CB 1.387 15 residues pruned to eliminate duplicates Z: 13 21.176 2.088 0.879 0.783 0.917 0.750 CB 1.325 13 residues pruned to eliminate duplicates Z: 13 22.233 2.058 0.772 0.767 0.917 0.750 CB 1.515 13 residues pruned to eliminate duplicates Z: 13 22.642 2.036 0.897 0.778 0.833 0.833 CB 1.589 13 residues pruned to eliminate duplicates Z: 12 21.572 2.108 0.803 0.752 0.909 0.818 CB 1.504 12 residues pruned to eliminate duplicates Z: 12 24.183 2.061 0.799 0.835 1.000 0.818 CA 1.473 12 residues pruned to eliminate duplicates Z: 6 3.893 1.402 0.714 0.345 1.000 0.400 CA 0.857 6 residues pruned to eliminate duplicates Z: 25 14.895 1.726 0.518 0.539 0.875 0.500 CA 1.277 25 residues pruned to eliminate duplicates Z: 16 15.301 1.838 0.629 0.644 0.867 0.800 CA 1.332 16 residues pruned to eliminate duplicates Z: 17 15.824 1.850 0.693 0.543 0.812 0.688 CA 1.491 17 residues pruned to eliminate duplicates Z: 18 17.175 1.839 0.470 0.608 0.941 0.824 CA 1.479 18 residues pruned to eliminate duplicates Z: 26 17.012 1.794 0.555 0.517 0.880 0.600 CA 1.363 26 residues pruned to eliminate duplicates Z: 25 18.894 1.843 0.474 0.581 1.000 0.750 CA 1.314 25 residues pruned to eliminate duplicates Z: 37 19.455 1.771 0.481 0.472 0.917 0.611 CA 1.386 37 residues pruned to eliminate duplicates Z: 16 20.998 1.886 0.707 0.692 1.000 0.867 CA 1.413 16 residues pruned to eliminate duplicates Z: 16 17.057 1.872 0.508 0.674 1.000 0.667 CA 1.329 16 residues pruned to eliminate duplicates Z: 27 18.820 1.785 0.479 0.565 0.962 0.538 CB 1.364 30 residues pruned to eliminate duplicates Z: 11 17.922 1.856 0.544 0.866 1.000 0.700 CA 1.448 11 residues pruned to eliminate duplicates Z: 26 21.730 1.828 0.546 0.587 0.960 0.760 CA 1.474 26 residues pruned to eliminate duplicates Z: 38 29.705 1.907 0.558 0.633 0.973 0.676 CB 1.491 35 residues pruned to eliminate duplicates Z: 12 16.638 1.861 0.487 0.780 1.000 0.545 CB 1.415 12 residues pruned to eliminate duplicates Z: 19 10.768 1.835 0.299 0.520 0.833 0.556 CB 1.253 19 residues pruned to eliminate duplicates Z: 9 4.672 1.760 0.100 0.291 0.875 0.250 N 1.233 9 residues pruned to eliminate duplicates Z: 8 4.852 1.738 0.290 0.288 0.857 0.857 CA 1.211 8 residues pruned to eliminate duplicates Z: 26 12.782 1.800 0.349 0.424 0.880 0.400 CB 1.295 26 residues pruned to eliminate duplicates Z: 20 7.770 1.800 0.160 0.363 0.789 0.474 CA 1.253 20 residues pruned to eliminate duplicates Z: 9 6.330 1.739 0.263 0.392 0.875 0.625 CA 1.305 9 residues pruned to eliminate duplicates Z: 16 7.089 1.610 0.420 0.367 0.867 0.533 CB 1.065 16 residues pruned to eliminate duplicates Z: 20 8.045 1.684 0.352 0.364 0.895 0.474 CB 1.049 20 residues pruned to eliminate duplicates Z: 33 16.992 1.771 0.450 0.453 0.938 0.688 CA 1.309 33 residues pruned to eliminate duplicates Z: 27 10.243 1.699 0.308 0.374 0.885 0.462 CB 1.169 27 residues pruned to eliminate duplicates Z: 29 12.529 1.740 0.308 0.459 0.857 0.750 CA 1.265 29 residues pruned to eliminate duplicates Z: 21 9.433 1.659 0.417 0.353 0.850 0.600 CB 1.237 21 residues pruned to eliminate duplicates Z: 20 11.375 1.749 0.427 0.365 0.947 0.684 CB 1.276 19 residues pruned to eliminate duplicates Z: 6 3.160 1.808 -0.082 0.314 0.800 0.600 CB 1.307 Z: 18 18.835 1.910 0.217 0.844 1.000 0.588 CB 1.463 17 residues pruned to eliminate duplicates Z: 17 17.793 1.981 0.227 0.878 1.000 0.875 CB 1.328 17 residues pruned to eliminate duplicates Z: 23 17.103 1.771 0.499 0.664 0.955 0.545 CB 1.236 23 residues pruned to eliminate duplicates Z: 15 19.816 2.136 0.451 0.794 0.857 0.714 CB 1.540 15 residues pruned to eliminate duplicates Z: 15 14.010 1.980 0.171 0.739 0.929 0.571 CA 1.404 15 residues pruned to eliminate duplicates Z: 15 23.042 2.129 0.495 0.873 0.929 0.643 CB 1.517 16 residues pruned to eliminate duplicates Z: 16 16.586 2.041 0.290 0.840 0.867 0.733 CB 1.401 16 residues pruned to eliminate duplicates Z: 19 17.221 1.913 0.439 0.686 0.889 0.611 CA 1.399 15 residues pruned to eliminate duplicates Z: 17 20.064 2.024 0.550 0.837 0.938 0.500 CB 1.275 17 residues pruned to eliminate duplicates Z: 15 16.746 2.016 0.437 0.855 0.857 0.714 CB 1.331 15 residues pruned to eliminate duplicates Z: 15 23.245 2.098 0.659 0.838 0.929 0.643 CB 1.436 15 residues pruned to eliminate duplicates Z: 19 22.325 1.962 0.589 0.774 1.000 0.556 CB 1.325 19 residues pruned to eliminate duplicates Z: 21 16.928 1.860 0.483 0.728 0.950 0.500 CB 1.176 21 residues pruned to eliminate duplicates Z: 72 40.982 1.994 0.591 0.710 0.958 0.535 CB 1.323 72 residues pruned to eliminate duplicates Z: 17 22.904 1.985 0.616 0.793 1.000 0.688 CB 1.380 17 residues pruned to eliminate duplicates Z: 25 21.998 1.946 0.681 0.676 0.958 0.708 CB 1.218 25 residues pruned to eliminate duplicates Z: 17 24.258 2.036 0.929 0.745 0.938 0.562 CB 1.323 17 residues pruned to eliminate duplicates Z: 35 26.384 1.913 0.681 0.720 0.941 0.735 CB 1.225 50 residues pruned to eliminate duplicates Z: 13 20.922 1.997 0.698 0.895 1.000 0.417 CB 1.277 13 residues pruned to eliminate duplicates Z: 33 22.794 1.875 0.515 0.709 0.969 0.562 CB 1.212 33 residues pruned to eliminate duplicates Z: 41 18.267 1.798 0.478 0.620 0.900 0.550 CB 1.078 41 residues pruned to eliminate duplicates Z: 32 21.722 1.932 0.635 0.622 0.935 0.581 CB 1.176 32 residues pruned to eliminate duplicates Z: 32 19.269 1.803 0.628 0.607 0.871 0.581 CB 1.223 32 residues pruned to eliminate duplicates Z: 28 21.646 1.945 0.604 0.638 0.963 0.519 CB 1.219 28 residues pruned to eliminate duplicates Z: 15 17.760 1.894 0.747 0.703 0.857 0.357 CB 1.391 15 residues pruned to eliminate duplicates Z: 31 22.187 1.924 0.735 0.641 0.867 0.567 CB 1.227 31 residues pruned to eliminate duplicates Z: 34 25.759 1.908 0.764 0.685 0.939 0.515 CB 1.196 35 residues pruned to eliminate duplicates Z: 16 22.558 2.036 0.826 0.736 0.933 0.267 CB 1.358 16 residues pruned to eliminate duplicates Z: 31 22.927 1.956 0.717 0.613 0.933 0.633 CB 1.200 31 residues pruned to eliminate duplicates Z: 31 18.755 1.891 0.556 0.625 0.900 0.467 CB 1.149 31 residues pruned to eliminate duplicates Z: 29 21.587 1.938 0.634 0.671 0.929 0.571 CB 1.184 29 residues pruned to eliminate duplicates Z: 33 21.290 1.839 0.612 0.709 0.906 0.688 CB 1.159 33 residues pruned to eliminate duplicates Z: 44 22.335 1.844 0.579 0.603 0.953 0.581 CB 1.112 35 residues pruned to eliminate duplicates Z: 6 5.279 1.335 1.004 0.439 1.000 0.800 CA 0.939 6 residues pruned to eliminate duplicates Z: 36 24.379 1.898 0.586 0.706 0.971 0.657 CB 1.168 36 residues pruned to eliminate duplicates Z: 37 21.190 1.816 0.544 0.619 0.944 0.639 CB 1.192 38 residues pruned to eliminate duplicates Z: 13 7.798 1.552 0.264 0.740 1.000 1.000 CA 0.925 13 residues pruned to eliminate duplicates Z: 36 25.297 1.892 0.697 0.700 0.971 0.543 CB 1.143 36 residues pruned to eliminate duplicates Z: 35 25.679 1.865 0.713 0.726 0.941 0.588 CB 1.195 35 residues pruned to eliminate duplicates Z: 24 19.124 1.867 0.786 0.608 0.870 0.565 CB 1.241 24 residues pruned to eliminate duplicates Z: 35 26.068 1.901 0.693 0.717 0.971 0.676 CB 1.176 35 residues pruned to eliminate duplicates Z: 25 17.130 1.760 0.573 0.612 0.917 0.708 CB 1.238 25 residues pruned to eliminate duplicates Z: 43 21.052 1.858 0.532 0.597 0.881 0.524 CB 1.181 43 residues pruned to eliminate duplicates Z: 28 13.761 1.728 0.389 0.550 0.926 0.704 CB 1.135 28 residues pruned to eliminate duplicates Z: 42 21.582 1.859 0.555 0.611 0.927 0.537 CB 1.133 42 residues pruned to eliminate duplicates Z: 44 18.007 1.761 0.554 0.560 0.907 0.558 CB 1.043 43 residues pruned to eliminate duplicates Z: 10 6.373 1.667 0.108 0.867 1.000 0.778 CA 0.841 10 residues pruned to eliminate duplicates Z: 12 4.978 1.597 0.114 0.349 0.909 0.455 CB 1.092 12 residues pruned to eliminate duplicates Z: 11 4.474 1.618 0.090 0.395 0.800 0.400 CB 1.120 11 residues pruned to eliminate duplicates Z: 11 6.437 1.618 0.145 0.430 1.000 0.600 CB 1.182 12 residues pruned to eliminate duplicates Z: 6 5.811 1.800 0.412 0.256 1.000 0.400 CB 1.353 6 residues pruned to eliminate duplicates Z: 6 4.896 1.520 0.799 0.309 1.000 0.400 CB 0.990 Z: 10 11.637 1.821 0.528 0.699 0.889 0.778 CB 1.309 10 residues pruned to eliminate duplicates Z: 11 13.152 1.836 0.569 0.719 0.900 0.800 CB 1.316 10 residues pruned to eliminate duplicates Z: 8 12.317 2.014 0.443 0.853 1.000 1.000 CB 1.184 8 residues pruned to eliminate duplicates Z: 9 11.271 1.897 0.668 0.721 1.000 0.500 CB 1.032 9 residues pruned to eliminate duplicates Z: 9 12.634 1.933 0.454 0.738 1.000 0.625 CB 1.283 9 residues pruned to eliminate duplicates Z: 10 10.331 1.747 0.400 0.618 1.000 0.556 CB 1.259 10 residues pruned to eliminate duplicates Z: 41 25.470 1.969 0.401 0.729 0.925 0.525 CB 1.285 41 residues pruned to eliminate duplicates Z: 41 26.018 1.960 0.436 0.703 0.925 0.500 CB 1.313 41 residues pruned to eliminate duplicates Z: 18 12.828 1.843 0.268 0.588 0.941 0.765 CB 1.300 18 residues pruned to eliminate duplicates Z: 18 13.209 1.832 0.336 0.569 0.941 0.647 CB 1.301 18 residues pruned to eliminate duplicates Z: 42 25.887 1.973 0.421 0.671 0.927 0.439 CB 1.329 42 residues pruned to eliminate duplicates Z: 19 13.013 1.833 0.244 0.626 0.944 0.778 CB 1.265 19 residues pruned to eliminate duplicates Z: 17 10.030 1.825 0.194 0.525 0.812 0.688 CB 1.382 17 residues pruned to eliminate duplicates Z: 43 26.908 1.951 0.445 0.657 0.952 0.643 CB 1.336 44 residues pruned to eliminate duplicates Z: 6 2.274 1.431 0.675 0.230 0.600 0.200 O 0.970 Z: 28 28.122 1.965 0.629 0.841 1.000 0.593 CB 1.261 28 residues pruned to eliminate duplicates Z: 38 27.823 1.980 0.458 0.691 0.973 0.676 CB 1.367 39 residues pruned to eliminate duplicates Z: 22 26.077 2.106 0.433 0.891 1.000 0.714 CA 1.356 22 residues pruned to eliminate duplicates Z: 23 32.151 2.148 0.519 0.940 1.000 0.864 CA 1.459 23 residues pruned to eliminate duplicates Z: 25 25.796 2.061 0.422 0.892 0.917 0.583 CB 1.409 25 residues pruned to eliminate duplicates Z: 43 29.443 1.966 0.513 0.711 0.952 0.500 CB 1.324 44 residues pruned to eliminate duplicates Z: 24 26.425 2.040 0.472 0.901 1.000 0.609 CA 1.310 24 residues pruned to eliminate duplicates Z: 22 22.309 2.123 0.264 0.851 0.952 0.857 CA 1.410 22 residues pruned to eliminate duplicates Z: 40 19.434 1.840 0.479 0.537 0.923 0.436 CB 1.194 40 residues pruned to eliminate duplicates Z: 21 28.809 2.168 0.485 0.911 0.950 0.650 CA 1.493 21 residues pruned to eliminate duplicates Z: 23 34.720 2.112 0.715 0.895 1.000 0.545 CA 1.465 24 residues pruned to eliminate duplicates Z: 25 27.890 2.063 0.484 0.913 1.000 0.708 CA 1.316 25 residues pruned to eliminate duplicates Z: 22 27.735 2.142 0.457 0.889 0.952 0.762 CA 1.466 22 residues pruned to eliminate duplicates Z: 24 28.626 2.116 0.491 0.848 1.000 0.609 CA 1.404 24 residues pruned to eliminate duplicates Z: 22 28.889 2.125 0.559 0.879 0.952 0.571 CA 1.448 22 residues pruned to eliminate duplicates Z: 43 26.511 1.952 0.355 0.684 0.952 0.524 CB 1.371 43 residues pruned to eliminate duplicates Z: 24 31.611 2.099 0.623 0.903 0.957 0.652 CB 1.442 24 residues pruned to eliminate duplicates Z: 23 26.798 2.131 0.436 0.867 1.000 0.591 CB 1.366 23 residues pruned to eliminate duplicates Z: 43 29.480 1.969 0.553 0.674 0.952 0.500 CB 1.330 42 residues pruned to eliminate duplicates Z: 25 29.487 2.048 0.733 0.928 0.917 0.417 CB 1.296 25 residues pruned to eliminate duplicates Z: 34 21.188 1.946 0.577 0.664 0.818 0.303 CB 1.262 34 residues pruned to eliminate duplicates Z: 43 24.604 1.955 0.449 0.674 0.881 0.500 CB 1.296 43 residues pruned to eliminate duplicates Z: 22 29.922 2.097 0.737 0.884 0.952 0.333 CB 1.360 22 residues pruned to eliminate duplicates Z: 30 24.616 2.101 0.504 0.716 0.862 0.759 CB 1.380 28 residues pruned to eliminate duplicates Z: 23 23.344 2.082 0.483 0.768 0.909 0.818 CA 1.398 23 residues pruned to eliminate duplicates Z: 23 34.019 2.116 0.924 0.802 0.955 0.818 CB 1.434 26 residues pruned to eliminate duplicates Z: 19 38.430 2.259 0.856 0.940 1.000 0.722 CA 1.500 19 residues pruned to eliminate duplicates Z: 45 39.221 2.109 0.810 0.835 0.932 0.545 CB 1.245 44 residues pruned to eliminate duplicates Z: 20 25.698 2.089 0.408 0.913 1.000 0.632 CA 1.419 20 residues pruned to eliminate duplicates Z: 45 46.582 2.141 0.847 0.829 0.932 0.500 CB 1.434 46 residues pruned to eliminate duplicates Z: 18 31.991 2.200 0.841 0.892 1.000 0.647 CA 1.376 18 residues pruned to eliminate duplicates Z: 22 33.832 2.170 0.899 0.835 0.952 0.762 CB 1.409 22 residues pruned to eliminate duplicates Z: 44 44.559 2.153 0.692 0.838 0.953 0.581 CA 1.463 44 residues pruned to eliminate duplicates Z: 24 35.095 2.077 0.986 0.822 1.000 0.739 CB 1.342 24 residues pruned to eliminate duplicates Z: 22 36.887 2.203 0.835 0.843 1.000 0.571 CB 1.483 22 residues pruned to eliminate duplicates Z: 22 35.339 2.188 0.948 0.809 0.952 0.667 CB 1.451 22 residues pruned to eliminate duplicates Z: 33 34.178 2.142 0.811 0.672 0.969 0.625 CB 1.371 32 residues pruned to eliminate duplicates Z: 22 37.695 2.117 0.984 0.909 1.000 0.667 CB 1.390 22 residues pruned to eliminate duplicates Z: 24 32.100 2.147 0.852 0.782 0.957 0.696 CB 1.372 24 residues pruned to eliminate duplicates Z: 22 38.790 2.188 0.911 0.850 1.000 0.619 CB 1.499 22 residues pruned to eliminate duplicates Z: 28 31.494 2.083 0.806 0.766 0.889 0.407 CB 1.431 28 residues pruned to eliminate duplicates Z: 19 33.152 2.257 0.896 0.875 0.889 0.667 CB 1.494 19 residues pruned to eliminate duplicates Z: 23 33.786 2.131 0.924 0.810 1.000 0.500 CB 1.341 23 residues pruned to eliminate duplicates Z: 23 30.704 2.048 0.844 0.791 1.000 0.364 CB 1.342 23 residues pruned to eliminate duplicates Z: 23 32.812 2.138 0.967 0.816 0.955 0.591 CB 1.324 23 residues pruned to eliminate duplicates Z: 62 43.290 2.110 0.701 0.658 0.934 0.672 CB 1.427 62 residues pruned to eliminate duplicates Z: 22 17.698 2.071 0.658 0.620 0.857 0.571 CB 1.171 22 residues pruned to eliminate duplicates Z: 23 21.022 2.037 0.780 0.638 0.909 0.500 CB 1.195 23 residues pruned to eliminate duplicates Z: 27 15.760 1.892 0.617 0.578 0.846 0.538 CB 1.108 27 residues pruned to eliminate duplicates Z: 50 27.722 2.040 0.439 0.578 0.878 0.673 CB 1.427 50 residues pruned to eliminate duplicates Z: 24 22.685 2.059 0.753 0.629 0.913 0.652 CB 1.271 24 residues pruned to eliminate duplicates Z: 24 23.854 2.041 0.811 0.593 0.870 0.609 CB 1.416 24 residues pruned to eliminate duplicates Z: 49 33.737 2.088 0.647 0.605 0.938 0.625 CB 1.367 49 residues pruned to eliminate duplicates Z: 23 21.497 2.033 0.934 0.630 0.909 0.773 CB 1.134 23 residues pruned to eliminate duplicates Z: 38 27.423 2.002 0.803 0.528 0.865 0.514 CA 1.404 38 residues pruned to eliminate duplicates Z: 22 19.693 2.113 0.666 0.585 0.905 0.667 CB 1.244 22 residues pruned to eliminate duplicates Z: 29 15.521 1.912 0.594 0.481 0.857 0.571 CB 1.144 29 residues pruned to eliminate duplicates Z: 64 30.864 1.997 0.500 0.607 0.905 0.651 CB 1.296 64 residues pruned to eliminate duplicates Z: 26 31.251 2.206 0.495 0.743 0.960 0.920 CA 1.588 26 residues pruned to eliminate duplicates Z: 21 26.962 2.212 0.508 0.693 0.950 0.750 CA 1.596 21 residues pruned to eliminate duplicates Z: 35 31.823 2.097 0.498 0.725 0.941 0.794 CB 1.507 35 residues pruned to eliminate duplicates Z: 43 28.950 2.089 0.497 0.611 0.881 0.619 CB 1.460 43 residues pruned to eliminate duplicates Z: 30 23.002 2.077 0.341 0.634 0.897 0.690 CA 1.508 30 residues pruned to eliminate duplicates Z: 46 33.869 2.080 0.651 0.663 0.911 0.711 CB 1.388 46 residues pruned to eliminate duplicates Z: 28 26.883 2.093 0.528 0.680 0.926 0.741 CB 1.481 28 residues pruned to eliminate duplicates Z: 37 30.633 2.139 0.517 0.636 0.944 0.722 CB 1.467 37 residues pruned to eliminate duplicates Z: 36 21.420 1.907 0.394 0.592 0.914 0.600 CB 1.364 36 residues pruned to eliminate duplicates Z: 29 25.810 2.065 0.575 0.669 0.929 0.679 CB 1.381 29 residues pruned to eliminate duplicates Z: 52 31.883 2.002 0.548 0.616 0.961 0.608 CB 1.343 52 residues pruned to eliminate duplicates Z: 27 23.365 2.047 0.488 0.638 0.885 0.462 CB 1.494 27 residues pruned to eliminate duplicates Z: 31 24.583 2.027 0.527 0.615 0.933 0.733 CB 1.393 31 residues pruned to eliminate duplicates Z: 48 31.734 2.022 0.553 0.648 0.936 0.638 CB 1.371 48 residues pruned to eliminate duplicates Z: 49 32.603 2.056 0.556 0.628 0.938 0.688 CB 1.391 49 residues pruned to eliminate duplicates Z: 58 34.597 2.045 0.516 0.663 0.912 0.667 CB 1.393 58 residues pruned to eliminate duplicates Z: 25 26.352 2.063 0.596 0.640 0.958 0.750 CB 1.495 25 residues pruned to eliminate duplicates Z: 21 25.925 2.071 0.791 0.605 0.850 0.700 CB 1.664 21 residues pruned to eliminate duplicates Z: 45 29.471 1.996 0.523 0.618 0.932 0.727 CB 1.404 45 residues pruned to eliminate duplicates Z: 75 46.166 2.069 0.771 0.679 0.919 0.554 CB 1.352 75 residues pruned to eliminate duplicates Z: 16 32.114 2.192 0.887 0.734 1.000 0.800 CB 1.625 16 residues pruned to eliminate duplicates Z: 26 28.758 1.989 0.859 0.663 0.960 0.600 CB 1.394 26 residues pruned to eliminate duplicates Z: 66 36.139 2.057 0.640 0.622 0.892 0.538 CB 1.327 66 residues pruned to eliminate duplicates Z: 49 31.282 2.050 0.656 0.629 0.896 0.521 CB 1.314 49 residues pruned to eliminate duplicates Z: 28 23.972 1.979 0.777 0.635 0.926 0.481 CB 1.249 28 residues pruned to eliminate duplicates Z: 26 29.280 2.037 0.731 0.698 0.960 0.680 CB 1.443 26 residues pruned to eliminate duplicates Z: 26 25.838 2.037 0.779 0.677 0.880 0.640 CB 1.377 26 residues pruned to eliminate duplicates Z: 59 35.483 2.006 0.668 0.655 0.897 0.517 CB 1.345 59 residues pruned to eliminate duplicates Z: 34 22.329 1.921 0.457 0.629 1.000 0.576 CB 1.230 34 residues pruned to eliminate duplicates Z: 56 37.498 2.049 0.573 0.669 0.964 0.455 CB 1.393 56 residues pruned to eliminate duplicates Z: 29 20.189 1.970 0.437 0.610 0.964 0.429 CB 1.259 29 residues pruned to eliminate duplicates Z: 50 30.938 2.017 0.658 0.621 0.898 0.490 CB 1.313 50 residues pruned to eliminate duplicates Z: 51 35.581 2.012 0.694 0.610 0.960 0.420 CB 1.386 51 residues pruned to eliminate duplicates Z: 46 33.941 2.008 0.735 0.665 0.956 0.600 CB 1.305 46 residues pruned to eliminate duplicates Z: 21 21.270 2.036 0.526 0.686 1.000 0.550 CB 1.290 21 residues pruned to eliminate duplicates Z: 46 30.534 2.019 0.497 0.665 0.933 0.578 CB 1.385 46 residues pruned to eliminate duplicates Z: 31 16.694 1.909 0.541 0.616 0.800 0.500 CB 1.161 31 residues pruned to eliminate duplicates Z: 47 29.420 1.990 0.523 0.649 0.935 0.587 CB 1.332 47 residues pruned to eliminate duplicates Z: 63 39.601 2.051 0.610 0.658 0.935 0.645 CB 1.406 63 residues pruned to eliminate duplicates Z: 48 31.704 2.045 0.611 0.608 0.915 0.574 CB 1.385 48 residues pruned to eliminate duplicates Z: 21 19.166 2.046 0.433 0.656 0.950 0.450 CB 1.332 21 residues pruned to eliminate duplicates Z: 50 35.319 2.072 0.651 0.648 0.939 0.612 CB 1.369 50 residues pruned to eliminate duplicates Z: 25 16.571 1.971 0.438 0.590 0.875 0.542 CB 1.252 25 residues pruned to eliminate duplicates Z: 39 27.451 1.972 0.621 0.668 0.947 0.553 CB 1.259 39 residues pruned to eliminate duplicates Z: 18 22.174 2.068 0.546 0.835 1.000 0.529 CB 1.260 18 residues pruned to eliminate duplicates Z: 25 23.705 1.946 0.835 0.623 0.958 0.583 CB 1.259 25 residues pruned to eliminate duplicates Z: 26 21.134 1.907 0.677 0.606 0.920 0.400 CB 1.299 26 residues pruned to eliminate duplicates Z: 30 29.297 1.979 0.734 0.809 0.966 0.621 CB 1.255 30 residues pruned to eliminate duplicates Z: 47 35.178 2.051 0.808 0.644 0.891 0.630 CB 1.371 47 residues pruned to eliminate duplicates Z: 39 23.598 1.975 0.563 0.629 0.842 0.526 CB 1.303 39 residues pruned to eliminate duplicates Z: 76 46.324 2.020 0.749 0.688 0.947 0.600 CB 1.346 75 residues pruned to eliminate duplicates Z: 14 24.508 2.050 0.906 0.876 1.000 0.615 CB 1.264 14 residues pruned to eliminate duplicates Z: 39 28.450 1.989 0.656 0.685 0.921 0.605 CB 1.283 39 residues pruned to eliminate duplicates Z: 62 43.367 2.035 0.767 0.690 0.951 0.623 CB 1.364 62 residues pruned to eliminate duplicates Z: 72 42.572 1.997 0.613 0.707 0.972 0.606 CB 1.337 72 residues pruned to eliminate duplicates Z: 40 29.251 1.962 0.733 0.658 0.949 0.564 CB 1.254 40 residues pruned to eliminate duplicates Z: 16 19.994 1.931 0.636 0.730 1.000 0.467 CB 1.329 16 residues pruned to eliminate duplicates Z: 77 45.001 2.005 0.718 0.676 0.947 0.684 CB 1.346 77 residues pruned to eliminate duplicates Z: 12 22.413 2.096 0.783 0.894 1.000 0.727 CB 1.297 12 residues pruned to eliminate duplicates Z: 78 39.654 1.997 0.694 0.649 0.909 0.597 CB 1.279 78 residues pruned to eliminate duplicates Z: 16 18.218 1.966 0.528 0.755 1.000 0.600 CB 1.248 16 residues pruned to eliminate duplicates Z: 61 35.562 2.020 0.658 0.627 0.917 0.600 CB 1.327 61 residues pruned to eliminate duplicates Z: 64 37.336 1.985 0.664 0.636 0.968 0.619 CB 1.295 64 residues pruned to eliminate duplicates Z: 72 43.544 2.023 0.720 0.683 0.944 0.577 CB 1.331 72 residues pruned to eliminate duplicates Z: 63 43.803 2.050 0.795 0.664 0.935 0.565 CB 1.387 63 residues pruned to eliminate duplicates Z: 59 33.665 1.906 0.659 0.616 0.948 0.603 CB 1.321 59 residues pruned to eliminate duplicates Z: 32 22.952 1.773 0.635 0.664 0.968 0.742 CB 1.262 32 residues pruned to eliminate duplicates Z: 43 35.489 1.970 0.753 0.767 0.976 0.714 CB 1.282 43 residues pruned to eliminate duplicates Z: 30 25.358 1.894 0.743 0.674 0.931 0.724 CB 1.304 29 residues pruned to eliminate duplicates Z: 16 22.478 2.040 0.753 0.717 1.000 0.733 CB 1.333 16 residues pruned to eliminate duplicates Z: 59 36.856 1.972 0.655 0.689 0.966 0.724 CB 1.292 60 residues pruned to eliminate duplicates Z: 12 21.068 1.975 0.675 0.785 1.000 0.909 CA 1.494 12 residues pruned to eliminate duplicates Z: 11 16.731 1.919 0.407 0.918 1.000 1.000 CA 1.382 11 residues pruned to eliminate duplicates Z: 15 15.696 1.767 0.642 0.700 0.929 0.714 CA 1.297 15 residues pruned to eliminate duplicates Z: 84 46.192 1.967 0.760 0.705 0.940 0.518 CB 1.294 84 residues pruned to eliminate duplicates Z: 18 15.526 1.719 0.607 0.668 0.882 0.824 CA 1.322 12 residues pruned to eliminate duplicates Z: 12 21.972 1.813 0.932 0.861 1.000 0.727 CB 1.390 17 residues pruned to eliminate duplicates Z: 11 22.266 1.766 1.143 0.874 1.000 0.400 CB 1.354 11 residues pruned to eliminate duplicates Z: 11 24.959 1.935 0.988 0.885 1.000 0.600 CB 1.482 11 residues pruned to eliminate duplicates Z: 14 18.682 1.883 0.704 0.725 0.923 0.692 CB 1.428 14 residues pruned to eliminate duplicates Z: 52 38.126 1.985 0.725 0.721 1.000 0.686 CB 1.278 52 residues pruned to eliminate duplicates Z: 9 5.788 1.462 0.572 0.602 0.750 0.375 CB 1.078 9 residues pruned to eliminate duplicates Z: 11 7.268 1.404 0.294 0.702 0.900 0.700 CB 1.170 11 residues pruned to eliminate duplicates Z: 13 7.826 1.617 0.362 0.556 0.833 0.583 CB 1.165 13 residues pruned to eliminate duplicates Z: 9 9.187 1.680 0.201 0.835 1.000 0.875 CB 1.206 9 residues pruned to eliminate duplicates Z: 16 10.327 1.610 0.463 0.537 0.933 0.533 CB 1.169 13 residues pruned to eliminate duplicates Z: 8 7.339 1.651 0.452 0.853 0.857 0.714 CB 0.997 8 residues pruned to eliminate duplicates Z: 11 9.559 1.672 0.408 0.644 1.000 0.300 CB 1.122 11 residues pruned to eliminate duplicates Z: 13 8.356 1.629 0.215 0.654 1.000 0.583 CB 1.055 13 residues pruned to eliminate duplicates Z: 13 7.199 1.622 0.179 0.654 1.000 0.417 CB 0.942 11 residues pruned to eliminate duplicates 517 residues left after pruning, divided into chains as follows: A: 9 B: 11 C: 15 D: 26 E: 88 F: 69 G: 49 H: 17 I: 42 J: 6 K: 8 L: 161 M: 16 CC for partial structure against native data = 37.68 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.381, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.437, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.528, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.763 for dens.mod. cycle 4 = 0.300, Contrast = 0.547, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.553, Connect. = 0.766 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.768 for dens.mod. cycle 7 = 0.300, Contrast = 0.563, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 0.566, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.568, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3000 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 658 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 22.923 2.028 0.312 0.911 1.000 0.950 CB 1.365 B: 23 21.932 2.018 0.240 0.923 1.000 1.000 CA 1.313 23 residues pruned to eliminate duplicates C: 21 24.848 2.063 0.506 0.905 1.000 0.700 CA 1.273 D: 22 20.019 1.990 0.299 0.913 1.000 0.857 CB 1.196 22 residues pruned to eliminate duplicates E: 22 32.385 2.038 0.792 0.935 1.000 0.952 CB 1.348 21 residues pruned to eliminate duplicates F: 20 28.249 2.091 0.624 0.917 1.000 0.842 CA 1.347 20 residues pruned to eliminate duplicates G: 23 29.711 2.116 0.719 0.904 0.909 0.273 CB 1.364 H: 23 26.995 2.069 0.585 0.907 0.955 0.909 CB 1.308 21 residues pruned to eliminate duplicates I: 23 30.183 2.067 0.599 0.927 1.000 0.773 CB 1.365 23 residues pruned to eliminate duplicates J: 23 34.008 2.088 0.940 0.931 0.955 0.773 CB 1.310 22 residues pruned to eliminate duplicates K: 9 12.202 2.005 0.438 0.823 0.875 0.750 CA 1.292 L: 22 30.471 2.103 0.690 0.928 1.000 0.810 CB 1.311 22 residues pruned to eliminate duplicates M: 18 19.937 1.821 0.499 0.881 0.941 0.765 CB 1.363 N: 13 19.327 2.012 0.432 0.857 1.000 0.667 CA 1.426 O: 23 35.288 2.129 0.723 0.921 1.000 0.636 CA 1.443 23 residues pruned to eliminate duplicates P: 13 16.006 1.813 0.395 0.906 1.000 0.917 CA 1.299 Q: 23 30.061 2.021 0.736 0.902 1.000 0.773 CB 1.303 23 residues pruned to eliminate duplicates R: 12 14.383 2.036 0.478 0.839 1.000 0.909 CB 1.077 S: 22 23.823 2.052 0.424 0.923 0.952 0.905 CA 1.313 22 residues pruned to eliminate duplicates T: 23 31.791 1.974 0.991 0.928 1.000 0.818 CA 1.207 23 residues pruned to eliminate duplicates U: 23 30.235 2.044 0.589 0.903 1.000 0.909 CB 1.414 23 residues pruned to eliminate duplicates V: 8 10.401 2.109 0.348 0.776 0.857 0.571 CA 1.264 9 residues pruned to eliminate duplicates W: 25 26.738 2.039 0.667 0.903 0.958 0.500 CA 1.194 25 residues pruned to eliminate duplicates X: 7 9.002 2.151 -0.023 0.813 1.000 0.833 CB 1.333 7 residues pruned to eliminate duplicates Y: 23 34.511 2.067 0.947 0.952 0.955 0.636 CB 1.319 22 residues pruned to eliminate duplicates Z: 14 15.468 1.986 0.555 0.899 1.000 0.846 CA 0.994 Z: 18 17.588 1.919 0.200 0.894 1.000 0.706 CB 1.329 18 residues pruned to eliminate duplicates Z: 23 31.696 2.085 0.587 0.937 1.000 0.909 CB 1.420 24 residues pruned to eliminate duplicates Z: 23 20.400 2.018 0.162 0.879 1.000 0.818 CB 1.345 23 residues pruned to eliminate duplicates Z: 22 35.635 2.024 1.105 0.907 1.000 0.810 CB 1.297 22 residues pruned to eliminate duplicates Z: 17 21.113 2.001 0.364 0.882 1.000 0.812 CB 1.400 17 residues pruned to eliminate duplicates Z: 25 27.349 1.991 0.556 0.900 1.000 0.500 CA 1.288 24 residues pruned to eliminate duplicates Z: 12 22.987 2.142 0.619 0.928 1.000 1.000 CB 1.400 Z: 22 30.386 2.046 0.847 0.921 1.000 0.810 CB 1.235 22 residues pruned to eliminate duplicates Z: 6 11.467 1.961 0.465 0.849 1.000 0.800 CA 1.323 Z: 13 19.854 2.102 0.575 0.896 0.917 0.833 CA 1.353 14 residues pruned to eliminate duplicates Z: 15 17.187 1.994 0.564 0.894 0.929 0.786 CA 1.138 14 residues pruned to eliminate duplicates Z: 18 13.914 1.919 0.307 0.871 0.941 0.706 CB 1.043 18 residues pruned to eliminate duplicates Z: 12 23.656 2.138 0.599 0.881 1.000 0.909 CB 1.511 12 residues pruned to eliminate duplicates Z: 17 18.197 2.075 0.342 0.865 0.938 0.812 CB 1.277 18 residues pruned to eliminate duplicates Z: 19 20.525 2.124 0.337 0.881 1.000 0.611 CB 1.234 Z: 23 28.562 2.059 0.573 0.892 1.000 0.818 CB 1.351 23 residues pruned to eliminate duplicates Z: 28 29.411 1.871 0.846 0.881 0.889 0.519 CA 1.335 23 residues pruned to eliminate duplicates Z: 23 34.388 2.107 0.735 0.936 1.000 0.909 CB 1.397 23 residues pruned to eliminate duplicates Z: 18 21.882 1.901 0.514 0.837 0.941 0.765 CA 1.465 18 residues pruned to eliminate duplicates Z: 22 35.644 2.105 0.869 0.935 1.000 0.810 CB 1.378 22 residues pruned to eliminate duplicates Z: 11 15.116 1.945 0.796 0.839 0.900 0.600 CA 1.136 Z: 21 25.985 2.108 0.451 0.913 1.000 0.800 CB 1.344 21 residues pruned to eliminate duplicates Z: 14 20.990 1.846 0.653 0.871 1.000 0.769 CA 1.392 13 residues pruned to eliminate duplicates Z: 14 19.464 1.971 0.436 0.877 0.923 0.846 CA 1.500 14 residues pruned to eliminate duplicates Z: 10 19.262 2.255 0.449 0.900 1.000 1.000 CB 1.404 10 residues pruned to eliminate duplicates Z: 15 23.463 1.940 0.911 0.888 1.000 0.929 CB 1.219 Z: 13 20.866 1.974 0.743 0.885 1.000 0.667 CB 1.265 Z: 15 22.759 1.905 0.702 0.932 1.000 0.643 CB 1.310 15 residues pruned to eliminate duplicates Z: 9 8.622 1.482 0.128 0.890 1.000 0.625 O 1.311 Z: 21 29.666 2.134 0.635 0.925 1.000 0.900 CB 1.334 26 residues pruned to eliminate duplicates Z: 20 23.603 2.078 0.715 0.905 0.895 0.632 CB 1.208 20 residues pruned to eliminate duplicates Z: 8 18.491 2.193 0.632 0.856 1.000 0.714 CA 1.440 8 residues pruned to eliminate duplicates Z: 12 15.227 1.983 0.444 0.875 0.909 0.909 CA 1.283 12 residues pruned to eliminate duplicates Z: 26 21.479 2.014 0.556 0.895 0.920 0.400 CB 1.068 20 residues pruned to eliminate duplicates Z: 9 12.437 1.882 0.659 0.791 0.875 0.500 CA 1.247 4 residues pruned to eliminate duplicates Z: 11 18.336 1.923 0.673 0.887 1.000 0.700 CB 1.299 Z: 14 12.454 1.954 0.184 0.834 0.923 0.769 CA 1.213 14 residues pruned to eliminate duplicates Z: 13 24.738 2.082 1.051 0.924 0.917 0.833 CA 1.282 14 residues pruned to eliminate duplicates Z: 11 13.624 1.807 0.422 0.848 0.900 0.900 CA 1.382 Z: 13 19.269 2.000 0.370 0.924 1.000 0.750 CB 1.425 13 residues pruned to eliminate duplicates Z: 12 29.796 2.122 0.932 0.925 1.000 0.818 CB 1.537 12 residues pruned to eliminate duplicates Z: 22 25.680 2.056 0.522 0.940 0.952 0.857 CB 1.306 22 residues pruned to eliminate duplicates Z: 13 23.598 1.979 0.681 0.912 1.000 0.417 CB 1.450 Z: 6 11.260 1.969 0.365 0.876 1.000 0.800 CA 1.362 6 residues pruned to eliminate duplicates Z: 14 15.706 1.898 0.583 0.882 0.923 0.769 CA 1.137 14 residues pruned to eliminate duplicates Z: 12 15.844 1.976 0.498 0.876 0.909 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 16 21.434 2.014 0.446 0.881 1.000 0.667 CB 1.375 16 residues pruned to eliminate duplicates Z: 14 18.948 1.849 0.672 0.907 1.000 0.846 CB 1.208 14 residues pruned to eliminate duplicates Z: 18 17.618 1.949 0.231 0.902 0.941 0.706 CB 1.349 18 residues pruned to eliminate duplicates Z: 14 18.180 1.909 0.905 0.882 0.923 0.615 CA 1.087 13 residues pruned to eliminate duplicates Z: 11 11.649 1.748 0.159 0.874 1.000 1.000 CA 1.323 11 residues pruned to eliminate duplicates Z: 22 16.251 1.862 0.488 0.512 0.952 0.667 CB 1.329 Z: 23 30.654 2.087 0.610 0.924 1.000 0.636 CB 1.365 23 residues pruned to eliminate duplicates Z: 11 12.360 1.775 0.127 0.843 1.000 0.900 CA 1.456 11 residues pruned to eliminate duplicates Z: 17 20.836 1.958 0.432 0.855 1.000 0.688 CB 1.371 17 residues pruned to eliminate duplicates Z: 13 16.983 1.750 0.664 0.894 0.917 0.583 CA 1.317 12 residues pruned to eliminate duplicates Z: 16 16.103 2.033 0.186 0.862 0.933 0.733 CB 1.357 16 residues pruned to eliminate duplicates Z: 23 19.520 2.016 0.304 0.891 0.909 0.636 CB 1.252 23 residues pruned to eliminate duplicates Z: 21 29.637 2.056 0.752 0.920 1.000 0.700 CB 1.296 21 residues pruned to eliminate duplicates Z: 24 30.127 2.100 0.600 0.927 1.000 0.652 CA 1.310 25 residues pruned to eliminate duplicates Z: 7 6.576 1.677 -0.010 0.829 1.000 1.000 CA 1.216 Z: 6 11.567 1.993 0.365 0.841 1.000 0.800 CA 1.418 6 residues pruned to eliminate duplicates Z: 29 17.678 1.816 0.294 0.579 0.929 0.714 CB 1.419 11 residues pruned to eliminate duplicates Z: 13 23.678 1.923 0.904 0.915 1.000 0.833 CA 1.319 12 residues pruned to eliminate duplicates Z: 32 21.509 1.953 0.512 0.582 0.871 0.710 CB 1.388 19 residues pruned to eliminate duplicates Z: 12 17.083 2.006 0.292 0.914 1.000 0.909 CA 1.405 12 residues pruned to eliminate duplicates Z: 12 22.501 2.118 0.482 0.903 1.000 0.909 CB 1.540 12 residues pruned to eliminate duplicates Z: 22 34.397 2.121 0.902 0.930 0.952 0.714 CB 1.366 22 residues pruned to eliminate duplicates Z: 14 20.557 1.795 0.691 0.891 1.000 0.692 CA 1.350 14 residues pruned to eliminate duplicates Z: 6 3.119 1.803 0.553 0.834 1.000 1.000 CB 0.373 5 residues pruned to eliminate duplicates Z: 6 6.523 1.506 0.325 0.793 1.000 0.800 CA 1.131 6 residues pruned to eliminate duplicates Z: 13 17.281 2.157 0.197 0.848 0.917 0.500 CB 1.564 13 residues pruned to eliminate duplicates Z: 14 15.142 1.881 0.610 0.877 0.923 0.846 CA 1.091 14 residues pruned to eliminate duplicates Z: 10 12.710 2.159 0.291 0.845 0.889 0.778 CA 1.271 10 residues pruned to eliminate duplicates Z: 10 13.976 1.854 0.445 0.882 0.889 0.667 CB 1.416 12 residues pruned to eliminate duplicates Z: 12 19.807 2.028 0.411 0.923 1.000 0.909 CA 1.467 12 residues pruned to eliminate duplicates Z: 10 8.932 1.769 0.021 0.796 1.000 0.778 CA 1.272 Z: 12 18.423 1.854 0.636 0.866 1.000 0.818 CA 1.341 12 residues pruned to eliminate duplicates Z: 21 27.652 2.065 0.767 0.877 0.950 0.650 CB 1.295 21 residues pruned to eliminate duplicates Z: 23 22.834 2.087 0.381 0.892 0.955 0.636 CA 1.272 23 residues pruned to eliminate duplicates Z: 25 26.969 2.004 0.574 0.905 1.000 0.667 CB 1.242 26 residues pruned to eliminate duplicates Z: 16 18.650 2.057 0.227 0.860 1.000 0.733 CB 1.402 17 residues pruned to eliminate duplicates Z: 11 27.408 2.048 1.058 0.885 1.000 0.700 CA 1.485 13 residues pruned to eliminate duplicates Z: 23 32.912 2.065 0.924 0.944 0.955 0.591 CB 1.281 23 residues pruned to eliminate duplicates Z: 6 3.781 2.007 0.279 0.743 0.600 0.600 CB 0.883 6 residues pruned to eliminate duplicates Z: 19 27.296 2.076 0.713 0.896 1.000 0.778 CA 1.296 19 residues pruned to eliminate duplicates Z: 9 7.931 1.835 -0.058 0.869 1.000 0.750 CB 1.186 9 residues pruned to eliminate duplicates Z: 9 8.375 1.980 0.098 0.776 0.875 0.375 CA 1.220 9 residues pruned to eliminate duplicates Z: 7 7.119 1.729 0.400 0.856 1.000 0.667 CB 0.886 7 residues pruned to eliminate duplicates Z: 8 7.246 1.935 -0.051 0.895 1.000 1.000 CB 1.070 8 residues pruned to eliminate duplicates Z: 12 24.638 2.048 1.044 0.890 0.909 0.727 CB 1.404 12 residues pruned to eliminate duplicates Z: 37 22.458 2.044 0.466 0.502 0.889 0.417 CB 1.402 20 residues pruned to eliminate duplicates Z: 18 20.609 1.938 0.356 0.863 1.000 0.824 CB 1.395 18 residues pruned to eliminate duplicates Z: 30 18.381 1.902 0.482 0.506 0.897 0.690 CA 1.343 24 residues pruned to eliminate duplicates Z: 11 20.029 1.965 0.672 0.885 1.000 0.800 CA 1.393 11 residues pruned to eliminate duplicates Z: 16 18.830 1.950 0.675 0.838 0.933 0.600 CB 1.192 16 residues pruned to eliminate duplicates Z: 14 17.593 1.995 0.398 0.868 1.000 0.846 CB 1.279 13 residues pruned to eliminate duplicates Z: 22 31.256 2.060 0.978 0.940 0.905 0.381 CB 1.284 23 residues pruned to eliminate duplicates Z: 11 17.169 2.114 0.359 0.917 1.000 0.900 CA 1.334 11 residues pruned to eliminate duplicates Z: 9 14.311 1.883 0.400 0.864 1.000 0.750 CB 1.407 9 residues pruned to eliminate duplicates Z: 29 24.691 1.902 0.478 0.694 0.929 0.857 CB 1.496 30 residues pruned to eliminate duplicates Z: 16 21.132 2.064 0.511 0.822 0.933 0.667 CB 1.418 16 residues pruned to eliminate duplicates Z: 24 22.957 2.048 0.474 0.863 0.913 0.739 CA 1.274 23 residues pruned to eliminate duplicates Z: 16 15.249 1.931 0.405 0.833 0.867 0.600 CB 1.256 16 residues pruned to eliminate duplicates Z: 18 19.397 1.842 0.616 0.896 0.824 0.529 CB 1.374 18 residues pruned to eliminate duplicates Z: 12 17.900 1.883 0.920 0.833 0.909 0.636 CA 1.232 Z: 12 25.605 1.942 0.846 0.888 1.000 0.545 N 1.552 11 residues pruned to eliminate duplicates Z: 12 21.070 2.101 0.657 0.806 1.000 0.727 CB 1.397 10 residues pruned to eliminate duplicates Z: 14 19.946 1.869 0.652 0.893 1.000 0.769 CB 1.287 14 residues pruned to eliminate duplicates Z: 21 31.745 2.124 0.859 0.936 1.000 0.800 CB 1.252 21 residues pruned to eliminate duplicates Z: 25 22.368 2.007 0.392 0.907 1.000 0.833 CB 1.162 25 residues pruned to eliminate duplicates Z: 15 25.014 2.065 0.651 0.852 1.000 0.714 CA 1.450 17 residues pruned to eliminate duplicates Z: 9 17.829 1.913 0.607 0.908 1.000 0.750 CA 1.457 9 residues pruned to eliminate duplicates Z: 13 16.712 2.008 0.522 0.909 1.000 0.833 CA 1.120 12 residues pruned to eliminate duplicates Z: 18 14.404 1.864 0.426 0.751 0.882 0.588 CB 1.190 18 residues pruned to eliminate duplicates Z: 32 19.640 1.941 0.539 0.608 0.903 0.548 CB 1.180 18 residues pruned to eliminate duplicates Z: 12 19.096 1.854 0.890 0.856 1.000 0.545 CA 1.211 12 residues pruned to eliminate duplicates Z: 18 18.118 1.878 0.222 0.893 1.000 0.882 CB 1.373 18 residues pruned to eliminate duplicates Z: 14 11.708 1.874 0.436 0.786 0.846 0.385 CB 1.110 14 residues pruned to eliminate duplicates Z: 16 20.480 1.940 0.671 0.804 0.933 0.533 CB 1.341 16 residues pruned to eliminate duplicates Z: 10 21.451 2.005 0.710 0.884 1.000 0.667 CA 1.507 10 residues pruned to eliminate duplicates Z: 13 19.977 1.955 0.472 0.902 1.000 1.000 CB 1.429 13 residues pruned to eliminate duplicates Z: 17 9.549 1.714 0.206 0.574 0.875 0.750 CB 1.228 Z: 33 24.030 2.010 0.664 0.424 0.938 0.531 CB 1.466 26 residues pruned to eliminate duplicates Z: 20 10.697 1.776 0.392 0.332 0.895 0.474 CB 1.334 Z: 12 17.128 2.095 0.378 0.885 1.000 0.727 CA 1.292 12 residues pruned to eliminate duplicates Z: 22 34.644 2.044 0.839 0.907 1.000 0.714 CB 1.428 22 residues pruned to eliminate duplicates Z: 25 22.876 2.029 0.254 0.887 1.000 0.833 CB 1.322 25 residues pruned to eliminate duplicates Z: 11 29.695 2.074 1.253 0.931 1.000 0.900 CB 1.404 13 residues pruned to eliminate duplicates Z: 15 21.294 1.990 0.627 0.923 1.000 0.571 CB 1.235 15 residues pruned to eliminate duplicates Z: 31 16.881 1.990 0.431 0.414 0.867 0.533 CB 1.367 31 residues pruned to eliminate duplicates Z: 10 15.930 1.964 0.996 0.800 0.889 0.444 CB 1.173 10 residues pruned to eliminate duplicates Z: 12 17.165 1.888 0.580 0.888 1.000 0.909 CA 1.250 11 residues pruned to eliminate duplicates Z: 19 22.004 1.891 0.400 0.901 1.000 0.667 CA 1.398 16 residues pruned to eliminate duplicates Z: 13 17.389 1.995 0.423 0.884 0.917 0.833 CB 1.394 11 residues pruned to eliminate duplicates Z: 22 23.505 2.059 0.303 0.912 1.000 0.952 CA 1.354 22 residues pruned to eliminate duplicates Z: 18 13.191 1.904 0.130 0.899 0.941 0.765 CA 1.129 18 residues pruned to eliminate duplicates Z: 12 22.842 1.941 1.008 0.876 1.000 0.727 CB 1.285 12 residues pruned to eliminate duplicates Z: 16 23.965 1.920 0.810 0.906 1.000 1.000 CA 1.266 17 residues pruned to eliminate duplicates Z: 26 18.726 2.008 0.573 0.491 0.880 0.600 CB 1.360 26 residues pruned to eliminate duplicates Z: 13 22.750 1.960 0.659 0.906 1.000 0.667 CB 1.436 13 residues pruned to eliminate duplicates Z: 6 8.018 1.834 0.536 0.845 1.000 0.400 CB 0.947 Z: 17 19.735 1.920 0.418 0.891 0.938 0.562 CB 1.390 16 residues pruned to eliminate duplicates Z: 31 19.714 2.052 0.274 0.452 0.900 0.433 CB 1.606 33 residues pruned to eliminate duplicates Z: 22 21.333 1.962 0.629 0.700 0.952 0.667 CB 1.275 15 residues pruned to eliminate duplicates Z: 11 14.528 2.090 0.624 0.518 1.000 0.700 CB 1.329 16 residues pruned to eliminate duplicates Z: 12 13.771 1.963 0.432 0.840 0.909 0.818 CA 1.213 12 residues pruned to eliminate duplicates Z: 7 7.989 1.879 0.461 0.747 0.833 0.667 CB 1.143 Z: 13 22.476 2.013 0.746 0.927 1.000 0.667 CA 1.294 13 residues pruned to eliminate duplicates Z: 9 4.132 1.630 0.550 0.377 0.875 0.500 CB 0.753 Z: 12 17.431 1.750 0.628 0.863 1.000 0.727 CA 1.353 10 residues pruned to eliminate duplicates Z: 16 17.326 2.022 0.370 0.880 0.867 0.533 CB 1.350 16 residues pruned to eliminate duplicates Z: 10 8.356 1.869 -0.052 0.903 1.000 0.778 CB 1.121 10 residues pruned to eliminate duplicates Z: 7 13.667 1.988 0.797 0.817 1.000 0.667 CA 1.186 8 residues pruned to eliminate duplicates Z: 23 28.425 2.068 0.622 0.929 0.955 0.636 CB 1.324 23 residues pruned to eliminate duplicates Z: 12 19.180 2.088 0.590 0.904 1.000 0.909 CA 1.240 12 residues pruned to eliminate duplicates Z: 24 28.756 2.063 0.636 0.931 1.000 0.783 CA 1.242 24 residues pruned to eliminate duplicates Z: 32 23.838 1.952 0.643 0.604 1.000 0.516 CB 1.209 31 residues pruned to eliminate duplicates Z: 10 14.281 1.795 0.481 0.853 1.000 0.889 CA 1.324 10 residues pruned to eliminate duplicates Z: 82 35.578 1.967 0.407 0.651 0.938 0.630 CB 1.323 82 residues pruned to eliminate duplicates Z: 77 34.949 2.022 0.453 0.581 0.947 0.566 CB 1.333 83 residues pruned to eliminate duplicates Z: 23 27.050 2.132 0.391 0.894 1.000 0.773 CB 1.396 23 residues pruned to eliminate duplicates Z: 20 10.962 1.784 0.239 0.384 0.947 0.842 CA 1.358 20 residues pruned to eliminate duplicates Z: 6 4.919 1.422 0.526 0.782 0.800 0.600 O 0.989 6 residues pruned to eliminate duplicates Z: 10 19.137 1.936 0.945 0.883 0.889 0.222 CA 1.379 10 residues pruned to eliminate duplicates Z: 11 6.218 1.720 0.673 0.279 0.800 0.200 CB 1.097 Z: 13 22.146 2.058 0.753 0.897 1.000 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 6 8.267 1.923 0.595 0.839 0.800 0.400 CA 1.125 6 residues pruned to eliminate duplicates Z: 12 23.229 2.110 0.520 0.937 1.000 0.909 CB 1.519 12 residues pruned to eliminate duplicates Z: 12 16.773 1.989 0.803 0.858 0.818 0.818 CA 1.269 11 residues pruned to eliminate duplicates Z: 12 26.580 2.017 1.034 0.859 0.909 0.364 CB 1.580 12 residues pruned to eliminate duplicates Z: 15 18.731 2.044 0.510 0.917 0.929 0.786 CA 1.234 15 residues pruned to eliminate duplicates Z: 26 22.301 1.991 0.388 0.886 0.960 0.880 CB 1.213 25 residues pruned to eliminate duplicates Z: 10 7.183 1.663 0.243 0.484 0.889 0.778 CB 1.324 9 residues pruned to eliminate duplicates Z: 6 15.485 2.262 0.358 0.812 1.000 0.800 CA 1.718 6 residues pruned to eliminate duplicates Z: 10 8.154 2.124 -0.275 0.915 1.000 1.000 CA 1.248 10 residues pruned to eliminate duplicates Z: 12 26.620 2.065 0.845 0.918 1.000 0.545 CA 1.485 12 residues pruned to eliminate duplicates Z: 12 25.582 1.997 1.181 0.893 0.909 0.909 CA 1.399 12 residues pruned to eliminate duplicates Z: 10 12.003 1.860 0.185 0.853 1.000 1.000 CB 1.342 9 residues pruned to eliminate duplicates Z: 16 10.246 1.885 0.403 0.520 0.800 0.600 CB 1.226 18 residues pruned to eliminate duplicates Z: 8 9.960 1.676 0.203 0.853 1.000 0.714 N 1.381 7 residues pruned to eliminate duplicates Z: 12 16.667 1.981 0.684 0.816 1.000 0.455 CB 1.144 12 residues pruned to eliminate duplicates Z: 25 25.031 2.028 0.412 0.830 0.958 0.708 CA 1.400 25 residues pruned to eliminate duplicates Z: 13 20.791 2.015 0.700 0.937 1.000 0.333 CB 1.220 13 residues pruned to eliminate duplicates Z: 11 13.817 1.799 0.337 0.773 1.000 0.600 CA 1.427 11 residues pruned to eliminate duplicates Z: 6 4.066 1.707 0.585 0.298 0.800 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 21 28.416 2.113 0.549 0.936 1.000 0.950 CA 1.352 21 residues pruned to eliminate duplicates Z: 13 14.571 1.841 0.398 0.761 1.000 0.833 CA 1.297 13 residues pruned to eliminate duplicates Z: 10 23.579 2.023 0.772 0.921 1.000 0.889 CA 1.543 10 residues pruned to eliminate duplicates Z: 16 10.692 1.996 0.040 0.895 1.000 0.667 CB 0.953 16 residues pruned to eliminate duplicates Z: 24 26.933 2.031 0.586 0.917 0.957 0.870 CA 1.286 24 residues pruned to eliminate duplicates Z: 18 11.162 1.756 0.394 0.547 0.941 0.588 CB 1.122 17 residues pruned to eliminate duplicates Z: 14 21.525 2.123 0.412 0.894 1.000 0.692 CB 1.428 14 residues pruned to eliminate duplicates Z: 13 18.755 1.917 0.471 0.897 1.000 0.750 CA 1.375 13 residues pruned to eliminate duplicates Z: 13 15.914 1.999 0.272 0.917 1.000 0.917 CB 1.274 13 residues pruned to eliminate duplicates Z: 8 5.393 1.860 0.163 0.868 0.857 0.714 CB 0.804 8 residues pruned to eliminate duplicates Z: 8 6.817 1.542 0.178 0.835 1.000 0.857 CB 1.062 Z: 6 10.951 2.043 0.466 0.827 1.000 0.800 CB 1.232 7 residues pruned to eliminate duplicates Z: 13 14.100 2.025 0.267 0.886 1.000 0.917 CA 1.145 13 residues pruned to eliminate duplicates Z: 12 15.133 2.073 0.322 0.916 0.818 0.818 CB 1.437 12 residues pruned to eliminate duplicates Z: 17 19.803 1.966 0.438 0.883 0.938 0.625 CB 1.350 17 residues pruned to eliminate duplicates Z: 49 28.891 1.970 0.575 0.659 0.938 0.625 CB 1.237 49 residues pruned to eliminate duplicates Z: 21 9.210 1.774 0.207 0.313 0.950 0.500 CA 1.245 21 residues pruned to eliminate duplicates Z: 23 31.302 2.069 0.670 0.953 1.000 0.636 CB 1.329 23 residues pruned to eliminate duplicates Z: 11 27.393 1.947 1.110 0.898 1.000 0.500 CB 1.508 11 residues pruned to eliminate duplicates Z: 29 15.201 1.792 0.622 0.559 0.821 0.607 CB 1.136 29 residues pruned to eliminate duplicates Z: 7 5.334 1.622 0.067 0.766 0.833 0.667 CA 1.193 7 residues pruned to eliminate duplicates Z: 8 8.229 1.741 0.668 0.464 0.857 0.857 CA 1.296 8 residues pruned to eliminate duplicates Z: 10 15.393 1.826 0.464 0.851 1.000 0.667 CB 1.421 10 residues pruned to eliminate duplicates Z: 20 30.149 2.065 1.080 0.916 0.895 0.526 CB 1.271 20 residues pruned to eliminate duplicates Z: 6 11.588 2.074 0.431 0.846 1.000 0.800 CB 1.298 6 residues pruned to eliminate duplicates Z: 12 15.741 1.767 0.653 0.869 0.909 0.636 CA 1.306 12 residues pruned to eliminate duplicates Z: 8 7.698 1.617 0.368 0.831 1.000 0.857 CB 0.988 8 residues pruned to eliminate duplicates Z: 7 4.164 1.851 -0.142 0.899 1.000 1.000 CB 0.765 7 residues pruned to eliminate duplicates Z: 18 12.889 1.788 0.375 0.617 0.941 0.647 CB 1.209 17 residues pruned to eliminate duplicates Z: 6 3.282 1.544 -0.137 0.608 0.800 0.800 O 1.242 Z: 26 14.291 1.778 0.468 0.400 0.960 0.520 CB 1.267 26 residues pruned to eliminate duplicates Z: 25 23.435 2.055 0.356 0.878 0.958 0.750 CB 1.300 25 residues pruned to eliminate duplicates Z: 11 12.913 1.964 0.485 0.875 0.900 0.600 CB 1.131 11 residues pruned to eliminate duplicates Z: 7 8.485 1.851 0.273 0.750 1.000 0.667 CA 1.176 7 residues pruned to eliminate duplicates Z: 19 16.176 1.914 0.531 0.481 0.944 0.389 CB 1.404 16 residues pruned to eliminate duplicates Z: 25 26.722 1.961 0.596 0.863 1.000 0.667 CA 1.278 25 residues pruned to eliminate duplicates Z: 9 8.268 1.790 0.362 0.814 0.875 0.750 CB 1.043 9 residues pruned to eliminate duplicates Z: 37 31.024 2.064 0.504 0.665 1.000 0.500 CA 1.430 37 residues pruned to eliminate duplicates Z: 8 7.689 1.591 0.298 0.836 1.000 0.714 CB 1.053 8 residues pruned to eliminate duplicates Z: 7 9.854 1.855 0.147 0.833 1.000 0.667 CA 1.418 6 residues pruned to eliminate duplicates Z: 23 27.714 2.097 0.539 0.926 0.955 0.818 CA 1.346 23 residues pruned to eliminate duplicates Z: 12 20.232 1.964 0.592 0.918 1.000 0.727 CB 1.376 12 residues pruned to eliminate duplicates Z: 8 8.358 1.527 0.284 0.800 1.000 0.714 CB 1.239 8 residues pruned to eliminate duplicates Z: 8 7.823 1.904 0.368 0.790 0.857 0.571 CB 1.027 8 residues pruned to eliminate duplicates Z: 11 21.088 1.984 0.715 0.846 1.000 0.800 CA 1.456 11 residues pruned to eliminate duplicates Z: 12 6.230 1.691 0.515 0.452 0.727 0.455 CB 1.060 12 residues pruned to eliminate duplicates Z: 13 17.399 1.942 0.375 0.875 1.000 0.833 CA 1.368 13 residues pruned to eliminate duplicates Z: 12 23.014 2.090 0.594 0.927 0.909 0.818 CB 1.605 12 residues pruned to eliminate duplicates Z: 8 7.745 1.897 0.159 0.871 1.000 0.714 CB 0.971 8 residues pruned to eliminate duplicates Z: 16 19.983 2.050 0.284 0.898 1.000 0.867 CB 1.401 16 residues pruned to eliminate duplicates Z: 11 25.424 2.083 0.864 0.930 1.000 0.800 CB 1.448 12 residues pruned to eliminate duplicates Z: 41 27.283 2.034 0.555 0.510 0.925 0.575 CA 1.459 41 residues pruned to eliminate duplicates Z: 7 5.481 1.803 0.038 0.819 1.000 0.833 CB 0.907 7 residues pruned to eliminate duplicates Z: 11 22.956 2.084 0.721 0.921 1.000 0.700 CB 1.425 11 residues pruned to eliminate duplicates Z: 19 8.432 1.694 0.406 0.363 0.778 0.611 CB 1.243 19 residues pruned to eliminate duplicates Z: 19 22.053 1.852 0.549 0.876 1.000 0.833 CB 1.317 19 residues pruned to eliminate duplicates Z: 8 6.122 1.351 0.383 0.812 1.000 1.000 CA 0.944 8 residues pruned to eliminate duplicates Z: 9 10.357 2.002 0.105 0.888 0.875 0.625 CB 1.364 9 residues pruned to eliminate duplicates Z: 54 26.817 1.971 0.533 0.584 0.887 0.509 CB 1.268 54 residues pruned to eliminate duplicates Z: 24 12.891 1.822 0.380 0.522 0.913 0.565 CB 1.146 24 residues pruned to eliminate duplicates Z: 25 30.329 2.035 0.603 0.926 1.000 0.875 CA 1.331 24 residues pruned to eliminate duplicates Z: 25 21.422 2.002 0.460 0.852 0.917 0.750 CB 1.207 25 residues pruned to eliminate duplicates Z: 21 27.666 2.121 0.558 0.945 0.950 0.750 CB 1.363 21 residues pruned to eliminate duplicates Z: 10 2.730 1.595 0.221 0.343 0.667 0.444 CB 0.832 Z: 16 18.276 2.013 0.766 0.588 0.867 0.400 CA 1.408 16 residues pruned to eliminate duplicates Z: 10 16.017 1.857 0.419 0.903 1.000 0.778 CA 1.445 10 residues pruned to eliminate duplicates Z: 13 26.520 2.069 0.874 0.896 1.000 0.500 CA 1.414 13 residues pruned to eliminate duplicates Z: 11 22.321 2.097 0.845 0.893 1.000 0.600 CA 1.310 11 residues pruned to eliminate duplicates Z: 21 21.177 2.045 0.675 0.919 0.850 0.350 CB 1.146 21 residues pruned to eliminate duplicates Z: 17 20.025 1.952 0.594 0.876 0.938 0.688 CB 1.247 17 residues pruned to eliminate duplicates Z: 13 3.145 1.457 0.452 0.286 0.667 0.167 CB 0.819 Z: 11 20.847 2.086 0.722 0.901 0.900 0.600 CA 1.455 11 residues pruned to eliminate duplicates Z: 24 27.612 2.063 0.620 0.918 1.000 0.826 CA 1.214 24 residues pruned to eliminate duplicates Z: 6 5.396 1.592 0.217 0.616 1.000 0.600 N 1.116 6 residues pruned to eliminate duplicates Z: 10 11.554 1.872 0.218 0.769 1.000 0.778 CA 1.331 11 residues pruned to eliminate duplicates Z: 20 19.951 2.146 0.563 0.502 0.947 0.632 CA 1.438 20 residues pruned to eliminate duplicates Z: 10 13.631 1.870 0.395 0.792 1.000 0.444 CB 1.348 10 residues pruned to eliminate duplicates Z: 24 27.333 2.090 0.489 0.913 1.000 0.739 CA 1.297 24 residues pruned to eliminate duplicates Z: 10 7.916 1.916 0.342 0.363 0.889 0.556 CB 1.338 Z: 71 34.985 2.058 0.448 0.604 0.886 0.571 CB 1.435 71 residues pruned to eliminate duplicates Z: 28 12.897 1.824 0.305 0.445 0.963 0.481 CB 1.146 28 residues pruned to eliminate duplicates Z: 31 23.747 1.966 0.609 0.661 1.000 0.500 CB 1.180 31 residues pruned to eliminate duplicates Z: 31 19.670 1.939 0.482 0.647 0.900 0.533 CB 1.210 31 residues pruned to eliminate duplicates Z: 10 8.837 1.693 0.419 0.883 0.889 0.778 CB 0.998 9 residues pruned to eliminate duplicates Z: 9 8.396 1.749 0.297 0.826 1.000 0.625 CB 0.987 8 residues pruned to eliminate duplicates Z: 12 18.148 2.080 0.714 0.888 0.909 0.636 CA 1.216 12 residues pruned to eliminate duplicates Z: 12 14.702 1.910 0.647 0.905 0.909 0.727 CA 1.103 12 residues pruned to eliminate duplicates Z: 6 4.561 1.570 0.350 0.489 1.000 0.800 CB 0.972 Z: 10 9.248 1.715 0.369 0.858 1.000 0.778 CB 0.967 8 residues pruned to eliminate duplicates Z: 10 10.114 1.583 0.264 0.779 1.000 0.667 CB 1.318 9 residues pruned to eliminate duplicates Z: 12 6.753 1.327 0.580 0.595 0.909 0.727 CB 0.976 Z: 6 6.788 1.633 0.312 0.866 1.000 0.600 CB 1.037 6 residues pruned to eliminate duplicates Z: 14 25.882 1.910 0.875 0.915 1.000 0.846 CB 1.416 14 residues pruned to eliminate duplicates Z: 23 25.723 2.025 0.603 0.864 0.909 0.545 CA 1.362 23 residues pruned to eliminate duplicates Z: 12 21.332 1.867 0.926 0.798 1.000 0.818 CA 1.378 12 residues pruned to eliminate duplicates Z: 8 6.771 1.809 0.100 0.905 1.000 0.857 CB 0.916 8 residues pruned to eliminate duplicates Z: 13 21.035 2.154 0.697 0.904 1.000 0.750 CA 1.183 13 residues pruned to eliminate duplicates Z: 6 4.907 1.667 0.368 0.641 1.000 0.800 CB 0.843 Z: 8 8.800 1.701 0.240 0.894 1.000 0.714 CA 1.132 8 residues pruned to eliminate duplicates Z: 12 15.949 1.947 1.136 0.858 1.000 0.545 CB 0.852 12 residues pruned to eliminate duplicates Z: 9 10.849 1.797 0.614 0.771 0.875 0.250 CB 1.190 9 residues pruned to eliminate duplicates Z: 19 16.256 1.851 0.597 0.618 0.944 0.611 CB 1.228 19 residues pruned to eliminate duplicates Z: 8 8.340 1.673 0.244 0.817 1.000 0.857 CB 1.150 8 residues pruned to eliminate duplicates Z: 6 2.685 1.408 0.058 0.669 0.800 0.600 CB 0.861 Z: 13 26.983 1.908 0.998 0.931 1.000 0.667 CA 1.428 12 residues pruned to eliminate duplicates Z: 24 17.466 2.095 0.348 0.433 0.870 0.522 CA 1.589 24 residues pruned to eliminate duplicates Z: 6 4.190 1.293 0.698 0.586 0.800 0.600 O 0.983 Z: 9 10.413 1.730 0.426 0.880 1.000 0.750 CB 1.081 9 residues pruned to eliminate duplicates Z: 19 10.593 1.742 0.217 0.610 0.889 0.556 CB 1.194 19 residues pruned to eliminate duplicates Z: 24 11.605 1.689 0.344 0.391 0.913 0.609 CB 1.311 18 residues pruned to eliminate duplicates Z: 20 11.572 1.786 0.331 0.385 0.947 0.737 CB 1.332 20 residues pruned to eliminate duplicates Z: 12 5.889 1.674 0.141 0.783 0.727 0.455 CB 0.997 11 residues pruned to eliminate duplicates Z: 16 22.435 2.093 0.810 0.730 0.867 0.667 CB 1.434 16 residues pruned to eliminate duplicates Z: 15 21.874 2.030 0.663 0.917 1.000 0.571 CB 1.222 15 residues pruned to eliminate duplicates Z: 9 2.536 1.352 0.232 0.433 0.625 0.500 CB 0.923 9 residues pruned to eliminate duplicates Z: 15 7.442 1.904 0.291 0.365 0.929 0.857 CB 1.008 16 residues pruned to eliminate duplicates Z: 11 9.743 1.711 0.967 0.485 0.700 0.400 CA 1.329 11 residues pruned to eliminate duplicates Z: 83 37.710 2.006 0.463 0.665 0.915 0.634 CB 1.332 77 residues pruned to eliminate duplicates Z: 12 18.018 2.120 0.578 0.861 0.909 0.727 CA 1.312 12 residues pruned to eliminate duplicates Z: 26 16.329 1.861 0.330 0.581 0.920 0.720 CB 1.326 26 residues pruned to eliminate duplicates Z: 12 15.919 1.990 0.397 0.913 1.000 0.909 CB 1.222 12 residues pruned to eliminate duplicates Z: 10 13.092 1.804 0.576 0.847 0.889 0.778 CB 1.282 10 residues pruned to eliminate duplicates Z: 25 23.638 1.996 0.820 0.662 0.917 0.542 CB 1.247 25 residues pruned to eliminate duplicates Z: 24 31.483 2.002 0.695 0.904 1.000 0.957 CA 1.378 24 residues pruned to eliminate duplicates Z: 9 11.122 1.789 0.420 0.889 1.000 0.750 CB 1.115 9 residues pruned to eliminate duplicates Z: 8 10.563 1.675 0.533 0.884 1.000 0.429 CB 1.124 8 residues pruned to eliminate duplicates 6 1.329 1.019 -0.091 0.623 1.000 0.600 N 0.572 ? Z: 37 20.844 1.800 0.495 0.514 0.972 0.778 CA 1.311 39 residues pruned to eliminate duplicates Z: 8 3.126 1.516 0.093 0.260 0.857 0.143 C 1.095 Z: 6 2.970 1.504 0.166 0.392 0.800 0.400 CB 1.062 6 residues pruned to eliminate duplicates Z: 24 26.115 2.101 0.507 0.925 0.957 0.522 CA 1.262 24 residues pruned to eliminate duplicates Z: 7 4.532 1.606 -0.098 0.616 1.000 0.833 CB 1.144 Z: 22 32.011 2.059 0.995 0.935 0.952 0.762 CB 1.244 22 residues pruned to eliminate duplicates Z: 7 7.790 1.852 0.439 0.555 1.000 0.667 CA 1.131 7 residues pruned to eliminate duplicates Z: 26 17.582 1.924 0.373 0.619 0.920 0.680 CB 1.293 25 residues pruned to eliminate duplicates Z: 13 15.782 1.850 0.338 0.877 1.000 0.583 CA 1.337 13 residues pruned to eliminate duplicates Z: 6 2.328 1.364 0.607 0.294 0.800 0.800 CB 0.748 6 residues pruned to eliminate duplicates Z: 23 36.010 2.088 0.839 0.936 1.000 0.727 CB 1.393 23 residues pruned to eliminate duplicates Z: 13 19.648 1.975 0.732 0.842 0.917 0.417 CB 1.348 13 residues pruned to eliminate duplicates Z: 12 4.546 1.545 0.218 0.394 0.818 0.727 CB 0.997 12 residues pruned to eliminate duplicates Z: 15 22.182 1.985 0.680 0.916 1.000 0.571 CB 1.255 15 residues pruned to eliminate duplicates Z: 25 21.935 2.037 0.433 0.875 0.958 0.667 CA 1.165 25 residues pruned to eliminate duplicates Z: 8 11.959 1.951 0.283 0.745 1.000 0.714 CA 1.451 9 residues pruned to eliminate duplicates Z: 12 21.081 2.121 0.612 0.907 0.909 0.455 CB 1.453 12 residues pruned to eliminate duplicates Z: 10 9.715 1.770 0.150 0.762 1.000 0.556 CA 1.261 10 residues pruned to eliminate duplicates Z: 9 2.680 1.380 0.071 0.414 0.875 0.500 CB 0.802 9 residues pruned to eliminate duplicates Z: 8 9.871 1.842 0.625 0.716 1.000 0.571 CB 1.025 8 residues pruned to eliminate duplicates Z: 50 25.856 1.986 0.500 0.517 0.878 0.571 CB 1.389 50 residues pruned to eliminate duplicates Z: 9 15.078 1.670 0.637 0.888 1.000 0.625 CB 1.406 11 residues pruned to eliminate duplicates Z: 11 15.558 1.835 0.378 0.825 1.000 0.600 CA 1.468 11 residues pruned to eliminate duplicates 7 1.475 1.366 0.133 0.083 0.667 0.333 CA 1.000 ? Z: 13 23.161 2.066 0.805 0.902 1.000 0.833 CA 1.279 13 residues pruned to eliminate duplicates Z: 11 7.811 1.670 0.098 0.808 1.000 0.700 CA 1.030 10 residues pruned to eliminate duplicates Z: 7 7.408 1.616 0.279 0.850 1.000 1.000 CB 1.083 7 residues pruned to eliminate duplicates Z: 12 17.713 1.949 0.684 0.903 0.909 0.727 CB 1.276 12 residues pruned to eliminate duplicates Z: 9 5.384 1.748 0.272 0.633 0.875 0.500 CB 0.864 8 residues pruned to eliminate duplicates Z: 11 8.759 1.804 0.305 0.478 1.000 0.900 CA 1.204 11 residues pruned to eliminate duplicates Z: 16 4.821 1.571 0.409 0.256 0.667 0.467 CB 1.116 26 residues pruned to eliminate duplicates Z: 23 22.895 2.041 0.484 0.893 0.955 0.455 CB 1.212 23 residues pruned to eliminate duplicates 7 1.335 1.228 -0.180 0.297 1.000 0.333 CB 0.679 ? Z: 13 6.988 1.703 0.536 0.641 0.917 0.417 CB 0.737 13 residues pruned to eliminate duplicates Z: 23 23.779 2.047 0.427 0.890 0.955 0.773 CB 1.308 22 residues pruned to eliminate duplicates Z: 16 16.924 1.981 0.200 0.918 1.000 0.933 CA 1.296 16 residues pruned to eliminate duplicates Z: 9 6.955 1.633 0.297 0.638 0.875 0.625 CB 1.165 9 residues pruned to eliminate duplicates Z: 11 8.699 1.692 0.241 0.822 1.000 0.900 CB 0.991 11 residues pruned to eliminate duplicates Z: 8 8.821 1.552 0.480 0.802 1.000 0.714 CB 1.115 8 residues pruned to eliminate duplicates Z: 23 21.042 2.019 0.276 0.914 1.000 0.864 CB 1.232 23 residues pruned to eliminate duplicates Z: 22 27.184 2.041 0.479 0.912 1.000 0.905 CB 1.391 22 residues pruned to eliminate duplicates Z: 23 28.794 2.044 0.835 0.940 0.909 0.227 CB 1.251 23 residues pruned to eliminate duplicates Z: 8 10.736 1.708 1.114 0.631 0.857 0.714 CA 1.159 8 residues pruned to eliminate duplicates Z: 10 9.455 1.654 0.360 0.790 1.000 0.667 CB 1.086 10 residues pruned to eliminate duplicates Z: 10 10.392 1.719 0.405 0.918 1.000 0.667 CA 1.011 11 residues pruned to eliminate duplicates Z: 24 22.636 2.000 0.414 0.915 1.000 0.826 CA 1.179 24 residues pruned to eliminate duplicates Z: 13 7.660 1.732 0.284 0.595 0.833 0.750 CB 1.089 13 residues pruned to eliminate duplicates Z: 18 13.417 1.782 0.564 0.622 0.941 0.647 CB 1.105 18 residues pruned to eliminate duplicates Z: 31 27.398 2.061 0.580 0.521 0.967 0.500 CA 1.557 31 residues pruned to eliminate duplicates Z: 16 19.278 1.943 0.689 0.902 1.000 0.933 CA 1.082 16 residues pruned to eliminate duplicates Z: 6 2.060 1.461 0.724 0.297 0.600 0.400 CB 0.765 Z: 8 6.000 1.544 0.306 0.789 0.857 0.714 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 4.871 1.816 0.649 0.350 0.800 0.600 CB 1.070 12 residues pruned to eliminate duplicates Z: 8 6.308 1.761 0.366 0.357 1.000 0.571 CB 1.157 8 residues pruned to eliminate duplicates Z: 11 18.273 1.938 0.714 0.871 1.000 0.800 CA 1.268 12 residues pruned to eliminate duplicates Z: 25 17.335 2.014 0.437 0.469 0.833 0.417 CA 1.514 25 residues pruned to eliminate duplicates Z: 11 6.358 1.885 0.279 0.486 0.800 0.600 CB 1.058 11 residues pruned to eliminate duplicates Z: 20 10.515 1.700 0.242 0.546 0.895 0.632 CB 1.220 30 residues pruned to eliminate duplicates Z: 8 7.702 1.699 0.202 0.550 1.000 0.571 CB 1.358 8 residues pruned to eliminate duplicates Z: 9 11.411 1.813 0.697 0.541 1.000 0.375 CA 1.259 9 residues pruned to eliminate duplicates Z: 7 9.076 1.628 0.652 0.858 0.833 0.833 CB 1.218 6 residues pruned to eliminate duplicates Z: 8 8.548 1.772 0.433 0.632 0.857 0.571 CB 1.311 8 residues pruned to eliminate duplicates Z: 8 7.423 1.758 0.151 0.626 1.000 0.857 CA 1.231 8 residues pruned to eliminate duplicates Z: 13 20.021 2.073 0.741 0.892 1.000 0.500 CA 1.150 13 residues pruned to eliminate duplicates Z: 15 20.929 2.073 0.631 0.879 0.929 0.571 CB 1.291 15 residues pruned to eliminate duplicates Z: 6 4.192 1.785 0.023 0.446 0.800 0.600 CB 1.356 Z: 24 18.342 1.905 0.496 0.572 0.870 0.696 CA 1.439 24 residues pruned to eliminate duplicates Z: 18 16.403 1.974 0.558 0.525 0.941 0.471 CA 1.341 18 residues pruned to eliminate duplicates Z: 16 19.443 1.922 0.622 0.908 1.000 0.800 CA 1.143 15 residues pruned to eliminate duplicates Z: 8 5.941 1.575 0.079 0.819 1.000 0.571 N 1.002 8 residues pruned to eliminate duplicates Z: 25 26.955 2.156 0.699 0.567 0.875 0.458 CA 1.608 25 residues pruned to eliminate duplicates Z: 48 28.319 1.984 0.529 0.565 0.936 0.489 CA 1.365 48 residues pruned to eliminate duplicates Z: 8 5.700 1.632 0.581 0.790 0.714 0.286 CB 0.906 8 residues pruned to eliminate duplicates Z: 11 10.772 2.106 0.220 0.839 1.000 0.800 CB 0.990 11 residues pruned to eliminate duplicates Z: 38 20.546 2.000 0.315 0.610 0.892 0.730 CB 1.297 46 residues pruned to eliminate duplicates Z: 19 11.867 1.764 0.672 0.543 0.722 0.389 CB 1.259 19 residues pruned to eliminate duplicates Z: 6 4.291 1.147 0.507 0.750 1.000 1.000 CA 0.888 Z: 10 4.124 1.435 0.227 0.406 0.889 0.222 CB 0.970 7 1.989 1.506 0.032 0.429 0.667 0.333 CB 0.844 ? Z: 6 2.819 1.569 0.171 0.430 0.600 0.400 CB 1.229 Z: 13 20.756 1.780 1.030 0.900 0.917 0.583 CA 1.292 13 residues pruned to eliminate duplicates Z: 17 24.051 2.064 0.508 0.880 1.000 0.750 CB 1.400 17 residues pruned to eliminate duplicates Z: 10 10.092 1.644 0.518 0.502 1.000 0.778 CA 1.345 10 residues pruned to eliminate duplicates Z: 42 22.972 1.919 0.516 0.544 0.878 0.610 CA 1.344 42 residues pruned to eliminate duplicates Z: 38 24.420 1.951 0.407 0.617 0.973 0.622 CA 1.346 37 residues pruned to eliminate duplicates Z: 11 11.169 1.762 0.258 0.880 0.900 0.700 CB 1.282 11 residues pruned to eliminate duplicates Z: 19 7.609 1.705 0.368 0.421 0.833 0.556 CB 1.002 19 residues pruned to eliminate duplicates Z: 11 15.094 1.767 0.381 0.884 1.000 0.900 CA 1.414 11 residues pruned to eliminate duplicates Z: 17 6.598 1.724 0.162 0.393 0.875 0.562 CB 1.054 17 residues pruned to eliminate duplicates Z: 6 2.303 1.040 0.578 0.519 1.000 0.600 N 0.616 Z: 41 26.565 1.997 0.668 0.649 0.900 0.600 CB 1.219 30 residues pruned to eliminate duplicates Z: 24 24.537 2.014 0.616 0.909 0.957 0.826 CA 1.167 24 residues pruned to eliminate duplicates Z: 8 14.708 1.928 0.528 0.868 1.000 0.571 CB 1.380 8 residues pruned to eliminate duplicates Z: 11 15.736 1.804 0.583 0.769 1.000 0.600 CA 1.373 11 residues pruned to eliminate duplicates 6 1.727 1.395 0.234 0.307 0.600 0.600 O 0.927 ? Z: 9 4.580 1.325 0.600 0.437 1.000 0.500 CB 0.816 Z: 10 6.731 1.595 0.410 0.807 0.778 0.667 CB 0.981 10 residues pruned to eliminate duplicates Z: 18 21.079 1.941 0.549 0.844 1.000 0.765 CB 1.265 18 residues pruned to eliminate duplicates Z: 10 14.940 1.807 0.950 0.807 1.000 0.556 CA 1.081 10 residues pruned to eliminate duplicates Z: 8 6.461 1.511 0.055 0.643 1.000 0.571 CA 1.340 Z: 8 9.028 1.811 0.474 0.780 1.000 0.714 CA 0.999 8 residues pruned to eliminate duplicates Z: 6 6.842 1.692 0.301 0.744 0.800 0.400 CA 1.397 6 residues pruned to eliminate duplicates 6 1.692 1.385 0.087 0.208 0.800 0.600 N 0.887 ? Z: 31 16.134 1.841 0.336 0.474 0.900 0.600 CB 1.365 31 residues pruned to eliminate duplicates Z: 12 18.474 1.855 0.932 0.824 0.818 0.455 CB 1.434 13 residues pruned to eliminate duplicates Z: 15 6.044 1.698 0.524 0.367 0.714 0.500 CB 1.008 15 residues pruned to eliminate duplicates Z: 15 17.180 1.918 0.543 0.855 0.929 0.714 CA 1.233 15 residues pruned to eliminate duplicates Z: 14 20.544 1.987 0.663 0.880 1.000 0.692 CB 1.249 14 residues pruned to eliminate duplicates Z: 21 33.173 2.053 1.044 0.902 1.000 0.600 CB 1.261 21 residues pruned to eliminate duplicates Z: 25 28.418 2.045 0.648 0.905 0.917 0.583 CB 1.336 25 residues pruned to eliminate duplicates Z: 7 7.599 1.635 0.342 0.637 1.000 0.500 N 1.243 7 residues pruned to eliminate duplicates Z: 25 22.164 1.943 0.711 0.654 0.917 0.667 CB 1.287 25 residues pruned to eliminate duplicates Z: 18 7.771 1.588 0.246 0.408 0.882 0.647 CB 1.189 18 residues pruned to eliminate duplicates Z: 12 11.235 1.664 0.461 0.531 1.000 0.636 N 1.351 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 7.586 2.008 0.242 0.356 0.900 0.600 CB 1.249 11 residues pruned to eliminate duplicates Z: 10 7.457 2.021 0.148 0.427 0.889 0.778 CB 1.300 10 residues pruned to eliminate duplicates Z: 11 7.819 1.996 0.247 0.346 0.900 0.700 CB 1.305 11 residues pruned to eliminate duplicates Z: 6 3.525 1.360 0.382 0.483 1.000 0.800 CA 0.853 6 residues pruned to eliminate duplicates Z: 14 7.065 1.971 0.272 0.328 0.846 0.615 CB 1.115 14 residues pruned to eliminate duplicates Z: 13 6.244 1.916 0.303 0.273 0.917 0.667 CB 1.019 13 residues pruned to eliminate duplicates Z: 14 8.132 1.917 0.443 0.316 0.923 0.538 CB 1.083 14 residues pruned to eliminate duplicates Z: 12 20.536 1.889 0.976 0.850 1.000 0.909 CA 1.229 11 residues pruned to eliminate duplicates Z: 12 20.755 1.940 0.974 0.837 1.000 0.636 CA 1.222 12 residues pruned to eliminate duplicates Z: 11 14.462 1.894 0.813 0.797 1.000 0.800 CA 1.027 11 residues pruned to eliminate duplicates Z: 13 16.170 1.855 0.929 0.651 1.000 0.583 CA 1.134 13 residues pruned to eliminate duplicates Z: 16 13.810 1.675 0.792 0.630 0.867 0.400 CB 1.214 16 residues pruned to eliminate duplicates Z: 13 18.785 1.838 0.979 0.723 1.000 0.417 CA 1.220 13 residues pruned to eliminate duplicates Z: 12 16.952 1.865 1.037 0.781 1.000 0.455 CA 1.050 12 residues pruned to eliminate duplicates Z: 12 18.006 1.934 0.816 0.789 1.000 0.455 CA 1.200 12 residues pruned to eliminate duplicates Z: 12 15.104 1.928 0.844 0.723 1.000 0.636 CA 1.047 12 residues pruned to eliminate duplicates Z: 16 16.043 2.027 0.654 0.594 0.800 0.733 CA 1.412 16 residues pruned to eliminate duplicates Z: 27 13.042 1.808 0.560 0.399 0.808 0.385 CB 1.249 27 residues pruned to eliminate duplicates Z: 19 14.341 1.902 0.597 0.470 0.889 0.444 CA 1.291 19 residues pruned to eliminate duplicates Z: 18 17.935 2.003 0.713 0.527 0.882 0.529 CA 1.399 18 residues pruned to eliminate duplicates Z: 19 14.884 1.859 0.472 0.497 0.944 0.444 CB 1.362 18 residues pruned to eliminate duplicates Z: 8 12.052 2.056 0.470 0.658 1.000 0.429 CA 1.301 8 residues pruned to eliminate duplicates Z: 20 14.732 1.874 0.633 0.464 0.895 0.368 CA 1.279 20 residues pruned to eliminate duplicates Z: 6 5.244 1.505 0.650 0.378 1.000 0.800 CA 1.076 6 residues pruned to eliminate duplicates Z: 19 15.027 1.850 0.647 0.505 0.889 0.333 CB 1.302 19 residues pruned to eliminate duplicates Z: 22 15.950 1.892 0.493 0.453 0.952 0.429 CB 1.359 23 residues pruned to eliminate duplicates Z: 12 27.647 2.060 0.979 0.907 1.000 0.636 CA 1.453 12 residues pruned to eliminate duplicates Z: 24 30.583 2.036 0.632 0.795 1.000 0.783 CB 1.482 25 residues pruned to eliminate duplicates Z: 13 23.809 1.931 0.994 0.877 0.917 0.417 CB 1.414 13 residues pruned to eliminate duplicates Z: 26 24.409 1.930 0.778 0.723 0.880 0.520 CB 1.322 26 residues pruned to eliminate duplicates Z: 25 29.430 1.978 0.838 0.760 0.958 0.542 CB 1.368 25 residues pruned to eliminate duplicates Z: 13 27.790 2.039 1.071 0.865 0.917 0.333 CB 1.519 13 residues pruned to eliminate duplicates Z: 12 28.127 2.028 0.916 0.916 1.000 0.455 CB 1.541 12 residues pruned to eliminate duplicates Z: 23 30.325 2.027 0.683 0.785 1.000 0.636 CB 1.475 23 residues pruned to eliminate duplicates Z: 25 28.518 1.963 0.732 0.783 0.917 0.417 CB 1.456 24 residues pruned to eliminate duplicates Z: 6 9.096 1.688 0.654 0.765 1.000 0.600 N 1.152 6 residues pruned to eliminate duplicates Z: 25 28.503 1.979 0.717 0.745 1.000 0.500 CB 1.376 25 residues pruned to eliminate duplicates Z: 14 23.704 2.050 0.817 0.813 0.923 0.692 CB 1.457 14 residues pruned to eliminate duplicates Z: 22 18.000 1.922 0.714 0.545 0.810 0.238 CB 1.410 22 residues pruned to eliminate duplicates Z: 24 21.856 1.940 0.710 0.653 0.870 0.391 CB 1.370 24 residues pruned to eliminate duplicates Z: 24 25.545 1.979 0.680 0.728 0.913 0.609 CB 1.428 24 residues pruned to eliminate duplicates Z: 24 29.485 2.017 0.875 0.763 0.957 0.522 CB 1.346 25 residues pruned to eliminate duplicates Z: 11 16.563 1.872 0.452 0.858 1.000 0.800 CA 1.419 10 residues pruned to eliminate duplicates Z: 11 16.296 1.793 0.506 0.894 1.000 0.400 CB 1.369 10 residues pruned to eliminate duplicates Z: 10 18.396 1.903 0.765 0.907 0.889 0.222 CB 1.460 11 residues pruned to eliminate duplicates Z: 12 17.119 1.734 0.624 0.827 1.000 0.636 CA 1.382 11 residues pruned to eliminate duplicates Z: 11 16.375 1.798 0.765 0.881 0.900 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 25 24.960 1.968 0.715 0.735 0.917 0.583 CB 1.333 25 residues pruned to eliminate duplicates Z: 12 16.596 1.711 0.677 0.823 1.000 0.636 CB 1.319 12 residues pruned to eliminate duplicates Z: 25 27.413 1.895 0.706 0.778 0.958 0.708 CB 1.413 25 residues pruned to eliminate duplicates Z: 17 8.448 1.717 0.246 0.399 0.938 0.438 CB 1.172 17 residues pruned to eliminate duplicates Z: 11 7.538 1.742 0.119 0.460 0.900 0.600 CB 1.415 9 residues pruned to eliminate duplicates Z: 6 3.912 1.483 0.489 0.393 1.000 0.200 CA 0.887 6 residues pruned to eliminate duplicates Z: 9 8.506 1.780 0.220 0.539 1.000 0.750 CB 1.332 9 residues pruned to eliminate duplicates Z: 74 40.295 2.054 0.519 0.583 0.945 0.616 CB 1.476 91 residues pruned to eliminate duplicates Z: 7 2.122 1.714 0.282 0.274 0.667 0.500 CB 0.764 7 residues pruned to eliminate duplicates Z: 25 21.359 2.088 0.534 0.449 0.875 0.417 CA 1.639 25 residues pruned to eliminate duplicates Z: 34 22.089 2.004 0.507 0.424 0.848 0.424 CB 1.625 34 residues pruned to eliminate duplicates Z: 40 26.602 2.052 0.585 0.487 0.949 0.538 CB 1.398 40 residues pruned to eliminate duplicates Z: 44 26.144 1.994 0.629 0.482 0.884 0.488 CB 1.414 44 residues pruned to eliminate duplicates Z: 74 38.233 2.062 0.541 0.558 0.918 0.589 CB 1.450 74 residues pruned to eliminate duplicates Z: 35 22.457 1.959 0.570 0.525 0.882 0.412 CA 1.385 35 residues pruned to eliminate duplicates Z: 67 27.934 1.957 0.447 0.513 0.864 0.515 CA 1.388 67 residues pruned to eliminate duplicates Z: 27 20.565 2.080 0.440 0.465 0.885 0.577 CA 1.577 27 residues pruned to eliminate duplicates Z: 63 37.690 2.105 0.540 0.606 0.935 0.516 CA 1.427 63 residues pruned to eliminate duplicates Z: 53 26.520 1.993 0.520 0.428 0.904 0.519 CB 1.446 53 residues pruned to eliminate duplicates Z: 19 26.550 2.247 0.700 0.536 1.000 0.500 CA 1.581 19 residues pruned to eliminate duplicates Z: 25 22.601 2.161 0.578 0.465 0.917 0.375 CB 1.530 25 residues pruned to eliminate duplicates Z: 19 18.626 2.125 0.450 0.549 0.889 0.389 CA 1.529 19 residues pruned to eliminate duplicates Z: 30 20.881 2.066 0.551 0.585 0.862 0.586 CB 1.294 30 residues pruned to eliminate duplicates Z: 20 19.880 2.063 0.633 0.542 0.895 0.474 CA 1.452 20 residues pruned to eliminate duplicates Z: 44 23.540 1.967 0.458 0.480 0.930 0.581 CB 1.374 44 residues pruned to eliminate duplicates Z: 66 40.816 2.074 0.566 0.635 0.954 0.538 CB 1.440 66 residues pruned to eliminate duplicates Z: 20 24.079 2.125 0.771 0.551 0.895 0.684 CA 1.561 20 residues pruned to eliminate duplicates Z: 57 28.560 2.002 0.435 0.501 0.911 0.518 CB 1.457 57 residues pruned to eliminate duplicates Z: 30 26.017 2.124 0.698 0.574 0.897 0.517 CB 1.390 30 residues pruned to eliminate duplicates Z: 24 22.440 2.055 0.631 0.500 0.913 0.435 CA 1.529 24 residues pruned to eliminate duplicates Z: 30 25.785 2.138 0.626 0.560 0.897 0.517 CB 1.449 30 residues pruned to eliminate duplicates Z: 62 36.896 2.106 0.481 0.608 0.967 0.607 CB 1.414 62 residues pruned to eliminate duplicates Z: 17 7.311 1.793 0.340 0.442 0.750 0.438 CB 1.077 17 residues pruned to eliminate duplicates Z: 12 10.180 1.891 0.457 0.653 1.000 0.636 CB 0.966 12 residues pruned to eliminate duplicates Z: 22 15.986 1.947 0.363 0.511 0.905 0.571 CB 1.438 22 residues pruned to eliminate duplicates Z: 47 31.829 2.027 0.521 0.688 0.957 0.674 CB 1.339 47 residues pruned to eliminate duplicates Z: 40 25.841 2.049 0.542 0.525 0.872 0.538 CB 1.465 40 residues pruned to eliminate duplicates Z: 51 25.150 1.946 0.417 0.641 0.960 0.640 CB 1.177 51 residues pruned to eliminate duplicates Z: 47 26.018 1.956 0.435 0.631 0.891 0.630 CB 1.355 47 residues pruned to eliminate duplicates Z: 25 14.096 1.941 0.354 0.430 0.917 0.542 CB 1.284 25 residues pruned to eliminate duplicates Z: 43 27.874 2.050 0.479 0.693 0.881 0.643 CB 1.349 43 residues pruned to eliminate duplicates Z: 48 30.521 1.994 0.510 0.661 0.936 0.617 CB 1.360 48 residues pruned to eliminate duplicates Z: 23 14.682 1.856 0.447 0.483 0.909 0.591 CB 1.305 23 residues pruned to eliminate duplicates Z: 36 23.607 1.977 0.491 0.600 0.886 0.514 CA 1.389 36 residues pruned to eliminate duplicates Z: 36 34.982 2.068 0.676 0.738 0.971 0.714 CA 1.418 36 residues pruned to eliminate duplicates Z: 23 15.966 1.934 0.481 0.505 0.909 0.591 CB 1.300 23 residues pruned to eliminate duplicates Z: 47 30.365 2.012 0.445 0.683 0.978 0.587 CB 1.330 47 residues pruned to eliminate duplicates Z: 65 36.629 2.073 0.527 0.616 0.922 0.641 CB 1.406 65 residues pruned to eliminate duplicates Z: 46 33.221 2.041 0.511 0.690 0.956 0.556 CB 1.413 46 residues pruned to eliminate duplicates Z: 46 34.771 2.041 0.489 0.724 1.000 0.622 CB 1.393 46 residues pruned to eliminate duplicates Z: 46 30.738 2.036 0.427 0.698 0.933 0.578 CB 1.411 46 residues pruned to eliminate duplicates Z: 43 30.209 2.053 0.485 0.649 0.952 0.548 CB 1.397 43 residues pruned to eliminate duplicates Z: 44 23.422 1.986 0.376 0.564 0.907 0.488 CA 1.355 44 residues pruned to eliminate duplicates Z: 47 29.809 2.011 0.528 0.663 0.891 0.609 CA 1.380 47 residues pruned to eliminate duplicates Z: 35 27.009 2.050 0.485 0.655 0.971 0.618 CA 1.358 35 residues pruned to eliminate duplicates Z: 59 36.345 1.908 0.663 0.657 0.966 0.569 CA 1.346 144 residues pruned to eliminate duplicates Z: 25 22.989 1.993 0.434 0.909 0.958 0.792 CA 1.215 25 residues pruned to eliminate duplicates Z: 37 29.457 2.016 0.635 0.672 0.972 0.528 CA 1.307 37 residues pruned to eliminate duplicates Z: 48 31.279 1.985 0.518 0.656 0.957 0.596 CA 1.368 48 residues pruned to eliminate duplicates Z: 46 32.644 2.027 0.506 0.648 0.956 0.600 CB 1.453 46 residues pruned to eliminate duplicates Z: 38 24.548 2.014 0.475 0.670 0.865 0.568 CA 1.343 38 residues pruned to eliminate duplicates Z: 33 30.739 2.090 0.672 0.653 0.938 0.562 CA 1.439 33 residues pruned to eliminate duplicates Z: 36 29.625 2.062 0.636 0.717 0.886 0.600 CA 1.377 36 residues pruned to eliminate duplicates Z: 36 32.959 2.071 0.740 0.701 0.914 0.571 CA 1.409 36 residues pruned to eliminate duplicates Z: 50 30.751 1.978 0.626 0.634 0.898 0.490 CB 1.342 50 residues pruned to eliminate duplicates Z: 36 29.024 2.066 0.569 0.680 0.914 0.600 CA 1.402 36 residues pruned to eliminate duplicates Z: 36 29.592 2.049 0.592 0.698 0.943 0.686 CA 1.357 36 residues pruned to eliminate duplicates Z: 44 32.645 2.031 0.606 0.711 0.930 0.605 CB 1.355 44 residues pruned to eliminate duplicates Z: 60 34.144 1.904 0.626 0.636 0.966 0.373 CB 1.309 60 residues pruned to eliminate duplicates Z: 67 43.434 2.001 0.665 0.697 0.970 0.576 CB 1.382 78 residues pruned to eliminate duplicates Z: 23 33.518 2.132 0.658 0.923 1.000 0.545 CB 1.420 23 residues pruned to eliminate duplicates Z: 47 27.200 2.007 0.458 0.605 0.957 0.478 CB 1.296 47 residues pruned to eliminate duplicates Z: 26 27.258 2.027 0.542 0.781 0.960 0.760 CB 1.418 26 residues pruned to eliminate duplicates Z: 23 27.250 2.080 0.653 0.740 0.909 0.591 CB 1.498 23 residues pruned to eliminate duplicates Z: 23 30.351 2.080 0.688 0.849 0.955 0.500 CB 1.431 23 residues pruned to eliminate duplicates Z: 26 24.891 2.033 0.667 0.743 0.960 0.560 CB 1.231 70 residues pruned to eliminate duplicates Z: 54 30.432 1.980 0.699 0.633 0.906 0.566 CB 1.211 54 residues pruned to eliminate duplicates Z: 23 29.655 2.112 0.758 0.752 0.909 0.500 CB 1.496 23 residues pruned to eliminate duplicates Z: 21 30.850 2.131 0.877 0.803 0.950 0.500 CB 1.393 21 residues pruned to eliminate duplicates Z: 27 28.098 1.978 0.786 0.761 1.000 0.654 CB 1.237 27 residues pruned to eliminate duplicates Z: 25 28.928 2.029 0.658 0.764 1.000 0.542 CB 1.388 25 residues pruned to eliminate duplicates Z: 24 24.732 2.050 0.774 0.697 0.870 0.478 CB 1.363 24 residues pruned to eliminate duplicates Z: 24 25.540 2.016 0.797 0.734 0.870 0.565 CB 1.371 24 residues pruned to eliminate duplicates Z: 26 32.330 2.028 0.932 0.784 0.960 0.720 CB 1.338 26 residues pruned to eliminate duplicates Z: 22 30.029 2.089 0.936 0.810 0.905 0.571 CB 1.367 22 residues pruned to eliminate duplicates Z: 26 27.842 2.016 0.843 0.733 0.880 0.480 CB 1.381 26 residues pruned to eliminate duplicates Z: 25 31.103 1.963 0.896 0.822 0.958 0.583 CB 1.347 25 residues pruned to eliminate duplicates Z: 24 33.329 2.095 0.795 0.812 1.000 0.652 CB 1.408 24 residues pruned to eliminate duplicates Z: 32 26.355 1.950 0.736 0.673 0.935 0.581 CB 1.274 32 residues pruned to eliminate duplicates Z: 26 29.541 2.000 0.791 0.779 0.960 0.640 CB 1.343 26 residues pruned to eliminate duplicates Z: 26 32.764 2.004 0.883 0.776 1.000 0.600 CB 1.361 26 residues pruned to eliminate duplicates Z: 26 32.387 2.028 0.831 0.783 0.960 0.720 CB 1.415 26 residues pruned to eliminate duplicates Z: 30 25.674 1.943 0.773 0.696 0.897 0.586 CB 1.291 30 residues pruned to eliminate duplicates Z: 23 35.063 2.071 0.958 0.857 0.955 0.727 CB 1.424 23 residues pruned to eliminate duplicates Z: 48 27.303 1.921 0.671 0.560 0.915 0.553 CB 1.280 48 residues pruned to eliminate duplicates Z: 46 25.254 1.977 0.525 0.649 0.844 0.600 CB 1.287 26 residues pruned to eliminate duplicates Z: 31 24.524 1.940 0.810 0.789 0.833 0.467 CB 1.187 31 residues pruned to eliminate duplicates Z: 45 25.077 1.965 0.570 0.629 0.909 0.523 CB 1.194 23 residues pruned to eliminate duplicates Z: 6 6.649 1.853 0.080 0.875 1.000 0.600 CB 1.080 6 residues pruned to eliminate duplicates Z: 22 12.568 1.887 0.386 0.560 0.952 0.619 CB 1.039 22 residues pruned to eliminate duplicates Z: 38 27.502 2.043 0.812 0.638 0.838 0.622 CB 1.280 44 residues pruned to eliminate duplicates Z: 10 7.969 1.796 0.521 0.668 1.000 0.667 CB 0.833 10 residues pruned to eliminate duplicates Z: 26 12.916 1.882 0.528 0.527 0.800 0.400 CB 1.093 26 residues pruned to eliminate duplicates Z: 27 19.260 1.919 0.752 0.587 0.846 0.423 CB 1.221 27 residues pruned to eliminate duplicates Z: 42 30.174 2.059 0.799 0.676 0.902 0.585 CB 1.199 36 residues pruned to eliminate duplicates Z: 14 23.716 2.209 0.603 0.834 0.923 0.692 CA 1.508 14 residues pruned to eliminate duplicates Z: 44 30.403 2.019 0.788 0.656 0.907 0.605 CB 1.225 44 residues pruned to eliminate duplicates Z: 70 41.558 2.004 0.892 0.659 0.928 0.609 CB 1.227 70 residues pruned to eliminate duplicates Z: 11 25.022 2.163 0.804 0.907 1.000 0.500 CA 1.442 11 residues pruned to eliminate duplicates Z: 23 20.165 2.006 0.755 0.614 0.864 0.409 CB 1.269 23 residues pruned to eliminate duplicates Z: 21 22.764 2.083 0.869 0.651 0.900 0.550 CB 1.262 21 residues pruned to eliminate duplicates Z: 23 24.248 2.038 0.874 0.626 0.909 0.636 CB 1.322 23 residues pruned to eliminate duplicates Z: 42 28.777 2.030 0.710 0.612 0.902 0.585 CB 1.290 42 residues pruned to eliminate duplicates Z: 37 35.590 2.083 1.049 0.686 0.917 0.694 CB 1.279 37 residues pruned to eliminate duplicates Z: 39 28.897 2.048 0.836 0.647 0.868 0.711 CB 1.251 39 residues pruned to eliminate duplicates Z: 45 30.909 2.007 0.848 0.642 0.886 0.659 CB 1.241 45 residues pruned to eliminate duplicates Z: 15 20.499 2.208 0.628 0.788 0.929 0.786 CA 1.274 15 residues pruned to eliminate duplicates Z: 34 28.400 2.057 0.624 0.672 0.939 0.727 CB 1.345 34 residues pruned to eliminate duplicates Z: 39 28.855 2.045 0.708 0.649 0.947 0.605 CB 1.231 39 residues pruned to eliminate duplicates Z: 42 28.019 2.033 0.605 0.667 0.902 0.756 CB 1.274 42 residues pruned to eliminate duplicates Z: 23 18.315 1.918 0.558 0.647 0.909 0.773 CB 1.253 23 residues pruned to eliminate duplicates Z: 38 24.503 2.032 0.525 0.666 0.892 0.676 CB 1.250 38 residues pruned to eliminate duplicates Z: 67 35.988 2.012 0.667 0.670 0.909 0.667 CB 1.241 67 residues pruned to eliminate duplicates Z: 26 18.402 1.899 0.579 0.599 0.880 0.640 CA 1.270 26 residues pruned to eliminate duplicates Z: 21 20.933 2.025 0.642 0.704 0.950 0.600 CB 1.230 21 residues pruned to eliminate duplicates Z: 42 29.366 2.036 0.644 0.666 0.927 0.585 CB 1.268 42 residues pruned to eliminate duplicates Z: 15 16.548 1.938 0.788 0.730 0.929 0.714 CA 1.117 15 residues pruned to eliminate duplicates Z: 40 25.773 2.019 0.618 0.648 0.923 0.615 CB 1.193 40 residues pruned to eliminate duplicates Z: 40 28.601 2.027 0.715 0.667 0.923 0.692 CB 1.223 40 residues pruned to eliminate duplicates Z: 44 28.194 2.012 0.596 0.647 0.930 0.674 CB 1.255 44 residues pruned to eliminate duplicates Z: 9 6.265 1.648 0.539 0.631 1.000 0.750 CB 0.773 9 residues pruned to eliminate duplicates Z: 45 28.087 1.978 0.686 0.648 0.932 0.750 CB 1.186 45 residues pruned to eliminate duplicates Z: 10 6.672 1.506 0.638 0.498 0.889 0.667 CB 1.017 9 residues pruned to eliminate duplicates Z: 7 7.700 1.506 0.656 0.800 1.000 0.333 CB 0.970 7 residues pruned to eliminate duplicates Z: 15 15.564 1.906 0.597 0.826 0.857 0.714 CB 1.202 15 residues pruned to eliminate duplicates Z: 12 23.439 2.122 0.642 0.900 1.000 0.818 CB 1.449 12 residues pruned to eliminate duplicates Z: 13 22.657 2.045 0.859 0.854 0.917 0.833 CB 1.386 13 residues pruned to eliminate duplicates Z: 13 19.071 2.026 0.676 0.849 0.917 0.917 CB 1.311 13 residues pruned to eliminate duplicates Z: 13 23.738 2.033 0.732 0.847 1.000 0.667 CB 1.445 13 residues pruned to eliminate duplicates Z: 13 22.600 2.035 0.915 0.851 0.917 0.583 CB 1.351 13 residues pruned to eliminate duplicates Z: 30 27.167 1.876 0.617 0.688 0.966 0.724 CB 1.449 30 residues pruned to eliminate duplicates Z: 13 21.365 2.041 0.668 0.824 1.000 0.667 CB 1.369 13 residues pruned to eliminate duplicates Z: 13 20.330 2.017 0.768 0.830 0.917 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 13 19.270 2.023 0.538 0.823 1.000 0.667 CB 1.352 13 residues pruned to eliminate duplicates Z: 30 26.005 1.920 0.598 0.653 0.931 0.621 CB 1.467 30 residues pruned to eliminate duplicates Z: 31 25.626 1.899 0.623 0.639 0.967 0.733 CB 1.379 31 residues pruned to eliminate duplicates Z: 34 21.842 1.880 0.662 0.564 0.879 0.667 CB 1.301 34 residues pruned to eliminate duplicates Z: 16 17.937 1.854 0.481 0.678 1.000 0.867 CA 1.432 16 residues pruned to eliminate duplicates Z: 18 14.714 1.723 0.528 0.607 1.000 0.824 CA 1.225 18 residues pruned to eliminate duplicates Z: 16 19.888 1.880 0.588 0.687 1.000 0.800 CA 1.448 16 residues pruned to eliminate duplicates Z: 16 19.118 1.888 0.444 0.700 1.000 0.933 CA 1.508 16 residues pruned to eliminate duplicates Z: 17 17.536 1.886 0.561 0.628 0.875 0.750 CA 1.508 17 residues pruned to eliminate duplicates Z: 19 16.653 1.808 0.525 0.583 0.889 0.722 CA 1.479 19 residues pruned to eliminate duplicates Z: 18 17.819 1.829 0.457 0.615 1.000 0.824 CA 1.455 18 residues pruned to eliminate duplicates Z: 30 27.380 1.868 0.625 0.661 1.000 0.793 CB 1.443 30 residues pruned to eliminate duplicates Z: 9 14.384 1.890 0.480 0.874 0.875 0.750 CA 1.512 9 residues pruned to eliminate duplicates Z: 17 19.602 1.877 0.525 0.647 1.000 0.688 CA 1.493 17 residues pruned to eliminate duplicates Z: 18 14.623 1.784 0.434 0.601 0.941 0.765 CA 1.337 18 residues pruned to eliminate duplicates Z: 17 17.725 1.852 0.554 0.644 0.938 0.438 CA 1.436 17 residues pruned to eliminate duplicates Z: 30 21.958 1.919 0.370 0.638 0.931 0.759 CB 1.464 30 residues pruned to eliminate duplicates Z: 26 16.820 1.873 0.450 0.527 0.880 0.680 CA 1.371 26 residues pruned to eliminate duplicates Z: 25 19.136 1.872 0.419 0.576 1.000 0.708 CA 1.367 25 residues pruned to eliminate duplicates Z: 11 5.400 1.671 0.283 0.327 0.900 0.700 CA 1.070 11 residues pruned to eliminate duplicates Z: 12 6.260 1.593 0.382 0.360 0.909 0.727 CA 1.097 12 residues pruned to eliminate duplicates Z: 9 6.635 1.839 0.400 0.267 0.875 0.625 CA 1.357 9 residues pruned to eliminate duplicates Z: 8 5.924 1.910 0.077 0.281 1.000 0.429 CA 1.394 8 residues pruned to eliminate duplicates Z: 8 8.466 1.794 0.543 0.427 1.000 0.857 CA 1.248 8 residues pruned to eliminate duplicates Z: 9 6.582 1.919 0.209 0.320 0.875 0.500 CA 1.398 9 residues pruned to eliminate duplicates Z: 10 6.917 1.782 0.249 0.366 0.889 0.667 CB 1.346 10 residues pruned to eliminate duplicates Z: 50 28.237 1.848 0.484 0.563 0.939 0.612 CB 1.474 50 residues pruned to eliminate duplicates Z: 35 20.141 1.821 0.357 0.535 0.971 0.765 CB 1.392 35 residues pruned to eliminate duplicates Z: 38 17.461 1.766 0.374 0.453 0.892 0.595 CB 1.391 38 residues pruned to eliminate duplicates Z: 22 8.894 1.701 0.241 0.305 0.905 0.619 CB 1.263 22 residues pruned to eliminate duplicates Z: 38 18.191 1.777 0.438 0.476 0.892 0.622 CA 1.345 38 residues pruned to eliminate duplicates Z: 19 13.163 1.799 0.492 0.407 0.944 0.722 CA 1.349 19 residues pruned to eliminate duplicates Z: 16 20.130 2.038 0.167 0.887 1.000 0.733 CB 1.576 16 residues pruned to eliminate duplicates Z: 16 15.372 1.951 0.390 0.726 0.867 0.600 CB 1.378 16 residues pruned to eliminate duplicates Z: 17 13.625 1.959 0.204 0.694 0.875 0.438 CA 1.383 17 residues pruned to eliminate duplicates Z: 16 19.585 2.042 0.422 0.790 0.933 0.600 CB 1.446 16 residues pruned to eliminate duplicates Z: 21 16.643 1.800 0.315 0.725 0.950 0.550 CA 1.351 21 residues pruned to eliminate duplicates Z: 19 17.691 1.904 0.233 0.796 0.944 0.556 CB 1.451 19 residues pruned to eliminate duplicates Z: 16 19.149 2.058 0.292 0.779 0.933 0.467 CB 1.558 16 residues pruned to eliminate duplicates Z: 17 23.385 2.046 0.427 0.826 1.000 0.688 CB 1.510 18 residues pruned to eliminate duplicates Z: 14 19.207 2.137 0.189 0.876 1.000 0.769 CB 1.524 14 residues pruned to eliminate duplicates Z: 33 24.626 2.000 0.444 0.704 0.969 0.719 CB 1.292 51 residues pruned to eliminate duplicates Z: 19 20.108 1.912 0.490 0.753 0.944 0.611 CB 1.406 Z: 16 22.364 2.075 0.446 0.887 1.000 0.867 CB 1.387 19 residues pruned to eliminate duplicates Z: 16 22.590 2.069 0.555 0.860 1.000 0.667 CB 1.333 16 residues pruned to eliminate duplicates Z: 16 23.683 2.086 0.478 0.855 1.000 0.533 CB 1.464 16 residues pruned to eliminate duplicates Z: 17 23.549 2.031 0.595 0.875 0.938 0.562 CB 1.410 16 residues pruned to eliminate duplicates Z: 15 22.686 2.041 0.664 0.910 1.000 0.786 CA 1.266 16 residues pruned to eliminate duplicates Z: 15 24.807 1.983 0.806 0.893 1.000 0.786 CB 1.329 15 residues pruned to eliminate duplicates Z: 16 22.706 2.077 0.799 0.800 1.000 0.867 CB 1.207 16 residues pruned to eliminate duplicates Z: 30 17.551 1.947 0.394 0.645 0.931 0.690 CB 1.126 30 residues pruned to eliminate duplicates Z: 16 25.046 2.085 0.864 0.794 0.933 0.733 CB 1.378 16 residues pruned to eliminate duplicates Z: 30 21.693 1.977 0.567 0.674 0.897 0.552 CB 1.235 30 residues pruned to eliminate duplicates Z: 17 23.025 2.084 0.942 0.751 0.875 0.375 CB 1.299 17 residues pruned to eliminate duplicates Z: 42 21.792 1.882 0.496 0.634 0.902 0.561 CB 1.182 42 residues pruned to eliminate duplicates Z: 43 23.713 1.878 0.527 0.632 0.952 0.571 CB 1.184 41 residues pruned to eliminate duplicates Z: 11 31.252 2.007 1.302 0.893 1.000 0.700 CA 1.535 11 residues pruned to eliminate duplicates Z: 31 21.911 1.983 0.539 0.646 0.933 0.533 CB 1.225 31 residues pruned to eliminate duplicates Z: 36 24.216 1.906 0.631 0.680 0.971 0.543 CB 1.148 36 residues pruned to eliminate duplicates Z: 31 19.878 1.960 0.508 0.625 0.900 0.500 CB 1.213 31 residues pruned to eliminate duplicates Z: 44 21.323 1.847 0.503 0.598 0.953 0.558 CB 1.118 43 residues pruned to eliminate duplicates Z: 16 24.478 2.102 0.887 0.789 0.933 0.667 CB 1.325 16 residues pruned to eliminate duplicates Z: 29 24.049 2.005 0.578 0.666 1.000 0.643 CB 1.232 29 residues pruned to eliminate duplicates Z: 23 18.808 1.911 0.649 0.583 0.909 0.591 CB 1.292 23 residues pruned to eliminate duplicates Z: 30 24.412 1.992 0.640 0.665 0.966 0.586 CB 1.233 30 residues pruned to eliminate duplicates Z: 30 20.112 1.994 0.495 0.662 0.897 0.517 CB 1.202 30 residues pruned to eliminate duplicates Z: 30 21.470 1.985 0.694 0.664 0.862 0.621 CB 1.182 30 residues pruned to eliminate duplicates Z: 29 20.671 1.888 0.642 0.625 0.929 0.679 CB 1.206 29 residues pruned to eliminate duplicates Z: 32 20.614 1.963 0.623 0.615 0.903 0.548 CB 1.154 32 residues pruned to eliminate duplicates Z: 42 22.744 1.891 0.507 0.612 0.951 0.537 CB 1.178 42 residues pruned to eliminate duplicates Z: 23 17.134 1.914 0.547 0.592 0.909 0.864 CB 1.242 23 residues pruned to eliminate duplicates Z: 33 21.682 1.954 0.620 0.599 0.875 0.500 CB 1.259 33 residues pruned to eliminate duplicates Z: 24 20.058 1.928 0.600 0.584 0.957 0.609 CB 1.307 24 residues pruned to eliminate duplicates Z: 33 17.999 1.914 0.461 0.585 0.906 0.375 CB 1.157 33 residues pruned to eliminate duplicates Z: 44 21.602 1.872 0.548 0.594 0.907 0.581 CB 1.145 44 residues pruned to eliminate duplicates Z: 35 24.976 1.902 0.611 0.716 0.971 0.647 CB 1.185 35 residues pruned to eliminate duplicates Z: 26 18.099 1.842 0.676 0.654 0.920 0.720 CB 1.104 26 residues pruned to eliminate duplicates Z: 35 20.526 1.822 0.570 0.608 0.912 0.765 CB 1.218 36 residues pruned to eliminate duplicates Z: 11 10.658 1.702 0.457 0.830 1.000 0.900 CB 1.022 11 residues pruned to eliminate duplicates Z: 6 2.014 1.364 0.209 0.473 0.600 0.400 CB 0.936 6 residues pruned to eliminate duplicates Z: 39 21.552 1.880 0.613 0.590 0.868 0.579 CB 1.218 39 residues pruned to eliminate duplicates Z: 42 20.601 1.891 0.457 0.608 0.878 0.512 CB 1.200 42 residues pruned to eliminate duplicates Z: 41 20.253 1.891 0.489 0.623 0.875 0.550 CB 1.157 41 residues pruned to eliminate duplicates Z: 10 6.653 1.695 0.124 0.434 1.000 0.556 CA 1.246 10 residues pruned to eliminate duplicates Z: 8 5.838 1.770 0.110 0.350 1.000 0.429 CA 1.322 8 residues pruned to eliminate duplicates Z: 10 9.812 1.725 0.257 0.769 1.000 0.778 CB 1.188 Z: 9 12.507 1.865 0.357 0.817 1.000 0.500 CB 1.327 9 residues pruned to eliminate duplicates Z: 10 11.278 1.775 0.231 0.835 1.000 0.667 CA 1.289 10 residues pruned to eliminate duplicates Z: 9 13.979 1.938 0.487 0.729 1.000 0.625 CB 1.395 10 residues pruned to eliminate duplicates Z: 10 12.155 1.783 0.487 0.751 1.000 0.889 CA 1.221 10 residues pruned to eliminate duplicates Z: 9 12.346 1.923 0.475 0.684 0.875 0.625 CB 1.485 9 residues pruned to eliminate duplicates Z: 42 27.164 1.975 0.494 0.650 0.951 0.537 CB 1.315 43 residues pruned to eliminate duplicates Z: 10 9.573 1.659 0.502 0.861 0.889 0.778 CB 1.058 11 residues pruned to eliminate duplicates Z: 10 8.832 1.762 0.323 0.807 0.889 0.556 CB 1.087 10 residues pruned to eliminate duplicates Z: 14 10.843 1.813 0.352 0.450 0.923 0.615 CB 1.399 14 residues pruned to eliminate duplicates Z: 17 13.751 1.843 0.370 0.541 0.938 0.625 CB 1.394 17 residues pruned to eliminate duplicates Z: 15 8.874 1.718 0.274 0.467 0.857 0.571 CA 1.307 15 residues pruned to eliminate duplicates Z: 14 10.213 1.813 0.393 0.566 0.846 0.538 CB 1.244 14 residues pruned to eliminate duplicates Z: 42 25.834 1.987 0.327 0.715 0.951 0.610 CB 1.324 42 residues pruned to eliminate duplicates Z: 18 13.906 1.848 0.298 0.566 0.941 0.706 CB 1.402 18 residues pruned to eliminate duplicates Z: 43 26.404 1.986 0.334 0.742 0.929 0.595 CB 1.333 43 residues pruned to eliminate duplicates Z: 7 2.647 1.739 -0.062 0.268 0.667 0.333 CB 1.294 7 residues pruned to eliminate duplicates Z: 41 25.095 1.967 0.310 0.699 0.950 0.625 CB 1.353 41 residues pruned to eliminate duplicates Z: 41 26.249 1.999 0.344 0.723 0.925 0.750 CB 1.366 41 residues pruned to eliminate duplicates Z: 35 21.124 1.932 0.460 0.594 0.912 0.559 CB 1.288 35 residues pruned to eliminate duplicates Z: 43 27.431 1.990 0.455 0.717 0.929 0.571 CB 1.294 43 residues pruned to eliminate duplicates Z: 25 26.730 2.042 0.444 0.835 1.000 0.750 CA 1.386 25 residues pruned to eliminate duplicates Z: 32 25.871 2.033 0.420 0.738 0.968 0.774 CB 1.344 32 residues pruned to eliminate duplicates Z: 42 30.564 2.010 0.536 0.680 0.976 0.537 CB 1.343 42 residues pruned to eliminate duplicates Z: 25 30.047 2.085 0.626 0.917 1.000 0.708 CB 1.276 24 residues pruned to eliminate duplicates Z: 23 28.414 2.091 0.602 0.886 1.000 0.727 CB 1.304 23 residues pruned to eliminate duplicates Z: 26 22.511 2.026 0.497 0.741 0.960 0.640 CB 1.245 26 residues pruned to eliminate duplicates Z: 28 23.703 2.067 0.412 0.771 0.926 0.556 CB 1.328 28 residues pruned to eliminate duplicates Z: 22 28.499 2.129 0.631 0.871 0.952 0.524 CA 1.372 22 residues pruned to eliminate duplicates Z: 26 24.217 2.057 0.362 0.776 0.960 0.680 CB 1.411 26 residues pruned to eliminate duplicates Z: 24 27.765 2.105 0.494 0.916 0.957 0.696 CA 1.359 24 residues pruned to eliminate duplicates Z: 42 31.163 1.990 0.557 0.717 0.951 0.732 CB 1.356 42 residues pruned to eliminate duplicates Z: 41 25.010 1.982 0.319 0.678 0.925 0.750 CB 1.388 41 residues pruned to eliminate duplicates Z: 20 28.045 2.142 0.621 0.909 0.947 0.684 CA 1.388 20 residues pruned to eliminate duplicates Z: 43 26.377 1.972 0.395 0.707 0.929 0.595 CB 1.320 43 residues pruned to eliminate duplicates Z: 24 25.520 2.091 0.505 0.842 0.913 0.609 CA 1.380 24 residues pruned to eliminate duplicates Z: 43 28.722 1.975 0.465 0.695 0.952 0.643 CB 1.346 43 residues pruned to eliminate duplicates Z: 27 22.975 2.028 0.437 0.799 0.962 0.692 CA 1.238 27 residues pruned to eliminate duplicates Z: 40 27.038 2.002 0.456 0.686 0.897 0.538 CB 1.395 40 residues pruned to eliminate duplicates Z: 42 22.317 1.921 0.515 0.589 0.878 0.512 CB 1.252 41 residues pruned to eliminate duplicates Z: 28 28.391 1.919 0.818 0.898 0.963 0.444 CB 1.163 27 residues pruned to eliminate duplicates Z: 24 28.465 2.009 0.797 0.912 0.957 0.348 CB 1.217 24 residues pruned to eliminate duplicates Z: 27 18.707 2.010 0.460 0.768 0.808 0.385 CB 1.220 27 residues pruned to eliminate duplicates Z: 41 25.747 1.975 0.577 0.675 0.850 0.575 CB 1.308 41 residues pruned to eliminate duplicates Z: 34 19.289 1.915 0.598 0.670 0.848 0.424 CB 1.106 34 residues pruned to eliminate duplicates Z: 34 33.092 2.123 0.668 0.657 0.909 0.727 CB 1.547 19 residues pruned to eliminate duplicates Z: 24 26.505 2.097 0.559 0.801 0.957 0.652 CB 1.359 24 residues pruned to eliminate duplicates Z: 63 37.903 2.055 0.574 0.719 0.919 0.548 CB 1.328 83 residues pruned to eliminate duplicates Z: 22 23.555 2.055 0.369 0.919 1.000 0.952 CB 1.288 22 residues pruned to eliminate duplicates Z: 22 29.378 2.168 0.639 0.803 1.000 0.667 CB 1.384 22 residues pruned to eliminate duplicates Z: 22 31.350 2.142 0.662 0.802 1.000 0.667 CB 1.477 22 residues pruned to eliminate duplicates Z: 45 41.476 2.131 0.780 0.797 0.932 0.523 CB 1.364 45 residues pruned to eliminate duplicates Z: 63 40.982 2.008 0.731 0.709 0.935 0.532 CB 1.324 62 residues pruned to eliminate duplicates Z: 19 35.194 2.146 0.876 0.931 1.000 0.944 CB 1.440 19 residues pruned to eliminate duplicates Z: 44 35.959 2.084 0.657 0.793 0.907 0.488 CB 1.354 44 residues pruned to eliminate duplicates Z: 20 44.327 2.256 1.211 0.882 1.000 0.737 CB 1.475 22 residues pruned to eliminate duplicates Z: 20 34.438 2.110 0.987 0.899 1.000 0.842 CA 1.347 20 residues pruned to eliminate duplicates Z: 23 31.241 2.133 0.925 0.765 0.909 0.727 CB 1.410 23 residues pruned to eliminate duplicates Z: 45 35.187 2.118 0.771 0.812 0.909 0.477 CB 1.186 45 residues pruned to eliminate duplicates Z: 31 28.439 2.116 0.905 0.720 0.867 0.633 CB 1.218 31 residues pruned to eliminate duplicates Z: 23 34.003 2.136 1.127 0.810 1.000 0.682 CB 1.218 23 residues pruned to eliminate duplicates Z: 64 40.519 2.031 0.730 0.702 0.905 0.556 CB 1.336 64 residues pruned to eliminate duplicates Z: 21 38.099 2.190 1.071 0.836 1.000 0.650 CB 1.405 21 residues pruned to eliminate duplicates Z: 29 29.701 2.113 0.841 0.700 0.929 0.393 CB 1.295 21 residues pruned to eliminate duplicates Z: 21 33.973 2.095 1.256 0.920 0.900 0.550 CB 1.258 21 residues pruned to eliminate duplicates Z: 32 30.197 2.071 0.932 0.664 0.903 0.419 CB 1.290 29 residues pruned to eliminate duplicates Z: 19 36.930 2.196 1.086 0.881 0.944 0.389 CB 1.458 19 residues pruned to eliminate duplicates Z: 62 42.886 2.107 0.825 0.669 0.885 0.623 CB 1.380 33 residues pruned to eliminate duplicates Z: 8 7.794 1.961 0.341 0.566 0.857 0.714 CB 1.226 8 residues pruned to eliminate duplicates Z: 22 16.088 2.043 0.478 0.671 0.905 0.857 CB 1.097 22 residues pruned to eliminate duplicates Z: 23 21.310 2.029 0.745 0.656 0.909 0.727 CB 1.221 23 residues pruned to eliminate duplicates Z: 53 27.602 2.025 0.662 0.593 0.846 0.442 CB 1.230 53 residues pruned to eliminate duplicates Z: 11 8.917 2.002 0.155 0.534 1.000 0.500 CB 1.179 11 residues pruned to eliminate duplicates Z: 25 17.746 2.022 0.665 0.606 0.833 0.583 CB 1.168 25 residues pruned to eliminate duplicates Z: 42 34.512 2.078 1.017 0.755 0.854 0.439 CB 1.200 42 residues pruned to eliminate duplicates Z: 14 8.414 1.875 0.388 0.409 0.846 0.538 CA 1.165 14 residues pruned to eliminate duplicates Z: 22 18.749 2.073 0.450 0.632 0.952 0.714 CB 1.262 22 residues pruned to eliminate duplicates Z: 24 13.211 2.004 0.370 0.575 0.870 0.478 CB 1.074 24 residues pruned to eliminate duplicates Z: 35 20.811 1.959 0.395 0.602 0.853 0.647 CB 1.389 31 residues pruned to eliminate duplicates Z: 11 11.156 1.923 0.354 0.799 0.900 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 40 27.740 2.056 0.433 0.628 0.974 0.744 CB 1.372 32 residues pruned to eliminate duplicates Z: 16 13.653 2.009 0.367 0.869 0.933 0.600 CB 1.004 16 residues pruned to eliminate duplicates Z: 8 10.374 1.983 0.233 0.631 1.000 0.714 CA 1.417 8 residues pruned to eliminate duplicates Z: 51 25.811 2.015 0.493 0.570 0.900 0.660 CB 1.260 51 residues pruned to eliminate duplicates Z: 71 40.444 2.037 0.486 0.689 0.986 0.600 CB 1.362 40 residues pruned to eliminate duplicates Z: 8 12.569 2.190 0.326 0.868 1.000 0.857 CB 1.195 8 residues pruned to eliminate duplicates Z: 52 29.184 2.013 0.562 0.574 0.941 0.647 CB 1.285 52 residues pruned to eliminate duplicates Z: 26 31.067 2.201 0.570 0.733 0.960 0.840 CA 1.519 26 residues pruned to eliminate duplicates Z: 17 21.099 2.168 0.440 0.643 1.000 0.688 CA 1.478 17 residues pruned to eliminate duplicates Z: 31 23.906 2.014 0.550 0.579 0.933 0.633 CB 1.388 31 residues pruned to eliminate duplicates Z: 64 35.955 2.013 0.474 0.660 0.952 0.619 CB 1.382 64 residues pruned to eliminate duplicates Z: 48 30.017 2.028 0.506 0.648 0.936 0.638 CB 1.334 48 residues pruned to eliminate duplicates Z: 76 41.723 2.015 0.570 0.682 0.920 0.600 CB 1.401 62 residues pruned to eliminate duplicates Z: 14 20.560 1.967 0.548 0.906 1.000 0.692 CA 1.331 14 residues pruned to eliminate duplicates Z: 16 30.564 2.137 0.997 0.733 1.000 0.467 CB 1.501 16 residues pruned to eliminate duplicates Z: 40 27.505 2.054 0.515 0.620 0.949 0.564 CB 1.331 40 residues pruned to eliminate duplicates Z: 25 22.429 2.003 0.623 0.685 0.917 0.542 CB 1.296 25 residues pruned to eliminate duplicates Z: 31 24.432 2.028 0.658 0.569 0.933 0.633 CB 1.331 31 residues pruned to eliminate duplicates Z: 31 23.563 1.960 0.655 0.602 0.933 0.600 CB 1.289 31 residues pruned to eliminate duplicates Z: 35 29.745 2.018 0.600 0.728 0.941 0.588 CB 1.368 35 residues pruned to eliminate duplicates Z: 27 23.807 1.941 0.752 0.672 0.923 0.577 CB 1.269 27 residues pruned to eliminate duplicates Z: 32 22.868 2.016 0.626 0.535 0.903 0.484 CB 1.340 32 residues pruned to eliminate duplicates Z: 104 47.022 2.025 0.636 0.687 0.932 0.583 CB 1.264 104 residues pruned to eliminate duplicates Z: 28 24.071 1.943 0.725 0.654 0.926 0.630 CB 1.293 28 residues pruned to eliminate duplicates Z: 34 26.381 2.053 0.743 0.575 0.939 0.515 CB 1.270 34 residues pruned to eliminate duplicates Z: 49 30.911 2.037 0.593 0.643 0.938 0.562 CB 1.284 49 residues pruned to eliminate duplicates Z: 28 18.300 1.934 0.708 0.449 0.926 0.481 CB 1.213 28 residues pruned to eliminate duplicates Z: 16 10.121 1.778 0.534 0.476 0.867 0.400 CB 1.133 16 residues pruned to eliminate duplicates Z: 62 32.469 1.919 0.550 0.701 0.934 0.639 CB 1.246 62 residues pruned to eliminate duplicates Z: 11 9.058 1.914 0.577 0.383 1.000 0.300 CB 1.074 11 residues pruned to eliminate duplicates Z: 29 20.482 1.980 0.566 0.580 0.929 0.643 CB 1.245 29 residues pruned to eliminate duplicates Z: 30 21.970 1.983 0.509 0.642 0.931 0.552 CB 1.282 30 residues pruned to eliminate duplicates Z: 61 36.745 2.018 0.639 0.655 0.950 0.567 CB 1.307 61 residues pruned to eliminate duplicates Z: 48 30.008 2.037 0.518 0.631 0.915 0.511 CB 1.369 48 residues pruned to eliminate duplicates Z: 50 27.538 1.963 0.548 0.622 0.918 0.490 CB 1.257 50 residues pruned to eliminate duplicates Z: 8 3.358 1.797 0.074 0.169 0.857 0.571 CB 1.147 8 residues pruned to eliminate duplicates Z: 35 21.786 1.902 0.478 0.617 0.971 0.588 CB 1.226 35 residues pruned to eliminate duplicates Z: 33 20.053 1.920 0.472 0.576 0.938 0.469 CB 1.243 33 residues pruned to eliminate duplicates Z: 23 17.596 2.030 0.290 0.642 0.955 0.636 CB 1.314 23 residues pruned to eliminate duplicates Z: 27 17.568 1.928 0.449 0.568 0.962 0.538 CB 1.200 27 residues pruned to eliminate duplicates Z: 38 28.366 2.025 0.553 0.699 0.946 0.649 CB 1.307 38 residues pruned to eliminate duplicates Z: 42 25.955 1.999 0.414 0.670 0.951 0.610 CB 1.288 42 residues pruned to eliminate duplicates Z: 77 42.770 2.004 0.641 0.666 0.961 0.618 CB 1.333 77 residues pruned to eliminate duplicates Z: 35 18.030 1.904 0.523 0.539 0.882 0.471 CB 1.162 35 residues pruned to eliminate duplicates Z: 38 33.472 2.032 0.669 0.714 0.973 0.595 CB 1.373 38 residues pruned to eliminate duplicates Z: 58 33.765 2.029 0.496 0.663 0.965 0.544 CB 1.312 58 residues pruned to eliminate duplicates Z: 53 36.271 1.969 0.647 0.714 0.942 0.635 CB 1.356 52 residues pruned to eliminate duplicates Z: 19 21.168 1.875 0.548 0.867 0.944 0.500 CB 1.332 19 residues pruned to eliminate duplicates Z: 23 22.980 2.034 0.680 0.661 0.955 0.545 CB 1.294 23 residues pruned to eliminate duplicates Z: 26 17.095 1.912 0.419 0.617 0.920 0.520 CB 1.226 26 residues pruned to eliminate duplicates Z: 63 37.843 2.019 0.691 0.667 0.919 0.613 CB 1.312 63 residues pruned to eliminate duplicates Z: 45 31.449 1.977 0.657 0.658 0.955 0.614 CB 1.309 45 residues pruned to eliminate duplicates Z: 38 32.314 2.014 0.718 0.705 0.946 0.622 CB 1.347 38 residues pruned to eliminate duplicates Z: 30 33.259 1.995 0.746 0.781 1.000 0.586 CB 1.384 30 residues pruned to eliminate duplicates Z: 44 29.939 1.971 0.628 0.687 0.930 0.581 CB 1.289 44 residues pruned to eliminate duplicates Z: 29 31.137 2.005 0.668 0.802 0.964 0.714 CB 1.401 29 residues pruned to eliminate duplicates Z: 77 42.866 1.989 0.599 0.702 0.947 0.632 CB 1.357 77 residues pruned to eliminate duplicates Z: 11 21.731 2.150 0.555 0.929 1.000 0.800 CB 1.439 11 residues pruned to eliminate duplicates Z: 29 29.364 1.973 0.550 0.754 1.000 0.643 CB 1.447 30 residues pruned to eliminate duplicates Z: 13 26.326 2.160 0.579 0.931 1.000 1.000 CB 1.557 13 residues pruned to eliminate duplicates Z: 58 34.169 1.950 0.631 0.675 0.912 0.561 CB 1.328 58 residues pruned to eliminate duplicates Z: 95 43.585 2.026 0.549 0.671 0.926 0.628 CB 1.322 95 residues pruned to eliminate duplicates Z: 16 21.105 1.936 0.582 0.764 0.933 0.533 CB 1.508 16 residues pruned to eliminate duplicates Z: 76 46.525 2.023 0.698 0.692 0.947 0.760 CB 1.386 76 residues pruned to eliminate duplicates Z: 11 27.673 2.156 0.919 0.900 1.000 1.000 CA 1.511 11 residues pruned to eliminate duplicates Z: 25 31.435 2.061 0.613 0.768 1.000 0.792 CA 1.522 25 residues pruned to eliminate duplicates Z: 13 27.501 2.011 0.833 0.926 1.000 0.833 CB 1.511 13 residues pruned to eliminate duplicates Z: 27 27.402 1.960 0.616 0.739 0.962 0.846 CA 1.424 27 residues pruned to eliminate duplicates Z: 52 38.371 2.021 0.640 0.712 0.980 0.686 CB 1.364 52 residues pruned to eliminate duplicates Z: 76 39.659 1.987 0.582 0.657 0.947 0.600 CB 1.331 76 residues pruned to eliminate duplicates Z: 53 36.261 1.996 0.591 0.700 0.981 0.712 CB 1.346 53 residues pruned to eliminate duplicates Z: 51 28.556 1.953 0.544 0.633 0.900 0.660 CB 1.314 51 residues pruned to eliminate duplicates Z: 14 15.037 1.777 0.498 0.744 1.000 0.846 CA 1.260 14 residues pruned to eliminate duplicates Z: 76 46.585 2.022 0.677 0.689 0.960 0.627 CB 1.389 76 residues pruned to eliminate duplicates Z: 77 45.403 2.004 0.722 0.680 0.934 0.618 CB 1.369 77 residues pruned to eliminate duplicates Z: 26 28.035 1.980 0.754 0.674 0.960 0.720 CB 1.433 26 residues pruned to eliminate duplicates Z: 14 20.394 1.921 0.718 0.715 1.000 0.769 CA 1.411 14 residues pruned to eliminate duplicates Z: 82 44.060 2.017 0.677 0.683 0.926 0.593 CB 1.322 82 residues pruned to eliminate duplicates Z: 52 39.623 1.999 0.777 0.722 0.961 0.843 CB 1.330 52 residues pruned to eliminate duplicates Z: 12 21.258 1.801 0.972 0.881 1.000 0.636 CA 1.307 12 residues pruned to eliminate duplicates Z: 56 38.502 1.994 0.712 0.675 0.964 0.636 CB 1.343 56 residues pruned to eliminate duplicates Z: 17 18.864 1.821 0.692 0.722 1.000 0.625 CB 1.252 17 residues pruned to eliminate duplicates Z: 42 37.224 1.980 0.739 0.768 0.951 0.585 CB 1.399 42 residues pruned to eliminate duplicates Z: 12 6.732 1.597 0.301 0.457 0.909 0.273 O 1.123 7 residues pruned to eliminate duplicates Z: 11 9.681 1.668 0.111 0.761 1.000 0.900 CB 1.310 11 residues pruned to eliminate duplicates Z: 11 7.177 1.635 0.319 0.457 0.900 0.300 O 1.222 11 residues pruned to eliminate duplicates Z: 12 12.756 1.738 0.449 0.610 1.000 0.545 CB 1.377 16 residues pruned to eliminate duplicates Z: 9 13.417 1.689 0.694 0.825 0.875 0.500 CB 1.430 9 residues pruned to eliminate duplicates Z: 9 11.789 1.717 0.437 0.843 1.000 0.500 CB 1.258 9 residues pruned to eliminate duplicates Z: 18 9.232 1.554 0.304 0.492 0.941 0.529 CB 1.183 11 residues pruned to eliminate duplicates Z: 9 9.916 1.643 0.188 0.784 1.000 0.750 N 1.398 9 residues pruned to eliminate duplicates Z: 13 10.088 1.704 0.271 0.620 1.000 0.333 CB 1.201 13 residues pruned to eliminate duplicates Z: 11 9.865 1.719 0.316 0.648 1.000 0.500 CB 1.202 11 residues pruned to eliminate duplicates Z: 13 11.465 1.688 0.464 0.620 1.000 0.417 CB 1.196 18 residues pruned to eliminate duplicates Z: 12 10.404 1.611 0.448 0.710 0.909 0.727 CB 1.222 12 residues pruned to eliminate duplicates 511 residues left after pruning, divided into chains as follows: A: 8 B: 15 C: 12 D: 17 E: 26 F: 144 G: 49 H: 17 I: 42 J: 9 K: 160 L: 12 CC for partial structure against native data = 37.86 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.396, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.452, Connect. = 0.730 for dens.mod. cycle 2 = 0.301, Contrast = 0.541, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.547, Connect. = 0.763 for dens.mod. cycle 4 = 0.301, Contrast = 0.558, Connect. = 0.766 for dens.mod. cycle 5 = 0.300, Contrast = 0.562, Connect. = 0.767 for dens.mod. cycle 6 = 0.301, Contrast = 0.568, Connect. = 0.768 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.769 for dens.mod. cycle 8 = 0.301, Contrast = 0.575, Connect. = 0.770 for dens.mod. cycle 9 = 0.300, Contrast = 0.576, Connect. = 0.771 for dens.mod. cycle 10 TimeTaking 112.73