++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:22:12 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1z82-2.0-parrot-mrncs/1z82-2.0-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1z82-2.0-parrot-mrncs/1z82-2.0-parrot-mrncs.ins Phases from ./1z82-2.0-parrot-mrncs/1z82-2.0-parrot-mrncs.phi Native data from ./1z82-2.0-parrot-mrncs/1z82-2.0-parrot-mrncs.hkl Listing output to ./1z82-2.0-parrot-mrncs/1z82-2.0-parrot-mrncs.lst Phases output to ./1z82-2.0-parrot-mrncs/1z82-2.0-parrot-mrncs.phs Poly-Ala trace output to ./1z82-2.0-parrot-mrncs/1z82-2.0-parrot-mrncs.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-mrncs/1z82-2.0-parrot-mrncs.phi 40539 Reflections read from file ./1z82-2.0-parrot-mrncs/1z82-2.0-parrot-mrncs.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 = 0.338, Connect. = 0.709 for dens.mod. cycle 1 = 0.300, Contrast = 0.405, Connect. = 0.717 for dens.mod. cycle 2 = 0.300, Contrast = 0.495, Connect. = 0.743 for dens.mod. cycle 3 = 0.300, Contrast = 0.522, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.538, Connect. = 0.757 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.562, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.565, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.768 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2605 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 645 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 19.635 2.080 0.528 0.881 0.933 0.867 CA 1.238 B: 27 31.035 2.037 0.642 0.888 1.000 0.731 CB 1.311 C: 24 28.034 2.005 0.704 0.896 0.957 0.870 CA 1.281 16 residues pruned to eliminate duplicates D: 26 32.412 2.068 0.643 0.942 0.960 0.800 CB 1.378 27 residues pruned to eliminate duplicates E: 22 29.395 2.008 0.736 0.934 1.000 1.000 CB 1.283 F: 22 31.091 2.031 0.782 0.916 1.000 0.905 CB 1.325 22 residues pruned to eliminate duplicates G: 9 12.945 2.028 0.516 0.765 1.000 0.625 CB 1.177 H: 23 24.190 2.019 0.473 0.891 1.000 0.864 CA 1.247 24 residues pruned to eliminate duplicates I: 9 12.640 1.858 0.358 0.812 1.000 0.750 CB 1.350 9 residues pruned to eliminate duplicates J: 21 33.079 2.093 0.896 0.939 1.000 0.700 CB 1.295 21 residues pruned to eliminate duplicates K: 23 35.637 2.054 0.950 0.921 1.000 0.818 CB 1.335 23 residues pruned to eliminate duplicates L: 23 33.700 2.042 0.953 0.905 1.000 0.773 CB 1.283 23 residues pruned to eliminate duplicates M: 14 19.944 2.010 0.842 0.894 0.923 0.462 CB 1.161 14 residues pruned to eliminate duplicates N: 21 23.246 1.991 0.788 0.823 0.850 0.600 CB 1.298 21 residues pruned to eliminate duplicates O: 14 28.442 1.983 1.133 0.928 1.000 0.846 CB 1.306 P: 17 23.629 1.893 0.913 0.834 1.000 0.625 CB 1.224 Q: 14 18.503 1.955 0.628 0.861 1.000 0.538 CB 1.185 R: 12 25.581 2.105 0.880 0.903 0.909 0.727 CB 1.528 12 residues pruned to eliminate duplicates S: 23 27.301 2.000 0.757 0.882 0.955 0.682 CB 1.255 23 residues pruned to eliminate duplicates T: 22 32.182 2.045 0.848 0.935 1.000 0.810 CA 1.295 22 residues pruned to eliminate duplicates U: 25 34.832 2.120 0.858 0.931 0.958 0.667 CB 1.316 14 residues pruned to eliminate duplicates V: 14 22.671 2.158 0.500 0.853 1.000 0.462 CB 1.436 14 residues pruned to eliminate duplicates W: 25 31.283 2.086 0.735 0.914 1.000 0.792 CB 1.248 25 residues pruned to eliminate duplicates X: 9 21.079 1.943 0.954 0.922 1.000 0.875 CA 1.380 Y: 13 26.016 1.958 1.237 0.897 0.917 0.667 CB 1.339 12 residues pruned to eliminate duplicates Z: 12 25.188 1.960 0.930 0.899 1.000 0.545 CB 1.435 Z: 22 31.742 2.013 0.961 0.925 1.000 0.810 CB 1.231 22 residues pruned to eliminate duplicates Z: 19 29.170 2.197 0.533 0.902 1.000 0.833 CB 1.456 19 residues pruned to eliminate duplicates Z: 11 10.760 1.651 0.615 0.702 1.000 0.500 CA 1.062 11 residues pruned to eliminate duplicates Z: 25 31.750 2.097 0.833 0.889 0.958 0.625 CB 1.266 25 residues pruned to eliminate duplicates Z: 18 25.542 1.882 0.822 0.886 1.000 0.765 CB 1.304 17 residues pruned to eliminate duplicates Z: 21 42.227 2.133 1.236 0.949 1.000 0.750 CB 1.367 22 residues pruned to eliminate duplicates Z: 18 21.268 1.949 0.602 0.850 1.000 0.765 CB 1.224 Z: 21 31.892 2.103 0.794 0.946 1.000 0.900 CB 1.308 21 residues pruned to eliminate duplicates Z: 22 28.562 1.991 0.670 0.921 1.000 0.667 CB 1.319 22 residues pruned to eliminate duplicates Z: 25 26.638 2.061 0.598 0.897 0.917 0.792 CA 1.289 25 residues pruned to eliminate duplicates Z: 22 31.309 2.033 0.942 0.927 1.000 0.762 CB 1.213 22 residues pruned to eliminate duplicates Z: 12 21.465 2.126 0.841 0.896 0.909 0.727 CA 1.303 Z: 14 25.808 1.999 0.886 0.887 1.000 0.769 CB 1.369 Z: 26 37.391 2.035 0.987 0.926 1.000 0.880 CB 1.296 25 residues pruned to eliminate duplicates Z: 15 20.714 1.854 0.745 0.837 1.000 0.714 CB 1.280 Z: 24 30.075 2.116 0.635 0.900 0.957 0.783 CB 1.354 24 residues pruned to eliminate duplicates Z: 25 29.665 2.134 0.545 0.926 1.000 0.875 CB 1.288 25 residues pruned to eliminate duplicates Z: 19 24.720 1.870 0.785 0.903 1.000 0.667 CB 1.245 19 residues pruned to eliminate duplicates Z: 21 31.092 2.073 0.742 0.944 1.000 0.950 CB 1.334 21 residues pruned to eliminate duplicates Z: 22 34.090 2.042 0.907 0.933 1.000 0.905 CB 1.333 22 residues pruned to eliminate duplicates Z: 16 24.870 2.108 0.768 0.912 0.933 0.867 CA 1.307 16 residues pruned to eliminate duplicates Z: 23 38.837 2.088 1.033 0.921 1.000 0.591 CB 1.374 23 residues pruned to eliminate duplicates Z: 6 12.270 1.878 0.749 0.622 1.000 0.800 CB 1.489 Z: 22 34.459 2.036 1.044 0.936 1.000 0.905 CB 1.258 22 residues pruned to eliminate duplicates Z: 24 32.334 2.149 0.662 0.922 0.957 0.696 CB 1.388 24 residues pruned to eliminate duplicates Z: 25 35.898 2.088 0.931 0.907 1.000 0.792 CB 1.292 25 residues pruned to eliminate duplicates Z: 13 17.930 2.061 0.600 0.916 0.917 0.833 CA 1.209 13 residues pruned to eliminate duplicates Z: 17 15.824 1.817 0.552 0.878 0.812 0.688 CB 1.253 17 residues pruned to eliminate duplicates Z: 20 24.282 2.005 0.600 0.912 1.000 0.895 CA 1.230 20 residues pruned to eliminate duplicates Z: 18 19.384 1.884 0.466 0.878 1.000 0.882 CB 1.235 18 residues pruned to eliminate duplicates Z: 25 35.364 2.131 0.967 0.927 0.958 0.417 CB 1.259 25 residues pruned to eliminate duplicates Z: 8 12.164 1.999 0.561 0.813 1.000 0.429 CB 1.122 Z: 23 20.108 2.073 0.660 0.515 0.818 0.545 CA 1.501 12 residues pruned to eliminate duplicates Z: 17 21.507 1.883 0.599 0.847 1.000 0.750 CB 1.326 17 residues pruned to eliminate duplicates Z: 11 12.661 1.933 1.006 0.833 0.800 0.500 CB 0.968 Z: 13 23.110 1.971 0.826 0.881 1.000 0.750 CB 1.342 12 residues pruned to eliminate duplicates Z: 17 27.724 2.169 0.535 0.932 1.000 0.938 CB 1.454 17 residues pruned to eliminate duplicates Z: 24 32.359 2.160 0.634 0.928 1.000 0.739 CB 1.339 24 residues pruned to eliminate duplicates Z: 13 23.791 1.984 1.033 0.882 0.917 0.833 CA 1.344 13 residues pruned to eliminate duplicates Z: 13 22.650 1.838 1.020 0.901 1.000 0.750 CB 1.257 12 residues pruned to eliminate duplicates Z: 10 21.357 1.949 0.830 0.922 1.000 0.444 CB 1.404 9 residues pruned to eliminate duplicates Z: 11 16.199 1.759 0.623 0.894 1.000 0.900 CA 1.288 Z: 24 29.373 2.090 0.773 0.874 0.957 0.696 CB 1.258 24 residues pruned to eliminate duplicates Z: 12 23.154 2.090 0.774 0.936 1.000 0.909 CB 1.311 12 residues pruned to eliminate duplicates Z: 22 38.055 2.030 1.169 0.948 1.000 0.762 CB 1.302 22 residues pruned to eliminate duplicates Z: 21 20.079 1.972 0.195 0.938 1.000 0.950 CA 1.325 21 residues pruned to eliminate duplicates Z: 17 25.524 1.977 0.886 0.880 1.000 0.500 CB 1.240 18 residues pruned to eliminate duplicates Z: 12 26.694 1.973 0.942 0.943 1.000 0.909 CA 1.456 13 residues pruned to eliminate duplicates Z: 16 21.843 1.857 0.569 0.906 1.000 0.867 CB 1.377 16 residues pruned to eliminate duplicates Z: 27 33.822 2.023 0.782 0.942 1.000 0.692 CB 1.276 27 residues pruned to eliminate duplicates Z: 14 16.896 1.760 0.906 0.867 1.000 0.846 CB 1.022 13 residues pruned to eliminate duplicates Z: 12 26.517 1.985 1.085 0.924 1.000 0.818 CA 1.357 Z: 15 13.681 1.860 0.404 0.896 0.929 0.929 CB 1.080 14 residues pruned to eliminate duplicates Z: 26 33.988 2.078 0.858 0.927 0.960 0.640 CB 1.285 27 residues pruned to eliminate duplicates Z: 7 7.350 1.722 0.489 0.419 1.000 0.333 CB 1.272 Z: 17 18.330 1.834 0.452 0.888 1.000 0.875 CB 1.241 17 residues pruned to eliminate duplicates Z: 11 27.111 2.008 1.413 0.894 1.000 0.700 CB 1.269 12 residues pruned to eliminate duplicates Z: 23 35.443 2.024 1.053 0.938 1.000 0.682 CB 1.264 21 residues pruned to eliminate duplicates Z: 11 27.251 2.146 0.974 0.905 1.000 0.900 CA 1.448 11 residues pruned to eliminate duplicates Z: 23 32.306 2.103 0.769 0.916 0.955 0.773 CB 1.370 23 residues pruned to eliminate duplicates Z: 18 20.479 1.894 0.666 0.846 1.000 0.529 CB 1.170 18 residues pruned to eliminate duplicates Z: 24 27.622 2.103 0.456 0.921 1.000 0.565 CB 1.324 24 residues pruned to eliminate duplicates Z: 8 9.771 2.046 -0.071 0.876 1.000 0.571 CB 1.411 8 residues pruned to eliminate duplicates Z: 13 23.065 2.042 0.888 0.932 0.917 0.833 CA 1.316 13 residues pruned to eliminate duplicates Z: 17 21.431 1.975 0.608 0.874 0.938 0.875 CB 1.309 17 residues pruned to eliminate duplicates Z: 38 30.326 2.000 0.698 0.709 0.919 0.405 CB 1.322 26 residues pruned to eliminate duplicates Z: 8 10.253 1.816 0.619 0.767 0.857 0.571 CB 1.214 8 residues pruned to eliminate duplicates Z: 13 28.040 1.967 1.181 0.898 1.000 0.250 CB 1.350 Z: 11 18.678 1.975 1.214 0.868 0.900 0.800 CB 1.097 11 residues pruned to eliminate duplicates Z: 7 8.979 1.776 0.534 0.850 1.000 0.833 CB 0.996 7 residues pruned to eliminate duplicates Z: 21 21.703 2.007 0.926 0.528 0.900 0.600 CA 1.357 27 residues pruned to eliminate duplicates Z: 20 13.843 1.735 0.360 0.581 0.947 0.632 CB 1.313 11 residues pruned to eliminate duplicates Z: 21 36.015 2.110 1.058 0.938 1.000 0.700 CB 1.290 21 residues pruned to eliminate duplicates Z: 14 27.488 2.001 1.170 0.938 1.000 0.846 CB 1.222 13 residues pruned to eliminate duplicates Z: 8 13.271 1.925 0.468 0.794 1.000 0.429 CA 1.372 8 residues pruned to eliminate duplicates Z: 26 28.501 2.028 0.587 0.931 0.960 0.640 CB 1.289 26 residues pruned to eliminate duplicates Z: 13 26.298 1.946 1.028 0.909 1.000 0.250 CB 1.365 13 residues pruned to eliminate duplicates Z: 9 13.756 2.062 0.575 0.909 1.000 0.875 CA 1.062 8 residues pruned to eliminate duplicates Z: 10 20.219 1.824 1.094 0.876 1.000 0.667 CB 1.282 10 residues pruned to eliminate duplicates Z: 6 7.678 1.736 0.445 0.744 1.000 0.800 CA 1.100 Z: 13 23.102 1.942 0.888 0.888 0.917 0.917 CB 1.430 13 residues pruned to eliminate duplicates Z: 10 20.380 1.948 1.003 0.925 0.889 0.556 CB 1.375 10 residues pruned to eliminate duplicates Z: 24 25.763 1.957 0.507 0.902 1.000 0.870 CA 1.299 24 residues pruned to eliminate duplicates Z: 12 28.798 2.075 1.199 0.887 1.000 0.636 CB 1.373 13 residues pruned to eliminate duplicates Z: 7 16.310 2.088 0.751 0.858 1.000 0.500 CB 1.341 7 residues pruned to eliminate duplicates Z: 25 27.701 2.054 0.398 0.914 1.000 0.750 CB 1.392 25 residues pruned to eliminate duplicates Z: 12 17.701 2.087 0.621 0.925 1.000 0.909 CA 1.108 12 residues pruned to eliminate duplicates Z: 13 24.511 2.113 0.694 0.913 1.000 0.917 CB 1.398 13 residues pruned to eliminate duplicates Z: 22 38.303 2.084 1.222 0.923 1.000 0.762 CB 1.269 22 residues pruned to eliminate duplicates Z: 9 17.457 1.738 0.836 0.906 1.000 0.500 CB 1.375 Z: 21 38.548 2.089 1.180 0.945 1.000 0.550 CB 1.309 21 residues pruned to eliminate duplicates Z: 14 24.918 2.023 0.718 0.934 1.000 0.923 CB 1.387 14 residues pruned to eliminate duplicates Z: 13 17.969 1.966 0.521 0.923 1.000 0.917 CB 1.219 12 residues pruned to eliminate duplicates Z: 16 23.435 1.994 0.655 0.889 1.000 0.800 CB 1.320 16 residues pruned to eliminate duplicates Z: 16 16.239 1.880 0.601 0.911 0.933 0.867 CB 1.058 16 residues pruned to eliminate duplicates Z: 22 26.548 2.003 0.723 0.926 1.000 0.810 CB 1.177 22 residues pruned to eliminate duplicates Z: 25 36.680 2.165 0.885 0.933 1.000 0.667 CB 1.280 25 residues pruned to eliminate duplicates Z: 12 16.793 2.116 0.593 0.895 1.000 0.818 CA 1.077 12 residues pruned to eliminate duplicates Z: 47 31.452 1.892 0.733 0.753 0.935 0.761 CB 1.207 30 residues pruned to eliminate duplicates Z: 8 10.083 1.538 0.709 0.864 1.000 0.714 CA 1.063 Z: 12 25.834 2.008 1.044 0.931 1.000 0.636 CB 1.326 12 residues pruned to eliminate duplicates Z: 10 22.805 1.964 0.925 0.931 1.000 0.889 CA 1.405 10 residues pruned to eliminate duplicates Z: 11 20.891 1.961 0.959 0.881 0.900 0.700 CA 1.383 11 residues pruned to eliminate duplicates Z: 13 20.404 1.944 0.733 0.919 1.000 1.000 CA 1.232 13 residues pruned to eliminate duplicates Z: 11 16.812 1.746 0.577 0.896 1.000 0.900 CA 1.384 9 residues pruned to eliminate duplicates Z: 22 19.846 2.025 0.686 0.484 0.857 0.524 CA 1.504 22 residues pruned to eliminate duplicates Z: 13 24.030 1.970 0.867 0.943 1.000 0.917 CB 1.307 13 residues pruned to eliminate duplicates Z: 10 12.616 1.812 0.423 0.867 1.000 0.889 CA 1.193 10 residues pruned to eliminate duplicates Z: 23 38.637 2.014 1.284 0.939 1.000 0.773 CB 1.244 23 residues pruned to eliminate duplicates Z: 11 12.775 1.729 0.386 0.857 1.000 0.500 CA 1.243 11 residues pruned to eliminate duplicates Z: 18 26.005 1.897 0.958 0.890 1.000 0.647 CB 1.222 18 residues pruned to eliminate duplicates Z: 23 25.985 1.990 0.618 0.930 1.000 0.955 CA 1.203 23 residues pruned to eliminate duplicates Z: 23 33.885 2.046 0.940 0.913 0.955 0.773 CB 1.349 23 residues pruned to eliminate duplicates Z: 11 24.041 2.059 0.846 0.886 1.000 0.800 CB 1.442 11 residues pruned to eliminate duplicates Z: 26 20.445 1.925 0.651 0.567 0.880 0.480 CB 1.370 8 residues pruned to eliminate duplicates Z: 23 35.292 2.041 0.899 0.918 1.000 0.682 CA 1.369 23 residues pruned to eliminate duplicates Z: 6 2.855 1.675 0.373 0.464 0.600 0.400 CA 0.960 Z: 12 20.410 1.828 0.860 0.838 1.000 0.545 CA 1.353 Z: 8 11.302 1.869 0.560 0.869 1.000 0.857 CB 1.070 8 residues pruned to eliminate duplicates Z: 42 19.671 1.889 0.540 0.588 0.854 0.488 CB 1.137 40 residues pruned to eliminate duplicates Z: 12 26.973 2.082 0.983 0.905 1.000 0.727 CB 1.402 12 residues pruned to eliminate duplicates Z: 11 11.500 1.718 0.454 0.881 0.900 0.600 CB 1.171 10 residues pruned to eliminate duplicates Z: 25 23.456 2.057 0.717 0.512 0.875 0.500 CA 1.531 20 residues pruned to eliminate duplicates Z: 31 26.991 2.028 0.568 0.780 0.967 0.567 CB 1.252 24 residues pruned to eliminate duplicates Z: 14 23.528 1.920 1.214 0.843 0.846 0.615 CB 1.351 14 residues pruned to eliminate duplicates Z: 17 20.229 1.831 0.855 0.922 0.938 0.875 CB 1.117 17 residues pruned to eliminate duplicates Z: 12 21.297 1.962 0.946 0.889 0.909 0.455 CB 1.332 12 residues pruned to eliminate duplicates Z: 28 19.168 1.830 0.542 0.730 0.963 0.593 CB 1.104 28 residues pruned to eliminate duplicates Z: 16 18.319 1.859 0.460 0.896 1.000 0.800 CA 1.249 16 residues pruned to eliminate duplicates Z: 17 14.676 1.847 0.890 0.757 0.875 0.375 CB 0.955 11 residues pruned to eliminate duplicates Z: 8 19.866 2.160 1.020 0.881 1.000 0.571 CB 1.246 8 residues pruned to eliminate duplicates Z: 10 11.283 1.707 0.605 0.904 1.000 0.889 CA 0.978 10 residues pruned to eliminate duplicates Z: 8 7.324 1.662 0.533 0.861 0.857 0.714 CB 0.932 Z: 11 11.490 1.692 0.444 0.814 1.000 0.500 CA 1.131 11 residues pruned to eliminate duplicates Z: 11 5.860 1.618 0.399 0.663 0.700 0.600 CA 1.006 11 residues pruned to eliminate duplicates Z: 24 21.124 1.824 0.829 0.637 1.000 0.696 CB 1.161 9 residues pruned to eliminate duplicates Z: 11 14.114 1.701 0.314 0.907 1.000 0.900 CA 1.419 11 residues pruned to eliminate duplicates Z: 12 13.232 1.875 0.401 0.789 0.909 0.545 CB 1.296 12 residues pruned to eliminate duplicates Z: 9 11.243 1.620 0.490 0.793 1.000 0.625 CB 1.274 9 residues pruned to eliminate duplicates Z: 7 13.149 2.037 0.624 0.817 1.000 0.500 CB 1.232 7 residues pruned to eliminate duplicates Z: 23 35.560 2.083 1.089 0.920 0.955 0.773 CB 1.285 23 residues pruned to eliminate duplicates Z: 11 10.457 1.734 0.428 0.537 1.000 0.800 CA 1.288 11 residues pruned to eliminate duplicates Z: 12 20.576 1.933 0.711 0.892 1.000 0.545 CB 1.347 12 residues pruned to eliminate duplicates Z: 15 22.871 1.957 0.758 0.915 1.000 0.714 CB 1.256 16 residues pruned to eliminate duplicates Z: 26 29.032 2.062 0.581 0.874 0.960 0.840 CB 1.350 26 residues pruned to eliminate duplicates Z: 16 17.998 1.887 0.612 0.908 0.867 0.733 CB 1.252 16 residues pruned to eliminate duplicates Z: 11 9.185 1.760 0.592 0.384 1.000 0.600 CB 1.174 Z: 12 23.986 2.051 0.896 0.938 1.000 0.909 CB 1.293 12 residues pruned to eliminate duplicates Z: 10 14.415 1.721 0.721 0.835 1.000 0.778 CA 1.215 10 residues pruned to eliminate duplicates Z: 12 13.734 1.972 0.569 0.749 0.909 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 22 15.584 1.830 0.703 0.372 0.857 0.571 CA 1.460 21 residues pruned to eliminate duplicates Z: 12 14.797 1.604 0.710 0.842 0.909 0.727 C 1.334 11 residues pruned to eliminate duplicates Z: 13 17.358 1.857 0.478 0.897 1.000 0.917 CA 1.307 13 residues pruned to eliminate duplicates Z: 7 6.478 1.439 0.671 0.565 0.833 0.333 CA 1.238 6 residues pruned to eliminate duplicates Z: 26 25.714 1.998 0.670 0.543 0.960 0.480 CB 1.540 26 residues pruned to eliminate duplicates Z: 12 8.956 1.670 0.363 0.441 1.000 0.909 CB 1.262 11 residues pruned to eliminate duplicates Z: 12 14.941 1.837 1.116 0.899 1.000 0.727 CB 0.829 12 residues pruned to eliminate duplicates Z: 11 14.280 1.694 0.582 0.901 1.000 0.900 CB 1.203 11 residues pruned to eliminate duplicates Z: 13 21.970 1.919 0.790 0.899 1.000 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 13 24.597 1.976 0.927 0.923 1.000 0.750 CB 1.310 13 residues pruned to eliminate duplicates Z: 12 9.186 1.860 0.493 0.445 0.818 0.455 CB 1.291 12 residues pruned to eliminate duplicates 7 1.552 1.628 -0.392 0.457 0.667 0.500 CB 1.003 ? Z: 13 8.300 1.608 0.645 0.410 0.917 0.917 CB 1.086 12 residues pruned to eliminate duplicates Z: 26 31.244 2.072 0.603 0.938 1.000 0.880 CB 1.308 26 residues pruned to eliminate duplicates Z: 11 11.050 1.919 0.375 0.584 1.000 0.800 CA 1.222 11 residues pruned to eliminate duplicates Z: 9 9.813 1.792 0.282 0.871 1.000 0.625 CB 1.102 9 residues pruned to eliminate duplicates Z: 14 27.469 1.881 1.151 0.937 1.000 0.769 CB 1.310 14 residues pruned to eliminate duplicates Z: 13 21.116 1.803 0.807 0.916 1.000 0.250 CB 1.322 13 residues pruned to eliminate duplicates Z: 8 11.244 1.690 0.406 0.905 1.000 1.000 CB 1.272 Z: 8 14.560 1.902 0.533 0.794 1.000 0.714 CA 1.458 9 residues pruned to eliminate duplicates Z: 24 32.529 2.074 0.781 0.900 1.000 0.783 CA 1.311 24 residues pruned to eliminate duplicates Z: 10 11.931 1.759 0.794 0.460 1.000 0.556 CA 1.314 Z: 22 32.092 2.060 0.904 0.890 1.000 0.857 CA 1.285 22 residues pruned to eliminate duplicates Z: 12 22.073 2.037 0.787 0.909 1.000 0.909 CA 1.298 12 residues pruned to eliminate duplicates Z: 21 17.162 1.670 0.800 0.574 0.850 0.750 CA 1.398 10 residues pruned to eliminate duplicates Z: 16 21.124 1.917 0.543 0.870 1.000 0.733 CA 1.346 16 residues pruned to eliminate duplicates Z: 12 20.291 1.771 1.091 0.831 1.000 0.818 CA 1.242 Z: 16 17.636 1.767 0.834 0.655 0.867 0.733 CA 1.404 16 residues pruned to eliminate duplicates Z: 21 25.733 1.996 0.672 0.931 1.000 0.700 CB 1.205 21 residues pruned to eliminate duplicates Z: 26 27.608 2.014 0.457 0.912 1.000 0.840 CB 1.333 26 residues pruned to eliminate duplicates Z: 11 14.689 1.701 0.585 0.872 1.000 0.900 CA 1.256 11 residues pruned to eliminate duplicates Z: 10 13.206 1.602 0.831 0.847 1.000 0.889 CA 1.114 10 residues pruned to eliminate duplicates Z: 11 14.824 1.828 0.985 0.739 0.900 0.700 CB 1.159 11 residues pruned to eliminate duplicates Z: 12 30.252 2.157 0.936 0.937 1.000 0.727 CB 1.519 12 residues pruned to eliminate duplicates Z: 10 4.673 1.701 0.468 0.370 0.778 0.444 CB 0.922 5 residues pruned to eliminate duplicates Z: 13 22.921 1.984 0.770 0.930 1.000 1.000 CB 1.318 13 residues pruned to eliminate duplicates Z: 11 26.035 2.110 1.070 0.926 1.000 0.700 CB 1.322 11 residues pruned to eliminate duplicates Z: 25 24.419 2.040 0.724 0.585 0.875 0.667 CB 1.493 25 residues pruned to eliminate duplicates Z: 16 15.962 1.802 0.413 0.912 0.933 0.867 CB 1.228 16 residues pruned to eliminate duplicates Z: 22 12.877 1.801 0.644 0.488 0.857 0.524 CB 1.121 22 residues pruned to eliminate duplicates Z: 12 12.907 1.706 0.670 0.815 0.818 0.545 CB 1.270 12 residues pruned to eliminate duplicates Z: 13 14.111 1.757 0.922 0.557 1.000 0.917 CB 1.141 12 residues pruned to eliminate duplicates Z: 23 25.771 1.979 0.715 0.902 0.955 0.682 CA 1.210 23 residues pruned to eliminate duplicates Z: 10 16.492 1.907 0.546 0.783 1.000 0.667 CB 1.453 10 residues pruned to eliminate duplicates Z: 14 22.861 1.984 0.667 0.901 1.000 1.000 CB 1.368 14 residues pruned to eliminate duplicates Z: 10 13.190 1.712 0.496 0.901 1.000 0.778 CA 1.225 10 residues pruned to eliminate duplicates Z: 16 17.711 1.853 0.590 0.883 0.867 0.667 CB 1.295 16 residues pruned to eliminate duplicates Z: 12 19.124 1.970 0.554 0.869 1.000 0.818 CA 1.376 12 residues pruned to eliminate duplicates Z: 19 22.505 2.069 0.590 0.826 0.944 0.778 CB 1.287 19 residues pruned to eliminate duplicates Z: 19 20.064 2.137 0.839 0.544 0.778 0.556 CA 1.481 19 residues pruned to eliminate duplicates Z: 14 23.580 1.983 0.867 0.906 1.000 0.846 CB 1.257 14 residues pruned to eliminate duplicates Z: 7 10.458 2.160 0.326 0.829 0.833 0.500 CB 1.346 7 residues pruned to eliminate duplicates Z: 26 31.865 2.059 0.852 0.893 0.920 0.680 CB 1.303 26 residues pruned to eliminate duplicates Z: 14 18.535 1.887 0.982 0.841 0.923 0.308 CB 1.110 14 residues pruned to eliminate duplicates Z: 14 26.544 1.993 1.114 0.927 1.000 0.538 CB 1.224 14 residues pruned to eliminate duplicates Z: 10 20.791 1.924 0.928 0.911 1.000 0.889 CB 1.324 10 residues pruned to eliminate duplicates Z: 11 13.487 1.820 0.364 0.902 1.000 1.000 CA 1.225 11 residues pruned to eliminate duplicates Z: 16 25.860 1.991 0.830 0.885 1.000 0.933 CB 1.324 16 residues pruned to eliminate duplicates Z: 11 22.075 1.935 0.996 0.823 1.000 0.800 CB 1.366 11 residues pruned to eliminate duplicates Z: 10 7.951 1.602 0.257 0.895 1.000 0.889 CA 0.943 7 residues pruned to eliminate duplicates Z: 22 14.928 1.919 0.751 0.484 0.857 0.571 CA 1.149 22 residues pruned to eliminate duplicates Z: 16 24.734 2.001 0.704 0.875 1.000 0.800 CB 1.363 16 residues pruned to eliminate duplicates 6 1.903 1.421 0.428 0.300 0.800 0.600 C 0.656 ? Z: 12 22.699 1.971 1.014 0.914 0.909 0.455 CB 1.341 12 residues pruned to eliminate duplicates Z: 10 11.874 1.637 0.484 0.916 1.000 0.889 CB 1.151 Z: 11 17.239 1.729 0.715 0.870 1.000 0.500 CB 1.342 11 residues pruned to eliminate duplicates 7 1.888 1.629 -0.026 0.276 0.667 0.333 CB 0.938 ? Z: 6 3.059 1.665 -0.115 0.444 0.800 0.400 C 1.230 Z: 11 26.413 2.134 1.091 0.926 1.000 0.500 CB 1.312 11 residues pruned to eliminate duplicates Z: 11 7.861 1.854 0.314 0.531 0.800 0.700 CA 1.237 11 residues pruned to eliminate duplicates Z: 10 11.682 1.751 0.307 0.816 1.000 0.778 CA 1.293 10 residues pruned to eliminate duplicates Z: 10 8.558 1.650 0.252 0.920 0.889 0.667 CB 1.095 9 residues pruned to eliminate duplicates Z: 12 21.780 2.023 0.668 0.845 1.000 0.818 CA 1.448 12 residues pruned to eliminate duplicates Z: 24 31.147 2.110 0.681 0.903 0.957 0.739 CB 1.365 24 residues pruned to eliminate duplicates Z: 12 10.225 1.604 0.495 0.786 1.000 0.364 CA 1.000 12 residues pruned to eliminate duplicates Z: 11 16.177 1.798 0.771 0.770 0.900 0.800 CA 1.405 11 residues pruned to eliminate duplicates Z: 19 11.356 1.673 0.171 0.683 1.000 0.778 CB 1.155 16 residues pruned to eliminate duplicates Z: 11 18.009 1.743 0.864 0.833 1.000 0.900 CB 1.315 11 residues pruned to eliminate duplicates Z: 12 22.082 1.989 1.064 0.910 0.909 0.909 CB 1.265 12 residues pruned to eliminate duplicates Z: 11 17.426 1.916 0.621 0.882 1.000 0.900 CA 1.283 11 residues pruned to eliminate duplicates Z: 9 9.867 1.795 0.142 0.904 1.000 0.875 CB 1.212 9 residues pruned to eliminate duplicates Z: 12 8.953 1.607 0.198 0.798 1.000 0.818 CA 1.080 12 residues pruned to eliminate duplicates Z: 17 24.276 1.922 0.980 0.867 1.000 0.750 CB 1.166 17 residues pruned to eliminate duplicates Z: 7 8.897 1.830 0.429 0.864 1.000 0.333 CB 1.018 7 residues pruned to eliminate duplicates Z: 24 18.406 1.899 0.739 0.541 0.870 0.565 CB 1.284 24 residues pruned to eliminate duplicates Z: 50 35.607 1.961 0.983 0.668 0.878 0.429 CB 1.276 49 residues pruned to eliminate duplicates Z: 12 20.824 1.812 1.082 0.814 1.000 0.636 CA 1.266 12 residues pruned to eliminate duplicates Z: 11 22.125 2.063 1.006 0.911 1.000 0.700 CB 1.198 11 residues pruned to eliminate duplicates Z: 6 3.869 1.600 0.692 0.550 0.800 0.600 CB 0.761 6 residues pruned to eliminate duplicates Z: 11 14.830 1.654 0.551 0.893 1.000 0.500 CA 1.312 11 residues pruned to eliminate duplicates Z: 13 24.036 1.849 0.915 0.923 1.000 0.750 CB 1.377 13 residues pruned to eliminate duplicates Z: 6 5.486 1.772 0.464 0.407 1.000 0.800 CA 1.043 Z: 9 12.085 1.800 0.361 0.926 1.000 1.000 CB 1.223 9 residues pruned to eliminate duplicates Z: 11 6.701 1.719 0.389 0.473 0.800 0.700 CB 1.140 12 residues pruned to eliminate duplicates Z: 11 6.626 1.659 0.905 0.401 0.900 0.800 CB 0.818 11 residues pruned to eliminate duplicates Z: 23 25.715 2.003 0.613 0.885 1.000 0.864 CA 1.225 23 residues pruned to eliminate duplicates Z: 26 27.150 2.047 0.724 0.627 0.920 0.640 CA 1.484 26 residues pruned to eliminate duplicates Z: 11 21.420 1.931 0.905 0.814 1.000 0.800 CB 1.402 11 residues pruned to eliminate duplicates Z: 11 16.687 1.845 0.637 0.853 1.000 0.700 CB 1.292 11 residues pruned to eliminate duplicates Z: 8 5.259 1.692 -0.039 0.518 0.857 0.571 CB 1.401 6 residues pruned to eliminate duplicates Z: 10 10.519 1.623 0.540 0.872 1.000 0.778 CB 1.022 10 residues pruned to eliminate duplicates Z: 22 16.500 1.786 0.590 0.541 0.952 0.667 CA 1.279 21 residues pruned to eliminate duplicates Z: 19 27.810 2.191 0.507 0.930 1.000 0.833 CB 1.389 19 residues pruned to eliminate duplicates Z: 12 17.605 1.901 1.116 0.892 0.909 0.545 CB 1.042 12 residues pruned to eliminate duplicates Z: 17 20.546 1.818 0.807 0.840 0.938 0.812 CB 1.245 17 residues pruned to eliminate duplicates Z: 13 16.767 1.899 0.726 0.777 0.917 0.583 CB 1.261 13 residues pruned to eliminate duplicates Z: 15 16.381 1.910 0.533 0.919 0.929 0.643 CB 1.135 15 residues pruned to eliminate duplicates Z: 17 13.609 1.633 0.676 0.589 0.875 0.812 CA 1.305 17 residues pruned to eliminate duplicates Z: 13 17.091 1.891 0.814 0.841 1.000 0.667 CB 1.072 13 residues pruned to eliminate duplicates Z: 20 13.290 1.764 0.599 0.492 0.947 0.421 CB 1.150 20 residues pruned to eliminate duplicates Z: 11 15.937 1.689 0.674 0.877 1.000 0.900 CA 1.295 11 residues pruned to eliminate duplicates Z: 23 38.595 2.036 1.093 0.906 1.000 0.636 CB 1.373 23 residues pruned to eliminate duplicates Z: 50 37.836 1.974 0.898 0.715 0.939 0.592 CB 1.266 45 residues pruned to eliminate duplicates Z: 13 14.381 1.897 0.466 0.848 0.917 0.917 CA 1.207 13 residues pruned to eliminate duplicates Z: 11 16.548 1.975 0.859 0.824 1.000 0.700 CB 1.076 11 residues pruned to eliminate duplicates Z: 12 5.992 1.774 0.659 0.170 0.727 0.455 CB 1.259 7 residues pruned to eliminate duplicates Z: 10 6.375 1.546 0.486 0.467 0.778 0.556 N 1.230 Z: 23 28.464 1.951 0.731 0.908 1.000 0.818 CB 1.277 23 residues pruned to eliminate duplicates Z: 9 5.207 1.960 0.318 0.210 0.750 0.500 CA 1.338 9 residues pruned to eliminate duplicates Z: 18 14.525 1.769 0.810 0.519 0.882 0.529 CB 1.223 18 residues pruned to eliminate duplicates Z: 9 7.481 1.446 0.579 0.794 1.000 0.625 CB 0.895 9 residues pruned to eliminate duplicates Z: 11 10.856 1.623 0.604 0.856 1.000 0.400 CA 0.972 11 residues pruned to eliminate duplicates Z: 11 21.609 1.905 1.007 0.889 1.000 0.800 CA 1.287 11 residues pruned to eliminate duplicates Z: 12 14.833 1.791 0.558 0.809 1.000 0.545 CB 1.225 12 residues pruned to eliminate duplicates Z: 10 7.684 1.525 0.500 0.814 0.778 0.667 CB 1.096 10 residues pruned to eliminate duplicates Z: 9 4.567 1.659 0.442 0.534 0.750 0.750 CB 0.870 9 residues pruned to eliminate duplicates Z: 17 20.243 1.929 0.703 0.873 1.000 0.625 CB 1.122 17 residues pruned to eliminate duplicates Z: 9 11.651 1.753 0.774 0.796 0.875 0.625 CB 1.168 9 residues pruned to eliminate duplicates Z: 23 36.297 1.958 1.176 0.925 1.000 0.545 CB 1.274 23 residues pruned to eliminate duplicates Z: 9 12.552 1.787 0.612 0.892 1.000 0.875 CB 1.107 12 residues pruned to eliminate duplicates Z: 7 2.143 1.446 0.296 0.332 0.667 0.500 CB 0.842 Z: 25 35.178 2.093 0.877 0.914 0.958 0.625 CB 1.350 25 residues pruned to eliminate duplicates Z: 9 11.778 1.782 0.420 0.851 1.000 0.875 CB 1.218 9 residues pruned to eliminate duplicates Z: 10 8.405 1.559 0.376 0.848 0.889 0.778 CA 1.089 9 residues pruned to eliminate duplicates Z: 8 10.111 1.933 0.622 0.752 0.857 0.571 CB 1.135 8 residues pruned to eliminate duplicates Z: 19 21.766 2.070 0.729 0.601 0.944 0.722 CA 1.379 19 residues pruned to eliminate duplicates Z: 46 32.509 1.933 0.580 0.712 0.978 0.711 CB 1.339 46 residues pruned to eliminate duplicates Z: 19 10.460 1.672 0.411 0.555 0.889 0.667 CB 1.114 19 residues pruned to eliminate duplicates Z: 12 18.232 1.951 0.865 0.861 0.909 0.818 CB 1.221 12 residues pruned to eliminate duplicates Z: 6 4.945 1.394 0.976 0.579 1.000 0.800 CA 0.744 6 residues pruned to eliminate duplicates Z: 24 28.324 2.058 0.596 0.908 0.957 0.652 CA 1.335 24 residues pruned to eliminate duplicates Z: 11 13.065 1.783 0.414 0.874 1.000 0.900 CB 1.193 11 residues pruned to eliminate duplicates Z: 19 22.136 2.106 0.287 0.884 1.000 0.722 CB 1.391 19 residues pruned to eliminate duplicates Z: 7 7.456 1.839 0.097 0.830 1.000 0.667 CB 1.135 7 residues pruned to eliminate duplicates Z: 10 8.025 1.593 0.338 0.879 1.000 0.778 CA 0.910 10 residues pruned to eliminate duplicates Z: 6 2.902 1.343 0.589 0.425 0.600 0.600 CB 1.096 Z: 25 34.961 2.109 0.862 0.935 0.958 0.583 CB 1.321 25 residues pruned to eliminate duplicates Z: 23 10.686 1.695 0.681 0.412 0.818 0.364 CB 1.072 23 residues pruned to eliminate duplicates Z: 10 15.845 1.709 0.881 0.901 1.000 0.667 CB 1.173 10 residues pruned to eliminate duplicates Z: 10 10.548 1.711 0.386 0.889 1.000 0.556 CB 1.067 10 residues pruned to eliminate duplicates Z: 13 21.554 1.994 1.053 0.894 0.917 0.250 CB 1.189 13 residues pruned to eliminate duplicates Z: 20 26.904 2.081 0.554 0.927 1.000 1.000 CB 1.337 20 residues pruned to eliminate duplicates Z: 23 19.315 1.955 0.651 0.624 0.909 0.545 CA 1.248 19 residues pruned to eliminate duplicates Z: 10 14.887 1.686 0.642 0.856 1.000 0.889 CA 1.321 9 residues pruned to eliminate duplicates Z: 6 2.357 1.540 0.057 0.294 1.000 0.600 CB 0.816 Z: 14 23.373 1.886 0.973 0.925 0.923 0.846 CB 1.324 14 residues pruned to eliminate duplicates Z: 10 18.082 1.927 0.710 0.763 1.000 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 35 17.821 1.751 0.604 0.556 0.912 0.529 CB 1.130 35 residues pruned to eliminate duplicates Z: 24 23.489 1.907 0.768 0.710 0.913 0.739 CB 1.315 50 residues pruned to eliminate duplicates Z: 13 27.005 1.916 1.256 0.919 1.000 0.583 CB 1.271 13 residues pruned to eliminate duplicates Z: 14 8.091 1.791 0.761 0.356 0.846 0.385 CB 0.983 Z: 14 8.104 1.781 0.265 0.428 1.000 0.615 CB 1.074 14 residues pruned to eliminate duplicates Z: 22 32.964 2.014 1.062 0.938 0.952 0.619 CB 1.264 22 residues pruned to eliminate duplicates Z: 10 4.856 1.679 0.356 0.368 0.778 0.667 CB 1.053 7 residues pruned to eliminate duplicates Z: 6 9.717 1.888 0.380 0.848 1.000 0.800 CB 1.237 6 residues pruned to eliminate duplicates Z: 7 5.535 1.659 0.647 0.766 0.667 0.667 CB 0.980 7 residues pruned to eliminate duplicates Z: 14 12.649 1.848 0.593 0.638 0.846 0.846 CB 1.238 14 residues pruned to eliminate duplicates Z: 22 22.181 1.891 0.907 0.832 0.952 0.619 CB 1.058 22 residues pruned to eliminate duplicates Z: 15 6.498 1.758 0.251 0.316 0.786 0.571 CA 1.231 12 residues pruned to eliminate duplicates Z: 10 15.795 1.770 0.563 0.872 1.000 0.556 CA 1.388 10 residues pruned to eliminate duplicates Z: 16 25.134 2.005 0.756 0.903 1.000 0.667 CB 1.314 16 residues pruned to eliminate duplicates Z: 10 11.131 1.655 0.363 0.907 1.000 0.778 CB 1.169 10 residues pruned to eliminate duplicates Z: 9 4.507 1.524 -0.181 0.819 1.000 0.750 CB 0.968 9 residues pruned to eliminate duplicates Z: 11 26.293 1.981 1.177 0.937 1.000 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 10 13.244 1.753 0.495 0.904 1.000 1.000 CB 1.200 10 residues pruned to eliminate duplicates Z: 7 8.704 1.634 0.526 0.752 1.000 0.667 CB 1.138 7 residues pruned to eliminate duplicates Z: 6 7.679 1.896 0.606 0.706 0.800 0.600 CA 1.169 Z: 9 9.065 1.621 0.446 0.875 0.875 0.750 CB 1.137 9 residues pruned to eliminate duplicates Z: 65 37.401 1.947 0.822 0.688 0.906 0.594 CB 1.224 72 residues pruned to eliminate duplicates Z: 6 5.857 1.613 0.362 0.758 1.000 0.800 CB 0.948 6 residues pruned to eliminate duplicates Z: 9 12.110 1.767 0.464 0.874 1.000 0.750 CB 1.205 9 residues pruned to eliminate duplicates Z: 27 22.196 1.972 0.559 0.618 0.885 0.538 CB 1.432 27 residues pruned to eliminate duplicates Z: 13 5.668 1.713 0.723 0.383 0.667 0.500 CB 0.942 12 residues pruned to eliminate duplicates Z: 11 17.595 1.747 0.905 0.933 1.000 0.400 CB 1.167 11 residues pruned to eliminate duplicates Z: 7 5.316 1.690 0.515 0.746 0.833 0.833 CB 0.817 7 residues pruned to eliminate duplicates Z: 16 14.044 1.834 0.477 0.885 0.933 0.867 CB 1.035 16 residues pruned to eliminate duplicates Z: 6 6.231 1.576 0.461 0.759 1.000 0.800 CB 0.961 Z: 9 12.756 1.664 0.571 0.897 1.000 1.000 CA 1.235 9 residues pruned to eliminate duplicates Z: 14 19.924 1.832 0.641 0.899 1.000 0.923 CB 1.314 14 residues pruned to eliminate duplicates Z: 11 19.925 1.900 0.926 0.857 1.000 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 8 6.044 1.690 0.096 0.886 1.000 0.714 CB 0.890 8 residues pruned to eliminate duplicates Z: 20 9.440 1.786 0.670 0.460 0.789 0.368 CB 0.958 21 residues pruned to eliminate duplicates Z: 53 24.999 1.920 0.597 0.612 0.923 0.635 CB 1.101 53 residues pruned to eliminate duplicates Z: 19 21.342 1.992 0.805 0.651 0.889 0.778 CA 1.367 18 residues pruned to eliminate duplicates Z: 15 20.555 1.906 0.792 0.865 0.929 0.857 CA 1.268 15 residues pruned to eliminate duplicates Z: 7 2.097 1.386 0.058 0.512 0.667 0.500 CB 0.866 Z: 12 9.099 1.682 0.535 0.406 0.909 0.455 CA 1.290 12 residues pruned to eliminate duplicates Z: 26 31.868 2.113 0.641 0.947 0.960 0.720 CB 1.323 26 residues pruned to eliminate duplicates Z: 13 24.232 1.987 0.933 0.921 1.000 0.833 CB 1.281 13 residues pruned to eliminate duplicates Z: 21 29.216 2.017 0.710 0.919 1.000 0.850 CB 1.335 21 residues pruned to eliminate duplicates Z: 9 8.214 1.695 0.377 0.674 0.875 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 8 9.489 1.609 0.592 0.863 0.857 0.429 CB 1.199 8 residues pruned to eliminate duplicates Z: 33 23.420 1.868 0.790 0.667 0.844 0.656 CB 1.257 33 residues pruned to eliminate duplicates Z: 16 24.546 2.085 0.676 0.865 1.000 0.867 CA 1.328 22 residues pruned to eliminate duplicates Z: 9 7.816 1.833 0.940 0.306 0.750 0.750 CB 1.286 9 residues pruned to eliminate duplicates Z: 10 17.757 1.872 0.777 0.880 1.000 0.778 CB 1.289 10 residues pruned to eliminate duplicates Z: 43 25.776 1.868 0.684 0.733 0.929 0.548 CB 1.104 43 residues pruned to eliminate duplicates Z: 10 8.718 1.778 0.822 0.775 0.778 0.778 CA 0.905 10 residues pruned to eliminate duplicates Z: 7 15.061 1.989 0.703 0.859 1.000 1.000 CB 1.336 7 residues pruned to eliminate duplicates Z: 9 9.761 1.474 0.667 0.866 1.000 0.625 CB 1.028 8 residues pruned to eliminate duplicates Z: 24 20.455 1.848 0.967 0.829 0.870 0.652 CB 1.015 24 residues pruned to eliminate duplicates 6 1.986 1.619 0.356 0.319 0.400 0.400 N 1.235 ? Z: 19 17.240 1.849 0.683 0.748 1.000 0.778 CB 1.046 19 residues pruned to eliminate duplicates Z: 7 7.776 1.792 0.366 0.851 1.000 0.667 CB 0.960 7 residues pruned to eliminate duplicates Z: 25 32.535 2.093 0.654 0.914 1.000 0.792 CB 1.357 25 residues pruned to eliminate duplicates Z: 6 5.296 1.597 0.329 0.603 0.800 0.800 CA 1.265 Z: 45 25.251 1.908 0.437 0.746 0.955 0.682 CB 1.168 45 residues pruned to eliminate duplicates Z: 12 23.090 1.983 0.824 0.924 1.000 1.000 CB 1.352 12 residues pruned to eliminate duplicates Z: 9 13.453 1.719 0.764 0.840 1.000 0.750 CB 1.171 9 residues pruned to eliminate duplicates Z: 19 12.575 1.691 0.720 0.601 0.944 0.333 CB 0.980 19 residues pruned to eliminate duplicates Z: 26 21.658 1.917 0.852 0.689 0.920 0.640 CB 1.116 26 residues pruned to eliminate duplicates Z: 7 6.799 1.578 0.607 0.844 0.833 0.833 CB 0.977 7 residues pruned to eliminate duplicates Z: 10 10.835 1.645 0.404 0.871 1.000 0.556 CB 1.141 10 residues pruned to eliminate duplicates Z: 8 3.708 1.763 0.267 0.332 0.714 0.429 CB 1.057 8 residues pruned to eliminate duplicates Z: 11 16.085 2.050 0.464 0.785 0.900 0.800 CA 1.466 11 residues pruned to eliminate duplicates Z: 12 16.393 1.969 0.841 0.654 0.909 0.818 CB 1.300 12 residues pruned to eliminate duplicates Z: 36 22.190 1.938 0.681 0.590 0.943 0.657 CB 1.121 36 residues pruned to eliminate duplicates Z: 8 10.464 1.570 0.596 0.814 1.000 0.571 CB 1.202 8 residues pruned to eliminate duplicates Z: 20 16.119 1.889 0.876 0.486 0.842 0.474 CB 1.256 20 residues pruned to eliminate duplicates Z: 7 14.005 1.816 1.522 0.830 0.833 0.833 CB 1.126 7 residues pruned to eliminate duplicates Z: 23 38.947 2.088 1.163 0.946 1.000 0.682 CB 1.271 25 residues pruned to eliminate duplicates Z: 9 8.209 1.740 0.414 0.523 0.875 0.625 CA 1.318 Z: 7 6.298 1.679 0.302 0.430 1.000 0.833 CA 1.265 7 residues pruned to eliminate duplicates Z: 6 2.727 1.572 0.090 0.601 1.000 0.400 CB 0.646 Z: 9 8.588 1.676 0.349 0.895 1.000 0.875 CB 0.963 9 residues pruned to eliminate duplicates Z: 11 12.247 1.710 0.549 0.874 1.000 0.700 CB 1.064 11 residues pruned to eliminate duplicates Z: 12 22.481 2.113 0.767 0.827 0.909 0.727 CA 1.505 12 residues pruned to eliminate duplicates Z: 13 22.512 2.124 0.656 0.926 1.000 0.500 CB 1.296 13 residues pruned to eliminate duplicates Z: 10 11.045 1.603 0.494 0.875 1.000 0.778 CB 1.118 10 residues pruned to eliminate duplicates Z: 19 18.403 1.832 0.842 0.661 0.944 0.611 CB 1.172 19 residues pruned to eliminate duplicates Z: 12 17.617 2.069 0.545 0.872 1.000 0.727 CA 1.211 12 residues pruned to eliminate duplicates Z: 19 27.647 1.937 0.728 0.867 1.000 0.889 CA 1.424 19 residues pruned to eliminate duplicates Z: 15 11.226 1.905 0.825 0.658 0.786 0.500 CB 0.949 14 residues pruned to eliminate duplicates Z: 11 13.561 1.713 0.488 0.891 1.000 0.700 CB 1.209 11 residues pruned to eliminate duplicates Z: 6 7.731 1.415 0.695 0.798 1.000 0.600 O 1.110 6 residues pruned to eliminate duplicates Z: 8 3.163 1.403 0.519 0.354 0.714 0.571 O 0.919 8 residues pruned to eliminate duplicates Z: 11 5.355 1.583 0.315 0.364 0.800 0.800 CB 1.177 Z: 11 8.736 1.578 0.385 0.706 0.900 0.700 CB 1.165 11 residues pruned to eliminate duplicates Z: 34 30.163 2.006 0.700 0.766 0.909 0.697 CB 1.338 34 residues pruned to eliminate duplicates Z: 11 9.233 1.676 0.332 0.838 0.900 0.500 CB 1.086 11 residues pruned to eliminate duplicates Z: 14 16.942 1.843 0.680 0.838 0.923 0.385 CB 1.229 14 residues pruned to eliminate duplicates Z: 12 7.309 1.632 0.415 0.506 0.909 0.545 CB 1.043 12 residues pruned to eliminate duplicates Z: 43 26.785 1.938 0.853 0.607 0.881 0.548 CB 1.180 43 residues pruned to eliminate duplicates Z: 10 5.335 1.548 0.211 0.849 0.778 0.444 CB 0.904 10 residues pruned to eliminate duplicates Z: 11 19.689 2.052 0.667 0.895 1.000 0.300 CB 1.305 11 residues pruned to eliminate duplicates Z: 13 24.999 2.094 1.121 0.912 1.000 0.583 CA 1.151 13 residues pruned to eliminate duplicates Z: 7 2.988 1.600 0.449 0.086 0.667 0.333 CB 1.345 6 residues pruned to eliminate duplicates Z: 8 9.913 1.620 0.682 0.879 1.000 0.714 CB 0.997 8 residues pruned to eliminate duplicates Z: 9 20.985 1.934 1.126 0.884 1.000 0.375 CA 1.304 9 residues pruned to eliminate duplicates Z: 7 5.305 1.323 0.710 0.627 0.833 0.667 CA 1.019 Z: 10 10.510 1.832 0.885 0.441 0.889 0.556 CA 1.213 Z: 14 26.173 1.888 0.894 0.919 1.000 1.000 CA 1.430 13 residues pruned to eliminate duplicates Z: 9 3.345 1.521 -0.132 0.394 0.750 0.500 N 1.336 Z: 6 2.495 1.407 0.495 0.524 0.800 0.600 CB 0.647 Z: 17 11.507 1.817 0.103 0.878 0.938 0.750 CA 1.111 15 residues pruned to eliminate duplicates Z: 26 24.167 1.971 0.710 0.546 0.920 0.600 CA 1.490 26 residues pruned to eliminate duplicates Z: 11 13.759 1.592 0.542 0.903 1.000 0.700 CB 1.263 9 residues pruned to eliminate duplicates Z: 11 16.032 1.779 0.623 0.886 1.000 0.600 CB 1.267 11 residues pruned to eliminate duplicates Z: 11 13.936 1.821 0.775 0.822 1.000 0.900 CB 1.031 11 residues pruned to eliminate duplicates Z: 10 14.620 1.835 0.644 0.911 0.889 0.778 CB 1.289 11 residues pruned to eliminate duplicates Z: 12 5.251 1.697 0.140 0.332 0.909 0.455 CB 1.083 11 residues pruned to eliminate duplicates Z: 11 9.438 1.638 0.243 0.803 1.000 0.700 CA 1.125 11 residues pruned to eliminate duplicates Z: 12 17.026 1.923 0.769 0.902 0.909 0.727 CB 1.184 12 residues pruned to eliminate duplicates Z: 16 20.365 1.916 0.661 0.892 0.933 0.733 CB 1.272 16 residues pruned to eliminate duplicates Z: 9 10.929 1.851 0.343 0.816 0.875 0.375 CB 1.350 9 residues pruned to eliminate duplicates Z: 23 28.955 2.099 0.681 0.921 1.000 0.455 CB 1.231 23 residues pruned to eliminate duplicates Z: 10 15.471 1.841 0.607 0.885 1.000 0.667 CB 1.259 10 residues pruned to eliminate duplicates 7 1.552 1.234 0.364 0.248 0.667 0.333 CA 0.755 ? Z: 9 10.246 1.539 0.588 0.908 0.875 0.750 CA 1.203 9 residues pruned to eliminate duplicates Z: 12 8.266 1.619 0.472 0.491 0.909 0.727 CB 1.162 12 residues pruned to eliminate duplicates Z: 6 2.568 1.426 0.525 0.297 1.000 0.600 CB 0.663 6 residues pruned to eliminate duplicates Z: 11 12.576 1.548 0.763 0.827 1.000 0.900 CB 1.098 11 residues pruned to eliminate duplicates Z: 15 22.026 1.829 0.863 0.933 1.000 0.929 CA 1.205 16 residues pruned to eliminate duplicates Z: 8 5.522 1.515 0.442 0.816 0.714 0.571 CB 1.016 8 residues pruned to eliminate duplicates Z: 6 2.862 1.560 -0.220 0.632 0.800 0.600 CB 1.162 5 residues pruned to eliminate duplicates Z: 28 21.629 1.933 0.468 0.724 0.889 0.704 CB 1.348 28 residues pruned to eliminate duplicates Z: 19 24.232 2.034 1.116 0.560 0.944 0.833 CB 1.325 31 residues pruned to eliminate duplicates 6 0.753 1.145 0.239 0.294 0.600 0.600 O 0.498 ? Z: 15 25.768 1.966 0.685 0.877 1.000 0.857 CB 1.510 15 residues pruned to eliminate duplicates Z: 12 8.423 1.449 0.500 0.815 1.000 0.818 CB 0.888 20 residues pruned to eliminate duplicates Z: 17 23.237 1.828 0.737 0.910 1.000 0.750 CB 1.297 18 residues pruned to eliminate duplicates Z: 10 12.785 1.986 0.408 0.893 1.000 0.778 CB 1.094 10 residues pruned to eliminate duplicates Z: 11 15.487 1.803 0.611 0.822 1.000 0.900 CA 1.275 11 residues pruned to eliminate duplicates Z: 7 3.693 1.519 0.309 0.572 0.833 0.667 CB 0.849 7 residues pruned to eliminate duplicates Z: 20 14.970 1.704 0.609 0.550 0.947 0.737 CA 1.259 20 residues pruned to eliminate duplicates Z: 6 5.420 1.846 0.335 0.268 1.000 1.000 CB 1.281 Z: 10 5.090 1.555 0.306 0.572 0.778 0.333 CB 1.002 5 residues pruned to eliminate duplicates Z: 10 14.225 1.779 0.483 0.915 1.000 0.778 CB 1.270 10 residues pruned to eliminate duplicates Z: 9 8.672 1.544 0.335 0.846 1.000 0.750 CB 1.105 9 residues pruned to eliminate duplicates Z: 10 24.292 2.101 1.121 0.856 1.000 0.778 CB 1.340 10 residues pruned to eliminate duplicates Z: 6 4.407 1.678 0.563 0.607 0.800 0.600 CB 0.849 Z: 14 13.158 1.856 0.876 0.723 0.923 0.615 CB 0.929 14 residues pruned to eliminate duplicates Z: 8 15.493 1.796 0.946 0.808 1.000 0.714 CB 1.281 8 residues pruned to eliminate duplicates Z: 9 11.234 1.796 0.330 0.891 1.000 0.875 CB 1.195 11 residues pruned to eliminate duplicates Z: 14 24.689 1.842 1.037 0.922 1.000 0.692 CA 1.283 15 residues pruned to eliminate duplicates Z: 11 6.257 1.415 0.929 0.508 0.700 0.500 N 1.027 Z: 12 18.705 1.820 0.748 0.813 1.000 0.818 CB 1.350 12 residues pruned to eliminate duplicates Z: 17 20.040 1.830 0.558 0.900 1.000 0.750 CA 1.256 17 residues pruned to eliminate duplicates Z: 7 2.319 1.261 0.515 0.250 0.833 0.333 CB 0.792 Z: 6 5.096 1.256 0.535 0.668 1.000 0.600 C 1.012 Z: 26 17.970 1.928 0.757 0.536 0.880 0.560 CB 1.164 25 residues pruned to eliminate duplicates Z: 9 11.325 1.817 0.542 0.874 0.875 0.625 CB 1.189 9 residues pruned to eliminate duplicates Z: 24 24.090 2.029 0.779 0.547 0.957 0.478 CB 1.389 33 residues pruned to eliminate duplicates Z: 6 4.526 1.585 0.508 0.337 0.800 0.800 N 1.265 4 residues pruned to eliminate duplicates Z: 13 16.018 1.768 0.724 0.869 1.000 0.583 CB 1.109 13 residues pruned to eliminate duplicates Z: 15 12.015 1.988 0.528 0.580 0.857 0.786 CA 1.141 15 residues pruned to eliminate duplicates 530 residues left after pruning, divided into chains as follows: A: 23 B: 12 C: 24 D: 41 E: 12 F: 19 G: 22 H: 12 I: 10 J: 12 K: 11 L: 47 M: 15 N: 33 O: 7 P: 14 Q: 33 R: 24 S: 91 T: 22 U: 46 CC for partial structure against native data = 38.33 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.389, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.448, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.535, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.542, Connect. = 0.763 for dens.mod. cycle 4 = 0.300, Contrast = 0.552, Connect. = 0.766 for dens.mod. cycle 5 = 0.300, Contrast = 0.557, Connect. = 0.767 for dens.mod. cycle 6 = 0.300, Contrast = 0.562, Connect. = 0.769 for dens.mod. cycle 7 = 0.300, Contrast = 0.566, Connect. = 0.770 for dens.mod. cycle 8 = 0.300, Contrast = 0.569, Connect. = 0.771 for dens.mod. cycle 9 = 0.300, Contrast = 0.571, Connect. = 0.772 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2811 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 657 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 28.956 2.133 0.406 0.937 1.000 0.950 CB 1.503 B: 22 38.533 2.161 0.821 0.947 1.000 0.857 CB 1.476 C: 21 34.849 2.151 0.673 0.941 1.000 0.950 CB 1.503 21 residues pruned to eliminate duplicates D: 21 36.891 2.149 0.868 0.916 0.950 0.800 CB 1.527 21 residues pruned to eliminate duplicates E: 23 32.350 2.170 0.589 0.923 1.000 0.818 CB 1.406 F: 18 15.372 1.997 0.140 0.855 0.941 0.647 CB 1.283 G: 10 22.311 1.955 0.704 0.902 1.000 0.889 CA 1.592 H: 20 28.865 2.183 0.501 0.885 0.947 0.789 CB 1.540 20 residues pruned to eliminate duplicates I: 11 13.907 1.832 0.419 0.849 0.900 0.900 CA 1.394 J: 18 21.922 1.943 0.666 0.873 0.941 0.824 CB 1.271 K: 23 31.960 2.128 0.628 0.905 0.955 0.818 CA 1.467 23 residues pruned to eliminate duplicates L: 23 33.645 2.100 0.733 0.919 1.000 0.818 CA 1.388 23 residues pruned to eliminate duplicates M: 7 13.815 2.395 0.322 0.856 0.833 0.667 CB 1.577 N: 24 34.037 2.011 0.875 0.928 1.000 0.739 CB 1.318 23 residues pruned to eliminate duplicates O: 24 35.185 2.084 0.746 0.922 1.000 0.870 CA 1.418 24 residues pruned to eliminate duplicates P: 23 30.197 2.110 0.610 0.876 0.955 0.727 CB 1.443 23 residues pruned to eliminate duplicates Q: 21 27.493 2.085 0.520 0.891 1.000 0.750 CB 1.395 21 residues pruned to eliminate duplicates R: 18 24.159 1.956 0.604 0.911 1.000 0.882 CB 1.323 S: 12 18.443 1.972 0.740 0.827 1.000 0.636 CB 1.221 T: 21 33.447 2.131 0.619 0.946 1.000 0.850 CB 1.499 21 residues pruned to eliminate duplicates U: 22 20.401 2.066 0.302 0.925 0.905 0.857 CA 1.284 22 residues pruned to eliminate duplicates V: 20 22.111 2.101 0.350 0.888 0.947 0.579 CB 1.360 W: 25 24.903 2.123 0.277 0.898 0.958 0.708 CA 1.399 19 residues pruned to eliminate duplicates X: 11 15.415 1.851 0.427 0.866 0.900 0.800 CB 1.501 11 residues pruned to eliminate duplicates Y: 24 33.596 2.085 0.656 0.910 1.000 0.739 CA 1.440 22 residues pruned to eliminate duplicates Z: 11 22.313 1.957 0.733 0.854 1.000 0.900 CA 1.536 10 residues pruned to eliminate duplicates Z: 12 21.034 2.072 0.502 0.934 1.000 1.000 CB 1.421 12 residues pruned to eliminate duplicates Z: 16 20.405 2.169 0.472 0.896 0.867 0.467 CB 1.364 16 residues pruned to eliminate duplicates Z: 24 24.925 2.110 0.548 0.890 0.870 0.739 CB 1.317 23 residues pruned to eliminate duplicates Z: 10 16.024 1.806 0.576 0.863 1.000 0.778 CB 1.377 10 residues pruned to eliminate duplicates Z: 23 36.029 2.108 0.785 0.939 1.000 0.955 CB 1.419 23 residues pruned to eliminate duplicates Z: 13 20.513 1.912 0.518 0.907 1.000 1.000 CB 1.451 Z: 25 25.946 2.111 0.384 0.892 0.958 0.583 CA 1.359 25 residues pruned to eliminate duplicates Z: 25 33.655 2.005 0.773 0.905 0.958 0.625 CB 1.436 25 residues pruned to eliminate duplicates Z: 23 36.710 2.070 0.943 0.927 1.000 0.773 CA 1.363 23 residues pruned to eliminate duplicates Z: 26 26.423 2.049 0.575 0.900 0.920 0.480 CB 1.271 26 residues pruned to eliminate duplicates Z: 10 10.253 2.017 0.482 0.811 0.889 0.667 CB 0.981 10 residues pruned to eliminate duplicates Z: 21 34.396 2.157 0.652 0.937 1.000 0.850 CB 1.502 21 residues pruned to eliminate duplicates Z: 24 29.625 2.026 0.486 0.908 1.000 0.957 CB 1.457 22 residues pruned to eliminate duplicates Z: 21 36.752 2.129 1.049 0.952 0.950 0.450 CB 1.365 23 residues pruned to eliminate duplicates Z: 23 30.372 2.013 0.858 0.908 0.955 0.773 CA 1.288 23 residues pruned to eliminate duplicates Z: 11 25.116 1.976 0.794 0.899 1.000 0.700 CB 1.601 11 residues pruned to eliminate duplicates Z: 7 13.640 2.225 0.215 0.827 1.000 0.500 CA 1.552 7 residues pruned to eliminate duplicates Z: 22 31.603 2.045 0.767 0.907 1.000 0.762 CB 1.356 22 residues pruned to eliminate duplicates Z: 13 25.356 2.085 0.704 0.933 1.000 0.917 CB 1.438 Z: 21 19.586 2.106 0.418 0.851 0.800 0.700 CB 1.357 21 residues pruned to eliminate duplicates Z: 10 25.239 2.210 0.972 0.892 1.000 0.667 CB 1.387 11 residues pruned to eliminate duplicates Z: 11 13.041 1.754 0.474 0.841 0.900 0.600 CA 1.322 11 residues pruned to eliminate duplicates Z: 17 22.767 2.217 0.574 0.894 0.938 0.750 CB 1.248 17 residues pruned to eliminate duplicates Z: 19 20.565 1.868 0.586 0.823 0.944 0.722 CB 1.310 19 residues pruned to eliminate duplicates Z: 21 12.533 1.856 0.455 0.488 0.800 0.400 CB 1.312 Z: 21 35.947 2.096 0.808 0.920 1.000 0.700 CB 1.493 21 residues pruned to eliminate duplicates Z: 14 18.878 1.944 0.560 0.859 0.923 0.692 CB 1.376 13 residues pruned to eliminate duplicates Z: 12 12.862 1.975 0.298 0.858 1.000 0.818 CA 1.114 Z: 17 22.868 1.975 0.652 0.866 1.000 0.750 CB 1.283 18 residues pruned to eliminate duplicates Z: 8 12.408 2.108 0.395 0.814 0.857 0.571 CB 1.417 Z: 12 14.985 2.100 0.673 0.749 0.909 0.818 CB 1.132 10 residues pruned to eliminate duplicates Z: 20 27.044 2.126 0.372 0.930 1.000 0.947 CA 1.487 20 residues pruned to eliminate duplicates Z: 12 21.407 2.039 0.567 0.898 1.000 0.909 CB 1.445 13 residues pruned to eliminate duplicates Z: 13 22.961 2.038 0.797 0.918 1.000 0.833 CB 1.276 Z: 11 14.588 1.827 0.273 0.871 1.000 0.700 CA 1.447 11 residues pruned to eliminate duplicates Z: 13 20.619 2.068 0.594 0.926 1.000 0.917 CA 1.266 Z: 13 18.843 2.071 0.465 0.912 0.917 0.833 CB 1.385 13 residues pruned to eliminate duplicates Z: 14 19.537 1.902 0.478 0.875 1.000 0.923 CA 1.402 14 residues pruned to eliminate duplicates Z: 22 34.724 2.072 0.841 0.919 1.000 0.714 CB 1.400 22 residues pruned to eliminate duplicates Z: 17 12.747 2.017 0.062 0.853 0.938 0.812 CB 1.173 18 residues pruned to eliminate duplicates Z: 17 18.959 1.999 0.270 0.906 1.000 0.938 CB 1.328 17 residues pruned to eliminate duplicates Z: 18 22.453 1.968 0.544 0.859 1.000 0.765 CB 1.319 18 residues pruned to eliminate duplicates Z: 8 10.158 2.120 0.343 0.841 0.714 0.571 CA 1.408 8 residues pruned to eliminate duplicates Z: 17 26.808 2.076 0.590 0.893 1.000 0.938 CB 1.458 16 residues pruned to eliminate duplicates Z: 26 27.141 2.120 0.430 0.897 1.000 0.760 CA 1.282 26 residues pruned to eliminate duplicates Z: 10 20.109 2.220 0.699 0.891 0.889 0.889 CB 1.437 11 residues pruned to eliminate duplicates Z: 13 21.331 1.993 0.573 0.927 1.000 0.917 CA 1.376 13 residues pruned to eliminate duplicates Z: 52 28.635 1.953 0.551 0.610 0.941 0.608 CB 1.266 26 residues pruned to eliminate duplicates Z: 12 27.390 2.208 0.808 0.883 1.000 1.000 CB 1.496 13 residues pruned to eliminate duplicates Z: 13 12.999 1.807 0.496 0.687 0.917 0.750 CB 1.276 Z: 6 11.027 2.016 0.761 0.832 1.000 0.600 CB 1.043 6 residues pruned to eliminate duplicates Z: 21 31.085 2.103 0.541 0.916 1.000 0.850 CB 1.515 21 residues pruned to eliminate duplicates Z: 22 32.116 2.059 0.872 0.917 0.952 0.524 CB 1.347 22 residues pruned to eliminate duplicates Z: 14 21.058 1.967 0.803 0.891 0.923 0.462 CB 1.283 14 residues pruned to eliminate duplicates Z: 24 11.461 1.588 0.235 0.548 0.913 0.565 CB 1.274 Z: 23 31.962 2.068 0.685 0.918 1.000 0.864 CA 1.379 23 residues pruned to eliminate duplicates Z: 12 15.159 2.044 0.620 0.924 1.000 0.818 CA 0.970 12 residues pruned to eliminate duplicates Z: 23 26.541 2.176 0.609 0.933 0.909 0.818 CB 1.240 23 residues pruned to eliminate duplicates Z: 12 34.582 2.151 1.257 0.922 1.000 1.000 CB 1.510 12 residues pruned to eliminate duplicates Z: 12 29.361 2.156 0.989 0.911 1.000 0.636 CB 1.464 12 residues pruned to eliminate duplicates Z: 25 25.699 2.079 0.429 0.905 0.917 0.750 CA 1.371 25 residues pruned to eliminate duplicates Z: 21 37.370 2.144 0.871 0.943 1.000 0.700 CB 1.443 21 residues pruned to eliminate duplicates Z: 11 23.098 2.155 0.854 0.903 1.000 0.800 CB 1.304 10 residues pruned to eliminate duplicates Z: 23 35.078 2.077 0.867 0.905 1.000 0.636 CB 1.372 23 residues pruned to eliminate duplicates Z: 21 31.905 2.126 0.637 0.913 1.000 0.700 CB 1.451 21 residues pruned to eliminate duplicates Z: 16 22.441 2.024 0.486 0.931 1.000 0.800 CB 1.347 16 residues pruned to eliminate duplicates Z: 24 24.182 1.963 0.540 0.909 0.957 0.913 CA 1.238 24 residues pruned to eliminate duplicates Z: 23 16.224 1.967 0.647 0.451 0.818 0.500 CA 1.373 7 residues pruned to eliminate duplicates Z: 12 22.736 1.992 0.679 0.925 1.000 0.909 CB 1.438 12 residues pruned to eliminate duplicates Z: 23 32.347 2.053 0.670 0.928 1.000 0.864 CA 1.409 23 residues pruned to eliminate duplicates Z: 23 27.715 2.177 0.540 0.933 1.000 0.727 CB 1.230 23 residues pruned to eliminate duplicates Z: 17 27.903 2.211 0.585 0.922 1.000 0.750 CB 1.400 17 residues pruned to eliminate duplicates Z: 6 11.931 2.064 0.681 0.803 1.000 0.600 CB 1.180 6 residues pruned to eliminate duplicates Z: 10 22.241 1.996 0.928 0.893 0.889 0.778 CB 1.556 10 residues pruned to eliminate duplicates Z: 16 23.397 1.964 0.682 0.834 1.000 0.800 CA 1.371 13 residues pruned to eliminate duplicates Z: 17 26.403 2.036 0.901 0.864 0.938 0.812 CB 1.334 17 residues pruned to eliminate duplicates Z: 25 34.447 2.183 0.602 0.922 1.000 0.583 CB 1.413 26 residues pruned to eliminate duplicates Z: 6 8.530 2.161 0.324 0.852 0.800 0.600 CB 1.232 6 residues pruned to eliminate duplicates Z: 24 29.073 2.137 0.537 0.908 1.000 0.870 CB 1.310 24 residues pruned to eliminate duplicates Z: 16 21.754 2.025 0.439 0.871 1.000 0.667 CB 1.405 16 residues pruned to eliminate duplicates Z: 18 24.106 1.891 0.639 0.893 1.000 0.882 CB 1.354 18 residues pruned to eliminate duplicates Z: 11 19.661 1.906 0.635 0.891 1.000 0.600 CB 1.434 11 residues pruned to eliminate duplicates Z: 23 28.813 2.042 0.822 0.867 0.909 0.545 CB 1.329 23 residues pruned to eliminate duplicates Z: 26 23.608 2.106 0.571 0.608 0.840 0.720 CA 1.532 23 residues pruned to eliminate duplicates Z: 21 30.677 2.147 0.550 0.929 1.000 0.800 CB 1.443 21 residues pruned to eliminate duplicates Z: 9 15.697 2.256 0.420 0.879 1.000 1.000 CB 1.256 9 residues pruned to eliminate duplicates Z: 13 5.405 1.638 0.322 0.251 0.833 0.417 CB 1.150 12 residues pruned to eliminate duplicates Z: 19 27.272 2.115 0.683 0.934 1.000 0.944 CA 1.259 19 residues pruned to eliminate duplicates Z: 8 8.647 2.008 0.032 0.818 1.000 0.429 CB 1.196 7 residues pruned to eliminate duplicates Z: 15 21.632 1.918 0.798 0.891 1.000 0.643 CB 1.206 15 residues pruned to eliminate duplicates Z: 23 37.005 2.055 1.025 0.925 1.000 0.682 CB 1.330 23 residues pruned to eliminate duplicates Z: 12 11.268 1.838 0.442 0.431 1.000 0.727 CB 1.377 Z: 6 18.817 2.172 0.832 0.832 1.000 0.800 CA 1.588 7 residues pruned to eliminate duplicates Z: 20 36.709 2.215 0.663 0.949 1.000 0.789 CB 1.578 20 residues pruned to eliminate duplicates Z: 18 18.130 1.941 0.359 0.885 1.000 0.824 CB 1.203 18 residues pruned to eliminate duplicates Z: 12 17.078 2.094 0.233 0.898 1.000 0.727 CB 1.427 12 residues pruned to eliminate duplicates Z: 18 20.668 2.158 0.700 0.555 0.941 0.706 CA 1.376 18 residues pruned to eliminate duplicates Z: 7 6.948 2.126 -0.009 0.529 1.000 0.667 CB 1.309 Z: 9 7.438 1.750 0.533 0.564 0.750 0.500 CB 1.229 Z: 26 28.407 2.074 0.570 0.913 0.920 0.760 CB 1.342 26 residues pruned to eliminate duplicates Z: 13 24.398 2.049 0.855 0.899 0.917 0.833 CB 1.445 13 residues pruned to eliminate duplicates Z: 23 25.135 2.193 0.234 0.894 1.000 0.773 CA 1.421 23 residues pruned to eliminate duplicates Z: 11 13.736 1.690 0.663 0.599 1.000 0.600 CB 1.407 11 residues pruned to eliminate duplicates Z: 22 29.820 2.044 0.606 0.896 1.000 0.762 CB 1.420 22 residues pruned to eliminate duplicates Z: 24 27.301 1.994 0.626 0.803 0.957 0.739 CB 1.408 13 residues pruned to eliminate duplicates Z: 14 26.312 2.070 0.721 0.925 1.000 0.846 CB 1.437 13 residues pruned to eliminate duplicates Z: 8 16.593 1.995 0.681 0.857 1.000 0.714 CB 1.378 Z: 18 21.596 1.928 0.458 0.876 1.000 0.765 CB 1.354 18 residues pruned to eliminate duplicates Z: 17 17.860 1.978 0.510 0.903 0.875 0.688 CB 1.218 17 residues pruned to eliminate duplicates Z: 28 27.208 2.066 0.883 0.690 0.889 0.667 CB 1.273 46 residues pruned to eliminate duplicates Z: 12 14.778 1.800 0.610 0.907 0.818 0.364 CB 1.336 11 residues pruned to eliminate duplicates Z: 14 19.494 1.802 0.976 0.891 0.923 0.769 CA 1.183 14 residues pruned to eliminate duplicates Z: 21 24.362 2.074 0.298 0.943 1.000 0.900 CB 1.403 21 residues pruned to eliminate duplicates Z: 7 7.160 1.881 0.343 0.853 1.000 0.667 CB 0.856 Z: 16 11.793 1.898 0.497 0.392 0.800 0.467 CA 1.501 16 residues pruned to eliminate duplicates Z: 22 25.780 2.182 0.368 0.910 1.000 0.762 CB 1.337 22 residues pruned to eliminate duplicates Z: 25 29.611 2.152 0.537 0.892 0.958 0.458 CB 1.370 25 residues pruned to eliminate duplicates Z: 12 17.967 2.047 0.417 0.907 1.000 0.818 CA 1.327 12 residues pruned to eliminate duplicates Z: 6 8.144 1.762 0.663 0.772 0.800 0.400 CA 1.221 6 residues pruned to eliminate duplicates Z: 13 24.625 2.158 0.914 0.933 1.000 0.750 CB 1.201 13 residues pruned to eliminate duplicates Z: 8 9.059 1.834 0.185 0.862 1.000 0.857 CB 1.156 8 residues pruned to eliminate duplicates Z: 22 29.611 2.170 0.640 0.922 0.952 0.857 CB 1.340 22 residues pruned to eliminate duplicates Z: 11 15.099 1.908 0.445 0.805 1.000 0.800 CA 1.327 9 residues pruned to eliminate duplicates Z: 18 19.929 1.900 0.668 0.876 0.941 0.824 CB 1.177 18 residues pruned to eliminate duplicates Z: 12 25.632 1.900 1.212 0.850 1.000 0.545 CB 1.362 12 residues pruned to eliminate duplicates Z: 26 18.382 2.005 0.551 0.492 0.800 0.520 CB 1.489 21 residues pruned to eliminate duplicates Z: 13 18.593 2.012 0.499 0.900 1.000 0.917 CB 1.272 13 residues pruned to eliminate duplicates Z: 10 16.014 1.788 0.519 0.914 1.000 0.889 CA 1.390 18 residues pruned to eliminate duplicates Z: 22 25.280 2.145 0.408 0.924 0.952 0.667 CB 1.347 22 residues pruned to eliminate duplicates Z: 12 31.678 2.145 1.078 0.932 1.000 0.909 CB 1.497 27 residues pruned to eliminate duplicates Z: 7 12.702 1.999 1.034 0.466 0.833 0.667 CB 1.585 Z: 14 20.695 1.958 0.773 0.890 1.000 0.846 CA 1.189 14 residues pruned to eliminate duplicates Z: 11 13.500 1.913 0.263 0.811 1.000 0.700 CA 1.348 11 residues pruned to eliminate duplicates Z: 16 21.839 1.999 0.731 0.867 1.000 0.600 CB 1.191 16 residues pruned to eliminate duplicates Z: 25 18.106 1.853 0.280 0.778 0.917 0.792 CB 1.330 25 residues pruned to eliminate duplicates Z: 7 4.023 1.527 0.538 0.509 1.000 0.667 CB 0.693 Z: 19 19.697 2.107 0.477 0.562 0.944 0.500 CA 1.488 19 residues pruned to eliminate duplicates Z: 9 8.659 1.844 0.244 0.805 0.875 0.875 CB 1.169 9 residues pruned to eliminate duplicates Z: 10 9.685 1.518 0.342 0.796 1.000 0.667 O 1.222 Z: 8 12.317 1.917 0.471 0.861 1.000 0.714 CA 1.213 7 residues pruned to eliminate duplicates Z: 17 16.003 2.082 0.543 0.579 0.875 0.625 CB 1.319 9 residues pruned to eliminate duplicates Z: 14 18.536 1.843 0.619 0.882 0.923 0.846 CB 1.351 14 residues pruned to eliminate duplicates Z: 12 13.247 1.815 0.406 0.729 0.909 0.727 CA 1.401 12 residues pruned to eliminate duplicates Z: 32 22.924 1.953 0.735 0.669 0.903 0.452 CB 1.151 15 residues pruned to eliminate duplicates Z: 24 28.747 2.110 0.549 0.925 0.957 0.826 CB 1.346 24 residues pruned to eliminate duplicates Z: 27 24.385 2.026 0.809 0.592 0.885 0.692 CB 1.351 27 residues pruned to eliminate duplicates Z: 22 36.004 2.105 1.044 0.934 1.000 0.667 CB 1.274 22 residues pruned to eliminate duplicates Z: 17 20.123 2.014 0.487 0.898 0.938 0.438 CB 1.281 17 residues pruned to eliminate duplicates Z: 13 17.568 1.931 0.386 0.905 0.917 0.917 CB 1.472 13 residues pruned to eliminate duplicates Z: 11 17.562 1.955 0.547 0.851 1.000 0.900 CB 1.360 11 residues pruned to eliminate duplicates Z: 10 9.546 1.835 0.349 0.733 0.778 0.444 CB 1.340 10 residues pruned to eliminate duplicates Z: 12 19.510 2.100 0.452 0.903 1.000 1.000 CB 1.376 12 residues pruned to eliminate duplicates Z: 21 37.834 2.124 0.965 0.921 1.000 0.650 CB 1.426 21 residues pruned to eliminate duplicates Z: 6 7.201 1.851 0.144 0.890 1.000 1.000 CB 1.094 Z: 12 18.650 2.075 0.620 0.905 1.000 0.818 CA 1.191 12 residues pruned to eliminate duplicates Z: 17 30.140 2.088 0.730 0.908 1.000 0.938 CB 1.481 17 residues pruned to eliminate duplicates Z: 14 8.762 1.618 0.378 0.373 1.000 0.769 CB 1.248 14 residues pruned to eliminate duplicates Z: 17 17.535 1.976 0.679 0.569 1.000 0.438 CB 1.236 7 residues pruned to eliminate duplicates Z: 14 22.991 1.937 0.861 0.918 0.923 0.923 CB 1.352 13 residues pruned to eliminate duplicates Z: 11 20.829 1.915 0.838 0.872 0.900 0.600 CB 1.516 11 residues pruned to eliminate duplicates Z: 12 11.840 1.848 0.648 0.427 0.909 0.455 CB 1.390 12 residues pruned to eliminate duplicates Z: 11 26.352 1.957 1.186 0.878 1.000 0.700 CB 1.415 11 residues pruned to eliminate duplicates Z: 13 5.278 1.816 0.264 0.339 0.667 0.583 CB 1.187 13 residues pruned to eliminate duplicates Z: 16 20.245 1.832 0.661 0.660 1.000 0.733 CA 1.482 16 residues pruned to eliminate duplicates Z: 10 18.811 2.231 0.613 0.584 1.000 0.778 CA 1.607 10 residues pruned to eliminate duplicates Z: 9 5.025 2.029 0.311 0.224 0.750 0.625 CB 1.229 Z: 22 29.142 2.176 0.637 0.892 0.952 0.762 CB 1.347 22 residues pruned to eliminate duplicates Z: 11 21.579 1.973 1.103 0.889 0.800 0.500 CA 1.480 11 residues pruned to eliminate duplicates Z: 13 23.594 1.950 0.766 0.906 1.000 0.667 CB 1.407 13 residues pruned to eliminate duplicates Z: 25 27.685 2.117 0.525 0.907 0.917 0.750 CB 1.357 24 residues pruned to eliminate duplicates Z: 11 17.870 1.938 0.433 0.841 1.000 0.700 CB 1.517 11 residues pruned to eliminate duplicates Z: 6 10.039 1.816 0.549 0.841 0.800 0.800 CA 1.487 6 residues pruned to eliminate duplicates Z: 18 12.023 1.874 0.508 0.591 0.824 0.588 CB 1.149 18 residues pruned to eliminate duplicates Z: 12 15.538 1.736 0.574 0.869 1.000 0.727 CB 1.252 10 residues pruned to eliminate duplicates Z: 24 22.784 2.104 0.297 0.891 0.913 0.870 CB 1.371 24 residues pruned to eliminate duplicates Z: 7 7.654 1.766 0.367 0.849 1.000 0.500 CA 0.960 7 residues pruned to eliminate duplicates Z: 23 24.737 2.102 0.566 0.873 0.909 0.909 CB 1.283 23 residues pruned to eliminate duplicates Z: 26 17.912 1.896 0.728 0.495 0.880 0.480 CB 1.250 26 residues pruned to eliminate duplicates Z: 19 10.604 1.714 0.210 0.609 0.944 0.722 CB 1.150 Z: 10 15.135 1.940 0.415 0.852 0.889 0.667 CA 1.529 10 residues pruned to eliminate duplicates Z: 11 17.642 1.847 0.508 0.858 1.000 0.700 CA 1.475 11 residues pruned to eliminate duplicates Z: 7 7.248 1.774 0.384 0.875 1.000 1.000 CB 0.876 7 residues pruned to eliminate duplicates Z: 13 16.331 2.029 0.766 0.918 0.833 0.833 CA 1.113 12 residues pruned to eliminate duplicates Z: 10 13.716 1.718 0.535 0.889 1.000 0.667 CB 1.247 10 residues pruned to eliminate duplicates Z: 10 20.554 1.960 0.687 0.881 1.000 0.667 CB 1.501 10 residues pruned to eliminate duplicates Z: 11 10.288 1.697 0.266 0.816 0.900 0.700 CB 1.278 11 residues pruned to eliminate duplicates Z: 13 17.416 1.885 0.454 0.894 1.000 0.917 CA 1.316 13 residues pruned to eliminate duplicates Z: 14 22.067 1.937 0.668 0.929 1.000 0.846 CB 1.325 14 residues pruned to eliminate duplicates Z: 10 14.622 1.765 0.608 0.907 0.889 0.889 CB 1.373 10 residues pruned to eliminate duplicates Z: 12 15.023 1.948 0.203 0.903 1.000 0.727 CA 1.378 12 residues pruned to eliminate duplicates Z: 25 20.457 2.045 0.702 0.490 0.875 0.500 CB 1.384 25 residues pruned to eliminate duplicates Z: 11 10.942 1.768 0.122 0.868 1.000 0.700 CB 1.275 11 residues pruned to eliminate duplicates Z: 8 9.031 1.657 0.180 0.869 1.000 1.000 CB 1.276 8 residues pruned to eliminate duplicates Z: 20 18.844 2.072 0.613 0.509 0.895 0.579 CA 1.433 20 residues pruned to eliminate duplicates Z: 11 11.286 1.916 0.424 0.821 0.900 0.700 CB 1.100 10 residues pruned to eliminate duplicates Z: 11 14.144 1.794 0.471 0.812 0.900 0.700 CB 1.435 11 residues pruned to eliminate duplicates Z: 12 14.169 1.711 0.451 0.819 1.000 0.636 CA 1.305 12 residues pruned to eliminate duplicates Z: 21 35.383 2.134 0.783 0.939 1.000 0.700 CB 1.445 21 residues pruned to eliminate duplicates Z: 11 12.446 1.811 0.785 0.559 0.900 0.800 CB 1.278 Z: 6 4.321 1.638 -0.213 0.860 1.000 1.000 CB 1.102 6 residues pruned to eliminate duplicates Z: 20 14.560 2.029 0.502 0.438 0.842 0.368 CB 1.387 20 residues pruned to eliminate duplicates Z: 36 20.913 1.871 0.615 0.573 0.943 0.486 CB 1.156 36 residues pruned to eliminate duplicates Z: 25 15.943 2.030 0.561 0.478 0.792 0.458 CB 1.327 25 residues pruned to eliminate duplicates Z: 23 36.283 2.115 1.023 0.913 0.955 0.455 CB 1.341 23 residues pruned to eliminate duplicates Z: 23 33.991 2.105 0.798 0.916 1.000 0.682 CA 1.353 23 residues pruned to eliminate duplicates Z: 9 12.320 1.769 0.426 0.873 1.000 0.875 CB 1.258 8 residues pruned to eliminate duplicates Z: 11 16.150 1.852 0.457 0.872 0.900 0.600 CA 1.533 11 residues pruned to eliminate duplicates Z: 14 23.959 1.914 0.757 0.916 1.000 0.769 CB 1.395 15 residues pruned to eliminate duplicates Z: 11 12.998 1.993 0.348 0.904 0.900 0.600 CB 1.210 11 residues pruned to eliminate duplicates Z: 25 33.230 2.150 0.625 0.921 0.958 0.833 CB 1.425 25 residues pruned to eliminate duplicates Z: 9 6.323 1.834 -0.024 0.846 0.875 0.625 CB 1.060 9 residues pruned to eliminate duplicates Z: 18 12.122 1.802 0.535 0.465 0.882 0.471 CB 1.248 18 residues pruned to eliminate duplicates Z: 21 19.887 2.073 0.670 0.534 0.950 0.600 CA 1.308 21 residues pruned to eliminate duplicates Z: 8 4.507 1.500 -0.108 0.682 1.000 0.571 CB 1.077 Z: 18 22.546 1.954 0.592 0.895 1.000 0.882 CB 1.260 18 residues pruned to eliminate duplicates Z: 11 24.001 2.131 0.890 0.919 1.000 1.000 CB 1.328 11 residues pruned to eliminate duplicates Z: 6 3.606 1.728 -0.180 0.581 1.000 0.600 CB 1.053 Z: 9 17.677 2.127 0.723 0.893 1.000 0.875 CA 1.223 9 residues pruned to eliminate duplicates Z: 13 24.999 2.058 0.882 0.924 1.000 0.500 CB 1.308 13 residues pruned to eliminate duplicates Z: 8 12.733 2.146 0.205 0.880 1.000 1.000 CB 1.349 8 residues pruned to eliminate duplicates Z: 24 29.913 2.140 0.704 0.886 0.957 0.435 CB 1.291 24 residues pruned to eliminate duplicates Z: 7 5.133 1.845 -0.276 0.894 1.000 0.833 CB 1.125 7 residues pruned to eliminate duplicates Z: 11 10.582 1.707 0.203 0.869 0.900 0.700 CA 1.323 11 residues pruned to eliminate duplicates Z: 21 41.627 2.134 1.018 0.952 1.000 0.750 CB 1.489 21 residues pruned to eliminate duplicates Z: 12 14.040 1.649 0.566 0.860 0.909 0.727 CB 1.326 12 residues pruned to eliminate duplicates Z: 10 6.759 1.702 0.544 0.284 0.889 0.444 CB 1.230 10 residues pruned to eliminate duplicates Z: 12 20.168 2.013 0.873 0.899 1.000 0.909 CA 1.153 13 residues pruned to eliminate duplicates Z: 6 5.182 1.688 0.340 0.628 0.800 0.600 CB 1.135 5 residues pruned to eliminate duplicates Z: 11 17.305 1.980 0.473 0.848 1.000 0.800 CB 1.391 Z: 13 9.416 1.858 0.160 0.879 0.917 0.833 CA 0.998 13 residues pruned to eliminate duplicates Z: 11 15.964 1.749 0.464 0.905 1.000 0.800 CA 1.404 10 residues pruned to eliminate duplicates Z: 21 31.218 2.094 0.583 0.942 1.000 0.750 CB 1.461 21 residues pruned to eliminate duplicates Z: 11 13.771 1.772 0.309 0.861 1.000 0.700 CA 1.379 11 residues pruned to eliminate duplicates Z: 12 14.784 1.817 1.126 0.818 0.909 0.273 CB 0.963 12 residues pruned to eliminate duplicates Z: 10 9.917 1.682 0.357 0.881 0.889 0.667 CB 1.180 10 residues pruned to eliminate duplicates Z: 31 21.769 1.898 0.811 0.675 0.933 0.567 CB 1.054 31 residues pruned to eliminate duplicates Z: 8 11.071 1.943 0.648 0.745 1.000 0.571 CA 1.050 8 residues pruned to eliminate duplicates Z: 7 8.870 1.980 0.339 0.765 1.000 0.667 CB 1.080 7 residues pruned to eliminate duplicates Z: 8 7.029 1.906 -0.189 0.887 1.000 0.857 CB 1.239 8 residues pruned to eliminate duplicates Z: 17 24.958 2.074 0.561 0.895 1.000 0.750 CB 1.381 17 residues pruned to eliminate duplicates Z: 9 12.351 1.763 0.632 0.816 1.000 0.750 CA 1.153 9 residues pruned to eliminate duplicates Z: 17 26.110 2.065 0.790 0.862 0.938 0.812 CB 1.383 17 residues pruned to eliminate duplicates Z: 11 12.795 1.786 0.560 0.586 0.900 0.700 CA 1.487 11 residues pruned to eliminate duplicates Z: 21 19.241 2.071 0.481 0.467 0.900 0.450 CB 1.612 21 residues pruned to eliminate duplicates Z: 20 31.039 2.095 0.800 0.921 1.000 0.895 CA 1.329 20 residues pruned to eliminate duplicates Z: 9 20.151 1.988 0.854 0.875 1.000 0.625 CB 1.406 9 residues pruned to eliminate duplicates Z: 12 23.920 2.073 0.824 0.925 1.000 0.727 CA 1.339 12 residues pruned to eliminate duplicates Z: 11 11.058 1.699 0.269 0.855 0.900 0.400 N 1.330 11 residues pruned to eliminate duplicates Z: 9 5.065 1.734 0.211 0.464 0.750 0.625 CB 1.179 9 residues pruned to eliminate duplicates Z: 45 36.308 2.052 0.575 0.752 0.977 0.636 CB 1.384 46 residues pruned to eliminate duplicates Z: 9 4.387 1.695 0.003 0.579 0.750 0.750 CB 1.128 Z: 12 24.288 2.106 0.787 0.927 1.000 0.727 CB 1.364 12 residues pruned to eliminate duplicates Z: 13 8.349 1.714 0.270 0.385 0.917 0.833 CA 1.365 12 residues pruned to eliminate duplicates Z: 8 7.830 1.851 -0.100 0.873 1.000 0.857 CB 1.294 8 residues pruned to eliminate duplicates Z: 10 5.884 1.542 0.747 0.561 0.778 0.556 CA 0.883 9 residues pruned to eliminate duplicates Z: 13 25.366 1.953 0.966 0.862 1.000 0.833 CA 1.401 11 residues pruned to eliminate duplicates Z: 16 22.813 2.049 0.576 0.868 1.000 0.867 CB 1.333 16 residues pruned to eliminate duplicates Z: 23 11.674 1.780 0.728 0.474 0.909 0.636 CB 0.914 21 residues pruned to eliminate duplicates Z: 8 8.167 1.928 0.477 0.769 0.857 0.429 CB 0.997 8 residues pruned to eliminate duplicates Z: 12 16.530 2.032 0.728 0.899 1.000 0.909 CA 1.015 14 residues pruned to eliminate duplicates Z: 20 20.476 2.105 0.690 0.542 0.895 0.579 CA 1.415 20 residues pruned to eliminate duplicates Z: 12 16.590 2.014 0.470 0.749 0.909 0.727 CA 1.488 9 residues pruned to eliminate duplicates Z: 11 14.262 1.752 0.519 0.867 0.900 0.800 CB 1.377 11 residues pruned to eliminate duplicates Z: 13 7.623 1.885 0.444 0.362 0.917 0.583 CB 1.023 7 residues pruned to eliminate duplicates Z: 10 14.136 1.812 0.402 0.913 1.000 0.778 CA 1.312 11 residues pruned to eliminate duplicates Z: 8 15.000 2.130 0.439 0.898 1.000 0.714 CB 1.323 8 residues pruned to eliminate duplicates Z: 13 22.177 1.975 0.488 0.924 1.000 0.917 CA 1.531 13 residues pruned to eliminate duplicates Z: 9 9.659 1.882 -0.010 0.907 1.000 0.875 CB 1.302 9 residues pruned to eliminate duplicates Z: 18 27.319 1.955 0.735 0.920 1.000 0.882 CB 1.376 18 residues pruned to eliminate duplicates Z: 33 30.345 2.082 0.737 0.640 0.969 0.719 CA 1.344 33 residues pruned to eliminate duplicates Z: 10 20.716 1.876 0.779 0.895 1.000 0.444 CB 1.484 10 residues pruned to eliminate duplicates Z: 18 23.721 1.903 0.651 0.902 1.000 0.706 CB 1.306 18 residues pruned to eliminate duplicates Z: 16 10.692 1.949 0.469 0.428 0.800 0.400 CA 1.298 16 residues pruned to eliminate duplicates Z: 24 29.928 2.139 0.655 0.938 1.000 0.696 CB 1.226 23 residues pruned to eliminate duplicates Z: 24 23.457 2.091 0.305 0.914 1.000 0.478 CB 1.267 24 residues pruned to eliminate duplicates Z: 18 22.922 1.983 0.557 0.879 1.000 0.882 CB 1.306 18 residues pruned to eliminate duplicates Z: 15 16.374 1.918 0.772 0.818 0.929 0.643 CB 1.052 15 residues pruned to eliminate duplicates Z: 18 18.782 1.862 0.481 0.829 0.941 0.765 CA 1.321 18 residues pruned to eliminate duplicates Z: 25 30.928 2.139 0.611 0.917 0.958 0.458 CB 1.349 25 residues pruned to eliminate duplicates Z: 21 22.639 1.960 0.789 0.746 0.950 0.750 CB 1.220 12 residues pruned to eliminate duplicates Z: 8 5.965 1.609 0.289 0.877 1.000 0.857 CB 0.790 6 residues pruned to eliminate duplicates Z: 14 18.308 2.019 0.627 0.849 0.923 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 10 17.730 2.027 0.363 0.929 1.000 1.000 CA 1.498 10 residues pruned to eliminate duplicates Z: 24 22.680 2.030 0.575 0.529 0.957 0.522 CB 1.503 24 residues pruned to eliminate duplicates Z: 24 26.583 2.018 0.502 0.900 0.957 0.783 CA 1.366 24 residues pruned to eliminate duplicates Z: 6 14.430 2.085 0.506 0.876 1.000 1.000 CB 1.494 6 residues pruned to eliminate duplicates Z: 10 8.356 1.701 0.218 0.806 1.000 0.556 CA 1.030 9 residues pruned to eliminate duplicates Z: 9 9.178 1.870 -0.007 0.899 1.000 0.875 CB 1.249 9 residues pruned to eliminate duplicates Z: 11 19.084 2.120 0.525 0.880 1.000 0.900 CB 1.352 12 residues pruned to eliminate duplicates Z: 25 30.995 2.135 0.533 0.915 1.000 0.667 CB 1.366 25 residues pruned to eliminate duplicates Z: 11 15.490 1.928 0.207 0.892 1.000 0.900 CB 1.512 11 residues pruned to eliminate duplicates Z: 12 16.774 1.725 0.629 0.896 1.000 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 8 12.929 1.810 0.568 0.879 1.000 0.714 CB 1.249 9 residues pruned to eliminate duplicates Z: 11 17.818 1.784 0.809 0.913 1.000 0.600 CB 1.235 11 residues pruned to eliminate duplicates Z: 11 20.798 1.955 0.615 0.884 1.000 0.900 CA 1.505 11 residues pruned to eliminate duplicates Z: 10 14.161 1.746 0.516 0.868 1.000 0.556 CB 1.304 9 residues pruned to eliminate duplicates Z: 8 9.296 1.820 0.589 0.829 0.857 0.571 CB 1.066 8 residues pruned to eliminate duplicates Z: 22 26.361 2.045 0.368 0.942 1.000 1.000 CA 1.427 22 residues pruned to eliminate duplicates Z: 8 8.460 1.706 0.551 0.902 1.000 1.000 CB 0.862 7 residues pruned to eliminate duplicates Z: 21 24.201 2.178 0.372 0.916 1.000 0.800 CB 1.279 21 residues pruned to eliminate duplicates Z: 21 21.548 2.055 0.146 0.930 1.000 1.000 CB 1.430 21 residues pruned to eliminate duplicates Z: 10 7.974 1.916 0.483 0.352 0.778 0.778 CB 1.412 9 residues pruned to eliminate duplicates Z: 36 30.418 2.051 0.705 0.637 0.943 0.571 CB 1.372 52 residues pruned to eliminate duplicates Z: 9 9.242 1.831 0.222 0.764 1.000 0.625 CB 1.156 9 residues pruned to eliminate duplicates Z: 27 22.160 2.040 0.494 0.583 0.846 0.577 CB 1.557 27 residues pruned to eliminate duplicates Z: 10 10.745 1.765 0.199 0.900 1.000 0.778 CB 1.209 10 residues pruned to eliminate duplicates Z: 9 13.173 1.871 0.396 0.896 1.000 0.750 CB 1.278 9 residues pruned to eliminate duplicates Z: 24 23.155 2.050 0.534 0.877 0.913 0.478 CB 1.221 24 residues pruned to eliminate duplicates Z: 6 5.757 1.727 0.333 0.648 0.800 0.800 N 1.217 6 residues pruned to eliminate duplicates Z: 24 36.661 2.177 0.733 0.930 1.000 0.478 CB 1.417 24 residues pruned to eliminate duplicates Z: 12 12.147 1.809 0.546 0.758 0.818 0.455 CB 1.273 12 residues pruned to eliminate duplicates Z: 12 25.986 2.043 0.944 0.925 1.000 0.818 CA 1.385 Z: 11 11.762 1.692 0.419 0.884 0.900 0.800 CB 1.244 10 residues pruned to eliminate duplicates Z: 16 10.128 1.772 0.164 0.627 0.867 0.667 CB 1.298 16 residues pruned to eliminate duplicates Z: 18 21.231 1.878 0.701 0.855 1.000 0.647 CB 1.190 18 residues pruned to eliminate duplicates Z: 14 20.504 1.876 0.570 0.899 1.000 0.846 CA 1.379 14 residues pruned to eliminate duplicates Z: 12 22.293 2.049 0.890 0.910 0.909 0.636 CB 1.354 12 residues pruned to eliminate duplicates Z: 8 8.371 1.849 0.237 0.492 1.000 0.714 CB 1.394 7 residues pruned to eliminate duplicates Z: 7 5.392 1.545 0.356 0.866 0.833 0.667 CB 0.924 7 residues pruned to eliminate duplicates Z: 7 5.908 1.789 -0.024 0.789 0.833 0.667 CB 1.286 Z: 33 30.763 2.033 0.839 0.663 0.938 0.656 CB 1.334 32 residues pruned to eliminate duplicates Z: 11 15.211 1.926 0.594 0.775 1.000 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 6 2.954 1.696 -0.320 0.739 0.800 0.600 CB 1.156 Z: 12 7.598 1.635 0.248 0.564 0.909 0.636 CB 1.160 12 residues pruned to eliminate duplicates Z: 11 15.990 1.830 0.587 0.875 0.900 0.800 CB 1.407 11 residues pruned to eliminate duplicates Z: 12 8.221 1.729 0.451 0.635 0.909 0.727 CB 0.958 12 residues pruned to eliminate duplicates Z: 9 5.277 1.461 0.077 0.788 1.000 0.875 CB 0.920 9 residues pruned to eliminate duplicates Z: 18 20.901 1.979 0.354 0.861 1.000 1.000 CA 1.390 18 residues pruned to eliminate duplicates Z: 6 3.460 1.395 0.259 0.524 1.000 0.600 CB 0.861 Z: 20 10.802 1.720 0.352 0.589 0.842 0.579 CB 1.163 20 residues pruned to eliminate duplicates Z: 9 8.416 1.694 0.311 0.882 1.000 0.875 CA 0.970 9 residues pruned to eliminate duplicates Z: 9 8.434 1.804 0.633 0.491 1.000 0.750 CB 1.021 9 residues pruned to eliminate duplicates Z: 6 6.514 2.124 0.011 0.788 1.000 0.200 CB 1.053 6 residues pruned to eliminate duplicates Z: 13 9.621 1.690 0.482 0.402 1.000 0.667 CB 1.230 13 residues pruned to eliminate duplicates Z: 7 8.946 1.659 0.541 0.629 1.000 0.667 CB 1.265 Z: 6 6.853 1.618 0.772 0.405 1.000 0.400 C 1.181 8 residues pruned to eliminate duplicates Z: 11 15.218 1.744 0.396 0.911 1.000 0.800 CA 1.400 11 residues pruned to eliminate duplicates Z: 19 16.901 2.073 0.486 0.468 0.889 0.500 CA 1.503 19 residues pruned to eliminate duplicates Z: 13 25.572 1.999 0.699 0.922 1.000 0.917 CA 1.529 13 residues pruned to eliminate duplicates Z: 23 37.318 2.101 0.928 0.938 1.000 0.500 CB 1.365 23 residues pruned to eliminate duplicates Z: 6 12.643 2.317 0.469 0.876 0.800 0.600 CB 1.509 6 residues pruned to eliminate duplicates 6 1.667 1.615 -0.182 0.524 0.800 0.600 CB 0.689 ? Z: 13 14.785 1.767 0.423 0.903 1.000 0.917 CA 1.210 13 residues pruned to eliminate duplicates Z: 18 26.629 1.953 0.685 0.888 1.000 0.471 CB 1.414 18 residues pruned to eliminate duplicates Z: 12 26.032 1.963 0.970 0.882 1.000 0.545 CA 1.469 12 residues pruned to eliminate duplicates Z: 13 19.328 1.967 0.835 0.810 0.917 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 18 23.690 1.940 0.565 0.893 1.000 0.588 CB 1.359 18 residues pruned to eliminate duplicates Z: 18 23.659 1.953 0.791 0.889 1.000 0.706 CB 1.181 18 residues pruned to eliminate duplicates Z: 15 17.176 1.906 0.494 0.888 1.000 0.857 CA 1.161 15 residues pruned to eliminate duplicates Z: 11 15.342 1.813 0.414 0.878 1.000 0.900 CA 1.373 11 residues pruned to eliminate duplicates Z: 18 7.735 1.692 0.686 0.373 0.824 0.353 CB 0.915 18 residues pruned to eliminate duplicates Z: 30 16.737 1.883 0.538 0.425 0.862 0.621 CB 1.346 30 residues pruned to eliminate duplicates Z: 11 12.069 1.745 0.311 0.879 1.000 0.700 CB 1.209 11 residues pruned to eliminate duplicates Z: 7 8.296 1.642 0.142 0.886 1.000 0.833 CB 1.303 7 residues pruned to eliminate duplicates Z: 9 4.835 1.546 -0.091 0.618 0.875 0.500 CB 1.244 8 residues pruned to eliminate duplicates Z: 11 16.366 1.742 0.528 0.899 1.000 0.900 CA 1.390 11 residues pruned to eliminate duplicates Z: 7 2.798 1.420 0.171 0.348 0.667 0.333 O 1.215 7 residues pruned to eliminate duplicates Z: 12 16.746 2.122 0.383 0.915 0.909 0.727 CB 1.337 12 residues pruned to eliminate duplicates Z: 8 3.050 1.531 -0.038 0.524 0.714 0.571 CB 1.070 8 residues pruned to eliminate duplicates Z: 12 15.598 1.831 0.980 0.774 0.818 0.636 CA 1.244 12 residues pruned to eliminate duplicates Z: 7 3.199 1.674 0.209 0.364 0.667 0.167 CA 1.120 4 residues pruned to eliminate duplicates Z: 16 22.930 2.095 0.580 0.866 0.933 0.800 CB 1.404 16 residues pruned to eliminate duplicates Z: 17 16.459 1.853 0.460 0.841 1.000 0.625 CB 1.134 17 residues pruned to eliminate duplicates Z: 13 4.292 1.510 0.126 0.435 0.750 0.750 CB 1.039 13 residues pruned to eliminate duplicates Z: 18 20.870 1.916 0.542 0.858 1.000 0.706 CB 1.261 18 residues pruned to eliminate duplicates Z: 10 16.626 1.977 0.595 0.822 0.889 0.556 CA 1.496 10 residues pruned to eliminate duplicates Z: 9 9.529 1.426 0.374 0.911 1.000 0.875 CB 1.219 8 residues pruned to eliminate duplicates Z: 9 10.081 1.682 0.533 0.513 1.000 0.750 CB 1.365 9 residues pruned to eliminate duplicates Z: 25 30.478 2.127 0.550 0.927 1.000 0.375 CB 1.322 25 residues pruned to eliminate duplicates Z: 7 3.239 1.639 0.413 0.830 1.000 0.833 CB 0.429 7 residues pruned to eliminate duplicates Z: 9 11.686 1.899 0.508 0.751 0.875 0.625 CB 1.319 9 residues pruned to eliminate duplicates Z: 13 22.011 2.077 0.611 0.894 0.917 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 18 27.312 1.961 0.774 0.900 1.000 0.824 CB 1.360 18 residues pruned to eliminate duplicates Z: 9 6.514 2.019 0.309 0.291 0.750 0.625 CB 1.469 8 residues pruned to eliminate duplicates Z: 18 15.787 1.874 0.651 0.674 0.882 0.706 CA 1.195 18 residues pruned to eliminate duplicates Z: 11 7.875 1.811 0.293 0.368 1.000 0.400 CA 1.225 11 residues pruned to eliminate duplicates Z: 25 27.778 2.098 0.528 0.895 0.958 0.792 CA 1.322 25 residues pruned to eliminate duplicates Z: 19 8.940 1.721 0.264 0.608 0.833 0.722 CB 1.050 19 residues pruned to eliminate duplicates Z: 17 15.895 2.035 0.191 0.873 1.000 0.750 CB 1.194 17 residues pruned to eliminate duplicates Z: 12 25.000 2.215 0.956 0.878 0.909 0.273 CB 1.389 12 residues pruned to eliminate duplicates Z: 38 30.489 2.033 0.762 0.697 0.919 0.486 CB 1.273 37 residues pruned to eliminate duplicates Z: 13 22.531 1.944 0.576 0.893 1.000 0.917 CA 1.523 13 residues pruned to eliminate duplicates Z: 25 24.395 1.972 0.624 0.679 0.917 0.750 CB 1.439 24 residues pruned to eliminate duplicates Z: 12 4.203 1.522 0.169 0.301 0.909 0.455 CB 0.978 Z: 7 4.347 1.620 0.408 0.663 0.833 0.833 CB 0.803 7 residues pruned to eliminate duplicates Z: 23 25.503 2.147 0.415 0.907 1.000 0.773 CB 1.272 23 residues pruned to eliminate duplicates Z: 15 17.145 2.047 0.662 0.593 0.857 0.714 CA 1.438 15 residues pruned to eliminate duplicates Z: 8 2.438 1.481 0.007 0.212 0.714 0.571 CB 1.216 8 residues pruned to eliminate duplicates Z: 13 11.518 2.088 0.481 0.392 0.833 0.417 CA 1.447 13 residues pruned to eliminate duplicates Z: 13 21.621 1.963 0.637 0.814 1.000 0.667 CB 1.478 17 residues pruned to eliminate duplicates Z: 11 20.386 2.149 0.781 0.912 0.900 0.700 CA 1.326 11 residues pruned to eliminate duplicates Z: 23 30.877 2.056 0.821 0.925 1.000 0.636 CB 1.234 23 residues pruned to eliminate duplicates Z: 10 6.934 1.592 0.237 0.849 1.000 0.667 CA 0.870 9 residues pruned to eliminate duplicates Z: 22 11.115 1.787 0.361 0.518 0.952 0.619 CB 1.028 20 residues pruned to eliminate duplicates Z: 7 10.471 2.013 0.375 0.849 1.000 1.000 CA 1.145 7 residues pruned to eliminate duplicates Z: 6 2.196 1.407 0.237 0.300 0.800 0.600 CB 0.882 Z: 13 2.615 1.551 0.190 0.204 0.833 0.250 CB 0.697 Z: 25 22.425 2.001 0.449 0.901 0.958 0.875 CA 1.176 25 residues pruned to eliminate duplicates Z: 9 12.565 1.888 0.289 0.880 1.000 0.625 CB 1.322 9 residues pruned to eliminate duplicates Z: 13 23.474 1.947 0.919 0.920 1.000 0.917 CB 1.277 13 residues pruned to eliminate duplicates Z: 10 11.374 1.846 0.536 0.905 0.889 0.333 CB 1.071 10 residues pruned to eliminate duplicates Z: 7 15.845 2.303 0.515 0.887 1.000 0.833 CA 1.338 7 residues pruned to eliminate duplicates Z: 18 25.703 2.029 0.734 0.880 0.941 0.647 CB 1.365 18 residues pruned to eliminate duplicates Z: 6 2.324 1.508 0.019 0.299 0.800 0.800 CB 1.059 Z: 10 14.821 1.792 0.677 0.852 1.000 0.667 CB 1.216 11 residues pruned to eliminate duplicates Z: 24 6.522 1.705 0.251 0.261 0.783 0.348 CB 1.071 24 residues pruned to eliminate duplicates Z: 19 24.144 2.125 0.517 0.918 0.944 0.667 CB 1.319 19 residues pruned to eliminate duplicates Z: 12 15.034 1.864 0.664 0.809 0.909 0.455 CB 1.228 12 residues pruned to eliminate duplicates Z: 7 3.096 1.898 0.140 0.824 0.833 0.667 CB 0.530 7 residues pruned to eliminate duplicates Z: 8 6.106 1.716 0.366 0.825 0.714 0.714 CB 1.040 8 residues pruned to eliminate duplicates Z: 25 8.085 1.680 0.478 0.336 0.792 0.583 CB 1.005 25 residues pruned to eliminate duplicates Z: 16 19.014 1.939 0.472 0.861 1.000 0.867 CB 1.264 16 residues pruned to eliminate duplicates Z: 7 2.774 1.568 0.369 0.388 0.667 0.500 CB 0.891 Z: 10 8.671 1.617 0.442 0.851 1.000 0.667 CB 0.917 10 residues pruned to eliminate duplicates Z: 11 8.182 1.708 0.006 0.821 0.900 0.600 CA 1.266 11 residues pruned to eliminate duplicates Z: 8 9.914 1.640 0.636 0.847 1.000 0.714 CB 1.037 8 residues pruned to eliminate duplicates Z: 7 3.496 1.296 0.358 0.683 1.000 0.667 CB 0.685 Z: 14 21.536 1.774 0.708 0.834 1.000 0.692 CA 1.478 14 residues pruned to eliminate duplicates Z: 11 5.884 1.935 0.044 0.435 0.800 0.500 CA 1.232 11 residues pruned to eliminate duplicates Z: 8 4.355 1.604 0.214 0.522 0.714 0.714 CB 1.158 8 residues pruned to eliminate duplicates Z: 9 10.579 1.687 0.497 0.824 1.000 0.750 CB 1.119 9 residues pruned to eliminate duplicates Z: 11 12.279 1.756 0.597 0.794 0.800 0.300 CB 1.337 11 residues pruned to eliminate duplicates 6 0.868 1.439 0.255 0.486 0.800 0.400 CB 0.272 ? Z: 6 4.273 1.493 0.561 0.459 0.800 0.200 CB 1.069 Z: 11 11.991 1.800 0.371 0.867 0.900 0.800 CB 1.248 11 residues pruned to eliminate duplicates Z: 23 25.774 2.131 0.555 0.885 0.955 0.682 CB 1.254 23 residues pruned to eliminate duplicates Z: 26 24.692 1.970 0.688 0.756 0.920 0.680 CB 1.285 26 residues pruned to eliminate duplicates Z: 10 5.340 1.660 0.352 0.332 0.889 0.667 CB 1.073 10 residues pruned to eliminate duplicates Z: 20 11.753 1.767 0.164 0.608 0.947 0.684 CB 1.250 20 residues pruned to eliminate duplicates Z: 10 10.544 1.498 0.352 0.838 1.000 0.778 CB 1.297 10 residues pruned to eliminate duplicates Z: 8 12.998 1.985 0.431 0.865 1.000 0.714 CA 1.267 8 residues pruned to eliminate duplicates Z: 8 2.841 1.544 0.615 0.112 0.714 0.286 CB 0.986 Z: 6 4.509 1.379 0.111 0.643 1.000 0.400 CB 1.151 5 residues pruned to eliminate duplicates 6 1.738 1.556 -0.244 0.277 1.000 0.400 N 0.849 ? Z: 7 13.802 1.893 0.740 0.794 1.000 0.333 CB 1.322 7 residues pruned to eliminate duplicates Z: 15 13.159 1.736 0.578 0.664 0.929 0.857 CA 1.188 15 residues pruned to eliminate duplicates Z: 7 4.999 1.880 0.005 0.837 1.000 0.667 CB 0.808 7 residues pruned to eliminate duplicates Z: 23 38.286 2.040 1.075 0.944 1.000 0.318 CB 1.336 23 residues pruned to eliminate duplicates Z: 11 5.823 1.751 -0.008 0.557 0.700 0.700 CB 1.433 12 residues pruned to eliminate duplicates Z: 6 5.201 1.697 0.190 0.421 1.000 0.600 N 1.250 6 residues pruned to eliminate duplicates Z: 22 16.895 1.963 0.501 0.639 0.857 0.524 CB 1.281 22 residues pruned to eliminate duplicates Z: 11 14.712 1.976 0.330 0.876 1.000 0.900 CB 1.287 11 residues pruned to eliminate duplicates Z: 12 18.400 2.056 0.738 0.934 1.000 1.000 CA 1.083 12 residues pruned to eliminate duplicates Z: 24 22.203 2.045 0.661 0.507 0.957 0.435 CB 1.415 26 residues pruned to eliminate duplicates Z: 10 5.943 1.962 0.055 0.451 0.889 0.556 CB 1.131 10 residues pruned to eliminate duplicates Z: 18 16.997 1.685 0.534 0.695 1.000 0.824 CA 1.335 18 residues pruned to eliminate duplicates Z: 6 3.017 1.528 0.823 0.591 0.600 0.600 CB 0.740 Z: 12 22.218 1.931 0.951 0.897 1.000 0.455 CB 1.274 12 residues pruned to eliminate duplicates Z: 12 20.462 2.072 0.753 0.919 0.909 0.727 CB 1.317 12 residues pruned to eliminate duplicates Z: 6 3.375 1.744 0.905 0.364 0.600 0.600 CA 0.876 Z: 10 14.273 1.943 0.763 0.651 0.889 0.778 CB 1.358 10 residues pruned to eliminate duplicates Z: 11 14.363 1.893 0.575 0.769 0.900 0.700 CA 1.334 11 residues pruned to eliminate duplicates Z: 11 22.596 1.951 0.944 0.892 1.000 0.700 CB 1.354 11 residues pruned to eliminate duplicates Z: 23 26.645 2.130 0.380 0.920 1.000 0.591 CB 1.361 23 residues pruned to eliminate duplicates Z: 17 13.786 1.816 0.668 0.574 1.000 0.688 CB 1.060 19 residues pruned to eliminate duplicates Z: 22 33.314 2.077 0.921 0.918 0.952 0.429 CB 1.349 22 residues pruned to eliminate duplicates Z: 10 10.324 1.945 0.251 0.820 0.889 0.222 CA 1.205 10 residues pruned to eliminate duplicates 7 1.683 1.464 0.016 0.272 0.667 0.333 N 0.898 ? Z: 11 14.880 1.827 0.795 0.764 1.000 0.600 CB 1.135 11 residues pruned to eliminate duplicates Z: 11 19.584 1.945 0.815 0.908 1.000 0.700 CA 1.245 11 residues pruned to eliminate duplicates Z: 7 2.417 1.261 0.248 0.399 1.000 0.667 CB 0.697 Z: 13 6.899 1.538 0.389 0.780 0.750 0.417 CB 0.971 13 residues pruned to eliminate duplicates Z: 11 18.849 1.993 0.750 0.699 1.000 0.500 CB 1.425 11 residues pruned to eliminate duplicates Z: 40 20.035 1.820 0.601 0.558 0.872 0.538 CB 1.194 40 residues pruned to eliminate duplicates 7 1.911 1.478 -0.086 0.363 0.833 0.500 N 0.804 ? Using tripeptides from previous cycle as seeds Z: 18 34.075 2.261 0.513 0.930 1.000 0.882 CB 1.690 18 residues pruned to eliminate duplicates Z: 23 33.756 2.126 0.800 0.770 0.955 0.727 CB 1.552 20 residues pruned to eliminate duplicates Z: 20 36.770 2.229 0.710 0.943 1.000 0.842 CB 1.534 20 residues pruned to eliminate duplicates Z: 24 27.373 2.116 0.605 0.755 0.913 0.609 CB 1.468 24 residues pruned to eliminate duplicates Z: 23 30.982 2.156 0.775 0.778 0.864 0.591 CB 1.563 23 residues pruned to eliminate duplicates Z: 22 34.728 2.149 0.874 0.808 0.952 0.667 CB 1.510 22 residues pruned to eliminate duplicates Z: 47 44.228 2.107 0.722 0.763 0.978 0.696 CB 1.455 52 residues pruned to eliminate duplicates Z: 20 40.221 2.217 0.816 0.929 1.000 0.789 CB 1.603 20 residues pruned to eliminate duplicates Z: 23 32.785 2.118 0.866 0.779 0.909 0.682 CB 1.520 23 residues pruned to eliminate duplicates Z: 22 36.432 2.130 0.965 0.796 0.952 0.619 CB 1.538 22 residues pruned to eliminate duplicates Z: 22 35.056 2.116 0.989 0.801 0.905 0.619 CB 1.544 22 residues pruned to eliminate duplicates Z: 23 33.683 2.060 1.050 0.779 0.909 0.591 CB 1.462 23 residues pruned to eliminate duplicates Z: 22 36.221 2.162 1.036 0.748 0.905 0.524 CB 1.590 24 residues pruned to eliminate duplicates Z: 21 38.058 2.153 0.967 0.931 0.950 0.650 CB 1.478 19 residues pruned to eliminate duplicates Z: 19 39.218 2.214 1.060 0.957 0.944 0.667 CB 1.473 20 residues pruned to eliminate duplicates Z: 21 36.397 2.148 0.966 0.936 0.950 0.550 CB 1.413 20 residues pruned to eliminate duplicates Z: 21 41.174 2.143 1.079 0.951 1.000 0.500 CB 1.423 21 residues pruned to eliminate duplicates Z: 22 38.935 2.139 0.996 0.944 1.000 0.667 CB 1.379 21 residues pruned to eliminate duplicates Z: 23 41.221 2.105 1.075 0.946 1.000 0.682 CB 1.392 22 residues pruned to eliminate duplicates Z: 23 37.835 2.111 1.137 0.937 0.955 0.591 CB 1.303 23 residues pruned to eliminate duplicates Z: 13 13.465 1.817 0.362 0.665 1.000 0.500 CA 1.348 12 residues pruned to eliminate duplicates Z: 12 17.180 1.870 0.592 0.809 1.000 0.545 CB 1.329 12 residues pruned to eliminate duplicates Z: 12 18.328 1.795 0.784 0.835 1.000 0.455 CB 1.294 13 residues pruned to eliminate duplicates Z: 12 19.241 1.847 0.693 0.824 1.000 0.455 CA 1.401 12 residues pruned to eliminate duplicates Z: 9 14.927 1.934 0.875 0.870 0.875 0.375 CB 1.214 9 residues pruned to eliminate duplicates Z: 14 11.918 1.742 0.455 0.603 1.000 0.769 CB 1.182 14 residues pruned to eliminate duplicates Z: 13 13.869 1.846 0.531 0.656 1.000 0.417 CA 1.226 13 residues pruned to eliminate duplicates Z: 13 12.056 1.757 0.435 0.579 1.000 0.667 CB 1.278 13 residues pruned to eliminate duplicates Z: 20 11.068 1.661 0.650 0.432 0.842 0.474 CB 1.181 20 residues pruned to eliminate duplicates Z: 17 11.108 1.709 0.562 0.543 0.875 0.438 CB 1.140 17 residues pruned to eliminate duplicates Z: 25 28.644 2.131 0.734 0.597 0.917 0.500 CA 1.573 25 residues pruned to eliminate duplicates Z: 29 20.664 2.014 0.684 0.509 0.750 0.429 CA 1.523 29 residues pruned to eliminate duplicates Z: 20 18.350 2.057 0.564 0.533 0.842 0.421 CA 1.504 20 residues pruned to eliminate duplicates Z: 31 27.874 1.982 0.805 0.643 0.933 0.733 CA 1.333 31 residues pruned to eliminate duplicates Z: 27 23.611 2.082 0.597 0.525 0.846 0.423 CB 1.605 27 residues pruned to eliminate duplicates Z: 13 12.409 1.834 0.681 0.455 0.917 0.750 CB 1.328 13 residues pruned to eliminate duplicates Z: 32 26.105 1.963 0.759 0.555 0.839 0.548 CA 1.535 32 residues pruned to eliminate duplicates Z: 25 24.679 2.149 0.676 0.562 0.833 0.500 CA 1.580 25 residues pruned to eliminate duplicates Z: 19 22.162 2.150 0.735 0.525 0.889 0.556 CA 1.537 19 residues pruned to eliminate duplicates Z: 20 18.434 2.114 0.721 0.495 0.789 0.316 CA 1.480 20 residues pruned to eliminate duplicates Z: 47 28.286 2.025 0.477 0.529 0.935 0.435 CB 1.450 61 residues pruned to eliminate duplicates Z: 9 11.850 2.090 0.576 0.772 0.875 0.500 CA 1.143 9 residues pruned to eliminate duplicates Z: 19 20.172 2.136 0.766 0.515 0.778 0.500 CA 1.597 19 residues pruned to eliminate duplicates Z: 22 17.484 2.080 0.725 0.411 0.857 0.429 CB 1.361 22 residues pruned to eliminate duplicates Z: 26 24.457 2.143 0.536 0.570 0.880 0.520 CA 1.578 26 residues pruned to eliminate duplicates Z: 19 21.665 2.205 0.642 0.501 0.833 0.500 CA 1.692 19 residues pruned to eliminate duplicates Z: 21 19.996 2.092 0.569 0.482 0.900 0.550 CA 1.541 21 residues pruned to eliminate duplicates Z: 39 28.691 2.042 0.561 0.541 0.921 0.553 CA 1.524 39 residues pruned to eliminate duplicates Z: 20 20.605 2.049 0.536 0.546 0.947 0.421 CA 1.516 20 residues pruned to eliminate duplicates Z: 25 19.737 2.059 0.593 0.450 0.875 0.250 CA 1.477 25 residues pruned to eliminate duplicates Z: 20 21.231 2.130 0.537 0.511 1.000 0.526 CA 1.471 20 residues pruned to eliminate duplicates Z: 19 25.445 2.083 0.902 0.550 0.944 0.611 CA 1.526 19 residues pruned to eliminate duplicates Z: 20 14.817 1.752 0.417 0.638 0.947 0.632 CB 1.269 20 residues pruned to eliminate duplicates Z: 22 8.714 1.637 0.262 0.516 0.857 0.524 CB 1.057 22 residues pruned to eliminate duplicates Z: 19 14.489 1.809 0.455 0.632 0.944 0.778 CB 1.214 33 residues pruned to eliminate duplicates Z: 11 9.081 1.634 0.273 0.769 0.900 0.500 CB 1.208 11 residues pruned to eliminate duplicates Z: 17 8.819 1.752 0.192 0.512 0.938 0.625 CB 1.113 17 residues pruned to eliminate duplicates Z: 13 6.850 1.756 0.162 0.597 0.750 0.417 CB 1.178 13 residues pruned to eliminate duplicates Z: 38 23.840 1.956 0.379 0.745 0.946 0.622 CB 1.234 38 residues pruned to eliminate duplicates Z: 20 10.141 1.759 0.047 0.605 0.947 0.632 CB 1.207 20 residues pruned to eliminate duplicates Z: 15 10.029 1.836 0.147 0.559 0.929 0.571 CB 1.294 15 residues pruned to eliminate duplicates Z: 19 11.463 1.790 0.174 0.630 0.889 0.722 CB 1.279 19 residues pruned to eliminate duplicates Z: 23 13.893 1.705 0.412 0.540 0.955 0.591 CB 1.239 23 residues pruned to eliminate duplicates Z: 21 12.944 1.717 0.397 0.596 0.950 0.700 CB 1.159 21 residues pruned to eliminate duplicates Z: 19 12.574 1.801 0.268 0.617 0.944 0.722 CB 1.230 19 residues pruned to eliminate duplicates Z: 20 11.915 1.710 0.219 0.626 1.000 0.632 CB 1.164 20 residues pruned to eliminate duplicates Z: 18 11.826 1.800 0.137 0.648 0.941 0.647 CB 1.297 18 residues pruned to eliminate duplicates Z: 16 10.680 1.767 0.362 0.645 0.933 0.600 CB 1.073 16 residues pruned to eliminate duplicates Z: 19 9.357 1.711 0.124 0.548 0.944 0.611 CB 1.159 19 residues pruned to eliminate duplicates Z: 38 23.976 1.984 0.441 0.695 0.946 0.595 CB 1.220 38 residues pruned to eliminate duplicates Z: 46 23.984 1.960 0.368 0.626 0.933 0.622 CB 1.269 46 residues pruned to eliminate duplicates Z: 43 25.907 1.960 0.497 0.644 0.929 0.595 CB 1.283 43 residues pruned to eliminate duplicates Z: 40 24.398 1.969 0.371 0.693 0.923 0.564 CB 1.315 40 residues pruned to eliminate duplicates Z: 39 23.321 1.958 0.383 0.658 0.921 0.526 CB 1.310 39 residues pruned to eliminate duplicates Z: 28 25.199 2.056 0.518 0.711 1.000 0.519 CB 1.283 28 residues pruned to eliminate duplicates Z: 40 23.430 1.984 0.321 0.685 0.949 0.641 CB 1.274 40 residues pruned to eliminate duplicates Z: 40 25.623 1.988 0.397 0.728 0.949 0.641 CB 1.268 40 residues pruned to eliminate duplicates Z: 41 24.728 1.978 0.445 0.674 0.925 0.650 CB 1.260 41 residues pruned to eliminate duplicates Z: 30 24.215 2.027 0.497 0.718 0.966 0.690 CB 1.260 30 residues pruned to eliminate duplicates Z: 19 22.437 2.018 0.694 0.726 1.000 0.778 CB 1.261 19 residues pruned to eliminate duplicates Z: 30 25.174 2.032 0.441 0.723 0.966 0.621 CB 1.352 30 residues pruned to eliminate duplicates Z: 44 29.110 1.966 0.410 0.744 1.000 0.721 CB 1.287 44 residues pruned to eliminate duplicates Z: 39 24.681 1.994 0.404 0.690 0.947 0.658 CB 1.268 39 residues pruned to eliminate duplicates Z: 26 29.948 2.117 0.593 0.787 1.000 0.640 CB 1.380 26 residues pruned to eliminate duplicates Z: 59 35.059 2.042 0.598 0.702 0.914 0.690 CB 1.284 64 residues pruned to eliminate duplicates Z: 24 30.994 2.176 0.604 0.933 1.000 0.826 CB 1.292 24 residues pruned to eliminate duplicates Z: 21 25.842 2.202 0.599 0.880 0.900 0.600 CB 1.322 21 residues pruned to eliminate duplicates Z: 24 27.178 2.087 0.603 0.814 1.000 0.391 CB 1.290 24 residues pruned to eliminate duplicates Z: 43 27.412 1.993 0.436 0.685 0.952 0.571 CB 1.309 43 residues pruned to eliminate duplicates Z: 27 26.912 2.093 0.633 0.770 0.923 0.423 CB 1.318 27 residues pruned to eliminate duplicates Z: 43 27.845 1.975 0.443 0.720 0.976 0.690 CB 1.265 43 residues pruned to eliminate duplicates Z: 12 9.135 1.825 0.246 0.399 1.000 0.818 CB 1.348 12 residues pruned to eliminate duplicates Z: 13 7.676 1.723 0.222 0.351 0.917 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 13 9.040 1.747 0.268 0.367 1.000 0.750 CB 1.360 14 residues pruned to eliminate duplicates Z: 9 7.844 1.477 0.909 0.638 0.875 0.500 CB 0.988 9 residues pruned to eliminate duplicates Z: 13 8.696 1.765 0.494 0.397 0.833 0.750 CB 1.274 13 residues pruned to eliminate duplicates Z: 14 8.428 1.646 0.471 0.333 1.000 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 6 5.127 1.616 0.791 0.520 1.000 0.400 CB 0.777 6 residues pruned to eliminate duplicates Z: 12 8.147 2.067 0.162 0.547 0.818 0.364 CB 1.194 13 residues pruned to eliminate duplicates Z: 13 12.312 1.983 0.657 0.648 0.833 0.417 CB 1.130 13 residues pruned to eliminate duplicates Z: 18 14.773 1.932 0.644 0.562 0.882 0.471 CB 1.204 18 residues pruned to eliminate duplicates Z: 13 10.796 1.946 0.413 0.370 1.000 0.417 CB 1.303 13 residues pruned to eliminate duplicates Z: 18 14.548 1.903 0.671 0.602 0.824 0.529 CB 1.223 18 residues pruned to eliminate duplicates Z: 18 11.570 1.909 0.706 0.449 0.765 0.412 CB 1.188 18 residues pruned to eliminate duplicates Z: 18 13.273 1.917 0.787 0.523 0.824 0.294 CB 1.115 18 residues pruned to eliminate duplicates Z: 18 15.010 1.918 0.716 0.539 0.941 0.471 CB 1.131 18 residues pruned to eliminate duplicates Z: 13 14.504 1.751 1.018 0.776 0.833 0.500 CB 1.115 13 residues pruned to eliminate duplicates Z: 17 16.233 2.000 0.695 0.551 0.875 0.438 CB 1.302 17 residues pruned to eliminate duplicates Z: 17 14.197 1.987 0.570 0.584 0.875 0.500 CB 1.199 17 residues pruned to eliminate duplicates Z: 13 17.772 1.759 1.018 0.786 0.917 0.500 CB 1.226 12 residues pruned to eliminate duplicates Z: 13 17.376 1.790 0.792 0.751 1.000 0.583 CA 1.249 13 residues pruned to eliminate duplicates Z: 6 4.885 1.415 0.850 0.329 1.000 0.600 CB 1.007 Z: 8 5.064 1.481 0.637 0.445 0.857 0.429 CA 0.975 8 residues pruned to eliminate duplicates Z: 16 18.716 1.813 0.628 0.643 1.000 0.733 CA 1.433 16 residues pruned to eliminate duplicates Z: 18 9.468 1.650 0.562 0.343 0.824 0.529 CA 1.284 19 residues pruned to eliminate duplicates Z: 9 10.544 1.716 0.165 0.906 1.000 0.875 CA 1.326 9 residues pruned to eliminate duplicates Z: 21 16.134 1.731 0.411 0.581 0.950 0.750 CB 1.438 18 residues pruned to eliminate duplicates Z: 11 15.633 1.766 0.461 0.883 1.000 0.500 CB 1.386 11 residues pruned to eliminate duplicates Z: 21 16.471 1.716 0.586 0.585 0.950 0.850 CA 1.313 27 residues pruned to eliminate duplicates Z: 17 18.899 1.769 0.717 0.628 0.938 0.750 CB 1.471 16 residues pruned to eliminate duplicates Z: 12 15.795 1.648 0.617 0.877 1.000 0.818 CB 1.298 12 residues pruned to eliminate duplicates Z: 16 23.475 1.872 0.756 0.744 1.000 0.867 CB 1.482 17 residues pruned to eliminate duplicates Z: 12 16.499 1.625 0.664 0.899 1.000 0.727 CA 1.315 12 residues pruned to eliminate duplicates Z: 24 18.800 1.703 0.602 0.574 1.000 0.696 CA 1.338 21 residues pruned to eliminate duplicates Z: 12 30.482 2.209 0.977 0.918 1.000 0.818 CB 1.484 12 residues pruned to eliminate duplicates Z: 28 28.951 1.980 0.658 0.782 0.963 0.741 CB 1.375 33 residues pruned to eliminate duplicates Z: 12 28.585 2.226 0.837 0.917 1.000 0.818 CB 1.487 13 residues pruned to eliminate duplicates Z: 13 26.196 2.053 0.872 0.943 1.000 0.833 CB 1.363 12 residues pruned to eliminate duplicates Z: 13 23.453 2.173 0.552 0.926 1.000 0.833 CB 1.407 13 residues pruned to eliminate duplicates Z: 15 23.241 1.953 0.817 0.784 1.000 0.786 CA 1.364 15 residues pruned to eliminate duplicates Z: 26 24.256 2.074 0.634 0.746 0.880 0.640 CB 1.306 26 residues pruned to eliminate duplicates Z: 14 27.006 1.986 0.878 0.846 1.000 0.846 CA 1.491 14 residues pruned to eliminate duplicates Z: 13 27.768 2.059 0.905 0.857 1.000 0.667 CB 1.505 13 residues pruned to eliminate duplicates Z: 13 26.439 2.119 0.810 0.899 0.917 0.750 CB 1.551 13 residues pruned to eliminate duplicates Z: 14 14.717 1.940 0.596 0.632 0.846 0.462 CB 1.375 14 residues pruned to eliminate duplicates Z: 12 24.245 2.000 0.817 0.818 1.000 0.545 CB 1.527 12 residues pruned to eliminate duplicates Z: 11 24.813 1.961 0.852 0.890 1.000 0.800 CB 1.555 11 residues pruned to eliminate duplicates Z: 13 18.210 1.954 0.663 0.697 0.917 0.750 CB 1.473 13 residues pruned to eliminate duplicates Z: 25 29.474 2.098 0.771 0.774 0.958 0.708 CB 1.326 25 residues pruned to eliminate duplicates Z: 13 16.359 1.974 0.665 0.699 0.833 0.583 CB 1.437 13 residues pruned to eliminate duplicates Z: 25 24.922 1.890 0.752 0.749 0.875 0.583 CB 1.405 25 residues pruned to eliminate duplicates Z: 15 15.016 1.856 0.479 0.670 0.929 0.643 CA 1.346 15 residues pruned to eliminate duplicates Z: 19 9.340 1.688 0.451 0.370 0.889 0.667 CB 1.163 19 residues pruned to eliminate duplicates 6 1.922 1.589 0.461 0.100 0.600 0.200 CB 1.029 ? Z: 9 3.236 1.344 0.519 0.257 0.750 0.375 CA 0.988 5 residues pruned to eliminate duplicates Z: 6 2.632 1.384 0.635 0.259 0.800 0.800 CB 0.857 Z: 12 10.327 1.683 0.149 0.808 0.909 0.818 CA 1.354 12 residues pruned to eliminate duplicates Z: 12 15.314 1.784 0.429 0.740 1.000 0.727 CA 1.461 12 residues pruned to eliminate duplicates Z: 12 18.052 1.866 0.602 0.746 1.000 0.727 CA 1.462 11 residues pruned to eliminate duplicates Z: 11 19.239 1.865 0.605 0.885 1.000 0.800 CA 1.468 11 residues pruned to eliminate duplicates Z: 13 11.169 1.699 0.479 0.601 0.917 0.667 CB 1.271 13 residues pruned to eliminate duplicates Z: 20 11.859 1.777 0.370 0.537 0.947 0.632 CB 1.138 32 residues pruned to eliminate duplicates Z: 11 18.084 1.808 0.545 0.871 1.000 0.500 CA 1.494 Z: 11 15.615 1.796 0.391 0.874 1.000 0.500 CB 1.439 11 residues pruned to eliminate duplicates Z: 11 17.262 1.836 0.506 0.870 1.000 0.600 CA 1.441 11 residues pruned to eliminate duplicates Z: 18 22.123 2.030 0.584 0.742 0.941 0.588 CA 1.428 18 residues pruned to eliminate duplicates Z: 20 24.083 2.017 0.786 0.707 0.947 0.684 CB 1.342 20 residues pruned to eliminate duplicates Z: 18 18.172 1.977 0.356 0.698 0.941 0.529 CB 1.458 17 residues pruned to eliminate duplicates Z: 17 24.338 2.055 0.760 0.887 0.938 0.875 CB 1.294 17 residues pruned to eliminate duplicates Z: 17 22.286 1.958 0.583 0.858 1.000 0.812 CB 1.323 17 residues pruned to eliminate duplicates Z: 17 23.179 2.071 0.594 0.772 0.938 0.625 CB 1.472 17 residues pruned to eliminate duplicates Z: 20 17.114 1.932 0.477 0.667 0.842 0.526 CB 1.400 20 residues pruned to eliminate duplicates Z: 17 21.385 2.066 0.441 0.788 1.000 0.625 CB 1.394 17 residues pruned to eliminate duplicates Z: 16 22.683 2.134 0.456 0.839 0.933 0.733 CB 1.508 16 residues pruned to eliminate duplicates Z: 18 24.549 1.979 0.571 0.915 1.000 0.824 CB 1.353 18 residues pruned to eliminate duplicates Z: 21 20.242 1.967 0.681 0.662 0.950 0.650 CB 1.239 21 residues pruned to eliminate duplicates Z: 19 21.014 1.998 0.480 0.694 0.944 0.611 CB 1.485 17 residues pruned to eliminate duplicates Z: 17 25.300 1.977 0.735 0.891 1.000 1.000 CB 1.325 17 residues pruned to eliminate duplicates Z: 22 21.317 1.890 0.633 0.719 1.000 0.619 CB 1.236 22 residues pruned to eliminate duplicates Z: 21 24.130 1.989 0.770 0.741 0.950 0.600 CB 1.300 21 residues pruned to eliminate duplicates Z: 46 33.512 1.974 0.732 0.739 0.956 0.511 CB 1.235 45 residues pruned to eliminate duplicates Z: 18 22.077 1.959 0.648 0.873 0.941 0.824 CB 1.284 18 residues pruned to eliminate duplicates Z: 20 24.811 2.033 0.710 0.754 1.000 0.789 CB 1.306 22 residues pruned to eliminate duplicates Z: 19 19.463 1.990 0.465 0.800 0.944 0.778 CB 1.281 19 residues pruned to eliminate duplicates Z: 20 25.427 2.037 0.759 0.752 1.000 0.789 CB 1.301 20 residues pruned to eliminate duplicates Z: 13 21.744 1.930 0.980 0.812 1.000 0.833 CB 1.252 13 residues pruned to eliminate duplicates Z: 13 20.233 1.997 0.548 0.844 0.917 0.750 CB 1.533 13 residues pruned to eliminate duplicates Z: 46 35.259 1.955 0.670 0.755 0.978 0.667 CB 1.312 44 residues pruned to eliminate duplicates Z: 15 15.831 1.734 0.924 0.797 0.857 0.571 CB 1.140 15 residues pruned to eliminate duplicates Z: 26 24.361 1.956 0.634 0.761 0.960 0.680 CB 1.259 26 residues pruned to eliminate duplicates Z: 26 25.066 1.936 0.551 0.782 1.000 0.680 CB 1.302 27 residues pruned to eliminate duplicates Z: 12 21.204 1.985 0.774 0.888 1.000 0.545 CA 1.308 12 residues pruned to eliminate duplicates Z: 26 27.275 1.948 0.787 0.775 0.960 0.680 CB 1.280 26 residues pruned to eliminate duplicates Z: 13 17.909 1.866 0.526 0.895 1.000 0.833 CA 1.302 13 residues pruned to eliminate duplicates Z: 49 29.441 1.902 0.510 0.731 0.958 0.708 CB 1.254 49 residues pruned to eliminate duplicates Z: 15 17.031 1.963 0.482 0.765 0.929 0.500 CB 1.332 15 residues pruned to eliminate duplicates Z: 48 31.173 1.931 0.494 0.744 1.000 0.532 CB 1.268 48 residues pruned to eliminate duplicates Z: 27 21.051 1.862 0.408 0.734 0.962 0.692 CB 1.327 27 residues pruned to eliminate duplicates Z: 27 23.013 1.884 0.445 0.744 0.962 0.692 CB 1.386 27 residues pruned to eliminate duplicates Z: 13 14.658 1.909 0.398 0.694 0.917 0.917 CB 1.448 13 residues pruned to eliminate duplicates Z: 26 23.482 1.936 0.460 0.763 0.960 0.680 CB 1.370 26 residues pruned to eliminate duplicates Z: 26 24.697 1.914 0.473 0.774 0.960 0.840 CA 1.433 26 residues pruned to eliminate duplicates Z: 24 21.159 1.974 0.247 0.778 1.000 0.696 CB 1.402 24 residues pruned to eliminate duplicates Z: 25 22.233 1.961 0.325 0.762 1.000 0.792 CB 1.383 25 residues pruned to eliminate duplicates Z: 26 23.889 1.959 0.368 0.778 1.000 0.840 CB 1.395 26 residues pruned to eliminate duplicates Z: 45 35.676 2.006 0.678 0.775 0.977 0.568 CB 1.282 45 residues pruned to eliminate duplicates Z: 11 14.149 1.800 0.626 0.834 0.900 0.600 CB 1.274 10 residues pruned to eliminate duplicates Z: 12 18.029 1.749 0.682 0.921 1.000 0.636 CA 1.300 12 residues pruned to eliminate duplicates Z: 11 15.029 1.767 0.781 0.889 0.900 0.500 CB 1.208 11 residues pruned to eliminate duplicates Z: 26 27.280 1.933 0.739 0.778 0.960 0.600 CB 1.323 26 residues pruned to eliminate duplicates Z: 9 11.593 1.942 0.627 0.435 1.000 0.625 CB 1.387 9 residues pruned to eliminate duplicates Z: 6 4.568 1.304 0.934 0.474 0.800 0.600 N 1.040 6 residues pruned to eliminate duplicates Z: 9 4.354 1.970 0.191 0.254 0.750 0.375 CB 1.161 9 residues pruned to eliminate duplicates Z: 11 6.780 1.957 0.656 0.269 0.900 0.500 CB 0.957 8 residues pruned to eliminate duplicates Z: 6 5.198 1.822 0.464 0.208 1.000 0.200 CA 1.230 6 residues pruned to eliminate duplicates Z: 10 7.689 2.020 0.692 0.288 0.889 0.333 CB 1.071 11 residues pruned to eliminate duplicates Z: 16 24.053 1.952 0.749 0.913 1.000 0.800 CA 1.287 16 residues pruned to eliminate duplicates Z: 17 19.934 2.079 0.710 0.751 0.938 0.812 CB 1.195 17 residues pruned to eliminate duplicates Z: 31 20.195 1.954 0.590 0.625 0.900 0.667 CB 1.173 31 residues pruned to eliminate duplicates Z: 20 19.166 2.049 0.714 0.699 0.947 0.789 CB 1.103 20 residues pruned to eliminate duplicates Z: 7 10.339 2.171 0.643 0.705 0.833 0.833 CA 1.179 7 residues pruned to eliminate duplicates Z: 31 19.165 1.949 0.675 0.610 0.867 0.567 CB 1.114 31 residues pruned to eliminate duplicates Z: 17 19.806 2.068 0.766 0.737 0.938 0.375 CB 1.169 17 residues pruned to eliminate duplicates Z: 15 21.290 2.097 0.888 0.847 0.857 0.357 CB 1.246 15 residues pruned to eliminate duplicates Z: 19 18.153 2.047 0.778 0.695 0.889 0.444 CB 1.106 19 residues pruned to eliminate duplicates Z: 23 16.870 1.907 0.764 0.599 0.818 0.364 CB 1.189 23 residues pruned to eliminate duplicates Z: 27 14.640 1.828 0.503 0.534 0.846 0.615 CB 1.194 27 residues pruned to eliminate duplicates Z: 34 21.626 1.883 0.668 0.675 0.970 0.485 CB 1.052 32 residues pruned to eliminate duplicates Z: 14 24.195 2.074 0.958 0.846 0.923 0.462 CB 1.330 14 residues pruned to eliminate duplicates Z: 32 21.756 1.941 0.666 0.642 0.968 0.613 CB 1.094 32 residues pruned to eliminate duplicates Z: 36 18.884 1.860 0.587 0.548 0.943 0.400 CB 1.095 36 residues pruned to eliminate duplicates Z: 33 21.857 1.934 0.721 0.638 0.938 0.562 CB 1.088 33 residues pruned to eliminate duplicates Z: 26 21.163 2.014 0.828 0.670 0.920 0.520 CB 1.068 26 residues pruned to eliminate duplicates Z: 30 17.794 1.823 0.543 0.548 0.931 0.724 CB 1.204 30 residues pruned to eliminate duplicates Z: 17 15.432 1.771 0.728 0.683 1.000 0.812 CB 1.066 17 residues pruned to eliminate duplicates Z: 6 10.480 1.865 0.719 0.462 1.000 0.600 CA 1.519 6 residues pruned to eliminate duplicates Z: 18 9.848 1.707 0.733 0.474 0.941 0.647 CB 0.881 18 residues pruned to eliminate duplicates Z: 33 24.474 1.898 0.837 0.661 0.938 0.406 CB 1.139 33 residues pruned to eliminate duplicates Z: 27 19.441 1.912 0.643 0.651 0.885 0.654 CB 1.192 27 residues pruned to eliminate duplicates Z: 31 24.886 1.955 0.837 0.684 0.933 0.500 CB 1.145 31 residues pruned to eliminate duplicates Z: 33 23.027 1.951 0.685 0.632 0.969 0.438 CB 1.129 33 residues pruned to eliminate duplicates Z: 31 20.775 1.948 0.619 0.672 0.933 0.600 CB 1.099 31 residues pruned to eliminate duplicates Z: 37 21.180 1.854 0.734 0.660 0.917 0.528 CB 1.033 37 residues pruned to eliminate duplicates Z: 35 21.078 1.886 0.696 0.652 0.912 0.471 CB 1.076 35 residues pruned to eliminate duplicates Z: 12 8.664 1.727 0.362 0.555 0.909 0.364 CB 1.158 14 residues pruned to eliminate duplicates Z: 9 6.580 1.722 0.334 0.848 0.875 0.500 CB 0.859 8 residues pruned to eliminate duplicates Z: 9 8.909 1.738 0.580 0.891 1.000 0.375 CB 0.825 9 residues pruned to eliminate duplicates Z: 18 14.315 1.910 0.863 0.650 0.882 0.412 CB 0.961 18 residues pruned to eliminate duplicates Z: 8 4.944 1.626 0.662 0.578 1.000 0.286 CB 0.641 7 residues pruned to eliminate duplicates Z: 6 5.845 1.677 0.819 0.837 0.800 0.200 CB 0.802 6 residues pruned to eliminate duplicates Z: 6 7.011 1.662 0.762 0.836 1.000 0.200 CB 0.801 6 residues pruned to eliminate duplicates Z: 7 6.950 1.485 0.931 0.724 1.000 0.000 CB 0.808 6 residues pruned to eliminate duplicates Z: 13 27.466 2.039 0.822 0.913 1.000 0.750 CB 1.511 14 residues pruned to eliminate duplicates Z: 13 27.632 1.997 0.826 0.921 1.000 1.000 CB 1.538 13 residues pruned to eliminate duplicates Z: 13 25.115 1.991 0.864 0.906 0.917 0.917 CA 1.515 13 residues pruned to eliminate duplicates Z: 14 22.780 1.947 0.709 0.866 0.923 0.923 CB 1.506 14 residues pruned to eliminate duplicates Z: 15 25.457 1.916 0.816 0.803 1.000 0.786 CB 1.500 15 residues pruned to eliminate duplicates Z: 13 26.689 1.927 0.993 0.926 1.000 0.917 CB 1.407 13 residues pruned to eliminate duplicates Z: 14 20.891 1.911 0.745 0.827 0.923 0.692 CB 1.418 14 residues pruned to eliminate duplicates Z: 14 21.323 1.869 0.888 0.836 0.846 0.615 CB 1.482 14 residues pruned to eliminate duplicates Z: 9 14.658 1.906 0.642 0.893 0.750 0.250 CB 1.586 9 residues pruned to eliminate duplicates Z: 15 19.214 1.936 0.765 0.817 0.857 0.571 CB 1.332 15 residues pruned to eliminate duplicates Z: 15 21.295 1.840 0.730 0.841 0.929 0.357 CB 1.437 15 residues pruned to eliminate duplicates Z: 38 23.316 1.711 0.549 0.628 0.946 0.811 CB 1.356 34 residues pruned to eliminate duplicates Z: 8 9.223 1.769 0.578 0.750 1.000 0.857 CB 0.999 8 residues pruned to eliminate duplicates Z: 37 28.853 2.054 0.712 0.639 0.944 0.694 CA 1.271 37 residues pruned to eliminate duplicates Z: 37 29.526 2.047 0.657 0.636 0.944 0.694 CA 1.352 37 residues pruned to eliminate duplicates Z: 35 31.622 2.088 0.846 0.608 0.912 0.559 CB 1.393 35 residues pruned to eliminate duplicates Z: 35 33.484 2.055 1.049 0.631 0.912 0.765 CB 1.323 35 residues pruned to eliminate duplicates Z: 34 31.418 2.089 0.816 0.648 0.939 0.667 CB 1.337 34 residues pruned to eliminate duplicates Z: 8 9.468 1.973 0.839 0.596 0.857 0.429 CA 1.050 8 residues pruned to eliminate duplicates Z: 23 22.676 1.965 0.950 0.617 0.864 0.636 CB 1.308 23 residues pruned to eliminate duplicates Z: 25 19.620 1.881 0.830 0.613 0.917 0.583 CB 1.141 24 residues pruned to eliminate duplicates Z: 14 20.131 2.114 0.800 0.722 0.846 0.692 CB 1.418 14 residues pruned to eliminate duplicates Z: 22 25.093 2.035 0.828 0.672 0.952 0.714 CB 1.319 22 residues pruned to eliminate duplicates Z: 36 30.648 2.042 0.740 0.665 0.943 0.600 CB 1.328 36 residues pruned to eliminate duplicates Z: 22 22.403 1.985 0.784 0.638 0.952 0.667 CB 1.273 22 residues pruned to eliminate duplicates Z: 11 28.254 2.089 1.221 0.895 1.000 0.900 CB 1.381 11 residues pruned to eliminate duplicates Z: 34 37.408 2.102 0.957 0.644 0.970 0.758 CA 1.427 46 residues pruned to eliminate duplicates Z: 13 24.615 2.013 1.228 0.835 0.917 0.583 CB 1.295 13 residues pruned to eliminate duplicates Z: 37 30.377 2.007 0.899 0.598 0.944 0.611 CB 1.282 37 residues pruned to eliminate duplicates Z: 14 22.459 2.153 0.807 0.733 0.923 0.769 CB 1.407 14 residues pruned to eliminate duplicates Z: 35 27.949 2.049 0.769 0.600 0.912 0.588 CA 1.318 35 residues pruned to eliminate duplicates Z: 35 28.588 2.079 0.682 0.639 0.912 0.735 CB 1.350 34 residues pruned to eliminate duplicates Z: 14 20.827 2.132 0.758 0.749 0.923 0.846 CA 1.338 14 residues pruned to eliminate duplicates Z: 63 42.475 2.020 0.891 0.651 0.935 0.629 CB 1.312 63 residues pruned to eliminate duplicates Z: 12 20.474 2.119 0.850 0.901 1.000 0.909 CA 1.124 12 residues pruned to eliminate duplicates Z: 41 25.640 1.976 0.725 0.564 0.875 0.675 CB 1.278 41 residues pruned to eliminate duplicates Z: 35 29.810 2.085 0.742 0.605 0.912 0.706 CA 1.398 35 residues pruned to eliminate duplicates Z: 24 27.865 2.135 0.810 0.669 0.913 0.696 CA 1.409 24 residues pruned to eliminate duplicates Z: 33 31.157 2.102 0.879 0.629 0.938 0.750 CB 1.318 35 residues pruned to eliminate duplicates Z: 14 17.298 1.969 0.503 0.895 0.923 0.769 CA 1.259 11 residues pruned to eliminate duplicates Z: 10 15.114 2.116 0.740 0.689 0.889 0.556 CA 1.295 10 residues pruned to eliminate duplicates Z: 34 31.641 2.060 0.774 0.637 0.970 0.818 CB 1.367 34 residues pruned to eliminate duplicates Z: 26 23.809 2.009 0.679 0.543 0.920 0.360 CB 1.471 25 residues pruned to eliminate duplicates Z: 6 3.167 1.350 0.751 0.289 0.800 0.400 CB 0.949 6 residues pruned to eliminate duplicates Z: 7 11.326 1.871 0.532 0.633 1.000 0.500 CB 1.424 9 residues pruned to eliminate duplicates Z: 7 3.018 1.423 0.435 0.228 0.833 0.333 CB 0.995 7 residues pruned to eliminate duplicates Z: 25 26.015 2.087 0.727 0.528 0.958 0.417 CA 1.496 25 residues pruned to eliminate duplicates Z: 10 8.602 1.949 0.716 0.575 0.778 0.556 CA 1.025 10 residues pruned to eliminate duplicates Z: 25 18.050 2.045 0.543 0.467 0.875 0.375 CB 1.381 25 residues pruned to eliminate duplicates Z: 22 17.726 2.028 0.754 0.439 0.857 0.381 CA 1.351 22 residues pruned to eliminate duplicates Z: 26 17.531 2.021 0.666 0.443 0.800 0.440 CB 1.380 26 residues pruned to eliminate duplicates Z: 20 20.492 2.055 0.621 0.579 0.947 0.474 CB 1.381 20 residues pruned to eliminate duplicates Z: 18 19.570 2.083 0.799 0.525 0.824 0.529 CA 1.500 18 residues pruned to eliminate duplicates Z: 19 25.188 2.123 0.996 0.516 0.944 0.556 CA 1.460 18 residues pruned to eliminate duplicates Z: 10 12.049 2.180 0.577 0.509 1.000 0.556 CA 1.158 10 residues pruned to eliminate duplicates Z: 20 17.399 2.125 0.727 0.487 0.789 0.632 CB 1.396 20 residues pruned to eliminate duplicates Z: 26 19.033 2.052 0.592 0.472 0.840 0.280 CB 1.427 26 residues pruned to eliminate duplicates Z: 17 20.640 2.173 0.607 0.579 0.938 0.500 CB 1.461 17 residues pruned to eliminate duplicates Z: 18 21.777 2.131 0.760 0.536 0.941 0.588 CA 1.444 18 residues pruned to eliminate duplicates Z: 26 20.630 2.048 0.737 0.479 0.840 0.400 CB 1.412 26 residues pruned to eliminate duplicates Z: 19 21.283 2.094 0.826 0.510 0.889 0.389 CB 1.461 19 residues pruned to eliminate duplicates Z: 22 30.261 2.155 0.742 0.810 0.952 0.952 CA 1.409 22 residues pruned to eliminate duplicates Z: 80 37.143 1.970 0.516 0.671 0.924 0.671 CB 1.293 80 residues pruned to eliminate duplicates Z: 78 37.569 1.990 0.551 0.682 0.922 0.675 CB 1.273 76 residues pruned to eliminate duplicates Z: 21 30.943 2.077 0.764 0.913 1.000 0.750 CA 1.337 21 residues pruned to eliminate duplicates Z: 26 33.932 2.113 0.844 0.810 0.960 0.840 CB 1.385 26 residues pruned to eliminate duplicates Z: 60 42.746 2.087 0.909 0.689 0.898 0.593 CB 1.308 60 residues pruned to eliminate duplicates Z: 48 35.515 2.105 0.636 0.786 0.915 0.660 CB 1.279 48 residues pruned to eliminate duplicates Z: 24 41.966 2.186 0.967 0.869 0.957 0.739 CB 1.554 24 residues pruned to eliminate duplicates Z: 22 34.132 2.181 0.877 0.811 0.905 0.667 CB 1.534 22 residues pruned to eliminate duplicates Z: 22 39.222 2.163 1.090 0.860 1.000 0.524 CB 1.392 22 residues pruned to eliminate duplicates Z: 37 32.818 2.043 0.669 0.719 1.000 0.444 CB 1.315 37 residues pruned to eliminate duplicates Z: 70 44.938 2.073 0.777 0.711 0.942 0.507 CB 1.287 70 residues pruned to eliminate duplicates Z: 22 42.911 2.150 1.130 0.951 1.000 0.476 CB 1.409 22 residues pruned to eliminate duplicates Z: 39 29.814 2.068 0.664 0.709 0.974 0.474 CB 1.194 39 residues pruned to eliminate duplicates Z: 38 31.656 2.046 0.770 0.725 0.973 0.622 CB 1.206 38 residues pruned to eliminate duplicates Z: 83 52.807 2.122 0.687 0.728 0.976 0.561 CB 1.360 83 residues pruned to eliminate duplicates Z: 22 31.764 2.100 1.063 0.873 0.905 0.333 CB 1.288 22 residues pruned to eliminate duplicates Z: 59 48.521 2.134 0.931 0.683 0.948 0.603 CB 1.378 59 residues pruned to eliminate duplicates Z: 73 36.534 2.021 0.593 0.639 0.944 0.472 CB 1.243 73 residues pruned to eliminate duplicates Z: 23 38.711 2.154 1.077 0.915 0.955 0.136 CB 1.366 23 residues pruned to eliminate duplicates Z: 69 38.777 2.013 0.766 0.660 0.882 0.515 CB 1.293 68 residues pruned to eliminate duplicates Z: 22 40.673 2.047 1.093 0.927 1.000 0.190 CB 1.451 22 residues pruned to eliminate duplicates Z: 9 4.490 1.584 0.863 0.506 0.750 0.500 CB 0.713 9 residues pruned to eliminate duplicates Z: 34 28.918 2.033 0.921 0.744 0.848 0.333 CB 1.221 34 residues pruned to eliminate duplicates Z: 35 31.150 2.048 0.861 0.755 0.912 0.382 CB 1.224 35 residues pruned to eliminate duplicates Z: 60 48.531 2.141 0.843 0.758 0.949 0.661 CB 1.340 60 residues pruned to eliminate duplicates Z: 64 44.802 2.087 0.888 0.727 0.905 0.603 CB 1.291 64 residues pruned to eliminate duplicates Z: 55 38.239 2.073 0.708 0.682 0.944 0.574 CB 1.316 55 residues pruned to eliminate duplicates Z: 47 29.900 2.015 0.580 0.631 0.957 0.630 CB 1.279 47 residues pruned to eliminate duplicates Z: 41 34.408 2.102 0.836 0.714 0.925 0.550 CB 1.256 41 residues pruned to eliminate duplicates Z: 44 35.785 2.050 0.971 0.739 0.884 0.535 CB 1.234 44 residues pruned to eliminate duplicates Z: 70 44.434 2.068 0.805 0.725 0.913 0.522 CB 1.281 70 residues pruned to eliminate duplicates Z: 11 14.386 1.952 0.498 0.673 1.000 0.800 CB 1.327 11 residues pruned to eliminate duplicates Z: 64 36.782 2.003 0.739 0.655 0.937 0.556 CB 1.230 59 residues pruned to eliminate duplicates Z: 14 17.994 2.035 0.601 0.787 0.923 0.615 CB 1.289 14 residues pruned to eliminate duplicates Z: 64 46.154 2.111 0.787 0.714 0.921 0.524 CB 1.379 64 residues pruned to eliminate duplicates Z: 44 33.499 2.074 0.594 0.665 0.953 0.814 CB 1.391 44 residues pruned to eliminate duplicates Z: 36 32.722 2.135 0.606 0.671 0.943 0.743 CA 1.461 36 residues pruned to eliminate duplicates Z: 46 25.644 2.013 0.426 0.561 0.956 0.667 CB 1.315 46 residues pruned to eliminate duplicates Z: 68 47.243 2.109 0.798 0.706 0.910 0.567 CB 1.386 68 residues pruned to eliminate duplicates Z: 75 44.240 2.075 0.728 0.669 0.919 0.608 CB 1.336 75 residues pruned to eliminate duplicates Z: 61 47.017 2.129 0.813 0.725 0.917 0.567 CB 1.400 61 residues pruned to eliminate duplicates Z: 68 47.215 2.101 0.804 0.719 0.925 0.642 CB 1.349 68 residues pruned to eliminate duplicates Z: 110 49.814 2.034 0.642 0.673 0.927 0.523 CB 1.315 110 residues pruned to eliminate duplicates Z: 31 24.216 2.000 0.479 0.605 0.967 0.700 CB 1.398 31 residues pruned to eliminate duplicates Z: 20 21.934 2.141 0.579 0.565 0.895 0.789 CA 1.563 20 residues pruned to eliminate duplicates Z: 12 17.037 2.248 0.509 0.642 0.909 0.818 CA 1.459 12 residues pruned to eliminate duplicates Z: 47 29.012 2.053 0.478 0.656 0.935 0.609 CB 1.304 48 residues pruned to eliminate duplicates Z: 16 24.697 2.126 0.497 0.804 1.000 0.733 CA 1.538 16 residues pruned to eliminate duplicates Z: 25 22.614 2.024 0.524 0.671 0.917 0.625 CB 1.393 25 residues pruned to eliminate duplicates Z: 37 24.357 1.995 0.542 0.542 0.917 0.639 CB 1.382 37 residues pruned to eliminate duplicates Z: 25 26.737 2.046 0.690 0.652 0.958 0.625 CB 1.430 25 residues pruned to eliminate duplicates Z: 31 27.944 2.016 0.722 0.599 0.967 0.467 CB 1.383 31 residues pruned to eliminate duplicates Z: 31 28.800 2.067 0.728 0.633 0.867 0.700 CA 1.499 31 residues pruned to eliminate duplicates Z: 36 35.605 2.125 0.717 0.685 0.943 0.714 CB 1.477 36 residues pruned to eliminate duplicates Z: 46 31.204 2.060 0.693 0.625 0.911 0.578 CB 1.301 46 residues pruned to eliminate duplicates Z: 26 28.455 2.056 0.822 0.659 0.920 0.680 CB 1.425 26 residues pruned to eliminate duplicates Z: 51 32.534 2.029 0.615 0.621 0.920 0.640 CB 1.361 51 residues pruned to eliminate duplicates Z: 20 24.918 2.019 1.071 0.577 0.842 0.579 CB 1.507 20 residues pruned to eliminate duplicates Z: 29 21.637 2.003 0.739 0.600 0.857 0.500 CB 1.244 29 residues pruned to eliminate duplicates Z: 57 34.000 2.015 0.648 0.701 0.911 0.607 CB 1.251 57 residues pruned to eliminate duplicates Z: 32 15.560 1.897 0.542 0.479 0.871 0.516 CB 1.121 32 residues pruned to eliminate duplicates Z: 19 8.305 1.754 0.353 0.448 0.833 0.389 CB 1.044 19 residues pruned to eliminate duplicates Z: 50 30.499 2.015 0.708 0.595 0.918 0.571 CB 1.259 50 residues pruned to eliminate duplicates Z: 17 5.310 1.718 0.206 0.424 0.750 0.250 CB 0.924 17 residues pruned to eliminate duplicates Z: 116 53.516 2.015 0.767 0.662 0.913 0.504 CB 1.322 117 residues pruned to eliminate duplicates Z: 8 9.732 1.689 0.813 0.887 1.000 0.571 CB 0.866 8 residues pruned to eliminate duplicates Z: 27 20.290 1.919 0.672 0.648 0.923 0.654 CB 1.170 27 residues pruned to eliminate duplicates Z: 75 46.536 2.078 0.830 0.686 0.932 0.541 CB 1.286 75 residues pruned to eliminate duplicates Z: 31 26.983 1.999 0.824 0.598 0.933 0.567 CB 1.319 31 residues pruned to eliminate duplicates Z: 116 50.468 2.015 0.687 0.659 0.930 0.539 CB 1.284 116 residues pruned to eliminate duplicates Z: 78 46.717 2.052 0.811 0.672 0.935 0.597 CB 1.307 78 residues pruned to eliminate duplicates Z: 11 4.340 1.750 0.405 0.193 0.800 0.200 CB 1.006 11 residues pruned to eliminate duplicates Z: 6 4.101 1.711 0.488 0.240 1.000 0.600 CB 0.974 6 residues pruned to eliminate duplicates Z: 50 32.719 2.041 0.727 0.601 0.918 0.571 CB 1.310 50 residues pruned to eliminate duplicates Z: 28 17.590 1.910 0.395 0.661 0.926 0.630 CB 1.181 28 residues pruned to eliminate duplicates Z: 33 15.971 1.844 0.341 0.601 0.906 0.562 CB 1.144 33 residues pruned to eliminate duplicates Z: 45 31.383 2.002 0.700 0.613 0.932 0.477 CB 1.341 45 residues pruned to eliminate duplicates Z: 38 29.029 1.977 0.612 0.716 0.946 0.703 CB 1.301 36 residues pruned to eliminate duplicates Z: 14 18.961 2.013 0.373 0.883 1.000 0.692 CB 1.376 14 residues pruned to eliminate duplicates Z: 19 22.874 2.021 0.544 0.782 1.000 0.611 CB 1.348 19 residues pruned to eliminate duplicates Z: 19 20.087 2.008 0.338 0.757 1.000 0.667 CB 1.401 19 residues pruned to eliminate duplicates Z: 49 32.075 1.985 0.705 0.639 0.917 0.542 CB 1.311 49 residues pruned to eliminate duplicates Z: 21 22.050 2.049 0.552 0.709 0.950 0.600 CB 1.351 21 residues pruned to eliminate duplicates Z: 120 58.584 2.044 0.798 0.696 0.924 0.605 CB 1.322 120 residues pruned to eliminate duplicates Z: 20 20.860 2.021 0.623 0.692 0.895 0.474 CB 1.369 20 residues pruned to eliminate duplicates Z: 22 18.959 2.000 0.563 0.643 0.952 0.667 CB 1.216 22 residues pruned to eliminate duplicates Z: 16 22.304 2.101 0.582 0.817 1.000 0.733 CB 1.316 16 residues pruned to eliminate duplicates Z: 15 20.149 2.083 0.700 0.906 0.857 0.714 CB 1.262 15 residues pruned to eliminate duplicates Z: 14 7.734 1.874 0.395 0.332 0.846 0.385 CB 1.166 13 residues pruned to eliminate duplicates Z: 7 3.546 1.626 -0.030 0.369 1.000 0.167 CB 1.055 7 residues pruned to eliminate duplicates Z: 11 7.256 2.000 0.392 0.267 0.800 0.600 CA 1.344 11 residues pruned to eliminate duplicates Z: 11 8.153 2.085 0.529 0.240 0.800 0.400 CB 1.367 11 residues pruned to eliminate duplicates Z: 13 7.845 1.962 0.500 0.251 0.750 0.667 CB 1.365 13 residues pruned to eliminate duplicates Z: 12 6.263 1.951 0.459 0.134 0.727 0.545 CB 1.438 12 residues pruned to eliminate duplicates Z: 13 7.905 1.904 0.539 0.251 0.750 0.667 CA 1.383 13 residues pruned to eliminate duplicates Z: 8 2.773 1.665 0.330 0.453 1.000 0.571 CB 0.496 8 residues pruned to eliminate duplicates Z: 11 9.125 2.025 0.677 0.249 0.800 0.600 CB 1.418 11 residues pruned to eliminate duplicates Z: 12 8.217 1.903 0.712 0.314 0.727 0.364 CB 1.285 12 residues pruned to eliminate duplicates Z: 12 6.235 1.475 0.099 0.743 1.000 0.727 CB 0.933 12 residues pruned to eliminate duplicates Z: 7 6.472 1.547 0.065 0.880 1.000 1.000 O 1.161 8 residues pruned to eliminate duplicates Z: 10 10.319 1.555 0.243 0.849 1.000 0.778 CB 1.318 10 residues pruned to eliminate duplicates Z: 9 11.584 1.735 0.285 0.875 1.000 0.750 CB 1.336 9 residues pruned to eliminate duplicates Z: 8 7.227 1.576 0.480 0.583 0.857 0.714 O 1.261 5 residues pruned to eliminate duplicates Z: 10 9.916 1.573 0.257 0.862 1.000 0.667 CB 1.228 10 residues pruned to eliminate duplicates Z: 13 6.586 1.526 0.131 0.519 0.917 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 11 10.662 1.642 0.369 0.777 1.000 0.500 CB 1.175 12 residues pruned to eliminate duplicates Z: 10 11.428 1.612 0.296 0.797 1.000 0.667 CB 1.407 10 residues pruned to eliminate duplicates Z: 44 29.364 2.056 0.421 0.731 0.907 0.535 CB 1.372 44 residues pruned to eliminate duplicates Z: 46 25.739 1.957 0.555 0.499 0.933 0.422 CB 1.352 46 residues pruned to eliminate duplicates Z: 11 9.644 1.934 0.509 0.720 0.800 0.600 CB 1.070 11 residues pruned to eliminate duplicates Z: 22 15.649 1.860 0.479 0.551 0.905 0.571 CB 1.306 22 residues pruned to eliminate duplicates Z: 21 16.050 1.929 0.591 0.537 0.850 0.600 CB 1.327 21 residues pruned to eliminate duplicates Z: 19 17.848 1.948 0.534 0.608 0.889 0.667 CB 1.429 19 residues pruned to eliminate duplicates Z: 21 15.383 1.816 0.429 0.552 0.950 0.600 CA 1.326 21 residues pruned to eliminate duplicates Z: 48 28.443 1.938 0.465 0.700 0.979 0.745 CA 1.244 48 residues pruned to eliminate duplicates Z: 23 13.514 1.821 0.487 0.533 0.909 0.591 CB 1.133 23 residues pruned to eliminate duplicates Z: 16 10.827 1.834 0.651 0.331 0.867 0.467 CB 1.281 16 residues pruned to eliminate duplicates Z: 11 14.606 1.941 0.678 0.522 1.000 0.600 CA 1.388 11 residues pruned to eliminate duplicates Z: 22 9.595 1.752 0.237 0.471 0.905 0.524 CB 1.099 22 residues pruned to eliminate duplicates Z: 13 12.561 1.879 0.545 0.441 1.000 0.583 CA 1.327 13 residues pruned to eliminate duplicates Z: 64 29.634 1.960 0.515 0.572 0.841 0.429 CB 1.394 64 residues pruned to eliminate duplicates Z: 23 14.378 1.826 0.520 0.506 0.864 0.591 CB 1.271 23 residues pruned to eliminate duplicates Z: 21 16.022 1.868 0.490 0.561 0.950 0.750 CB 1.278 21 residues pruned to eliminate duplicates Z: 48 29.061 2.000 0.588 0.690 0.872 0.596 CB 1.285 48 residues pruned to eliminate duplicates Z: 22 15.596 1.868 0.438 0.492 0.952 0.524 CB 1.342 22 residues pruned to eliminate duplicates Z: 19 14.485 1.867 0.434 0.550 0.944 0.611 CB 1.285 19 residues pruned to eliminate duplicates Z: 45 25.699 2.009 0.458 0.713 0.864 0.500 CB 1.262 45 residues pruned to eliminate duplicates Z: 65 38.620 2.075 0.518 0.652 0.938 0.578 CB 1.419 65 residues pruned to eliminate duplicates Z: 28 29.857 2.139 0.549 0.814 0.963 0.593 CB 1.370 28 residues pruned to eliminate duplicates Z: 46 27.090 1.962 0.454 0.674 0.956 0.533 CB 1.262 46 residues pruned to eliminate duplicates Z: 30 29.411 2.072 0.563 0.777 0.931 0.483 CB 1.419 30 residues pruned to eliminate duplicates Z: 41 28.721 1.981 0.680 0.617 0.950 0.425 CB 1.286 41 residues pruned to eliminate duplicates Z: 31 31.591 2.117 0.618 0.799 0.933 0.533 CB 1.389 31 residues pruned to eliminate duplicates Z: 46 31.389 2.032 0.525 0.641 0.933 0.422 CB 1.418 46 residues pruned to eliminate duplicates Z: 33 25.158 2.019 0.389 0.746 0.969 0.625 CB 1.314 33 residues pruned to eliminate duplicates Z: 46 30.430 1.992 0.573 0.641 0.978 0.511 CB 1.297 46 residues pruned to eliminate duplicates Z: 47 29.935 1.999 0.444 0.699 0.957 0.587 CB 1.333 47 residues pruned to eliminate duplicates Z: 30 34.121 2.087 0.667 0.802 1.000 0.517 CB 1.399 30 residues pruned to eliminate duplicates Z: 19 22.499 2.115 0.443 0.851 0.889 0.667 CA 1.447 19 residues pruned to eliminate duplicates Z: 38 29.414 2.011 0.554 0.655 0.973 0.459 CA 1.377 38 residues pruned to eliminate duplicates Z: 29 35.990 2.136 0.690 0.799 1.000 0.607 CB 1.450 29 residues pruned to eliminate duplicates Z: 30 32.030 2.098 0.563 0.803 0.966 0.759 CB 1.442 30 residues pruned to eliminate duplicates Z: 30 30.847 2.103 0.462 0.760 1.000 0.552 CB 1.479 30 residues pruned to eliminate duplicates Z: 47 29.589 2.015 0.539 0.626 0.913 0.413 CB 1.369 47 residues pruned to eliminate duplicates Z: 45 34.787 2.035 0.571 0.737 0.977 0.568 CB 1.357 45 residues pruned to eliminate duplicates Z: 32 34.289 2.107 0.628 0.754 0.968 0.548 CB 1.479 32 residues pruned to eliminate duplicates Z: 30 31.178 2.102 0.539 0.799 1.000 0.517 CB 1.378 30 residues pruned to eliminate duplicates Z: 41 32.258 2.028 0.614 0.657 0.950 0.550 CA 1.418 41 residues pruned to eliminate duplicates Z: 39 27.266 2.007 0.518 0.611 0.921 0.526 CB 1.419 39 residues pruned to eliminate duplicates Z: 18 23.757 2.057 0.604 0.843 0.941 0.471 CB 1.381 18 residues pruned to eliminate duplicates Z: 38 33.142 2.058 0.723 0.676 0.946 0.568 CA 1.381 38 residues pruned to eliminate duplicates 534 residues left after pruning, divided into chains as follows: A: 11 B: 12 C: 18 D: 16 E: 11 F: 47 G: 13 H: 34 I: 40 J: 127 K: 24 L: 38 M: 121 N: 10 O: 12 CC for partial structure against native data = 39.56 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.387, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.761 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 = 0.562, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 0.565, Connect. = 0.770 for dens.mod. cycle 9 = 0.300, Contrast = 0.567, Connect. = 0.771 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2913 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 669 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 26.663 2.059 0.317 0.934 1.000 0.952 CA 1.496 B: 23 29.425 2.042 0.573 0.917 0.955 0.864 CB 1.443 22 residues pruned to eliminate duplicates C: 23 25.273 2.055 0.342 0.918 1.000 0.773 CA 1.378 D: 10 16.083 2.183 0.418 0.880 0.889 0.778 CB 1.412 E: 20 33.292 2.185 0.574 0.938 1.000 0.895 CB 1.544 20 residues pruned to eliminate duplicates F: 10 11.861 1.908 0.184 0.851 0.889 0.778 CA 1.458 G: 23 38.240 2.082 0.935 0.934 1.000 0.591 CB 1.411 23 residues pruned to eliminate duplicates H: 20 29.092 2.137 0.434 0.921 1.000 0.895 CB 1.533 20 residues pruned to eliminate duplicates I: 19 24.452 2.252 0.298 0.901 0.944 0.611 CA 1.490 J: 21 28.120 2.091 0.404 0.903 1.000 0.900 CA 1.526 21 residues pruned to eliminate duplicates K: 23 36.795 2.013 0.871 0.895 1.000 0.636 CB 1.493 24 residues pruned to eliminate duplicates L: 25 24.542 2.072 0.306 0.916 1.000 0.750 CA 1.308 20 residues pruned to eliminate duplicates M: 11 21.366 1.981 0.801 0.874 0.900 0.600 CB 1.532 N: 24 33.751 2.050 0.712 0.938 1.000 0.913 CB 1.394 23 residues pruned to eliminate duplicates O: 21 27.782 2.095 0.549 0.923 1.000 0.850 CB 1.346 22 residues pruned to eliminate duplicates P: 23 27.180 2.172 0.402 0.885 1.000 0.591 CA 1.374 24 residues pruned to eliminate duplicates Q: 17 19.691 2.046 0.300 0.893 1.000 0.688 CB 1.329 R: 19 23.942 2.140 0.514 0.936 1.000 0.833 CB 1.213 S: 6 13.529 2.288 0.188 0.872 1.000 0.800 CA 1.622 T: 21 33.947 2.119 0.604 0.926 1.000 0.900 CA 1.567 21 residues pruned to eliminate duplicates U: 12 22.140 1.846 0.888 0.836 1.000 0.727 CA 1.434 12 residues pruned to eliminate duplicates V: 11 17.595 2.187 0.512 0.860 1.000 0.900 CB 1.237 W: 11 11.800 1.823 0.085 0.865 1.000 0.800 CB 1.382 10 residues pruned to eliminate duplicates X: 11 25.053 1.981 0.944 0.856 1.000 0.400 CB 1.517 11 residues pruned to eliminate duplicates Y: 11 13.487 1.803 0.316 0.824 1.000 0.700 CA 1.357 11 residues pruned to eliminate duplicates Z: 10 12.373 1.854 0.312 0.759 1.000 0.667 CA 1.347 10 residues pruned to eliminate duplicates Z: 10 12.202 1.906 0.313 0.804 0.889 0.778 CB 1.402 10 residues pruned to eliminate duplicates Z: 11 9.922 1.769 0.588 0.801 1.000 0.600 CA 0.858 6 residues pruned to eliminate duplicates Z: 23 28.756 2.100 0.459 0.913 1.000 0.818 CB 1.416 23 residues pruned to eliminate duplicates Z: 19 20.675 1.904 0.295 0.897 1.000 0.667 CB 1.415 Z: 17 26.314 2.038 0.863 0.912 0.938 0.812 CB 1.309 17 residues pruned to eliminate duplicates Z: 22 21.058 2.097 0.254 0.910 0.952 0.714 CA 1.302 22 residues pruned to eliminate duplicates Z: 14 27.521 1.970 1.110 0.881 0.923 0.615 CB 1.440 Z: 13 23.098 1.977 0.673 0.903 1.000 0.917 CA 1.437 Z: 15 17.058 2.139 0.417 0.896 1.000 0.500 CB 1.077 15 residues pruned to eliminate duplicates Z: 17 22.757 2.064 0.598 0.888 0.938 0.750 CB 1.326 17 residues pruned to eliminate duplicates Z: 20 35.542 2.190 0.738 0.933 0.947 0.789 CB 1.578 20 residues pruned to eliminate duplicates Z: 12 21.482 2.112 0.625 0.908 0.909 0.909 CB 1.475 Z: 17 21.310 1.990 0.661 0.856 1.000 0.562 CB 1.189 11 residues pruned to eliminate duplicates Z: 13 21.609 2.095 0.517 0.902 1.000 0.750 CB 1.400 13 residues pruned to eliminate duplicates Z: 18 20.824 1.973 0.456 0.871 1.000 0.765 CB 1.282 18 residues pruned to eliminate duplicates Z: 7 11.705 2.107 0.313 0.800 1.000 0.500 CB 1.329 Z: 22 24.028 1.944 0.431 0.939 1.000 1.000 CA 1.309 22 residues pruned to eliminate duplicates Z: 23 22.792 2.072 0.371 0.923 0.955 0.955 CB 1.259 20 residues pruned to eliminate duplicates Z: 23 31.935 2.048 0.780 0.940 1.000 0.682 CB 1.296 22 residues pruned to eliminate duplicates Z: 13 26.216 2.035 0.652 0.933 1.000 0.917 CA 1.572 13 residues pruned to eliminate duplicates Z: 7 10.563 1.924 0.550 0.865 1.000 0.833 CB 1.060 Z: 12 25.673 1.854 1.110 0.889 1.000 0.636 CA 1.425 11 residues pruned to eliminate duplicates Z: 14 13.517 1.816 0.484 0.523 0.923 0.462 CB 1.473 Z: 15 22.877 1.983 0.648 0.901 1.000 1.000 CB 1.336 Z: 16 18.276 2.069 0.394 0.906 0.867 0.600 CB 1.343 17 residues pruned to eliminate duplicates Z: 23 35.448 2.083 0.856 0.934 1.000 0.818 CB 1.363 24 residues pruned to eliminate duplicates Z: 18 19.846 1.987 0.310 0.923 0.941 0.588 CB 1.380 18 residues pruned to eliminate duplicates Z: 17 17.871 2.051 0.482 0.816 0.875 0.688 CB 1.277 17 residues pruned to eliminate duplicates Z: 11 16.974 2.151 0.602 0.799 0.900 0.500 CA 1.332 10 residues pruned to eliminate duplicates Z: 12 20.980 2.032 0.502 0.905 1.000 1.000 CA 1.475 12 residues pruned to eliminate duplicates Z: 35 30.913 2.088 0.607 0.586 0.941 0.647 CB 1.547 28 residues pruned to eliminate duplicates Z: 7 7.926 1.806 0.492 0.889 1.000 0.667 CB 0.865 7 residues pruned to eliminate duplicates Z: 21 32.753 2.093 0.711 0.876 1.000 0.750 CB 1.486 21 residues pruned to eliminate duplicates Z: 22 34.950 2.114 0.692 0.934 1.000 0.810 CB 1.487 22 residues pruned to eliminate duplicates Z: 11 23.464 2.217 0.897 0.911 1.000 0.800 CB 1.250 11 residues pruned to eliminate duplicates Z: 14 13.216 2.046 0.580 0.719 0.769 0.462 CB 1.209 14 residues pruned to eliminate duplicates Z: 13 18.832 1.975 0.438 0.912 1.000 0.917 CA 1.356 13 residues pruned to eliminate duplicates Z: 8 14.861 2.020 0.623 0.798 1.000 0.857 CA 1.320 10 residues pruned to eliminate duplicates Z: 23 34.913 2.124 0.849 0.883 0.955 0.773 CB 1.435 23 residues pruned to eliminate duplicates Z: 18 20.638 1.919 0.396 0.867 1.000 0.824 CB 1.366 18 residues pruned to eliminate duplicates Z: 14 24.983 2.070 0.770 0.918 1.000 0.615 CA 1.333 Z: 14 19.362 1.947 0.555 0.912 0.923 0.846 CB 1.362 14 residues pruned to eliminate duplicates Z: 21 35.234 2.080 0.995 0.948 0.950 0.600 CB 1.381 22 residues pruned to eliminate duplicates Z: 23 36.583 2.126 0.953 0.920 1.000 0.500 CB 1.323 23 residues pruned to eliminate duplicates Z: 9 9.471 2.076 0.262 0.856 0.875 0.625 CA 1.077 9 residues pruned to eliminate duplicates Z: 14 18.996 2.045 0.643 0.884 0.846 0.692 CB 1.339 14 residues pruned to eliminate duplicates Z: 20 23.088 1.834 0.510 0.902 1.000 0.684 CA 1.365 18 residues pruned to eliminate duplicates Z: 24 26.034 2.128 0.391 0.891 0.957 0.565 CA 1.379 24 residues pruned to eliminate duplicates Z: 23 26.010 2.124 0.499 0.895 0.909 0.864 CB 1.374 23 residues pruned to eliminate duplicates Z: 16 25.136 2.083 0.527 0.904 1.000 1.000 CB 1.453 16 residues pruned to eliminate duplicates Z: 13 19.951 1.989 0.395 0.891 1.000 0.833 CA 1.493 13 residues pruned to eliminate duplicates Z: 15 18.218 2.086 0.536 0.805 0.857 0.714 CB 1.359 16 residues pruned to eliminate duplicates Z: 19 21.760 1.911 0.560 0.832 0.944 0.500 CB 1.367 20 residues pruned to eliminate duplicates Z: 26 16.633 1.763 0.265 0.544 1.000 0.640 CB 1.429 Z: 10 13.985 1.849 0.304 0.873 1.000 0.667 CB 1.407 Z: 23 34.354 2.116 0.770 0.923 1.000 0.727 CB 1.373 22 residues pruned to eliminate duplicates Z: 18 23.371 1.989 0.638 0.893 1.000 0.706 CB 1.248 18 residues pruned to eliminate duplicates Z: 23 27.444 2.129 0.454 0.932 0.955 0.591 CB 1.382 23 residues pruned to eliminate duplicates Z: 12 21.268 2.101 0.598 0.905 1.000 0.818 CA 1.359 12 residues pruned to eliminate duplicates Z: 12 28.225 2.231 0.837 0.919 1.000 0.818 CB 1.464 12 residues pruned to eliminate duplicates Z: 11 20.331 1.958 1.006 0.847 0.800 0.500 CB 1.519 Z: 13 23.430 2.092 0.884 0.832 0.917 0.667 CB 1.406 13 residues pruned to eliminate duplicates Z: 9 12.855 2.042 0.385 0.821 0.875 0.375 CA 1.390 9 residues pruned to eliminate duplicates Z: 22 29.916 2.133 0.629 0.938 0.952 0.762 CB 1.372 22 residues pruned to eliminate duplicates Z: 12 21.069 2.065 0.517 0.890 1.000 0.909 CA 1.459 12 residues pruned to eliminate duplicates Z: 14 18.739 2.006 0.496 0.926 1.000 0.846 CA 1.215 13 residues pruned to eliminate duplicates Z: 15 16.992 1.928 0.441 0.859 0.929 0.929 CA 1.296 15 residues pruned to eliminate duplicates Z: 18 16.622 1.892 0.263 0.846 0.882 0.706 CB 1.421 18 residues pruned to eliminate duplicates Z: 12 10.401 1.803 0.470 0.446 1.000 0.909 CB 1.251 Z: 17 22.842 2.043 0.533 0.897 0.938 0.750 CB 1.392 18 residues pruned to eliminate duplicates Z: 9 8.418 2.020 0.065 0.848 1.000 0.625 CA 1.026 9 residues pruned to eliminate duplicates Z: 10 15.368 1.879 0.409 0.883 1.000 0.778 CB 1.399 10 residues pruned to eliminate duplicates Z: 9 21.507 2.298 0.774 0.893 1.000 0.750 CB 1.338 9 residues pruned to eliminate duplicates Z: 22 28.430 2.103 0.628 0.948 1.000 0.905 CB 1.251 22 residues pruned to eliminate duplicates Z: 13 9.768 1.679 0.552 0.475 1.000 0.917 CB 1.110 13 residues pruned to eliminate duplicates Z: 13 23.333 2.089 0.716 0.919 1.000 0.833 CB 1.325 13 residues pruned to eliminate duplicates Z: 23 29.600 2.167 0.480 0.907 0.955 0.636 CA 1.465 23 residues pruned to eliminate duplicates Z: 8 14.068 2.078 0.522 0.832 0.857 0.429 CB 1.472 7 residues pruned to eliminate duplicates Z: 16 19.249 1.956 0.398 0.904 1.000 0.733 CB 1.295 16 residues pruned to eliminate duplicates Z: 22 33.445 2.080 0.731 0.928 1.000 0.762 CB 1.419 22 residues pruned to eliminate duplicates Z: 78 40.709 2.010 0.566 0.668 0.922 0.597 CB 1.369 66 residues pruned to eliminate duplicates Z: 24 25.704 2.040 0.568 0.910 0.957 0.739 CB 1.242 23 residues pruned to eliminate duplicates Z: 14 19.334 2.055 0.438 0.917 1.000 0.692 CA 1.280 14 residues pruned to eliminate duplicates Z: 22 35.755 2.126 0.899 0.927 1.000 0.667 CB 1.354 22 residues pruned to eliminate duplicates Z: 21 38.245 2.101 0.838 0.916 1.000 0.700 CB 1.564 21 residues pruned to eliminate duplicates Z: 13 23.101 2.116 0.628 0.925 1.000 0.750 CB 1.358 13 residues pruned to eliminate duplicates Z: 10 12.331 1.760 0.394 0.880 0.889 0.778 CB 1.366 10 residues pruned to eliminate duplicates Z: 15 16.625 1.768 0.640 0.891 1.000 0.857 CA 1.101 15 residues pruned to eliminate duplicates Z: 9 9.001 1.796 -0.006 0.814 1.000 0.750 CA 1.357 8 residues pruned to eliminate duplicates Z: 25 15.667 2.032 0.428 0.484 0.833 0.542 CB 1.345 8 residues pruned to eliminate duplicates Z: 18 15.878 1.932 0.276 0.870 0.941 0.529 CB 1.212 18 residues pruned to eliminate duplicates Z: 16 20.874 2.069 0.452 0.874 1.000 0.733 CB 1.306 15 residues pruned to eliminate duplicates Z: 18 15.616 1.872 0.590 0.726 0.882 0.647 CB 1.176 16 residues pruned to eliminate duplicates Z: 6 8.784 1.785 0.616 0.861 1.000 0.800 CB 1.001 6 residues pruned to eliminate duplicates Z: 33 21.984 1.927 0.742 0.639 0.906 0.500 CB 1.121 16 residues pruned to eliminate duplicates Z: 11 18.522 1.948 0.567 0.854 1.000 0.800 CA 1.417 Z: 8 8.143 1.707 0.385 0.901 1.000 0.857 CB 0.930 8 residues pruned to eliminate duplicates Z: 18 12.246 1.882 0.667 0.585 0.765 0.471 CB 1.141 Z: 11 26.224 2.047 0.908 0.898 1.000 0.800 CA 1.519 10 residues pruned to eliminate duplicates Z: 21 39.613 2.116 0.995 0.931 1.000 0.650 CB 1.467 21 residues pruned to eliminate duplicates Z: 12 21.335 1.926 0.926 0.912 1.000 0.636 CA 1.228 11 residues pruned to eliminate duplicates Z: 9 10.022 1.561 0.666 0.526 1.000 0.625 CB 1.327 9 residues pruned to eliminate duplicates Z: 19 22.104 2.126 0.271 0.911 1.000 0.778 CA 1.366 19 residues pruned to eliminate duplicates Z: 21 37.380 2.124 0.863 0.933 1.000 0.600 CB 1.474 21 residues pruned to eliminate duplicates Z: 14 20.623 1.922 0.550 0.893 1.000 0.923 CA 1.378 14 residues pruned to eliminate duplicates Z: 16 22.873 1.933 0.771 0.870 1.000 0.867 CB 1.260 15 residues pruned to eliminate duplicates Z: 17 17.606 2.042 0.320 0.855 0.938 0.625 CB 1.286 17 residues pruned to eliminate duplicates Z: 19 27.623 2.172 0.826 0.606 1.000 0.611 CA 1.485 23 residues pruned to eliminate duplicates Z: 10 27.374 2.108 0.913 0.925 1.000 0.889 CA 1.589 10 residues pruned to eliminate duplicates Z: 22 31.376 2.031 0.721 0.918 1.000 1.000 CB 1.381 22 residues pruned to eliminate duplicates Z: 11 13.631 1.720 0.439 0.872 1.000 0.900 CA 1.270 10 residues pruned to eliminate duplicates Z: 25 18.250 2.026 0.580 0.532 0.792 0.583 CB 1.423 25 residues pruned to eliminate duplicates Z: 10 14.303 2.053 0.400 0.891 0.889 0.667 CB 1.341 10 residues pruned to eliminate duplicates Z: 9 9.294 1.891 0.161 0.882 1.000 0.875 CB 1.083 Z: 14 14.074 1.926 0.689 0.776 0.923 0.538 CB 1.019 14 residues pruned to eliminate duplicates Z: 13 26.613 1.969 1.023 0.869 1.000 0.583 CB 1.409 13 residues pruned to eliminate duplicates Z: 12 27.523 1.982 0.995 0.929 1.000 0.909 CA 1.469 12 residues pruned to eliminate duplicates Z: 23 25.640 2.060 0.552 0.894 1.000 0.818 CB 1.226 23 residues pruned to eliminate duplicates Z: 13 18.177 1.875 0.654 0.856 1.000 0.417 CA 1.248 13 residues pruned to eliminate duplicates Z: 43 32.197 2.064 0.436 0.725 0.976 0.714 CB 1.402 33 residues pruned to eliminate duplicates Z: 11 8.090 1.752 0.456 0.375 0.900 0.600 CA 1.274 Z: 22 21.516 2.105 0.368 0.931 1.000 0.857 CB 1.139 22 residues pruned to eliminate duplicates Z: 53 34.704 2.011 0.535 0.711 0.962 0.692 CB 1.338 53 residues pruned to eliminate duplicates Z: 9 9.948 1.680 0.150 0.889 1.000 0.875 CB 1.310 Z: 19 23.218 2.120 0.672 0.644 0.944 0.778 CA 1.429 19 residues pruned to eliminate duplicates Z: 10 14.863 1.961 0.404 0.785 1.000 0.556 CA 1.400 10 residues pruned to eliminate duplicates Z: 47 25.357 1.998 0.497 0.541 0.826 0.500 CA 1.453 39 residues pruned to eliminate duplicates Z: 6 8.882 2.008 0.629 0.471 1.000 0.800 CA 1.251 Z: 23 36.976 2.046 0.988 0.934 1.000 0.500 CB 1.352 23 residues pruned to eliminate duplicates Z: 6 5.300 1.798 0.517 0.386 0.800 0.400 CB 1.227 6 residues pruned to eliminate duplicates Z: 8 11.145 1.985 0.324 0.849 1.000 0.714 CB 1.188 8 residues pruned to eliminate duplicates Z: 13 14.321 1.950 0.157 0.878 1.000 0.833 CA 1.329 13 residues pruned to eliminate duplicates Z: 49 24.774 1.956 0.337 0.679 0.958 0.583 CB 1.210 49 residues pruned to eliminate duplicates Z: 12 28.063 2.067 1.049 0.896 1.000 0.818 CA 1.431 12 residues pruned to eliminate duplicates Z: 23 25.593 2.149 0.358 0.899 0.955 0.500 CB 1.400 23 residues pruned to eliminate duplicates Z: 20 18.257 1.774 0.441 0.867 0.947 0.684 CB 1.265 20 residues pruned to eliminate duplicates Z: 15 16.173 1.898 0.448 0.897 0.929 0.786 CA 1.212 15 residues pruned to eliminate duplicates Z: 13 15.343 2.010 0.293 0.904 0.917 0.833 CB 1.325 13 residues pruned to eliminate duplicates Z: 13 7.543 1.694 0.299 0.335 0.917 0.667 CB 1.293 13 residues pruned to eliminate duplicates Z: 6 10.894 2.160 0.286 0.861 1.000 0.400 CB 1.289 6 residues pruned to eliminate duplicates Z: 16 18.436 2.039 0.141 0.898 1.000 0.867 CA 1.463 16 residues pruned to eliminate duplicates Z: 11 13.710 1.765 0.476 0.876 1.000 0.800 CA 1.210 11 residues pruned to eliminate duplicates Z: 13 28.174 2.181 0.886 0.911 1.000 0.750 CB 1.402 14 residues pruned to eliminate duplicates Z: 16 10.287 1.833 0.475 0.542 0.933 0.800 CB 1.010 16 residues pruned to eliminate duplicates Z: 14 20.656 2.052 0.588 0.885 1.000 0.769 CA 1.270 14 residues pruned to eliminate duplicates Z: 6 9.972 1.663 0.499 0.863 1.000 0.600 CA 1.313 6 residues pruned to eliminate duplicates Z: 26 19.282 1.903 0.416 0.741 0.920 0.720 CB 1.254 25 residues pruned to eliminate duplicates Z: 24 16.969 1.765 0.348 0.579 0.957 0.696 CA 1.440 26 residues pruned to eliminate duplicates Z: 34 18.641 1.921 0.445 0.524 0.879 0.545 CB 1.300 34 residues pruned to eliminate duplicates Z: 71 35.676 2.057 0.503 0.675 0.886 0.600 CB 1.326 71 residues pruned to eliminate duplicates Z: 23 26.729 2.070 0.504 0.900 1.000 0.818 CA 1.308 23 residues pruned to eliminate duplicates Z: 26 21.316 2.032 0.559 0.597 0.840 0.440 CB 1.461 25 residues pruned to eliminate duplicates Z: 24 30.407 2.137 0.562 0.928 0.957 0.826 CA 1.391 23 residues pruned to eliminate duplicates Z: 9 15.790 1.941 0.669 0.876 1.000 0.750 CB 1.253 9 residues pruned to eliminate duplicates Z: 17 24.876 2.038 0.750 0.924 1.000 0.750 CB 1.225 17 residues pruned to eliminate duplicates Z: 24 30.085 2.132 0.540 0.929 1.000 0.652 CB 1.337 24 residues pruned to eliminate duplicates Z: 10 11.504 1.717 0.331 0.842 0.889 0.667 CB 1.406 10 residues pruned to eliminate duplicates Z: 15 23.105 1.937 0.863 0.881 0.929 0.643 CA 1.334 14 residues pruned to eliminate duplicates Z: 12 11.350 1.789 0.456 0.800 0.909 0.909 CB 1.112 12 residues pruned to eliminate duplicates Z: 7 5.805 1.600 0.095 0.860 1.000 1.000 CB 0.995 7 residues pruned to eliminate duplicates Z: 10 18.992 1.828 0.757 0.892 1.000 0.556 CA 1.416 10 residues pruned to eliminate duplicates Z: 6 5.638 1.658 0.197 0.600 1.000 0.600 CB 1.155 Z: 15 6.913 1.729 0.337 0.381 0.929 0.571 CB 0.977 11 residues pruned to eliminate duplicates Z: 21 27.014 2.156 0.564 0.920 1.000 0.550 CB 1.262 21 residues pruned to eliminate duplicates Z: 11 20.871 1.884 0.978 0.897 1.000 0.900 CB 1.268 11 residues pruned to eliminate duplicates Z: 12 15.608 2.014 0.457 0.894 0.909 0.909 CB 1.265 12 residues pruned to eliminate duplicates Z: 8 10.173 1.817 0.277 0.874 1.000 0.857 CB 1.206 Z: 9 9.711 1.693 0.443 0.853 1.000 0.875 CB 1.039 9 residues pruned to eliminate duplicates Z: 9 10.032 1.760 0.382 0.897 1.000 0.500 CB 1.044 9 residues pruned to eliminate duplicates Z: 11 5.874 1.466 -0.065 0.796 1.000 0.600 CB 1.046 11 residues pruned to eliminate duplicates Z: 14 22.069 2.072 0.847 0.901 0.846 0.231 CB 1.349 14 residues pruned to eliminate duplicates Z: 10 12.020 1.905 0.338 0.822 1.000 0.778 CB 1.190 10 residues pruned to eliminate duplicates Z: 22 29.967 2.119 0.766 0.928 1.000 0.810 CB 1.224 21 residues pruned to eliminate duplicates Z: 7 5.796 1.847 -0.065 0.616 0.833 0.667 CB 1.472 Z: 14 16.091 1.998 0.299 0.910 1.000 0.846 CA 1.219 14 residues pruned to eliminate duplicates Z: 10 12.975 1.917 0.210 0.810 1.000 0.667 CA 1.423 10 residues pruned to eliminate duplicates Z: 9 9.058 1.956 -0.051 0.879 1.000 0.625 CB 1.252 9 residues pruned to eliminate duplicates Z: 10 4.649 1.938 0.424 0.197 0.778 0.556 CB 1.035 Z: 24 26.436 2.120 0.379 0.905 0.957 0.913 CA 1.403 24 residues pruned to eliminate duplicates Z: 12 19.582 1.981 0.586 0.900 1.000 0.909 CA 1.342 12 residues pruned to eliminate duplicates Z: 24 25.729 2.078 0.629 0.902 0.957 0.696 CB 1.182 24 residues pruned to eliminate duplicates Z: 23 12.125 1.927 0.489 0.377 0.818 0.455 CB 1.255 23 residues pruned to eliminate duplicates Z: 9 8.625 1.900 0.019 0.872 1.000 0.750 CB 1.148 9 residues pruned to eliminate duplicates Z: 21 37.795 2.078 1.047 0.951 1.000 0.600 CB 1.370 21 residues pruned to eliminate duplicates Z: 17 15.576 1.919 0.548 0.709 0.938 0.812 CA 1.156 17 residues pruned to eliminate duplicates Z: 49 34.313 1.970 0.691 0.713 0.938 0.396 CB 1.307 45 residues pruned to eliminate duplicates Z: 9 5.824 1.715 0.436 0.842 0.625 0.250 CB 0.996 9 residues pruned to eliminate duplicates Z: 47 32.823 1.938 0.607 0.752 0.957 0.609 CB 1.298 44 residues pruned to eliminate duplicates Z: 19 14.150 2.075 0.363 0.510 0.833 0.500 CA 1.401 19 residues pruned to eliminate duplicates Z: 23 26.679 2.059 0.558 0.913 0.955 0.909 CB 1.314 23 residues pruned to eliminate duplicates Z: 8 6.162 2.116 -0.287 0.902 1.000 1.000 CB 1.100 8 residues pruned to eliminate duplicates Z: 14 23.234 2.028 0.734 0.910 1.000 0.769 CB 1.300 14 residues pruned to eliminate duplicates Z: 17 19.254 2.139 0.265 0.883 0.938 0.688 CB 1.371 17 residues pruned to eliminate duplicates 6 1.723 1.267 0.257 0.428 0.600 0.400 CA 0.869 ? Z: 23 27.241 2.055 0.735 0.875 0.955 0.545 CB 1.241 23 residues pruned to eliminate duplicates Z: 18 12.577 1.782 0.282 0.620 0.941 0.706 CB 1.266 7 residues pruned to eliminate duplicates Z: 18 20.993 1.905 0.596 0.886 0.941 0.647 CB 1.284 18 residues pruned to eliminate duplicates Z: 23 27.604 2.138 0.454 0.899 1.000 0.727 CA 1.354 23 residues pruned to eliminate duplicates Z: 12 25.815 1.983 0.905 0.921 1.000 0.727 CB 1.450 12 residues pruned to eliminate duplicates Z: 14 19.217 2.126 0.476 0.897 1.000 0.615 CB 1.215 14 residues pruned to eliminate duplicates Z: 22 36.301 2.074 0.922 0.951 1.000 0.619 CB 1.369 22 residues pruned to eliminate duplicates Z: 17 20.556 2.115 0.680 0.575 0.938 0.625 CB 1.435 17 residues pruned to eliminate duplicates Z: 20 17.654 2.000 0.189 0.775 0.947 0.789 CB 1.411 20 residues pruned to eliminate duplicates Z: 18 35.345 2.172 0.779 0.906 1.000 0.588 CA 1.578 18 residues pruned to eliminate duplicates Z: 18 16.716 1.952 0.696 0.590 0.941 0.471 CB 1.194 18 residues pruned to eliminate duplicates Z: 12 13.387 1.827 0.484 0.831 0.909 0.818 CA 1.231 12 residues pruned to eliminate duplicates Z: 10 18.304 2.057 0.861 0.538 1.000 0.667 CA 1.536 10 residues pruned to eliminate duplicates Z: 8 15.933 1.955 0.590 0.880 1.000 0.571 CA 1.404 8 residues pruned to eliminate duplicates Z: 14 23.849 1.973 0.678 0.927 1.000 0.769 CB 1.400 14 residues pruned to eliminate duplicates Z: 18 20.342 2.042 0.442 0.850 0.941 0.588 CB 1.319 18 residues pruned to eliminate duplicates Z: 10 13.225 1.629 0.505 0.873 1.000 0.667 CA 1.310 10 residues pruned to eliminate duplicates Z: 9 7.692 1.743 0.372 0.789 1.000 0.750 CB 0.882 9 residues pruned to eliminate duplicates Z: 24 20.390 2.027 0.276 0.920 0.957 0.739 CA 1.211 24 residues pruned to eliminate duplicates Z: 9 4.692 1.662 0.267 0.475 0.625 0.250 CB 1.294 9 residues pruned to eliminate duplicates Z: 8 12.026 1.963 0.370 0.856 1.000 0.714 CA 1.247 8 residues pruned to eliminate duplicates Z: 18 23.329 2.011 0.475 0.899 1.000 0.529 CB 1.363 18 residues pruned to eliminate duplicates Z: 16 20.236 1.973 0.394 0.865 0.933 0.867 CA 1.491 16 residues pruned to eliminate duplicates Z: 9 9.500 1.733 0.392 0.882 1.000 0.625 CB 1.008 9 residues pruned to eliminate duplicates Z: 21 34.763 2.106 0.856 0.928 0.950 0.550 CB 1.466 21 residues pruned to eliminate duplicates Z: 13 33.001 2.063 1.244 0.935 1.000 0.500 CA 1.434 13 residues pruned to eliminate duplicates Z: 11 15.050 1.738 0.470 0.892 1.000 0.900 CA 1.339 11 residues pruned to eliminate duplicates Z: 6 6.998 1.650 0.521 0.746 0.800 0.600 CA 1.251 6 residues pruned to eliminate duplicates Z: 14 24.759 2.108 0.645 0.927 1.000 0.615 CB 1.387 14 residues pruned to eliminate duplicates Z: 19 19.485 1.857 0.600 0.732 0.944 0.778 CB 1.328 19 residues pruned to eliminate duplicates Z: 17 21.944 2.072 0.513 0.894 1.000 0.812 CB 1.255 17 residues pruned to eliminate duplicates Z: 8 12.106 2.081 0.388 0.849 0.857 0.857 CB 1.370 8 residues pruned to eliminate duplicates Z: 10 15.680 2.049 0.500 0.834 0.889 0.889 CA 1.434 10 residues pruned to eliminate duplicates Z: 17 21.750 1.941 0.693 0.886 1.000 0.688 CB 1.194 17 residues pruned to eliminate duplicates Z: 10 20.262 2.068 0.461 0.922 1.000 0.889 CA 1.572 10 residues pruned to eliminate duplicates Z: 20 17.278 1.992 0.688 0.508 0.895 0.474 CA 1.308 20 residues pruned to eliminate duplicates Z: 38 14.617 1.804 0.372 0.471 0.865 0.541 CB 1.156 38 residues pruned to eliminate duplicates Z: 14 22.845 2.065 0.721 0.908 0.923 0.692 CA 1.372 14 residues pruned to eliminate duplicates Z: 23 23.742 1.971 0.482 0.861 1.000 0.773 CB 1.274 23 residues pruned to eliminate duplicates Z: 9 15.916 2.237 0.506 0.787 1.000 0.750 CB 1.298 9 residues pruned to eliminate duplicates Z: 15 25.414 1.965 1.076 0.895 0.929 0.500 CB 1.286 15 residues pruned to eliminate duplicates Z: 22 25.828 2.061 0.658 0.939 1.000 0.857 CB 1.147 22 residues pruned to eliminate duplicates Z: 24 29.498 2.091 0.561 0.900 1.000 0.739 CA 1.346 24 residues pruned to eliminate duplicates Z: 13 9.404 1.698 0.455 0.422 1.000 0.667 CB 1.191 13 residues pruned to eliminate duplicates Z: 12 28.967 2.034 1.029 0.901 1.000 0.636 CA 1.511 12 residues pruned to eliminate duplicates Z: 25 13.030 1.766 0.441 0.499 0.792 0.500 CB 1.321 25 residues pruned to eliminate duplicates Z: 11 7.047 1.539 0.371 0.787 1.000 0.700 CA 0.821 9 residues pruned to eliminate duplicates Z: 10 11.434 1.660 0.539 0.854 1.000 0.889 CA 1.102 10 residues pruned to eliminate duplicates Z: 14 10.178 1.764 0.776 0.528 0.769 0.692 CB 1.140 14 residues pruned to eliminate duplicates Z: 23 37.722 2.075 1.070 0.904 1.000 0.409 CB 1.333 23 residues pruned to eliminate duplicates Z: 12 13.656 1.809 0.673 0.720 0.909 0.545 CA 1.227 12 residues pruned to eliminate duplicates Z: 45 31.306 2.032 0.483 0.704 0.932 0.477 CA 1.397 45 residues pruned to eliminate duplicates Z: 6 9.489 1.828 0.698 0.874 1.000 0.800 CA 0.995 6 residues pruned to eliminate duplicates Z: 10 20.133 2.042 0.560 0.905 1.000 0.778 CA 1.499 10 residues pruned to eliminate duplicates Z: 21 23.785 2.121 0.408 0.910 1.000 0.800 CB 1.263 21 residues pruned to eliminate duplicates Z: 28 16.187 1.913 0.581 0.649 0.926 0.556 CB 0.968 29 residues pruned to eliminate duplicates Z: 17 20.182 2.056 0.508 0.855 0.938 0.562 CB 1.281 17 residues pruned to eliminate duplicates Z: 23 28.177 2.066 0.619 0.852 0.955 0.591 CA 1.391 23 residues pruned to eliminate duplicates Z: 8 9.497 2.161 0.352 0.835 1.000 0.857 CB 0.921 8 residues pruned to eliminate duplicates Z: 24 23.900 2.041 0.524 0.892 0.957 0.826 CB 1.203 24 residues pruned to eliminate duplicates Z: 10 22.198 2.048 0.754 0.916 1.000 0.778 CA 1.455 10 residues pruned to eliminate duplicates Z: 15 5.358 1.695 0.493 0.277 0.857 0.500 CB 0.850 15 residues pruned to eliminate duplicates Z: 12 20.078 1.734 0.911 0.848 1.000 0.545 CA 1.356 12 residues pruned to eliminate duplicates Z: 9 5.122 1.911 0.208 0.331 0.750 0.625 CA 1.258 9 residues pruned to eliminate duplicates Z: 24 36.244 2.052 0.889 0.896 1.000 0.565 CB 1.396 24 residues pruned to eliminate duplicates Z: 13 6.448 1.800 0.450 0.414 0.583 0.333 CB 1.338 13 residues pruned to eliminate duplicates Z: 16 27.278 1.969 0.870 0.890 1.000 0.800 CB 1.376 16 residues pruned to eliminate duplicates Z: 11 12.095 1.810 0.206 0.888 1.000 1.000 CA 1.262 11 residues pruned to eliminate duplicates Z: 9 13.603 2.091 0.405 0.871 1.000 0.500 CA 1.194 9 residues pruned to eliminate duplicates Z: 28 14.186 1.730 0.431 0.436 0.815 0.556 CA 1.446 28 residues pruned to eliminate duplicates Z: 10 12.814 1.748 0.487 0.844 1.000 0.667 CB 1.222 10 residues pruned to eliminate duplicates Z: 13 21.836 2.021 0.655 0.925 1.000 0.833 CA 1.323 13 residues pruned to eliminate duplicates Z: 7 7.215 1.810 0.244 0.817 1.000 0.500 CB 0.994 7 residues pruned to eliminate duplicates Z: 22 21.169 2.080 0.277 0.915 1.000 0.857 CB 1.228 22 residues pruned to eliminate duplicates Z: 10 11.625 1.906 0.246 0.866 1.000 0.667 CA 1.195 10 residues pruned to eliminate duplicates Z: 12 11.442 1.823 0.299 0.803 0.909 0.364 CB 1.230 12 residues pruned to eliminate duplicates Z: 9 9.223 1.795 0.202 0.846 0.875 0.750 CB 1.283 9 residues pruned to eliminate duplicates Z: 7 4.662 1.555 -0.046 0.791 0.833 0.667 CB 1.193 7 residues pruned to eliminate duplicates Z: 55 35.309 2.052 0.800 0.653 0.852 0.444 CB 1.324 51 residues pruned to eliminate duplicates Z: 19 21.884 2.095 0.828 0.569 0.833 0.556 CA 1.512 19 residues pruned to eliminate duplicates Z: 20 28.979 1.862 0.815 0.878 1.000 0.737 CB 1.427 20 residues pruned to eliminate duplicates Z: 9 3.101 1.438 0.341 0.308 0.625 0.375 CB 1.126 Z: 8 11.379 2.035 0.501 0.661 0.857 0.429 CA 1.414 9 residues pruned to eliminate duplicates Z: 9 19.630 2.197 0.883 0.893 1.000 0.750 CB 1.204 9 residues pruned to eliminate duplicates Z: 40 25.443 1.944 0.678 0.540 0.846 0.359 CA 1.419 40 residues pruned to eliminate duplicates Z: 18 21.103 1.939 0.521 0.903 1.000 0.706 CB 1.237 18 residues pruned to eliminate duplicates Z: 11 8.548 1.738 0.403 0.483 1.000 0.700 CB 1.127 11 residues pruned to eliminate duplicates Z: 8 7.140 1.800 0.688 0.354 0.714 0.714 CB 1.456 12 residues pruned to eliminate duplicates Z: 30 20.677 1.980 0.657 0.569 0.862 0.690 CB 1.270 30 residues pruned to eliminate duplicates Z: 16 22.562 2.080 0.536 0.878 0.933 0.733 CB 1.418 16 residues pruned to eliminate duplicates Z: 76 45.437 2.031 0.794 0.644 0.933 0.507 CB 1.349 76 residues pruned to eliminate duplicates Z: 16 17.038 2.017 0.474 0.737 1.000 0.867 CB 1.196 16 residues pruned to eliminate duplicates Z: 10 17.787 2.015 0.582 0.885 1.000 0.556 CB 1.343 10 residues pruned to eliminate duplicates Z: 6 4.004 1.784 -0.103 0.764 0.800 0.600 CB 1.106 6 residues pruned to eliminate duplicates Z: 19 21.536 1.930 0.547 0.823 0.944 0.444 CB 1.361 19 residues pruned to eliminate duplicates Z: 45 30.250 2.041 0.420 0.678 0.955 0.545 CA 1.399 45 residues pruned to eliminate duplicates Z: 9 9.660 1.775 0.313 0.839 1.000 0.625 CB 1.094 9 residues pruned to eliminate duplicates Z: 23 21.359 2.015 0.385 0.920 1.000 0.955 CB 1.149 23 residues pruned to eliminate duplicates Z: 95 41.067 1.987 0.553 0.610 0.936 0.606 CB 1.321 95 residues pruned to eliminate duplicates Z: 10 10.727 1.711 0.402 0.880 1.000 0.556 CB 1.080 10 residues pruned to eliminate duplicates Z: 9 8.854 1.766 0.109 0.872 1.000 0.875 CB 1.165 18 residues pruned to eliminate duplicates Z: 23 31.980 2.093 0.777 0.913 1.000 0.500 CB 1.297 23 residues pruned to eliminate duplicates Z: 11 19.375 1.912 0.698 0.884 0.900 0.600 CA 1.515 11 residues pruned to eliminate duplicates Z: 18 20.471 1.967 0.509 0.855 0.882 0.588 CB 1.399 18 residues pruned to eliminate duplicates Z: 17 20.354 2.052 0.434 0.875 1.000 0.625 CB 1.258 17 residues pruned to eliminate duplicates Z: 9 11.568 1.677 0.341 0.901 1.000 0.750 CB 1.298 9 residues pruned to eliminate duplicates Z: 10 16.118 1.841 0.582 0.868 1.000 0.556 CB 1.349 10 residues pruned to eliminate duplicates Z: 8 9.453 1.941 0.570 0.773 0.857 0.714 CA 1.074 8 residues pruned to eliminate duplicates Z: 16 24.012 2.110 0.869 0.720 0.933 0.467 CB 1.380 16 residues pruned to eliminate duplicates Z: 19 13.319 1.979 0.398 0.498 0.889 0.444 CB 1.279 19 residues pruned to eliminate duplicates Z: 11 8.301 1.587 0.436 0.589 0.900 0.800 CB 1.175 11 residues pruned to eliminate duplicates Z: 8 11.703 1.917 1.102 0.866 1.000 0.857 CB 0.804 8 residues pruned to eliminate duplicates Z: 11 18.560 2.151 0.799 0.839 1.000 0.600 CB 1.133 11 residues pruned to eliminate duplicates Z: 8 6.668 2.039 0.479 0.262 0.857 0.429 CB 1.280 9 residues pruned to eliminate duplicates Z: 9 6.938 1.862 -0.042 0.828 1.000 0.750 CB 1.035 9 residues pruned to eliminate duplicates Z: 8 3.948 1.685 -0.097 0.781 0.857 0.429 CB 0.893 8 residues pruned to eliminate duplicates Z: 8 3.229 1.500 0.233 0.353 0.714 0.714 CA 1.084 Z: 17 21.706 2.046 0.726 0.892 1.000 0.375 CB 1.104 17 residues pruned to eliminate duplicates Z: 10 4.721 1.672 -0.030 0.404 0.889 0.556 CB 1.207 10 residues pruned to eliminate duplicates Z: 15 21.124 1.947 0.781 0.913 0.929 0.714 CA 1.241 15 residues pruned to eliminate duplicates 7 1.343 1.053 0.172 0.424 0.833 0.500 CA 0.577 ? Z: 160 57.172 2.001 0.637 0.654 0.912 0.535 CB 1.315 159 residues pruned to eliminate duplicates Z: 8 4.017 1.624 -0.106 0.576 1.000 0.714 CB 0.972 Z: 10 14.553 1.767 0.400 0.923 1.000 1.000 CB 1.378 10 residues pruned to eliminate duplicates Z: 12 14.203 2.032 0.922 0.698 0.909 0.636 CB 1.006 12 residues pruned to eliminate duplicates Z: 22 22.002 2.101 0.335 0.934 1.000 0.905 CB 1.193 22 residues pruned to eliminate duplicates Z: 23 27.755 2.085 0.679 0.883 0.955 0.727 CA 1.281 23 residues pruned to eliminate duplicates Z: 11 13.666 1.838 0.575 0.713 1.000 0.800 CB 1.231 11 residues pruned to eliminate duplicates Z: 25 26.566 2.011 0.592 0.901 1.000 0.792 CB 1.210 25 residues pruned to eliminate duplicates Z: 28 18.912 1.719 0.471 0.513 1.000 0.741 CA 1.420 24 residues pruned to eliminate duplicates Z: 24 27.321 2.063 0.482 0.925 1.000 0.826 CA 1.308 24 residues pruned to eliminate duplicates Z: 32 20.985 1.910 0.562 0.656 0.935 0.645 CB 1.168 32 residues pruned to eliminate duplicates Z: 14 18.104 1.926 0.581 0.903 1.000 0.615 CA 1.175 14 residues pruned to eliminate duplicates Z: 10 17.346 1.847 0.828 0.886 1.000 0.778 CB 1.236 10 residues pruned to eliminate duplicates Z: 10 5.049 1.539 0.245 0.491 0.778 0.667 CB 1.140 10 residues pruned to eliminate duplicates Z: 13 20.108 2.107 0.499 0.874 0.917 0.583 CA 1.459 13 residues pruned to eliminate duplicates Z: 22 25.636 1.969 0.662 0.886 1.000 0.714 CB 1.233 21 residues pruned to eliminate duplicates Z: 47 25.425 1.993 0.385 0.676 0.913 0.565 CB 1.264 47 residues pruned to eliminate duplicates Z: 7 10.950 1.922 0.626 0.776 1.000 0.667 CB 1.121 7 residues pruned to eliminate duplicates Z: 11 10.832 1.856 0.435 0.525 1.000 0.700 CA 1.254 11 residues pruned to eliminate duplicates Z: 72 36.735 2.023 0.559 0.603 0.915 0.648 CB 1.369 72 residues pruned to eliminate duplicates Z: 9 7.422 1.868 0.435 0.870 0.750 0.500 CB 0.953 9 residues pruned to eliminate duplicates Z: 11 5.184 1.748 0.142 0.382 1.000 0.700 CB 0.931 8 residues pruned to eliminate duplicates Z: 6 3.235 1.543 -0.159 0.657 0.800 0.800 N 1.205 6 residues pruned to eliminate duplicates Z: 9 5.514 1.506 0.521 0.518 0.750 0.625 CB 1.115 9 residues pruned to eliminate duplicates Z: 9 9.166 1.803 0.076 0.880 1.000 0.875 CB 1.210 9 residues pruned to eliminate duplicates Z: 25 22.338 2.051 0.724 0.517 0.917 0.500 CB 1.383 25 residues pruned to eliminate duplicates 6 1.719 1.735 -0.134 0.748 0.800 0.800 CB 0.513 ? Z: 7 6.820 1.903 0.057 0.888 1.000 1.000 CB 0.998 7 residues pruned to eliminate duplicates Z: 11 13.126 1.732 0.380 0.884 1.000 0.900 CB 1.255 12 residues pruned to eliminate duplicates Z: 6 2.231 1.397 0.410 0.300 0.600 0.400 CA 1.056 Z: 9 10.358 1.807 0.259 0.885 1.000 0.875 CB 1.162 9 residues pruned to eliminate duplicates Z: 7 4.558 1.759 -0.002 0.724 0.667 0.667 CA 1.299 7 residues pruned to eliminate duplicates Z: 6 7.735 1.723 0.562 0.840 1.000 0.600 CB 0.959 6 residues pruned to eliminate duplicates Z: 24 23.163 2.113 0.207 0.876 1.000 0.783 CB 1.377 24 residues pruned to eliminate duplicates Z: 8 8.104 1.853 0.314 0.794 0.857 0.714 CB 1.134 8 residues pruned to eliminate duplicates Z: 20 22.270 2.134 0.464 0.900 0.947 0.737 CA 1.233 20 residues pruned to eliminate duplicates Z: 11 14.862 1.887 0.579 0.763 1.000 0.500 CA 1.249 11 residues pruned to eliminate duplicates Z: 10 10.381 1.789 0.480 0.826 0.889 0.333 CB 1.109 10 residues pruned to eliminate duplicates Z: 9 10.982 1.677 0.619 0.849 0.875 0.750 CB 1.211 9 residues pruned to eliminate duplicates Z: 23 13.207 1.754 0.729 0.384 0.818 0.455 CB 1.284 23 residues pruned to eliminate duplicates Z: 45 38.690 2.108 0.850 0.731 0.932 0.409 CB 1.304 45 residues pruned to eliminate duplicates Z: 6 6.428 1.968 0.216 0.787 0.800 0.400 CB 1.166 6 residues pruned to eliminate duplicates Z: 22 31.502 2.218 0.809 0.661 1.000 0.714 CA 1.475 28 residues pruned to eliminate duplicates Z: 18 21.166 2.015 0.678 0.720 0.941 0.765 CA 1.322 18 residues pruned to eliminate duplicates Z: 7 6.220 1.664 0.369 0.883 1.000 0.833 CB 0.806 7 residues pruned to eliminate duplicates Z: 10 17.797 2.171 0.824 0.853 1.000 0.778 CB 1.107 10 residues pruned to eliminate duplicates Z: 10 20.195 2.009 0.636 0.911 1.000 0.667 CB 1.453 10 residues pruned to eliminate duplicates Z: 12 17.594 1.872 0.975 0.780 0.909 0.636 CA 1.234 12 residues pruned to eliminate duplicates Z: 24 25.707 2.077 0.692 0.903 0.870 0.609 CB 1.250 24 residues pruned to eliminate duplicates Z: 6 4.584 1.608 0.529 0.756 0.800 0.400 CA 0.830 6 residues pruned to eliminate duplicates Z: 9 14.224 1.969 0.446 0.895 1.000 0.875 CB 1.265 9 residues pruned to eliminate duplicates Z: 11 13.704 1.724 0.453 0.900 0.900 0.600 CB 1.372 11 residues pruned to eliminate duplicates Z: 10 7.386 2.007 0.713 0.225 0.778 0.667 CB 1.270 9 residues pruned to eliminate duplicates Z: 19 10.830 1.676 0.642 0.425 0.944 0.444 CB 1.061 19 residues pruned to eliminate duplicates Z: 15 9.167 1.562 0.380 0.619 0.857 0.643 CB 1.185 15 residues pruned to eliminate duplicates Z: 8 3.535 1.445 0.232 0.386 0.714 0.571 O 1.186 Z: 32 19.419 1.963 0.322 0.584 0.871 0.613 CB 1.424 32 residues pruned to eliminate duplicates Z: 12 13.366 1.953 0.412 0.853 0.909 0.727 CA 1.188 12 residues pruned to eliminate duplicates Z: 14 18.342 1.809 0.887 0.880 0.923 0.692 CB 1.170 14 residues pruned to eliminate duplicates Z: 28 19.523 1.923 0.813 0.632 0.815 0.556 CB 1.168 28 residues pruned to eliminate duplicates Z: 19 16.499 2.071 0.355 0.561 0.889 0.389 CA 1.469 19 residues pruned to eliminate duplicates Z: 14 16.942 1.817 0.592 0.929 0.846 0.538 CA 1.343 14 residues pruned to eliminate duplicates Z: 6 3.109 1.435 0.176 0.566 1.000 0.800 CB 0.773 6 residues pruned to eliminate duplicates Z: 14 15.857 1.896 0.770 0.653 0.923 0.538 CB 1.231 14 residues pruned to eliminate duplicates Z: 7 9.815 2.061 0.228 0.852 1.000 0.667 CB 1.171 7 residues pruned to eliminate duplicates Z: 18 24.137 1.975 0.511 0.887 1.000 0.588 CB 1.414 18 residues pruned to eliminate duplicates Z: 16 11.629 1.916 0.520 0.600 0.800 0.467 CB 1.172 16 residues pruned to eliminate duplicates Z: 35 22.506 1.884 0.699 0.694 0.971 0.529 CB 1.040 35 residues pruned to eliminate duplicates Z: 7 6.250 1.725 0.277 0.839 1.000 0.333 CA 0.866 7 residues pruned to eliminate duplicates Z: 23 35.834 2.094 1.030 0.919 0.955 0.500 CB 1.327 23 residues pruned to eliminate duplicates Z: 24 25.211 2.058 0.541 0.896 1.000 0.739 CB 1.187 24 residues pruned to eliminate duplicates Z: 7 6.275 1.751 -0.058 0.844 1.000 1.000 CB 1.155 7 residues pruned to eliminate duplicates Z: 21 21.487 2.105 0.324 0.921 1.000 0.900 CB 1.213 21 residues pruned to eliminate duplicates Z: 11 9.204 1.618 0.183 0.775 0.900 0.500 CA 1.325 11 residues pruned to eliminate duplicates Z: 6 4.471 1.540 0.488 0.638 1.000 0.800 CB 0.766 Z: 8 9.480 1.776 0.193 0.898 1.000 0.714 CB 1.210 8 residues pruned to eliminate duplicates Z: 7 2.173 1.346 0.430 0.491 0.667 0.500 CB 0.697 Z: 13 21.747 2.078 0.901 0.878 0.917 0.333 CB 1.258 13 residues pruned to eliminate duplicates Z: 8 7.709 1.920 0.220 0.398 1.000 1.000 CB 1.386 8 residues pruned to eliminate duplicates Z: 11 14.020 1.767 0.477 0.863 1.000 0.500 CB 1.247 11 residues pruned to eliminate duplicates Z: 9 6.458 1.780 -0.130 0.830 1.000 0.875 CB 1.108 9 residues pruned to eliminate duplicates Z: 13 20.197 1.946 0.729 0.883 1.000 0.917 CA 1.252 13 residues pruned to eliminate duplicates Z: 24 32.907 2.132 0.716 0.851 0.957 0.609 CB 1.452 24 residues pruned to eliminate duplicates Z: 11 12.296 1.725 0.378 0.906 0.900 0.500 CB 1.292 11 residues pruned to eliminate duplicates Z: 7 3.392 1.524 0.138 0.170 1.000 0.833 CB 1.191 Z: 25 32.341 2.069 0.661 0.908 0.958 0.375 CA 1.424 25 residues pruned to eliminate duplicates Z: 56 35.039 2.062 0.519 0.679 0.927 0.691 CB 1.380 56 residues pruned to eliminate duplicates Z: 31 22.111 1.773 0.459 0.631 0.967 0.867 CA 1.427 31 residues pruned to eliminate duplicates Z: 28 18.464 1.980 0.338 0.635 0.963 0.630 CA 1.228 30 residues pruned to eliminate duplicates 7 1.982 1.687 0.021 0.249 0.667 0.333 CB 0.941 ? Z: 15 18.309 1.904 0.575 0.897 1.000 0.714 CA 1.168 15 residues pruned to eliminate duplicates Z: 8 8.655 1.910 0.353 0.414 1.000 0.714 CB 1.385 8 residues pruned to eliminate duplicates Z: 14 19.639 2.162 0.572 0.868 0.923 0.846 CA 1.269 14 residues pruned to eliminate duplicates Z: 11 13.855 1.888 0.585 0.791 0.900 0.400 CA 1.260 11 residues pruned to eliminate duplicates Z: 11 19.656 1.881 0.683 0.874 1.000 0.900 CA 1.429 11 residues pruned to eliminate duplicates Z: 21 27.760 2.152 0.590 0.908 0.950 0.400 CA 1.356 21 residues pruned to eliminate duplicates Z: 8 3.619 1.435 0.097 0.555 0.857 0.571 CB 0.962 Z: 11 14.349 1.693 0.626 0.789 1.000 0.500 CB 1.278 11 residues pruned to eliminate duplicates Z: 23 22.069 2.104 0.251 0.908 0.955 0.727 CA 1.330 23 residues pruned to eliminate duplicates Z: 10 7.123 1.475 0.250 0.772 0.889 0.667 CB 1.140 10 residues pruned to eliminate duplicates Z: 8 4.887 1.200 0.514 0.787 1.000 0.429 CB 0.789 Z: 12 12.572 1.866 0.588 0.732 0.909 0.545 CB 1.142 12 residues pruned to eliminate duplicates Z: 13 20.367 2.116 0.937 0.896 0.917 0.333 CB 1.121 13 residues pruned to eliminate duplicates Z: 6 3.627 1.475 0.257 0.434 0.800 0.600 CB 1.171 Z: 9 11.326 1.701 0.317 0.893 1.000 0.750 CB 1.283 9 residues pruned to eliminate duplicates 6 1.390 1.176 -0.185 0.298 1.000 1.000 C 0.812 ? Z: 9 6.370 1.662 0.228 0.716 0.875 0.375 CB 1.037 9 residues pruned to eliminate duplicates Z: 6 7.153 1.732 0.573 0.677 0.800 0.800 CA 1.247 6 residues pruned to eliminate duplicates 7 1.704 1.255 0.249 0.277 0.833 0.667 CB 0.686 ? Z: 6 3.777 1.482 0.575 0.225 1.000 0.400 N 0.999 Z: 6 3.916 1.521 0.240 0.591 0.800 0.600 CA 1.063 Z: 10 11.997 1.643 0.486 0.885 1.000 1.000 CB 1.183 10 residues pruned to eliminate duplicates Z: 11 19.891 2.099 0.582 0.906 1.000 0.800 CA 1.348 11 residues pruned to eliminate duplicates Z: 10 10.881 1.819 0.316 0.857 1.000 0.778 CB 1.117 10 residues pruned to eliminate duplicates Z: 7 8.830 1.972 0.109 0.900 1.000 1.000 CA 1.177 7 residues pruned to eliminate duplicates Z: 19 17.541 2.054 0.370 0.641 0.889 0.611 CA 1.449 19 residues pruned to eliminate duplicates Z: 9 12.051 1.742 0.378 0.821 1.000 0.500 CA 1.343 9 residues pruned to eliminate duplicates Z: 17 23.957 2.093 0.609 0.916 0.938 0.125 CB 1.340 17 residues pruned to eliminate duplicates Z: 10 9.863 1.784 0.380 0.544 0.889 0.556 CB 1.438 10 residues pruned to eliminate duplicates Z: 11 6.300 1.841 0.152 0.497 0.900 0.700 CB 1.047 11 residues pruned to eliminate duplicates Z: 18 15.012 2.137 0.422 0.530 0.882 0.765 CA 1.319 18 residues pruned to eliminate duplicates Z: 23 26.566 2.141 0.373 0.889 1.000 0.591 CA 1.387 23 residues pruned to eliminate duplicates Z: 8 5.364 1.510 0.264 0.746 1.000 0.714 CB 0.853 8 residues pruned to eliminate duplicates Z: 7 3.496 1.469 0.471 0.394 0.667 0.500 CB 1.108 7 residues pruned to eliminate duplicates Z: 8 12.300 1.656 0.797 0.877 1.000 0.714 CB 1.135 8 residues pruned to eliminate duplicates Z: 6 6.483 1.675 0.452 0.516 1.000 0.400 CB 1.174 6 residues pruned to eliminate duplicates Z: 7 8.331 1.545 1.032 0.737 1.000 0.833 CB 0.875 Z: 10 11.549 1.732 0.377 0.819 1.000 0.667 CA 1.224 10 residues pruned to eliminate duplicates Z: 18 17.471 1.978 0.311 0.796 1.000 0.824 CA 1.261 18 residues pruned to eliminate duplicates Z: 12 13.122 1.812 0.413 0.810 0.909 0.636 CA 1.297 12 residues pruned to eliminate duplicates Z: 6 4.507 1.623 0.127 0.674 0.800 0.600 CA 1.172 Z: 11 15.569 1.771 0.550 0.908 0.900 0.700 CB 1.415 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 16.110 1.920 0.471 0.841 1.000 0.500 CA 1.345 11 residues pruned to eliminate duplicates Z: 21 12.829 1.782 0.372 0.534 0.900 0.550 CB 1.261 19 residues pruned to eliminate duplicates Z: 10 15.206 1.943 0.568 0.765 1.000 0.556 CA 1.315 10 residues pruned to eliminate duplicates Z: 11 12.282 1.885 0.552 0.601 1.000 0.700 CB 1.205 11 residues pruned to eliminate duplicates Z: 11 12.999 1.900 0.529 0.637 1.000 0.700 CB 1.244 11 residues pruned to eliminate duplicates Z: 27 12.408 1.780 0.386 0.453 0.962 0.538 CB 1.076 27 residues pruned to eliminate duplicates Z: 22 13.598 1.756 0.516 0.485 0.905 0.619 CB 1.251 22 residues pruned to eliminate duplicates Z: 20 8.994 1.655 0.441 0.445 0.789 0.211 CB 1.160 12 residues pruned to eliminate duplicates Z: 10 17.117 1.985 0.643 0.797 1.000 0.556 CB 1.350 10 residues pruned to eliminate duplicates Z: 12 7.730 1.761 0.366 0.407 0.909 0.636 CB 1.176 12 residues pruned to eliminate duplicates Z: 14 7.434 1.704 0.365 0.373 0.923 0.769 CB 1.100 12 residues pruned to eliminate duplicates Z: 8 7.925 1.626 0.638 0.573 1.000 0.714 CB 1.048 8 residues pruned to eliminate duplicates Z: 8 8.571 1.627 0.638 0.575 1.000 0.571 CB 1.130 8 residues pruned to eliminate duplicates Z: 16 8.683 1.682 0.498 0.354 1.000 0.533 CB 1.043 14 residues pruned to eliminate duplicates Z: 6 7.187 1.472 0.285 0.865 1.000 0.600 CA 1.244 6 residues pruned to eliminate duplicates Z: 19 16.787 1.928 0.715 0.652 0.889 0.556 CB 1.169 19 residues pruned to eliminate duplicates Z: 6 5.370 1.656 0.260 0.454 1.000 0.600 CB 1.207 6 residues pruned to eliminate duplicates Z: 18 15.217 1.957 0.498 0.586 0.941 0.353 CB 1.232 18 residues pruned to eliminate duplicates Z: 15 9.306 1.811 0.429 0.585 0.857 0.571 CB 1.034 15 residues pruned to eliminate duplicates Z: 17 14.492 1.965 0.670 0.546 0.875 0.500 CB 1.206 17 residues pruned to eliminate duplicates Z: 13 14.911 1.780 0.916 0.745 0.833 0.500 CA 1.217 13 residues pruned to eliminate duplicates Z: 19 17.668 1.880 0.833 0.574 0.944 0.500 CB 1.192 19 residues pruned to eliminate duplicates Z: 12 17.847 1.910 0.925 0.721 0.909 0.545 CB 1.319 12 residues pruned to eliminate duplicates Z: 18 19.888 1.972 0.761 0.644 1.000 0.529 CB 1.214 18 residues pruned to eliminate duplicates Z: 9 14.858 1.832 0.683 0.810 1.000 0.375 CA 1.300 9 residues pruned to eliminate duplicates Z: 18 17.557 1.976 0.717 0.615 0.882 0.412 CB 1.276 18 residues pruned to eliminate duplicates Z: 19 15.992 1.846 0.645 0.596 0.944 0.389 CB 1.199 19 residues pruned to eliminate duplicates Z: 12 16.814 1.914 0.859 0.732 0.909 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 10 13.008 1.772 0.627 0.809 0.889 0.778 CB 1.292 10 residues pruned to eliminate duplicates Z: 18 15.351 1.991 0.602 0.616 0.824 0.588 CB 1.270 18 residues pruned to eliminate duplicates Z: 8 2.476 1.404 0.064 0.297 0.714 0.429 CB 1.100 8 residues pruned to eliminate duplicates Z: 17 6.530 1.569 0.338 0.348 0.875 0.625 CB 1.049 8 residues pruned to eliminate duplicates Z: 6 3.694 1.484 0.328 0.491 1.000 0.800 CB 0.846 4 residues pruned to eliminate duplicates Z: 11 13.795 1.811 0.344 0.833 1.000 0.500 CA 1.345 11 residues pruned to eliminate duplicates Z: 11 14.535 1.830 0.263 0.867 1.000 0.800 CA 1.454 11 residues pruned to eliminate duplicates Z: 14 11.976 1.741 0.209 0.658 1.000 0.615 CB 1.364 11 residues pruned to eliminate duplicates Z: 11 14.235 1.815 0.378 0.844 1.000 0.700 CA 1.340 11 residues pruned to eliminate duplicates Z: 17 12.029 1.570 0.520 0.518 1.000 0.625 CA 1.238 17 residues pruned to eliminate duplicates Z: 12 15.691 1.787 0.532 0.742 1.000 0.727 CB 1.392 13 residues pruned to eliminate duplicates Z: 11 13.253 1.777 0.236 0.881 1.000 0.500 CB 1.381 10 residues pruned to eliminate duplicates Z: 12 12.675 1.703 0.342 0.857 1.000 0.727 CB 1.232 12 residues pruned to eliminate duplicates Z: 11 13.868 1.795 0.321 0.860 1.000 0.900 CB 1.361 11 residues pruned to eliminate duplicates Z: 18 21.116 2.021 0.470 0.755 1.000 0.588 CB 1.373 18 residues pruned to eliminate duplicates Z: 33 35.529 2.019 0.796 0.786 1.000 0.656 CB 1.347 32 residues pruned to eliminate duplicates Z: 18 21.315 1.942 0.391 0.867 1.000 0.647 CB 1.400 18 residues pruned to eliminate duplicates Z: 21 21.436 1.944 0.649 0.727 1.000 0.850 CB 1.219 21 residues pruned to eliminate duplicates Z: 16 21.790 2.139 0.444 0.853 0.933 0.533 CB 1.443 16 residues pruned to eliminate duplicates Z: 17 22.020 2.102 0.530 0.774 0.938 0.562 CB 1.434 17 residues pruned to eliminate duplicates Z: 17 22.748 2.032 0.602 0.882 1.000 0.688 CB 1.265 17 residues pruned to eliminate duplicates Z: 18 28.135 2.085 0.874 0.829 1.000 0.706 CB 1.315 18 residues pruned to eliminate duplicates Z: 17 22.393 2.107 0.546 0.797 0.938 0.812 CB 1.413 17 residues pruned to eliminate duplicates Z: 15 22.891 2.117 0.576 0.906 0.929 0.714 CB 1.405 15 residues pruned to eliminate duplicates Z: 17 22.903 2.082 0.561 0.799 1.000 0.688 CB 1.356 17 residues pruned to eliminate duplicates Z: 20 22.522 2.022 0.786 0.744 1.000 0.632 CB 1.150 20 residues pruned to eliminate duplicates Z: 20 19.285 1.930 0.475 0.699 0.947 0.474 CB 1.368 20 residues pruned to eliminate duplicates Z: 21 21.883 1.947 0.695 0.724 1.000 0.800 CB 1.212 21 residues pruned to eliminate duplicates Z: 20 20.955 1.975 0.542 0.730 1.000 0.632 CB 1.283 20 residues pruned to eliminate duplicates Z: 45 33.565 1.998 0.641 0.739 0.955 0.636 CB 1.305 45 residues pruned to eliminate duplicates Z: 45 34.464 1.996 0.646 0.755 0.955 0.659 CB 1.321 45 residues pruned to eliminate duplicates Z: 20 23.968 2.033 0.683 0.756 1.000 0.684 CB 1.280 20 residues pruned to eliminate duplicates Z: 21 18.948 1.919 0.729 0.691 0.900 0.650 CB 1.191 21 residues pruned to eliminate duplicates Z: 25 28.681 1.969 0.746 0.773 1.000 0.750 CB 1.337 25 residues pruned to eliminate duplicates Z: 27 25.549 1.934 0.771 0.726 0.962 0.654 CB 1.241 27 residues pruned to eliminate duplicates Z: 14 19.471 1.975 0.668 0.819 0.923 0.538 CB 1.347 14 residues pruned to eliminate duplicates Z: 45 39.194 2.001 0.712 0.766 1.000 0.705 CB 1.363 45 residues pruned to eliminate duplicates Z: 13 22.646 2.046 0.625 0.898 1.000 0.667 CA 1.407 13 residues pruned to eliminate duplicates Z: 26 22.000 1.907 0.489 0.723 1.000 0.720 CB 1.268 26 residues pruned to eliminate duplicates Z: 26 22.065 1.929 0.582 0.735 0.920 0.600 CB 1.272 26 residues pruned to eliminate duplicates Z: 47 29.351 1.914 0.632 0.747 0.891 0.652 CB 1.246 47 residues pruned to eliminate duplicates Z: 46 35.303 1.971 0.687 0.762 0.978 0.622 CB 1.283 46 residues pruned to eliminate duplicates Z: 45 34.182 1.992 0.597 0.767 0.977 0.727 CB 1.308 45 residues pruned to eliminate duplicates Z: 26 26.750 1.929 0.708 0.765 0.960 0.720 CB 1.337 26 residues pruned to eliminate duplicates Z: 27 22.219 1.912 0.677 0.733 0.885 0.731 CB 1.246 27 residues pruned to eliminate duplicates Z: 18 15.275 1.831 0.487 0.619 0.882 0.471 CB 1.379 18 residues pruned to eliminate duplicates Z: 46 32.927 1.975 0.723 0.738 0.911 0.600 CB 1.278 46 residues pruned to eliminate duplicates Z: 27 25.506 1.936 0.478 0.763 1.000 0.769 CB 1.385 27 residues pruned to eliminate duplicates Z: 35 24.410 1.859 0.606 0.664 0.941 0.647 CB 1.280 35 residues pruned to eliminate duplicates Z: 24 24.377 1.998 0.343 0.792 1.000 0.826 CB 1.466 24 residues pruned to eliminate duplicates Z: 18 11.858 1.648 0.480 0.565 0.941 0.706 CB 1.176 18 residues pruned to eliminate duplicates Z: 27 24.969 1.922 0.526 0.768 0.962 0.615 CB 1.370 27 residues pruned to eliminate duplicates Z: 11 18.412 1.839 0.731 0.865 1.000 0.800 CA 1.340 11 residues pruned to eliminate duplicates Z: 26 22.382 1.898 0.619 0.736 0.920 0.640 CB 1.281 26 residues pruned to eliminate duplicates Z: 25 24.011 1.940 0.615 0.767 0.917 0.667 CB 1.347 25 residues pruned to eliminate duplicates Z: 6 4.379 1.563 0.614 0.291 0.800 0.600 CB 1.227 6 residues pruned to eliminate duplicates Z: 13 14.895 1.794 0.633 0.695 0.917 0.750 CB 1.341 13 residues pruned to eliminate duplicates Z: 27 22.882 1.884 0.475 0.783 0.962 0.654 CB 1.309 27 residues pruned to eliminate duplicates Z: 13 11.407 1.637 0.684 0.619 0.833 0.500 CB 1.282 13 residues pruned to eliminate duplicates Z: 14 7.623 1.824 0.302 0.344 1.000 0.538 CB 1.055 14 residues pruned to eliminate duplicates Z: 14 9.023 1.867 0.497 0.376 0.923 0.692 CB 1.107 14 residues pruned to eliminate duplicates Z: 12 11.722 1.655 0.646 0.473 1.000 0.636 CA 1.334 14 residues pruned to eliminate duplicates Z: 7 5.091 1.557 0.281 0.412 1.000 0.500 CA 1.142 7 residues pruned to eliminate duplicates Z: 16 8.428 1.736 0.483 0.399 0.933 0.667 CB 1.008 11 residues pruned to eliminate duplicates Z: 8 5.230 1.442 0.523 0.431 1.000 0.571 CA 0.967 8 residues pruned to eliminate duplicates Z: 15 4.409 1.715 0.247 0.203 0.786 0.429 CB 0.998 15 residues pruned to eliminate duplicates Z: 11 4.618 1.881 0.514 0.183 0.700 0.500 CB 1.072 11 residues pruned to eliminate duplicates Z: 11 6.126 1.874 0.599 0.234 0.900 0.400 CB 0.979 11 residues pruned to eliminate duplicates Z: 11 7.238 1.962 0.375 0.281 0.900 0.500 CB 1.206 11 residues pruned to eliminate duplicates Z: 35 25.345 1.818 0.781 0.735 0.941 0.735 CB 1.155 35 residues pruned to eliminate duplicates Z: 16 25.614 1.915 0.943 0.872 1.000 0.867 CB 1.296 16 residues pruned to eliminate duplicates Z: 15 28.420 1.992 0.945 0.888 1.000 0.857 CB 1.412 15 residues pruned to eliminate duplicates Z: 14 23.614 2.061 0.869 0.829 0.923 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 16 16.585 2.056 0.505 0.760 0.867 0.667 CB 1.267 16 residues pruned to eliminate duplicates Z: 33 20.005 1.848 0.479 0.653 0.969 0.750 CB 1.158 33 residues pruned to eliminate duplicates Z: 18 17.045 1.992 0.665 0.698 0.882 0.471 CB 1.179 18 residues pruned to eliminate duplicates Z: 31 21.245 1.966 0.622 0.635 0.933 0.600 CB 1.149 31 residues pruned to eliminate duplicates Z: 20 14.637 1.981 0.673 0.630 0.842 0.263 CB 1.065 20 residues pruned to eliminate duplicates Z: 34 20.165 1.884 0.724 0.558 0.879 0.606 CB 1.162 34 residues pruned to eliminate duplicates Z: 32 23.170 1.962 0.689 0.667 0.935 0.613 CB 1.150 32 residues pruned to eliminate duplicates Z: 30 22.741 1.975 0.685 0.665 0.966 0.552 CB 1.127 30 residues pruned to eliminate duplicates Z: 26 11.938 1.770 0.522 0.530 0.720 0.400 CB 1.195 26 residues pruned to eliminate duplicates Z: 25 19.610 1.904 0.722 0.646 0.833 0.542 CB 1.278 25 residues pruned to eliminate duplicates Z: 33 21.957 1.929 0.699 0.631 0.906 0.594 CB 1.155 33 residues pruned to eliminate duplicates Z: 32 24.119 1.970 0.719 0.623 0.968 0.548 CB 1.178 32 residues pruned to eliminate duplicates Z: 32 24.240 1.973 0.686 0.667 0.968 0.581 CB 1.159 32 residues pruned to eliminate duplicates Z: 34 19.137 1.823 0.562 0.572 0.970 0.576 CB 1.126 34 residues pruned to eliminate duplicates Z: 31 20.532 1.944 0.652 0.667 0.867 0.567 CB 1.155 31 residues pruned to eliminate duplicates Z: 31 24.148 1.973 0.762 0.684 0.933 0.600 CB 1.147 31 residues pruned to eliminate duplicates Z: 32 22.432 1.940 0.791 0.647 0.903 0.581 CB 1.119 32 residues pruned to eliminate duplicates Z: 33 20.575 1.909 0.631 0.634 0.906 0.625 CB 1.137 33 residues pruned to eliminate duplicates Z: 28 22.988 1.893 0.681 0.677 1.000 0.630 CB 1.181 28 residues pruned to eliminate duplicates Z: 32 21.993 1.966 0.625 0.640 0.935 0.581 CB 1.159 32 residues pruned to eliminate duplicates Z: 28 19.240 1.821 0.660 0.683 0.963 0.630 CB 1.076 28 residues pruned to eliminate duplicates Z: 37 16.218 1.711 0.583 0.544 0.861 0.472 CB 1.110 30 residues pruned to eliminate duplicates Z: 9 6.308 1.603 0.342 0.760 0.875 0.500 CA 0.941 9 residues pruned to eliminate duplicates Z: 29 18.600 1.791 0.723 0.662 0.964 0.607 CB 1.016 29 residues pruned to eliminate duplicates Z: 33 20.976 1.913 0.762 0.619 0.875 0.500 CB 1.124 33 residues pruned to eliminate duplicates Z: 25 13.920 1.691 0.675 0.583 0.875 0.500 CB 1.059 25 residues pruned to eliminate duplicates Z: 32 24.549 1.940 0.721 0.696 0.968 0.419 CB 1.141 32 residues pruned to eliminate duplicates Z: 22 10.583 1.671 0.431 0.551 0.952 0.524 CB 0.964 22 residues pruned to eliminate duplicates Z: 42 24.158 1.790 0.457 0.572 0.927 0.512 CB 1.456 42 residues pruned to eliminate duplicates Z: 41 27.126 1.811 0.537 0.643 0.925 0.750 CB 1.458 41 residues pruned to eliminate duplicates Z: 14 26.874 1.983 0.852 0.932 1.000 0.923 CB 1.417 14 residues pruned to eliminate duplicates Z: 15 21.018 1.884 0.668 0.817 0.929 0.786 CA 1.462 14 residues pruned to eliminate duplicates Z: 13 19.679 1.929 0.462 0.922 1.000 1.000 CA 1.416 13 residues pruned to eliminate duplicates Z: 14 26.916 1.954 1.011 0.866 1.000 0.923 CB 1.391 15 residues pruned to eliminate duplicates Z: 13 28.282 2.017 0.900 0.920 1.000 0.833 CB 1.501 13 residues pruned to eliminate duplicates Z: 40 25.601 1.858 0.503 0.603 0.923 0.667 CB 1.441 40 residues pruned to eliminate duplicates Z: 13 25.937 2.066 0.729 0.932 1.000 0.833 CA 1.464 13 residues pruned to eliminate duplicates Z: 14 26.708 1.979 0.733 0.874 1.000 0.923 CA 1.572 14 residues pruned to eliminate duplicates Z: 14 23.427 2.004 0.839 0.835 0.923 0.615 CB 1.431 14 residues pruned to eliminate duplicates Z: 41 24.064 1.746 0.520 0.639 0.975 0.725 CB 1.290 41 residues pruned to eliminate duplicates Z: 42 26.022 1.810 0.592 0.594 0.927 0.707 CB 1.391 42 residues pruned to eliminate duplicates Z: 34 26.124 1.771 0.576 0.684 0.970 0.788 CB 1.418 34 residues pruned to eliminate duplicates Z: 29 13.088 1.647 0.248 0.446 0.929 0.750 CA 1.370 29 residues pruned to eliminate duplicates Z: 10 4.326 1.389 0.320 0.401 0.778 0.778 N 1.122 Z: 13 13.374 1.727 0.572 0.676 1.000 0.500 CB 1.209 13 residues pruned to eliminate duplicates Z: 17 19.877 1.786 0.662 0.655 1.000 0.812 CA 1.449 17 residues pruned to eliminate duplicates Z: 22 15.249 1.668 0.476 0.558 0.952 0.857 CB 1.341 22 residues pruned to eliminate duplicates Z: 28 17.978 1.738 0.464 0.524 1.000 0.778 CA 1.328 28 residues pruned to eliminate duplicates Z: 27 15.983 1.721 0.522 0.519 0.885 0.692 CA 1.328 27 residues pruned to eliminate duplicates Z: 21 16.583 1.695 0.522 0.591 1.000 0.750 CA 1.317 21 residues pruned to eliminate duplicates Z: 40 24.038 1.774 0.476 0.567 0.974 0.692 CA 1.414 40 residues pruned to eliminate duplicates Z: 32 22.814 1.802 0.647 0.629 0.935 0.484 CB 1.308 32 residues pruned to eliminate duplicates Z: 29 17.531 1.733 0.422 0.529 1.000 0.679 CB 1.307 29 residues pruned to eliminate duplicates Z: 27 19.244 1.778 0.439 0.548 1.000 0.692 CA 1.408 27 residues pruned to eliminate duplicates Z: 27 19.295 1.765 0.442 0.537 1.000 0.538 CA 1.434 37 residues pruned to eliminate duplicates Z: 14 12.414 1.645 0.464 0.685 0.846 0.385 CA 1.425 14 residues pruned to eliminate duplicates Z: 19 11.653 1.799 0.373 0.550 0.778 0.278 CA 1.361 20 residues pruned to eliminate duplicates Z: 8 8.148 1.767 0.394 0.511 1.000 0.714 N 1.237 8 residues pruned to eliminate duplicates Z: 8 6.788 1.809 0.245 0.372 1.000 0.286 N 1.305 8 residues pruned to eliminate duplicates Z: 28 18.202 1.734 0.479 0.524 1.000 0.667 CA 1.335 28 residues pruned to eliminate duplicates Z: 9 7.818 1.763 0.368 0.387 0.875 0.375 CB 1.476 9 residues pruned to eliminate duplicates Z: 13 8.909 1.850 0.473 0.479 0.750 0.583 CB 1.286 14 residues pruned to eliminate duplicates Z: 10 9.735 2.059 0.246 0.664 0.889 0.333 CA 1.222 10 residues pruned to eliminate duplicates Z: 41 24.129 1.989 0.500 0.505 0.850 0.500 CA 1.497 41 residues pruned to eliminate duplicates Z: 64 39.602 2.097 0.536 0.657 0.921 0.492 CA 1.454 64 residues pruned to eliminate duplicates Z: 26 14.993 1.934 0.451 0.436 0.840 0.400 CA 1.359 12 residues pruned to eliminate duplicates Z: 9 10.511 2.046 0.253 0.804 0.875 0.750 CA 1.270 Z: 9 11.613 2.081 0.620 0.808 0.875 0.625 CA 1.064 18 residues pruned to eliminate duplicates Z: 25 18.751 1.971 0.597 0.475 0.875 0.458 CA 1.426 25 residues pruned to eliminate duplicates Z: 21 19.001 2.098 0.707 0.426 0.900 0.400 CA 1.423 17 residues pruned to eliminate duplicates Z: 10 11.722 2.279 0.570 0.568 0.889 0.556 CA 1.151 Z: 20 17.832 2.088 0.525 0.454 0.947 0.421 CA 1.422 30 residues pruned to eliminate duplicates Z: 18 19.904 2.142 0.524 0.580 0.941 0.765 CA 1.455 18 residues pruned to eliminate duplicates Z: 41 28.042 2.033 0.533 0.530 0.900 0.550 CA 1.535 42 residues pruned to eliminate duplicates Z: 12 8.160 1.786 0.187 0.625 0.909 0.636 CB 1.135 12 residues pruned to eliminate duplicates Z: 34 22.018 1.988 0.600 0.521 0.879 0.515 CB 1.343 34 residues pruned to eliminate duplicates Z: 11 14.736 1.939 0.696 0.714 1.000 0.500 CB 1.167 11 residues pruned to eliminate duplicates Z: 45 35.059 2.059 0.559 0.724 0.955 0.614 CA 1.409 45 residues pruned to eliminate duplicates Z: 65 39.340 2.056 0.621 0.653 0.891 0.484 CA 1.436 65 residues pruned to eliminate duplicates Z: 17 6.074 1.669 0.355 0.434 0.750 0.375 CB 0.958 17 residues pruned to eliminate duplicates Z: 65 37.277 2.061 0.497 0.646 0.922 0.594 CA 1.430 65 residues pruned to eliminate duplicates Z: 47 28.020 2.002 0.448 0.694 0.935 0.587 CA 1.276 47 residues pruned to eliminate duplicates Z: 47 30.204 2.007 0.423 0.695 0.978 0.652 CB 1.334 47 residues pruned to eliminate duplicates Z: 46 34.247 2.048 0.474 0.712 1.000 0.733 CA 1.395 46 residues pruned to eliminate duplicates Z: 43 29.969 2.045 0.413 0.676 1.000 0.524 CB 1.360 43 residues pruned to eliminate duplicates Z: 45 31.830 2.052 0.485 0.703 0.932 0.614 CB 1.404 45 residues pruned to eliminate duplicates Z: 14 10.157 1.928 0.456 0.338 0.846 0.385 CA 1.415 14 residues pruned to eliminate duplicates Z: 47 27.101 2.003 0.394 0.627 0.935 0.587 CB 1.359 47 residues pruned to eliminate duplicates Z: 47 33.141 2.026 0.551 0.709 0.935 0.696 CA 1.376 47 residues pruned to eliminate duplicates Z: 16 8.803 1.803 0.336 0.339 0.933 0.533 CB 1.204 16 residues pruned to eliminate duplicates Z: 47 31.006 2.019 0.479 0.691 0.978 0.522 CB 1.313 47 residues pruned to eliminate duplicates Z: 23 12.753 1.813 0.384 0.478 0.909 0.455 CB 1.218 23 residues pruned to eliminate duplicates Z: 45 30.540 2.043 0.442 0.666 0.977 0.636 CA 1.371 45 residues pruned to eliminate duplicates Z: 32 32.982 2.048 0.726 0.752 0.935 0.677 CA 1.430 32 residues pruned to eliminate duplicates Z: 46 33.478 2.053 0.428 0.722 0.978 0.578 CB 1.425 46 residues pruned to eliminate duplicates Z: 50 29.349 1.954 0.514 0.621 0.918 0.490 CB 1.377 50 residues pruned to eliminate duplicates Z: 37 28.514 2.036 0.551 0.674 0.944 0.500 CA 1.358 37 residues pruned to eliminate duplicates Z: 29 29.014 2.085 0.492 0.830 0.929 0.571 CB 1.427 29 residues pruned to eliminate duplicates Z: 38 26.945 2.028 0.416 0.651 0.973 0.459 CA 1.378 38 residues pruned to eliminate duplicates Z: 31 29.286 2.116 0.387 0.783 0.967 0.567 CB 1.469 31 residues pruned to eliminate duplicates Z: 64 40.987 2.112 0.496 0.628 0.984 0.476 CB 1.473 64 residues pruned to eliminate duplicates Z: 30 28.091 2.122 0.381 0.757 0.966 0.586 CA 1.467 30 residues pruned to eliminate duplicates Z: 45 25.115 1.983 0.386 0.598 0.932 0.568 CB 1.347 45 residues pruned to eliminate duplicates Z: 46 32.051 2.027 0.516 0.697 0.956 0.644 CA 1.359 46 residues pruned to eliminate duplicates Z: 34 21.880 1.974 0.432 0.587 0.879 0.515 CA 1.411 34 residues pruned to eliminate duplicates Z: 46 30.856 2.036 0.408 0.674 0.978 0.600 CA 1.398 46 residues pruned to eliminate duplicates Z: 33 30.521 2.060 0.496 0.755 0.969 0.625 CA 1.440 33 residues pruned to eliminate duplicates Z: 65 36.523 2.061 0.444 0.638 0.953 0.578 CA 1.414 65 residues pruned to eliminate duplicates Z: 45 32.907 2.066 0.523 0.690 0.932 0.727 CA 1.423 45 residues pruned to eliminate duplicates Z: 27 26.507 2.099 0.590 0.698 0.962 0.615 CA 1.352 27 residues pruned to eliminate duplicates Z: 45 31.192 2.072 0.403 0.695 0.955 0.750 CA 1.419 45 residues pruned to eliminate duplicates Z: 45 32.247 2.042 0.434 0.698 1.000 0.614 CB 1.386 45 residues pruned to eliminate duplicates Z: 47 25.854 1.981 0.348 0.670 0.913 0.609 CA 1.335 47 residues pruned to eliminate duplicates Z: 78 35.876 2.010 0.490 0.516 0.935 0.571 CA 1.437 103 residues pruned to eliminate duplicates Z: 50 40.126 2.108 0.550 0.728 0.959 0.694 CA 1.490 50 residues pruned to eliminate duplicates Z: 51 41.193 2.100 0.572 0.730 0.980 0.640 CA 1.464 51 residues pruned to eliminate duplicates Z: 65 42.638 2.064 0.547 0.692 0.969 0.672 CB 1.445 65 residues pruned to eliminate duplicates Z: 65 44.451 2.056 0.601 0.682 0.984 0.656 CB 1.450 65 residues pruned to eliminate duplicates Z: 28 22.464 1.995 0.500 0.653 0.815 0.556 CB 1.538 28 residues pruned to eliminate duplicates Z: 23 26.977 2.111 0.599 0.764 0.864 0.727 CB 1.562 23 residues pruned to eliminate duplicates Z: 25 26.963 2.031 0.708 0.718 0.917 0.542 CB 1.422 25 residues pruned to eliminate duplicates Z: 22 30.025 2.094 0.683 0.787 0.905 0.619 CB 1.596 22 residues pruned to eliminate duplicates Z: 24 28.844 2.063 0.869 0.727 0.870 0.652 CB 1.463 24 residues pruned to eliminate duplicates Z: 88 48.940 2.066 0.688 0.667 0.920 0.655 CB 1.401 88 residues pruned to eliminate duplicates Z: 64 42.268 2.024 0.598 0.667 0.952 0.556 CB 1.482 64 residues pruned to eliminate duplicates Z: 26 30.467 2.037 0.896 0.712 0.880 0.520 CB 1.479 26 residues pruned to eliminate duplicates Z: 66 39.771 2.026 0.627 0.633 0.954 0.415 CB 1.385 66 residues pruned to eliminate duplicates Z: 21 33.695 2.157 0.830 0.831 0.950 0.600 CB 1.510 21 residues pruned to eliminate duplicates Z: 23 30.788 2.086 0.779 0.716 0.955 0.455 CB 1.524 23 residues pruned to eliminate duplicates Z: 26 29.623 2.009 0.978 0.739 0.880 0.560 CB 1.367 26 residues pruned to eliminate duplicates Z: 22 37.142 2.120 1.055 0.813 0.905 0.381 CB 1.567 22 residues pruned to eliminate duplicates Z: 22 36.737 2.121 1.085 0.788 0.905 0.571 CB 1.555 22 residues pruned to eliminate duplicates Z: 22 36.045 2.133 0.998 0.792 0.952 0.571 CB 1.501 22 residues pruned to eliminate duplicates Z: 27 26.140 2.032 0.908 0.696 0.846 0.500 CB 1.307 27 residues pruned to eliminate duplicates Z: 24 34.832 2.085 0.953 0.747 0.913 0.435 CB 1.566 24 residues pruned to eliminate duplicates Z: 20 37.342 2.190 1.047 0.846 0.895 0.579 CB 1.586 20 residues pruned to eliminate duplicates Z: 24 35.717 2.045 1.022 0.830 0.957 0.478 CB 1.416 24 residues pruned to eliminate duplicates Z: 33 36.320 2.066 0.937 0.810 0.875 0.406 CB 1.400 33 residues pruned to eliminate duplicates Z: 46 34.768 2.014 0.852 0.731 0.889 0.467 CB 1.270 46 residues pruned to eliminate duplicates Z: 33 24.343 1.845 0.866 0.690 0.844 0.469 CB 1.245 33 residues pruned to eliminate duplicates Z: 88 42.390 1.983 0.632 0.640 0.954 0.471 CB 1.291 88 residues pruned to eliminate duplicates Z: 39 26.750 2.041 0.698 0.587 0.921 0.684 CB 1.250 39 residues pruned to eliminate duplicates Z: 58 42.109 2.096 0.784 0.665 0.930 0.509 CB 1.377 58 residues pruned to eliminate duplicates Z: 39 23.519 2.017 0.484 0.592 0.921 0.789 CB 1.267 39 residues pruned to eliminate duplicates Z: 39 28.473 2.030 0.712 0.583 0.947 0.737 CB 1.295 38 residues pruned to eliminate duplicates Z: 8 6.353 1.728 0.584 0.864 0.714 0.571 CA 0.900 8 residues pruned to eliminate duplicates Z: 37 29.234 2.083 0.655 0.612 0.944 0.694 CA 1.345 37 residues pruned to eliminate duplicates Z: 37 27.646 2.075 0.567 0.631 0.944 0.750 CA 1.327 37 residues pruned to eliminate duplicates Z: 37 26.045 2.072 0.509 0.624 0.944 0.750 CA 1.308 37 residues pruned to eliminate duplicates Z: 14 9.448 1.886 0.422 0.456 0.923 0.462 CB 1.107 14 residues pruned to eliminate duplicates Z: 37 31.164 2.022 0.859 0.676 0.972 0.667 CB 1.208 37 residues pruned to eliminate duplicates Z: 39 28.133 2.048 0.748 0.620 0.921 0.658 CB 1.236 39 residues pruned to eliminate duplicates Z: 49 30.580 1.975 0.694 0.701 0.896 0.479 CB 1.227 49 residues pruned to eliminate duplicates Z: 36 31.491 2.092 0.787 0.661 0.914 0.800 CB 1.341 38 residues pruned to eliminate duplicates Z: 10 12.793 2.181 0.471 0.860 1.000 0.889 CB 0.977 10 residues pruned to eliminate duplicates Z: 25 32.693 2.208 0.713 0.761 1.000 0.833 CB 1.400 25 residues pruned to eliminate duplicates Z: 39 26.755 2.011 0.534 0.623 0.947 0.605 CB 1.322 39 residues pruned to eliminate duplicates Z: 36 30.581 2.091 0.703 0.634 0.971 0.743 CA 1.318 36 residues pruned to eliminate duplicates Z: 36 31.047 2.084 0.616 0.688 0.971 0.714 CB 1.351 36 residues pruned to eliminate duplicates Z: 12 17.327 2.165 0.488 0.689 0.909 0.636 CA 1.500 12 residues pruned to eliminate duplicates Z: 27 25.210 2.139 0.538 0.703 0.923 0.808 CB 1.353 27 residues pruned to eliminate duplicates Z: 25 33.838 2.211 0.786 0.764 0.958 0.792 CB 1.444 25 residues pruned to eliminate duplicates Z: 35 29.390 2.105 0.559 0.668 0.971 0.735 CA 1.355 35 residues pruned to eliminate duplicates Z: 36 32.476 2.094 0.736 0.686 0.943 0.829 CB 1.350 36 residues pruned to eliminate duplicates Z: 26 34.989 2.193 0.713 0.764 1.000 0.840 CB 1.474 26 residues pruned to eliminate duplicates Z: 29 27.422 2.047 0.772 0.668 0.964 0.679 CB 1.269 29 residues pruned to eliminate duplicates Z: 39 24.818 2.037 0.492 0.636 0.895 0.711 CB 1.303 39 residues pruned to eliminate duplicates Z: 25 33.004 2.218 0.689 0.769 1.000 0.833 CA 1.417 25 residues pruned to eliminate duplicates Z: 37 29.349 2.097 0.578 0.647 0.944 0.667 CA 1.364 37 residues pruned to eliminate duplicates Z: 38 27.788 2.085 0.518 0.645 0.946 0.622 CB 1.332 38 residues pruned to eliminate duplicates Z: 36 31.954 2.087 0.741 0.664 0.943 0.571 CA 1.354 36 residues pruned to eliminate duplicates Z: 16 23.854 2.162 0.799 0.713 0.933 0.733 CA 1.398 16 residues pruned to eliminate duplicates Z: 38 26.176 2.032 0.595 0.632 0.919 0.676 CB 1.275 38 residues pruned to eliminate duplicates Z: 27 28.637 2.102 0.748 0.692 0.962 0.692 CB 1.334 27 residues pruned to eliminate duplicates Z: 60 34.512 1.984 0.810 0.649 0.847 0.559 CB 1.285 60 residues pruned to eliminate duplicates Z: 25 27.859 2.188 0.629 0.735 0.958 0.792 CB 1.349 25 residues pruned to eliminate duplicates Z: 25 23.615 2.053 0.654 0.580 0.875 0.542 CB 1.502 Z: 6 2.012 1.339 0.532 0.279 0.800 0.600 CA 0.704 6 residues pruned to eliminate duplicates Z: 23 16.531 1.990 0.639 0.478 0.773 0.591 CB 1.429 23 residues pruned to eliminate duplicates Z: 25 18.868 2.014 0.581 0.489 0.875 0.375 CB 1.398 25 residues pruned to eliminate duplicates Z: 25 24.133 2.081 0.701 0.566 0.875 0.458 CB 1.492 26 residues pruned to eliminate duplicates Z: 10 15.099 2.106 0.535 0.676 1.000 0.333 CB 1.324 10 residues pruned to eliminate duplicates Z: 25 23.392 2.084 0.692 0.533 0.917 0.500 CB 1.430 25 residues pruned to eliminate duplicates Z: 19 15.475 2.026 0.609 0.495 0.778 0.333 CA 1.446 19 residues pruned to eliminate duplicates Z: 25 17.811 2.076 0.707 0.514 0.708 0.458 CB 1.429 25 residues pruned to eliminate duplicates Z: 25 18.569 2.054 0.530 0.496 0.875 0.375 CB 1.384 25 residues pruned to eliminate duplicates Z: 25 19.953 2.094 0.523 0.536 0.833 0.417 CB 1.480 25 residues pruned to eliminate duplicates Z: 21 16.532 2.001 0.699 0.474 0.850 0.500 CB 1.313 21 residues pruned to eliminate duplicates Z: 18 20.411 2.126 0.699 0.565 0.882 0.529 CB 1.459 18 residues pruned to eliminate duplicates Z: 19 28.719 2.105 0.925 0.575 1.000 0.500 CA 1.554 19 residues pruned to eliminate duplicates Z: 9 6.460 1.770 0.111 0.784 0.750 0.625 CB 1.207 9 residues pruned to eliminate duplicates Z: 17 14.617 1.819 0.418 0.596 0.938 0.750 CB 1.379 17 residues pruned to eliminate duplicates Z: 17 11.004 1.792 0.363 0.552 0.875 0.625 CB 1.223 17 residues pruned to eliminate duplicates Z: 9 8.892 1.806 0.094 0.859 1.000 0.625 CB 1.171 9 residues pruned to eliminate duplicates Z: 20 14.336 1.744 0.344 0.599 1.000 0.684 CB 1.277 20 residues pruned to eliminate duplicates Z: 43 22.701 1.862 0.302 0.693 1.000 0.738 CB 1.211 43 residues pruned to eliminate duplicates Z: 43 23.724 1.942 0.408 0.673 0.952 0.595 CB 1.199 43 residues pruned to eliminate duplicates Z: 19 15.593 1.822 0.293 0.639 1.000 0.667 CB 1.370 19 residues pruned to eliminate duplicates Z: 40 26.578 1.982 0.507 0.713 0.949 0.718 CB 1.239 40 residues pruned to eliminate duplicates Z: 15 10.506 1.830 0.223 0.566 0.929 0.643 CB 1.268 15 residues pruned to eliminate duplicates Z: 20 13.402 1.813 0.369 0.565 0.895 0.474 CB 1.299 20 residues pruned to eliminate duplicates Z: 19 15.080 1.838 0.320 0.611 0.944 0.611 CB 1.397 19 residues pruned to eliminate duplicates Z: 40 28.177 1.988 0.475 0.721 0.974 0.744 CB 1.293 40 residues pruned to eliminate duplicates Z: 40 26.344 1.964 0.482 0.724 0.949 0.590 CB 1.248 40 residues pruned to eliminate duplicates Z: 40 24.544 1.975 0.401 0.683 0.974 0.590 CB 1.233 40 residues pruned to eliminate duplicates Z: 28 23.845 2.020 0.613 0.741 0.963 0.519 CB 1.179 28 residues pruned to eliminate duplicates Z: 27 19.869 2.001 0.374 0.733 0.962 0.615 CB 1.195 27 residues pruned to eliminate duplicates Z: 43 28.171 1.976 0.465 0.718 0.952 0.619 CB 1.295 43 residues pruned to eliminate duplicates Z: 40 28.127 1.990 0.470 0.697 0.974 0.564 CB 1.320 40 residues pruned to eliminate duplicates Z: 26 23.087 2.050 0.429 0.804 0.960 0.720 CB 1.259 26 residues pruned to eliminate duplicates Z: 20 30.191 2.164 0.598 0.931 1.000 0.684 CB 1.400 20 residues pruned to eliminate duplicates Z: 41 21.724 1.935 0.306 0.671 0.925 0.650 CB 1.255 41 residues pruned to eliminate duplicates Z: 19 27.447 2.155 0.871 0.913 0.944 0.722 CB 1.201 19 residues pruned to eliminate duplicates Z: 29 24.501 1.996 0.561 0.731 0.964 0.607 CB 1.253 29 residues pruned to eliminate duplicates Z: 42 23.747 1.947 0.483 0.675 0.927 0.585 CB 1.179 42 residues pruned to eliminate duplicates Z: 29 20.590 1.980 0.502 0.673 0.893 0.679 CB 1.249 29 residues pruned to eliminate duplicates Z: 26 22.669 2.013 0.450 0.786 0.960 0.800 CB 1.258 26 residues pruned to eliminate duplicates Z: 40 24.483 1.983 0.377 0.697 0.949 0.667 CB 1.264 40 residues pruned to eliminate duplicates Z: 16 18.502 2.115 0.544 0.692 1.000 0.667 CB 1.227 16 residues pruned to eliminate duplicates Z: 41 27.008 1.981 0.480 0.702 0.950 0.675 CB 1.276 41 residues pruned to eliminate duplicates Z: 42 23.934 1.972 0.393 0.648 0.902 0.610 CB 1.313 42 residues pruned to eliminate duplicates Z: 27 24.330 1.982 0.595 0.727 0.962 0.615 CB 1.279 27 residues pruned to eliminate duplicates Z: 40 26.271 1.967 0.466 0.679 0.949 0.667 CB 1.305 40 residues pruned to eliminate duplicates Z: 23 25.163 2.082 0.614 0.792 0.955 0.773 CB 1.295 23 residues pruned to eliminate duplicates Z: 26 24.146 2.072 0.535 0.775 0.920 0.520 CB 1.294 26 residues pruned to eliminate duplicates Z: 26 23.165 2.059 0.565 0.768 0.920 0.640 CB 1.232 26 residues pruned to eliminate duplicates Z: 51 37.703 2.025 0.796 0.743 0.900 0.620 CB 1.311 51 residues pruned to eliminate duplicates Z: 26 25.719 2.056 0.598 0.798 0.880 0.480 CB 1.370 26 residues pruned to eliminate duplicates Z: 53 35.332 2.044 0.582 0.751 0.962 0.577 CB 1.259 53 residues pruned to eliminate duplicates Z: 63 44.001 2.088 0.813 0.691 0.887 0.661 CB 1.396 63 residues pruned to eliminate duplicates Z: 70 36.612 2.046 0.553 0.654 0.913 0.638 CB 1.316 70 residues pruned to eliminate duplicates Z: 40 33.491 2.075 0.704 0.749 0.974 0.487 CB 1.246 40 residues pruned to eliminate duplicates Z: 24 34.252 2.031 0.971 0.827 0.957 0.478 CB 1.405 24 residues pruned to eliminate duplicates Z: 50 32.617 2.042 0.761 0.679 0.857 0.531 CB 1.282 50 residues pruned to eliminate duplicates Z: 23 35.750 2.094 1.049 0.902 1.000 0.409 CB 1.267 23 residues pruned to eliminate duplicates Z: 48 32.154 2.058 0.528 0.747 0.936 0.404 CB 1.278 48 residues pruned to eliminate duplicates Z: 74 43.672 2.060 0.661 0.688 0.932 0.589 CB 1.349 74 residues pruned to eliminate duplicates Z: 24 36.650 2.098 1.112 0.859 1.000 0.348 CB 1.269 24 residues pruned to eliminate duplicates Z: 51 38.651 2.020 0.834 0.688 0.960 0.360 CB 1.294 51 residues pruned to eliminate duplicates Z: 29 28.382 1.940 0.929 0.773 0.964 0.321 CB 1.167 29 residues pruned to eliminate duplicates Z: 77 37.702 2.006 0.597 0.661 0.868 0.500 CB 1.340 77 residues pruned to eliminate duplicates Z: 69 43.048 2.062 0.651 0.696 0.941 0.529 CB 1.362 69 residues pruned to eliminate duplicates Z: 24 33.887 2.094 1.058 0.857 0.957 0.391 CB 1.263 24 residues pruned to eliminate duplicates Z: 107 44.026 2.005 0.637 0.649 0.887 0.575 CB 1.278 107 residues pruned to eliminate duplicates Z: 26 30.993 2.051 0.958 0.810 0.920 0.160 CB 1.281 26 residues pruned to eliminate duplicates Z: 65 40.108 2.002 0.696 0.734 0.938 0.484 CB 1.277 65 residues pruned to eliminate duplicates Z: 62 39.493 2.057 0.697 0.724 0.869 0.541 CB 1.362 62 residues pruned to eliminate duplicates Z: 34 28.150 2.038 0.793 0.719 0.848 0.394 CB 1.296 34 residues pruned to eliminate duplicates Z: 46 39.983 2.127 0.830 0.753 0.911 0.444 CB 1.341 46 residues pruned to eliminate duplicates Z: 37 31.102 2.079 0.828 0.707 0.861 0.389 CB 1.312 37 residues pruned to eliminate duplicates Z: 8 11.446 1.972 0.457 0.659 1.000 0.571 CB 1.299 8 residues pruned to eliminate duplicates Z: 48 28.921 1.972 0.883 0.644 0.830 0.255 CB 1.197 48 residues pruned to eliminate duplicates Z: 24 23.129 2.059 0.610 0.651 0.957 0.522 CB 1.322 24 residues pruned to eliminate duplicates Z: 30 25.369 1.999 0.978 0.745 0.828 0.276 CB 1.156 30 residues pruned to eliminate duplicates Z: 26 18.405 1.949 0.553 0.590 0.880 0.600 CB 1.268 26 residues pruned to eliminate duplicates Z: 75 39.432 2.074 0.731 0.661 0.838 0.500 CB 1.312 75 residues pruned to eliminate duplicates Z: 106 53.137 2.076 0.682 0.700 0.943 0.505 CB 1.313 106 residues pruned to eliminate duplicates Z: 111 49.725 2.050 0.729 0.678 0.873 0.518 CB 1.302 111 residues pruned to eliminate duplicates Z: 48 37.763 2.069 0.908 0.726 0.936 0.383 CB 1.216 48 residues pruned to eliminate duplicates Z: 46 30.746 2.034 0.726 0.637 0.911 0.667 CB 1.260 46 residues pruned to eliminate duplicates Z: 73 39.910 2.057 0.642 0.637 0.917 0.569 CB 1.336 73 residues pruned to eliminate duplicates Z: 48 34.638 2.044 0.782 0.687 0.915 0.404 CB 1.277 48 residues pruned to eliminate duplicates Z: 47 31.367 2.042 0.730 0.703 0.826 0.457 CB 1.317 47 residues pruned to eliminate duplicates Z: 135 58.987 2.040 0.657 0.687 0.948 0.560 CB 1.340 135 residues pruned to eliminate duplicates Z: 84 41.588 2.059 0.544 0.649 0.928 0.627 CB 1.347 84 residues pruned to eliminate duplicates Z: 64 44.918 2.081 0.832 0.699 0.921 0.587 CB 1.345 64 residues pruned to eliminate duplicates Z: 64 46.737 2.110 0.782 0.707 0.937 0.508 CB 1.385 64 residues pruned to eliminate duplicates Z: 101 49.483 2.036 0.643 0.676 0.930 0.510 CB 1.352 101 residues pruned to eliminate duplicates Z: 108 52.084 2.074 0.650 0.681 0.916 0.495 CB 1.361 108 residues pruned to eliminate duplicates Z: 68 40.929 2.072 0.614 0.663 0.940 0.507 CB 1.367 68 residues pruned to eliminate duplicates Z: 27 29.255 2.147 0.496 0.701 0.962 0.769 CB 1.546 27 residues pruned to eliminate duplicates Z: 20 20.231 2.079 0.569 0.565 0.947 0.632 CA 1.410 20 residues pruned to eliminate duplicates Z: 31 24.776 2.032 0.532 0.557 0.933 0.600 CB 1.472 31 residues pruned to eliminate duplicates Z: 25 21.040 2.025 0.478 0.635 0.875 0.708 CB 1.444 25 residues pruned to eliminate duplicates Z: 38 24.103 2.021 0.522 0.549 0.892 0.649 CB 1.378 38 residues pruned to eliminate duplicates Z: 41 27.900 2.017 0.583 0.604 0.900 0.650 CB 1.390 41 residues pruned to eliminate duplicates Z: 32 26.250 2.077 0.471 0.658 0.903 0.613 CB 1.475 32 residues pruned to eliminate duplicates Z: 60 49.281 2.144 0.785 0.729 0.932 0.542 CB 1.463 60 residues pruned to eliminate duplicates Z: 59 36.609 2.030 0.626 0.710 0.931 0.431 CB 1.292 59 residues pruned to eliminate duplicates Z: 63 35.781 2.044 0.530 0.670 0.919 0.532 CB 1.350 63 residues pruned to eliminate duplicates Z: 78 39.364 2.045 0.463 0.663 0.922 0.623 CB 1.398 78 residues pruned to eliminate duplicates Z: 117 51.969 2.032 0.654 0.621 0.922 0.517 CB 1.389 117 residues pruned to eliminate duplicates Z: 49 31.148 1.997 0.664 0.558 0.958 0.604 CB 1.334 49 residues pruned to eliminate duplicates Z: 51 31.023 2.037 0.578 0.582 0.920 0.560 CB 1.372 51 residues pruned to eliminate duplicates Z: 30 22.541 2.038 0.548 0.557 0.897 0.552 CB 1.400 30 residues pruned to eliminate duplicates Z: 41 31.781 2.081 0.622 0.622 0.900 0.625 CB 1.474 41 residues pruned to eliminate duplicates Z: 99 51.198 2.059 0.700 0.681 0.949 0.612 CB 1.318 99 residues pruned to eliminate duplicates Z: 64 38.137 2.041 0.562 0.668 0.937 0.635 CB 1.378 64 residues pruned to eliminate duplicates Z: 15 9.250 1.886 0.351 0.429 0.929 0.500 CB 1.124 15 residues pruned to eliminate duplicates Z: 74 45.361 2.085 0.759 0.653 0.918 0.534 CB 1.368 74 residues pruned to eliminate duplicates Z: 78 38.209 2.037 0.559 0.642 0.896 0.571 CB 1.340 78 residues pruned to eliminate duplicates Z: 47 26.598 1.932 0.625 0.581 0.935 0.478 CB 1.236 47 residues pruned to eliminate duplicates Z: 16 7.446 1.721 0.202 0.412 0.867 0.333 CB 1.176 16 residues pruned to eliminate duplicates Z: 30 22.353 1.996 0.622 0.565 0.966 0.517 CB 1.247 30 residues pruned to eliminate duplicates Z: 61 31.118 1.993 0.480 0.674 0.917 0.600 CB 1.265 61 residues pruned to eliminate duplicates Z: 101 39.833 2.004 0.582 0.584 0.870 0.470 CB 1.332 101 residues pruned to eliminate duplicates Z: 76 45.181 2.052 0.807 0.666 0.893 0.520 CB 1.351 76 residues pruned to eliminate duplicates Z: 63 36.140 2.060 0.639 0.638 0.887 0.500 CB 1.346 63 residues pruned to eliminate duplicates Z: 63 32.479 1.960 0.537 0.660 0.919 0.516 CB 1.284 63 residues pruned to eliminate duplicates Z: 20 14.470 1.914 0.084 0.771 0.895 0.526 CB 1.408 20 residues pruned to eliminate duplicates Z: 38 26.815 2.065 0.455 0.687 0.946 0.514 CB 1.307 38 residues pruned to eliminate duplicates Z: 115 50.529 2.029 0.683 0.652 0.904 0.570 CB 1.331 116 residues pruned to eliminate duplicates Z: 18 24.397 2.026 0.518 0.877 1.000 0.765 CB 1.397 18 residues pruned to eliminate duplicates Z: 157 61.724 2.022 0.629 0.678 0.955 0.654 CB 1.333 157 residues pruned to eliminate duplicates Z: 119 55.844 2.060 0.694 0.676 0.915 0.610 CB 1.369 119 residues pruned to eliminate duplicates Z: 86 44.530 2.057 0.612 0.642 0.929 0.682 CB 1.372 86 residues pruned to eliminate duplicates Z: 75 43.948 1.976 0.718 0.695 0.973 0.622 CB 1.294 74 residues pruned to eliminate duplicates Z: 18 19.797 1.947 0.480 0.836 0.941 0.529 CB 1.325 18 residues pruned to eliminate duplicates Z: 46 31.025 2.016 0.497 0.688 1.000 0.667 CB 1.290 46 residues pruned to eliminate duplicates Z: 48 29.122 1.994 0.552 0.664 0.915 0.596 CB 1.289 48 residues pruned to eliminate duplicates Z: 49 30.271 1.987 0.565 0.640 0.938 0.542 CB 1.314 49 residues pruned to eliminate duplicates Z: 110 57.690 2.059 0.759 0.690 0.963 0.569 CB 1.331 110 residues pruned to eliminate duplicates Z: 76 43.923 2.020 0.706 0.682 0.907 0.653 CB 1.374 76 residues pruned to eliminate duplicates Z: 38 30.415 2.037 0.536 0.715 0.973 0.676 CB 1.352 38 residues pruned to eliminate duplicates Z: 45 28.063 1.984 0.581 0.638 0.886 0.568 CB 1.337 45 residues pruned to eliminate duplicates Z: 83 43.514 2.056 0.639 0.661 0.939 0.537 CB 1.308 83 residues pruned to eliminate duplicates Z: 92 46.043 2.050 0.552 0.647 0.956 0.670 CB 1.384 92 residues pruned to eliminate duplicates Z: 33 31.232 2.082 0.608 0.750 1.000 0.531 CB 1.319 33 residues pruned to eliminate duplicates Z: 82 45.848 2.037 0.672 0.623 0.963 0.531 CB 1.383 82 residues pruned to eliminate duplicates Z: 104 56.104 2.066 0.752 0.693 0.932 0.515 CB 1.374 104 residues pruned to eliminate duplicates Z: 38 29.760 2.054 0.561 0.683 0.946 0.432 CB 1.363 38 residues pruned to eliminate duplicates Z: 47 30.800 2.023 0.604 0.672 0.935 0.457 CB 1.277 47 residues pruned to eliminate duplicates Z: 147 59.640 2.042 0.709 0.693 0.911 0.555 CB 1.302 147 residues pruned to eliminate duplicates Z: 35 30.032 2.026 0.698 0.727 0.941 0.382 CB 1.297 35 residues pruned to eliminate duplicates Z: 72 45.931 2.075 0.705 0.684 0.944 0.648 CB 1.379 72 residues pruned to eliminate duplicates Z: 62 39.076 2.019 0.732 0.665 0.918 0.492 CB 1.337 62 residues pruned to eliminate duplicates Z: 26 22.775 1.911 0.710 0.702 0.920 0.640 CB 1.261 26 residues pruned to eliminate duplicates Z: 48 31.889 1.988 0.664 0.649 0.915 0.638 CB 1.338 48 residues pruned to eliminate duplicates Z: 84 46.891 2.062 0.718 0.640 0.952 0.614 CB 1.339 84 residues pruned to eliminate duplicates Z: 47 42.860 2.072 0.749 0.759 0.957 0.587 CB 1.449 49 residues pruned to eliminate duplicates Z: 12 28.077 2.229 0.879 0.915 1.000 0.636 CB 1.429 12 residues pruned to eliminate duplicates Z: 48 38.626 2.048 0.642 0.746 0.957 0.617 CB 1.404 48 residues pruned to eliminate duplicates Z: 87 50.138 2.048 0.669 0.700 0.942 0.674 CB 1.400 87 residues pruned to eliminate duplicates Z: 14 21.177 2.010 0.790 0.721 0.923 0.692 CB 1.448 13 residues pruned to eliminate duplicates Z: 12 21.556 2.035 0.702 0.782 0.909 0.727 CA 1.610 12 residues pruned to eliminate duplicates Z: 11 20.948 1.973 0.639 0.839 1.000 0.900 CA 1.529 11 residues pruned to eliminate duplicates Z: 76 47.978 2.040 0.739 0.697 0.960 0.653 CB 1.359 76 residues pruned to eliminate duplicates Z: 118 53.907 2.042 0.743 0.665 0.880 0.444 CB 1.366 118 residues pruned to eliminate duplicates Z: 54 32.003 1.949 0.602 0.618 0.906 0.585 CB 1.391 54 residues pruned to eliminate duplicates Z: 18 16.156 1.877 0.755 0.608 0.824 0.412 CB 1.303 18 residues pruned to eliminate duplicates Z: 13 24.877 2.033 0.733 0.807 1.000 0.750 CA 1.560 13 residues pruned to eliminate duplicates Z: 73 42.585 2.022 0.728 0.661 0.903 0.444 CB 1.370 73 residues pruned to eliminate duplicates Z: 13 20.304 2.021 0.676 0.753 0.917 0.667 CA 1.506 13 residues pruned to eliminate duplicates Z: 87 45.870 2.035 0.621 0.681 0.942 0.605 CB 1.348 87 residues pruned to eliminate duplicates Z: 9 7.620 1.996 0.395 0.347 0.875 0.625 CB 1.306 9 residues pruned to eliminate duplicates Z: 6 2.875 1.614 -0.093 0.503 0.800 0.400 CB 1.095 6 residues pruned to eliminate duplicates Z: 7 6.611 2.177 0.410 0.237 0.833 0.667 CB 1.431 7 residues pruned to eliminate duplicates Z: 10 6.562 1.912 0.875 0.235 0.778 0.444 CB 1.068 10 residues pruned to eliminate duplicates Z: 11 12.229 1.693 0.425 0.748 1.000 0.700 CB 1.284 9 residues pruned to eliminate duplicates Z: 10 14.233 1.735 0.699 0.784 1.000 0.556 CB 1.254 10 residues pruned to eliminate duplicates Z: 8 9.733 1.646 0.283 0.862 1.000 0.714 CB 1.280 8 residues pruned to eliminate duplicates Z: 13 8.573 1.518 0.353 0.608 1.000 0.417 CB 1.088 13 residues pruned to eliminate duplicates Z: 11 9.910 1.664 0.411 0.710 0.900 0.500 CB 1.225 11 residues pruned to eliminate duplicates Z: 10 10.647 1.584 0.404 0.859 0.889 0.778 O 1.321 10 residues pruned to eliminate duplicates Z: 12 11.239 1.609 0.470 0.683 1.000 0.636 CB 1.212 12 residues pruned to eliminate duplicates Z: 11 11.991 1.659 0.467 0.749 1.000 0.700 CB 1.248 11 residues pruned to eliminate duplicates Z: 10 14.601 1.574 0.726 0.860 1.000 0.667 O 1.317 10 residues pruned to eliminate duplicates Z: 12 8.419 1.379 0.286 0.864 0.909 0.818 CB 1.154 11 residues pruned to eliminate duplicates 540 residues left after pruning, divided into chains as follows: A: 12 B: 18 C: 12 D: 14 E: 46 F: 24 G: 42 H: 40 I: 125 J: 24 K: 162 L: 9 M: 12 CC for partial structure against native data = 38.75 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.383, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.437, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.525, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.764 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.765 for dens.mod. cycle 6 = 0.300, Contrast = 0.555, Connect. = 0.767 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2963 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 664 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 30.966 2.137 0.617 0.899 0.947 0.842 CB 1.550 B: 23 32.274 1.993 0.689 0.918 1.000 0.909 CB 1.441 20 residues pruned to eliminate duplicates C: 25 25.183 2.091 0.419 0.888 0.917 0.625 CA 1.362 D: 21 32.820 2.121 0.661 0.908 1.000 0.800 CB 1.480 22 residues pruned to eliminate duplicates E: 22 27.844 2.065 0.442 0.897 1.000 0.762 CA 1.461 22 residues pruned to eliminate duplicates F: 23 26.417 2.085 0.534 0.922 0.955 0.545 CB 1.298 G: 16 13.927 2.074 0.148 0.842 0.933 0.533 CB 1.205 H: 21 38.236 2.123 0.844 0.937 1.000 0.650 CB 1.520 21 residues pruned to eliminate duplicates I: 19 26.114 2.134 0.619 0.928 0.944 0.667 CA 1.322 J: 22 26.984 2.073 0.597 0.937 0.952 0.810 CB 1.299 19 residues pruned to eliminate duplicates K: 11 13.524 2.097 0.359 0.857 1.000 1.000 CB 1.105 L: 18 22.138 2.124 0.496 0.913 0.941 0.941 CB 1.270 19 residues pruned to eliminate duplicates M: 22 38.702 2.080 0.858 0.915 1.000 0.857 CB 1.544 22 residues pruned to eliminate duplicates N: 11 11.135 1.815 0.072 0.834 1.000 0.800 CA 1.358 O: 10 21.716 2.042 0.676 0.919 1.000 0.667 CA 1.490 P: 9 11.603 1.939 -0.009 0.868 1.000 0.875 CB 1.561 10 residues pruned to eliminate duplicates Q: 20 38.420 2.121 0.882 0.930 1.000 0.789 CB 1.544 20 residues pruned to eliminate duplicates R: 23 28.010 2.076 0.617 0.883 0.955 0.682 CB 1.348 23 residues pruned to eliminate duplicates S: 12 19.320 2.206 0.492 0.908 0.909 0.455 CB 1.383 T: 12 17.887 2.172 0.639 0.904 0.818 0.636 CB 1.318 12 residues pruned to eliminate duplicates U: 23 21.098 1.999 0.230 0.898 1.000 0.818 CB 1.309 23 residues pruned to eliminate duplicates V: 9 13.834 2.007 0.638 0.750 1.000 0.625 CA 1.190 W: 8 10.906 2.131 0.136 0.834 1.000 0.714 CA 1.276 8 residues pruned to eliminate duplicates X: 18 22.801 1.942 0.581 0.901 1.000 0.529 CB 1.286 Y: 24 29.977 2.145 0.472 0.914 0.957 0.783 CA 1.464 25 residues pruned to eliminate duplicates Z: 17 15.356 1.917 0.546 0.782 0.938 0.500 CB 1.078 10 residues pruned to eliminate duplicates Z: 15 17.272 2.084 0.225 0.919 0.929 0.643 CA 1.373 15 residues pruned to eliminate duplicates Z: 23 26.085 2.078 0.496 0.900 0.909 0.682 CA 1.405 23 residues pruned to eliminate duplicates Z: 11 23.992 2.123 0.936 0.880 1.000 0.900 CB 1.338 11 residues pruned to eliminate duplicates Z: 20 36.258 2.132 0.932 0.940 1.000 0.895 CB 1.402 22 residues pruned to eliminate duplicates Z: 11 11.336 1.823 -0.003 0.880 1.000 1.000 CA 1.428 10 residues pruned to eliminate duplicates Z: 11 22.023 2.211 0.621 0.896 1.000 0.800 CB 1.392 11 residues pruned to eliminate duplicates Z: 17 22.224 2.075 0.533 0.844 0.938 0.625 CB 1.386 16 residues pruned to eliminate duplicates Z: 6 13.435 2.094 0.412 0.836 1.000 1.000 CB 1.521 6 residues pruned to eliminate duplicates Z: 20 29.301 2.011 0.567 0.899 1.000 0.842 CA 1.525 20 residues pruned to eliminate duplicates Z: 12 26.180 2.247 0.648 0.938 1.000 0.909 CB 1.482 12 residues pruned to eliminate duplicates Z: 24 24.175 1.965 0.434 0.890 1.000 0.870 CB 1.287 24 residues pruned to eliminate duplicates Z: 10 20.109 2.033 0.665 0.885 1.000 0.667 CA 1.430 10 residues pruned to eliminate duplicates Z: 12 25.741 1.978 0.816 0.912 1.000 0.727 CA 1.529 Z: 25 27.528 2.007 0.636 0.925 0.958 0.875 CB 1.253 24 residues pruned to eliminate duplicates Z: 24 21.790 2.078 0.223 0.899 0.957 0.696 CA 1.337 24 residues pruned to eliminate duplicates Z: 9 7.673 2.024 -0.023 0.871 0.875 0.875 CA 1.144 9 residues pruned to eliminate duplicates Z: 13 18.518 2.007 0.431 0.900 1.000 0.917 CB 1.329 13 residues pruned to eliminate duplicates Z: 11 17.837 2.105 0.272 0.898 1.000 0.600 CB 1.507 11 residues pruned to eliminate duplicates Z: 18 21.290 1.996 0.738 0.680 0.882 0.824 CA 1.430 Z: 12 12.964 1.995 0.108 0.903 1.000 0.909 CB 1.261 Z: 24 33.786 2.113 0.704 0.908 1.000 0.783 CB 1.390 24 residues pruned to eliminate duplicates Z: 13 20.642 2.012 0.532 0.916 1.000 1.000 CB 1.365 12 residues pruned to eliminate duplicates Z: 9 11.538 1.808 0.597 0.783 1.000 0.625 CA 1.101 Z: 6 3.107 1.568 0.347 0.690 0.600 0.400 CA 0.922 6 residues pruned to eliminate duplicates Z: 16 17.315 1.939 0.362 0.832 1.000 0.667 CB 1.271 16 residues pruned to eliminate duplicates Z: 11 26.177 2.204 0.868 0.902 1.000 0.600 CB 1.435 Z: 12 12.003 1.672 0.278 0.891 1.000 0.909 CA 1.218 Z: 10 10.947 1.849 0.219 0.801 1.000 0.778 CA 1.244 10 residues pruned to eliminate duplicates Z: 22 27.693 2.100 0.545 0.886 1.000 0.762 CB 1.343 22 residues pruned to eliminate duplicates Z: 24 30.827 2.014 0.788 0.914 0.957 0.609 CB 1.320 24 residues pruned to eliminate duplicates Z: 9 11.241 2.100 0.043 0.841 1.000 0.875 CB 1.353 9 residues pruned to eliminate duplicates Z: 11 22.419 1.926 0.864 0.879 1.000 0.800 CA 1.432 10 residues pruned to eliminate duplicates Z: 14 19.328 1.937 0.441 0.934 1.000 0.692 CB 1.339 13 residues pruned to eliminate duplicates Z: 9 11.017 1.927 0.448 0.816 0.875 0.625 CA 1.212 9 residues pruned to eliminate duplicates Z: 19 33.026 2.158 0.811 0.931 0.944 0.722 CB 1.473 19 residues pruned to eliminate duplicates Z: 22 32.096 2.087 0.800 0.939 0.905 0.810 CB 1.432 22 residues pruned to eliminate duplicates Z: 10 6.087 1.821 0.337 0.456 0.778 0.444 CA 1.120 Z: 21 34.797 2.091 0.778 0.917 1.000 0.550 CB 1.477 21 residues pruned to eliminate duplicates Z: 9 12.950 1.893 0.197 0.790 1.000 0.500 CB 1.567 9 residues pruned to eliminate duplicates Z: 19 21.442 1.863 0.502 0.855 1.000 0.722 CB 1.333 17 residues pruned to eliminate duplicates Z: 13 12.858 1.889 0.739 0.843 0.917 0.667 CB 0.918 13 residues pruned to eliminate duplicates Z: 22 18.057 1.767 0.582 0.825 0.952 0.524 CB 1.117 12 residues pruned to eliminate duplicates Z: 16 23.533 1.859 0.682 0.901 1.000 0.867 CB 1.387 Z: 15 24.564 2.036 0.639 0.876 1.000 0.786 CA 1.430 16 residues pruned to eliminate duplicates Z: 36 18.147 1.856 0.604 0.594 0.857 0.457 CB 1.099 15 residues pruned to eliminate duplicates Z: 22 20.003 2.016 0.664 0.462 0.905 0.333 CA 1.494 9 residues pruned to eliminate duplicates Z: 13 25.951 2.025 0.769 0.917 1.000 0.750 CB 1.476 Z: 16 22.195 2.067 0.743 0.925 0.933 0.600 CB 1.196 21 residues pruned to eliminate duplicates Z: 7 10.330 2.073 0.156 0.856 1.000 0.667 CA 1.298 7 residues pruned to eliminate duplicates Z: 21 32.673 2.058 0.714 0.909 1.000 0.800 CB 1.470 21 residues pruned to eliminate duplicates Z: 8 12.113 2.088 0.140 0.800 1.000 0.429 CA 1.479 8 residues pruned to eliminate duplicates Z: 13 19.185 1.975 0.531 0.890 1.000 0.833 CA 1.317 13 residues pruned to eliminate duplicates Z: 12 21.136 1.928 0.698 0.862 1.000 0.545 CB 1.429 12 residues pruned to eliminate duplicates Z: 16 24.676 2.125 0.564 0.892 1.000 0.533 CB 1.377 17 residues pruned to eliminate duplicates Z: 10 21.478 2.049 0.773 0.862 1.000 0.556 CA 1.446 10 residues pruned to eliminate duplicates Z: 7 9.346 1.872 0.243 0.842 1.000 0.500 CB 1.221 7 residues pruned to eliminate duplicates Z: 19 20.027 2.096 0.357 0.922 0.944 0.667 CB 1.236 19 residues pruned to eliminate duplicates Z: 23 33.380 2.143 0.629 0.897 0.955 0.545 CA 1.529 24 residues pruned to eliminate duplicates Z: 18 20.489 1.949 0.283 0.911 1.000 0.824 CB 1.408 18 residues pruned to eliminate duplicates Z: 21 33.583 2.109 0.674 0.915 1.000 0.800 CB 1.502 21 residues pruned to eliminate duplicates Z: 14 14.612 1.934 0.130 0.914 1.000 0.923 CA 1.311 14 residues pruned to eliminate duplicates Z: 12 23.397 2.053 0.706 0.908 1.000 0.727 CA 1.431 12 residues pruned to eliminate duplicates Z: 11 16.385 1.941 0.471 0.844 1.000 0.800 CA 1.350 11 residues pruned to eliminate duplicates Z: 24 22.499 1.965 0.690 0.875 0.826 0.304 CB 1.243 20 residues pruned to eliminate duplicates Z: 16 19.806 2.156 0.395 0.882 0.933 0.733 CA 1.318 16 residues pruned to eliminate duplicates Z: 7 12.091 2.076 0.514 0.787 0.833 0.167 CB 1.465 7 residues pruned to eliminate duplicates Z: 22 30.730 2.049 0.640 0.895 1.000 0.714 CB 1.431 22 residues pruned to eliminate duplicates Z: 26 22.092 2.024 0.423 0.847 1.000 0.640 CB 1.139 26 residues pruned to eliminate duplicates Z: 21 30.820 2.063 0.773 0.919 1.000 0.650 CB 1.327 21 residues pruned to eliminate duplicates Z: 14 19.896 1.933 0.643 0.923 1.000 0.846 CB 1.221 13 residues pruned to eliminate duplicates Z: 17 18.493 1.943 0.391 0.862 0.938 0.562 CB 1.340 20 residues pruned to eliminate duplicates Z: 12 27.146 2.011 0.769 0.914 1.000 0.727 CA 1.627 12 residues pruned to eliminate duplicates Z: 16 20.274 1.936 0.387 0.899 1.000 0.933 CB 1.394 17 residues pruned to eliminate duplicates Z: 16 24.719 1.962 0.784 0.901 1.000 0.867 CB 1.302 16 residues pruned to eliminate duplicates Z: 6 13.929 2.014 0.539 0.855 1.000 0.800 CB 1.484 6 residues pruned to eliminate duplicates Z: 10 10.355 1.955 0.378 0.830 0.889 0.556 CA 1.083 9 residues pruned to eliminate duplicates Z: 12 18.011 2.172 0.503 0.881 0.909 0.636 CA 1.325 12 residues pruned to eliminate duplicates Z: 47 31.030 2.040 0.402 0.682 0.957 0.674 CB 1.415 34 residues pruned to eliminate duplicates Z: 22 26.148 2.085 0.367 0.951 1.000 0.952 CB 1.379 22 residues pruned to eliminate duplicates Z: 10 13.581 1.867 0.307 0.853 1.000 0.778 CB 1.370 10 residues pruned to eliminate duplicates Z: 10 16.068 2.050 0.605 0.900 0.889 0.556 CA 1.309 9 residues pruned to eliminate duplicates Z: 9 11.166 1.994 0.033 0.855 1.000 0.625 CA 1.414 Z: 13 11.826 1.916 0.388 0.559 1.000 0.750 CB 1.212 13 residues pruned to eliminate duplicates Z: 13 18.271 2.147 0.430 0.935 1.000 0.917 CA 1.198 13 residues pruned to eliminate duplicates Z: 23 34.163 2.079 0.854 0.936 1.000 0.682 CB 1.316 23 residues pruned to eliminate duplicates Z: 18 24.627 1.926 0.550 0.861 1.000 0.706 CB 1.470 17 residues pruned to eliminate duplicates Z: 25 20.816 2.024 0.615 0.455 0.917 0.458 CA 1.485 19 residues pruned to eliminate duplicates Z: 12 25.654 1.949 0.934 0.906 1.000 0.727 CA 1.459 12 residues pruned to eliminate duplicates Z: 22 37.055 2.054 0.920 0.890 1.000 0.667 CB 1.475 22 residues pruned to eliminate duplicates Z: 23 26.579 2.053 0.650 0.901 0.909 0.909 CB 1.314 23 residues pruned to eliminate duplicates Z: 12 23.415 2.023 0.850 0.893 1.000 0.909 CB 1.354 12 residues pruned to eliminate duplicates Z: 22 20.706 2.051 0.415 0.912 1.000 0.762 CB 1.103 23 residues pruned to eliminate duplicates Z: 20 34.161 2.051 0.866 0.901 1.000 0.632 CB 1.462 20 residues pruned to eliminate duplicates Z: 14 22.442 1.883 0.585 0.932 1.000 0.923 CB 1.456 14 residues pruned to eliminate duplicates Z: 10 15.121 1.671 0.695 0.892 1.000 0.667 CA 1.278 10 residues pruned to eliminate duplicates Z: 12 11.176 2.154 0.021 0.916 0.909 0.909 CA 1.190 12 residues pruned to eliminate duplicates Z: 23 32.453 2.085 0.811 0.905 1.000 0.727 CB 1.304 23 residues pruned to eliminate duplicates Z: 16 8.365 1.676 0.620 0.348 0.800 0.600 CB 1.172 Z: 12 15.763 1.685 0.588 0.870 1.000 0.909 CA 1.296 12 residues pruned to eliminate duplicates Z: 37 20.624 1.872 0.620 0.566 0.917 0.417 CB 1.160 36 residues pruned to eliminate duplicates Z: 11 20.317 2.140 0.408 0.901 1.000 0.800 CB 1.522 11 residues pruned to eliminate duplicates Z: 13 23.958 2.025 0.579 0.897 1.000 0.833 CA 1.548 14 residues pruned to eliminate duplicates Z: 91 44.637 2.037 0.533 0.627 0.956 0.622 CB 1.400 89 residues pruned to eliminate duplicates Z: 19 24.248 2.134 0.457 0.909 1.000 0.778 CB 1.304 19 residues pruned to eliminate duplicates Z: 11 18.863 1.918 0.544 0.848 1.000 0.600 CA 1.494 11 residues pruned to eliminate duplicates Z: 6 7.122 2.100 0.033 0.842 1.000 0.800 CA 1.094 6 residues pruned to eliminate duplicates Z: 23 28.514 2.178 0.405 0.893 1.000 0.818 CA 1.426 23 residues pruned to eliminate duplicates Z: 24 27.649 2.115 0.419 0.918 0.957 0.696 CB 1.416 24 residues pruned to eliminate duplicates Z: 23 12.889 1.674 0.228 0.561 0.955 0.773 CA 1.319 Z: 9 13.822 1.649 0.665 0.864 1.000 0.625 CB 1.305 13 residues pruned to eliminate duplicates Z: 16 20.514 1.881 0.474 0.859 1.000 0.800 CB 1.406 16 residues pruned to eliminate duplicates Z: 21 38.383 2.079 0.982 0.906 1.000 0.800 CB 1.482 21 residues pruned to eliminate duplicates Z: 33 15.528 1.773 0.468 0.518 0.906 0.656 CB 1.143 26 residues pruned to eliminate duplicates Z: 11 26.891 2.021 0.929 0.933 1.000 1.000 CA 1.523 11 residues pruned to eliminate duplicates Z: 13 17.617 1.937 0.672 0.893 1.000 0.833 CA 1.127 13 residues pruned to eliminate duplicates Z: 9 8.363 1.699 0.305 0.817 1.000 0.750 CB 1.012 9 residues pruned to eliminate duplicates Z: 12 8.555 1.734 0.395 0.445 0.909 0.909 CB 1.241 12 residues pruned to eliminate duplicates Z: 18 21.483 1.918 0.453 0.868 1.000 0.706 CB 1.368 18 residues pruned to eliminate duplicates Z: 22 36.077 2.188 0.693 0.893 1.000 0.571 CA 1.526 22 residues pruned to eliminate duplicates Z: 22 33.683 2.076 0.772 0.939 1.000 0.619 CB 1.389 22 residues pruned to eliminate duplicates Z: 9 10.111 1.891 0.242 0.745 1.000 0.375 CA 1.223 9 residues pruned to eliminate duplicates Z: 16 21.139 2.105 0.530 0.855 1.000 0.667 CA 1.250 16 residues pruned to eliminate duplicates Z: 9 11.629 1.909 0.145 0.907 1.000 1.000 CB 1.337 9 residues pruned to eliminate duplicates Z: 41 32.721 2.066 0.643 0.530 0.950 0.450 CB 1.557 31 residues pruned to eliminate duplicates Z: 23 26.919 2.129 0.442 0.879 0.955 0.818 CA 1.420 23 residues pruned to eliminate duplicates Z: 18 24.735 1.929 0.561 0.883 1.000 0.529 CB 1.441 18 residues pruned to eliminate duplicates Z: 23 26.524 1.936 0.683 0.902 0.955 0.727 CA 1.297 23 residues pruned to eliminate duplicates Z: 13 14.161 1.868 0.352 0.866 1.000 0.750 CA 1.185 13 residues pruned to eliminate duplicates Z: 11 15.829 2.140 0.344 0.858 1.000 0.900 CB 1.281 11 residues pruned to eliminate duplicates Z: 11 21.891 2.048 0.807 0.842 0.900 0.700 CA 1.549 11 residues pruned to eliminate duplicates Z: 10 16.402 2.212 0.484 0.866 0.889 0.444 CB 1.371 10 residues pruned to eliminate duplicates Z: 17 17.201 2.007 0.172 0.897 1.000 0.750 CB 1.309 17 residues pruned to eliminate duplicates Z: 11 24.784 2.084 0.958 0.896 0.900 0.600 CA 1.529 12 residues pruned to eliminate duplicates Z: 24 29.855 2.083 0.630 0.904 0.957 0.870 CA 1.365 24 residues pruned to eliminate duplicates Z: 11 13.369 1.890 0.510 0.786 0.900 0.700 CA 1.280 Z: 12 23.079 2.007 0.989 0.870 1.000 0.636 CA 1.273 12 residues pruned to eliminate duplicates Z: 18 17.109 1.944 0.354 0.897 1.000 0.882 CB 1.128 18 residues pruned to eliminate duplicates Z: 12 20.327 2.048 0.505 0.883 1.000 0.545 CA 1.438 12 residues pruned to eliminate duplicates Z: 16 16.967 2.017 0.165 0.885 1.000 0.933 CB 1.347 16 residues pruned to eliminate duplicates Z: 23 22.917 2.038 0.600 0.517 0.955 0.591 CB 1.545 23 residues pruned to eliminate duplicates Z: 22 23.934 2.001 0.347 0.889 0.952 0.667 CB 1.465 21 residues pruned to eliminate duplicates Z: 10 8.674 1.886 -0.044 0.795 1.000 0.667 CB 1.237 10 residues pruned to eliminate duplicates Z: 18 22.239 2.022 0.612 0.858 0.941 0.706 CB 1.294 18 residues pruned to eliminate duplicates Z: 20 41.116 2.204 0.975 0.946 1.000 0.579 CB 1.499 21 residues pruned to eliminate duplicates Z: 19 16.477 2.042 0.135 0.902 1.000 0.778 CA 1.196 19 residues pruned to eliminate duplicates Z: 18 19.096 1.924 0.497 0.905 0.941 0.824 CB 1.217 18 residues pruned to eliminate duplicates Z: 25 20.808 2.010 0.389 0.868 0.958 0.750 CB 1.160 25 residues pruned to eliminate duplicates Z: 10 10.607 1.576 0.247 0.896 1.000 0.778 CB 1.289 Z: 11 10.857 1.741 0.393 0.841 0.800 0.500 CA 1.320 11 residues pruned to eliminate duplicates Z: 24 29.839 2.120 0.520 0.915 1.000 0.826 CA 1.364 24 residues pruned to eliminate duplicates Z: 7 9.130 2.012 0.818 0.395 0.833 0.667 CB 1.367 7 residues pruned to eliminate duplicates Z: 31 22.719 2.016 0.537 0.541 0.933 0.367 CA 1.378 31 residues pruned to eliminate duplicates Z: 23 22.840 2.064 0.496 0.858 0.955 0.500 CB 1.216 23 residues pruned to eliminate duplicates Z: 7 8.454 1.924 0.565 0.735 0.833 0.500 CB 1.115 7 residues pruned to eliminate duplicates Z: 13 19.657 1.981 0.673 0.890 1.000 0.750 CA 1.232 13 residues pruned to eliminate duplicates Z: 16 24.421 1.966 0.789 0.891 0.933 0.533 CA 1.381 16 residues pruned to eliminate duplicates Z: 117 46.679 2.005 0.595 0.671 0.879 0.543 CB 1.317 117 residues pruned to eliminate duplicates Z: 17 22.518 1.879 0.686 0.847 1.000 0.750 CA 1.319 17 residues pruned to eliminate duplicates Z: 13 15.875 2.034 0.454 0.899 1.000 1.000 CA 1.108 13 residues pruned to eliminate duplicates Z: 25 21.613 1.985 0.694 0.688 0.917 0.333 CB 1.205 26 residues pruned to eliminate duplicates Z: 7 7.619 1.672 0.362 0.795 1.000 0.333 CB 1.054 7 residues pruned to eliminate duplicates Z: 8 5.312 2.029 0.511 0.220 0.714 0.571 CB 1.273 Z: 13 9.594 1.883 0.570 0.882 1.000 0.833 CB 0.678 13 residues pruned to eliminate duplicates Z: 11 18.947 2.025 0.644 0.850 1.000 0.700 CA 1.333 11 residues pruned to eliminate duplicates Z: 24 18.304 1.968 0.408 0.522 0.913 0.435 CA 1.476 24 residues pruned to eliminate duplicates Z: 14 19.221 2.025 0.752 0.858 0.846 0.692 CA 1.307 14 residues pruned to eliminate duplicates Z: 19 13.050 1.776 0.503 0.581 0.889 0.556 CB 1.199 Z: 13 12.635 1.801 0.742 0.765 0.917 0.583 CA 1.002 11 residues pruned to eliminate duplicates Z: 16 21.634 1.990 0.624 0.908 1.000 0.733 CB 1.228 16 residues pruned to eliminate duplicates Z: 74 38.782 2.034 0.591 0.658 0.932 0.658 CB 1.300 74 residues pruned to eliminate duplicates Z: 12 10.805 1.737 0.540 0.475 1.000 0.636 CB 1.249 16 residues pruned to eliminate duplicates Z: 17 19.942 2.063 0.542 0.877 1.000 0.625 CB 1.139 17 residues pruned to eliminate duplicates Z: 10 10.509 2.139 -0.103 0.862 1.000 0.889 CB 1.341 10 residues pruned to eliminate duplicates Z: 23 14.236 1.946 0.416 0.498 0.864 0.545 CB 1.279 23 residues pruned to eliminate duplicates Z: 7 9.003 1.575 0.743 0.886 1.000 1.000 CA 0.966 8 residues pruned to eliminate duplicates Z: 9 12.549 1.956 0.469 0.751 0.875 0.625 CA 1.411 9 residues pruned to eliminate duplicates Z: 14 20.698 2.045 0.671 0.883 0.923 0.615 CA 1.316 11 residues pruned to eliminate duplicates Z: 12 13.093 2.057 0.001 0.915 0.909 0.818 CA 1.491 12 residues pruned to eliminate duplicates Z: 18 15.350 1.911 0.560 0.597 0.941 0.529 CB 1.210 19 residues pruned to eliminate duplicates Z: 13 25.298 2.161 0.717 0.922 1.000 0.833 CA 1.384 14 residues pruned to eliminate duplicates Z: 12 15.977 1.822 0.686 0.781 1.000 0.727 CB 1.224 12 residues pruned to eliminate duplicates Z: 18 20.633 1.986 0.356 0.919 1.000 0.824 CB 1.310 18 residues pruned to eliminate duplicates Z: 13 25.379 2.083 0.745 0.926 1.000 0.667 CB 1.413 13 residues pruned to eliminate duplicates Z: 13 22.754 2.032 0.536 0.911 1.000 0.917 CA 1.492 13 residues pruned to eliminate duplicates Z: 12 19.674 2.074 0.706 0.897 1.000 0.909 CA 1.200 12 residues pruned to eliminate duplicates Z: 12 20.257 2.135 0.529 0.913 0.909 0.818 CB 1.456 12 residues pruned to eliminate duplicates Z: 6 6.275 1.499 0.734 0.649 0.800 0.800 CB 1.175 Z: 10 17.840 2.025 0.550 0.910 1.000 0.889 CA 1.344 10 residues pruned to eliminate duplicates Z: 11 10.558 1.695 0.192 0.867 1.000 0.800 CB 1.209 11 residues pruned to eliminate duplicates Z: 24 31.965 1.999 0.842 0.901 0.957 0.609 CB 1.351 24 residues pruned to eliminate duplicates Z: 8 13.735 1.980 0.399 0.906 1.000 1.000 CB 1.332 8 residues pruned to eliminate duplicates Z: 11 24.647 2.080 0.736 0.893 1.000 0.600 CA 1.549 11 residues pruned to eliminate duplicates Z: 8 4.981 1.931 -0.085 0.598 1.000 0.571 CB 0.970 8 residues pruned to eliminate duplicates Z: 22 38.009 2.090 0.934 0.935 1.000 0.667 CB 1.430 22 residues pruned to eliminate duplicates Z: 23 26.497 2.086 0.559 0.919 0.955 0.727 CB 1.282 22 residues pruned to eliminate duplicates Z: 11 15.694 1.906 0.436 0.887 1.000 1.000 CA 1.307 11 residues pruned to eliminate duplicates Z: 18 15.470 1.692 0.455 0.639 1.000 0.706 CA 1.338 18 residues pruned to eliminate duplicates Z: 8 7.166 2.141 0.015 0.683 0.857 0.429 CB 1.229 8 residues pruned to eliminate duplicates Z: 11 19.475 2.168 0.823 0.808 1.000 0.800 CB 1.192 11 residues pruned to eliminate duplicates Z: 8 12.276 1.690 0.573 0.869 1.000 0.571 CB 1.275 10 residues pruned to eliminate duplicates Z: 12 25.097 2.103 1.014 0.892 0.909 0.545 CA 1.411 12 residues pruned to eliminate duplicates Z: 6 13.851 1.792 0.856 0.811 1.000 1.000 CA 1.420 Z: 11 13.407 1.853 0.166 0.894 1.000 1.000 CB 1.408 11 residues pruned to eliminate duplicates Z: 27 16.373 1.926 0.637 0.531 0.731 0.423 CB 1.352 27 residues pruned to eliminate duplicates Z: 9 13.691 1.727 0.370 0.913 1.000 0.875 CB 1.448 8 residues pruned to eliminate duplicates Z: 22 25.844 2.117 0.537 0.896 1.000 0.714 CB 1.242 22 residues pruned to eliminate duplicates Z: 17 23.037 1.949 0.663 0.844 1.000 0.500 CA 1.322 16 residues pruned to eliminate duplicates Z: 6 4.117 1.695 0.421 0.398 0.800 0.400 CA 1.064 6 residues pruned to eliminate duplicates Z: 19 26.078 2.008 0.889 0.883 0.889 0.500 CB 1.318 19 residues pruned to eliminate duplicates Z: 19 9.260 1.895 0.201 0.473 0.889 0.333 CB 1.109 19 residues pruned to eliminate duplicates Z: 10 17.348 2.128 0.577 0.901 1.000 1.000 CB 1.230 10 residues pruned to eliminate duplicates Z: 19 27.267 2.190 0.755 0.559 0.944 0.500 CA 1.671 26 residues pruned to eliminate duplicates Z: 15 17.769 1.948 0.303 0.900 1.000 0.786 CA 1.336 15 residues pruned to eliminate duplicates Z: 25 22.349 2.067 0.683 0.516 0.833 0.625 CA 1.549 25 residues pruned to eliminate duplicates Z: 27 16.852 1.712 0.362 0.548 0.962 0.692 CB 1.406 19 residues pruned to eliminate duplicates Z: 13 15.614 2.007 0.463 0.797 0.917 0.750 CA 1.292 13 residues pruned to eliminate duplicates Z: 18 14.593 1.758 0.432 0.616 0.941 0.824 CB 1.338 Z: 9 7.769 1.706 0.805 0.527 0.875 0.500 N 0.993 Z: 24 25.899 2.061 0.506 0.884 0.957 0.783 CB 1.314 24 residues pruned to eliminate duplicates Z: 10 12.179 1.909 0.407 0.766 1.000 0.556 CA 1.194 10 residues pruned to eliminate duplicates Z: 13 21.280 1.913 0.763 0.890 1.000 0.833 CA 1.310 13 residues pruned to eliminate duplicates Z: 12 22.484 2.167 0.558 0.926 1.000 0.909 CB 1.409 12 residues pruned to eliminate duplicates Z: 12 19.686 2.185 0.625 0.914 0.909 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 6 9.276 2.174 0.430 0.787 0.800 0.600 CA 1.297 6 residues pruned to eliminate duplicates Z: 22 20.813 2.098 0.423 0.852 0.952 0.810 CB 1.182 22 residues pruned to eliminate duplicates Z: 21 38.104 2.080 0.978 0.944 1.000 0.500 CB 1.435 22 residues pruned to eliminate duplicates Z: 14 24.250 2.015 0.685 0.867 1.000 0.769 CA 1.449 14 residues pruned to eliminate duplicates Z: 11 13.173 1.870 0.636 0.811 0.800 0.600 CB 1.298 11 residues pruned to eliminate duplicates Z: 18 20.010 1.977 0.357 0.841 1.000 0.647 CB 1.350 18 residues pruned to eliminate duplicates Z: 9 12.941 1.649 0.419 0.898 1.000 0.750 O 1.399 9 residues pruned to eliminate duplicates Z: 15 10.216 1.771 0.253 0.575 0.857 0.643 CB 1.335 15 residues pruned to eliminate duplicates Z: 8 11.291 1.894 0.215 0.857 1.000 0.714 CA 1.366 8 residues pruned to eliminate duplicates Z: 12 19.833 1.951 0.640 0.911 1.000 1.000 CA 1.325 12 residues pruned to eliminate duplicates Z: 10 5.017 1.502 0.139 0.486 0.889 0.333 C 1.116 Z: 24 23.711 2.063 0.509 0.908 0.913 0.609 CA 1.236 24 residues pruned to eliminate duplicates Z: 20 21.816 2.102 0.413 0.893 0.947 0.737 CB 1.278 20 residues pruned to eliminate duplicates Z: 22 32.941 2.056 0.875 0.921 1.000 0.667 CB 1.313 22 residues pruned to eliminate duplicates Z: 9 11.703 1.738 0.612 0.608 1.000 0.375 C 1.332 9 residues pruned to eliminate duplicates Z: 9 3.519 1.576 -0.184 0.720 0.875 0.500 CB 0.907 Z: 16 23.406 1.891 0.785 0.872 1.000 0.733 CA 1.305 16 residues pruned to eliminate duplicates Z: 9 6.605 1.638 0.051 0.803 1.000 0.875 CA 1.040 9 residues pruned to eliminate duplicates Z: 6 9.834 2.048 0.480 0.449 1.000 0.800 CA 1.529 Z: 25 15.637 1.751 0.512 0.514 0.875 0.583 CA 1.358 25 residues pruned to eliminate duplicates Z: 21 26.378 2.129 0.564 0.926 1.000 0.950 CB 1.242 21 residues pruned to eliminate duplicates Z: 25 32.137 2.057 0.690 0.906 0.958 0.292 CA 1.400 24 residues pruned to eliminate duplicates Z: 23 29.722 2.042 1.050 0.910 0.864 0.409 CB 1.243 23 residues pruned to eliminate duplicates Z: 14 21.299 2.045 0.699 0.874 0.923 0.692 CA 1.340 14 residues pruned to eliminate duplicates Z: 17 20.603 1.982 0.629 0.821 0.938 0.688 CB 1.288 17 residues pruned to eliminate duplicates Z: 9 11.065 1.958 0.319 0.797 0.875 0.500 CB 1.334 9 residues pruned to eliminate duplicates Z: 12 22.773 2.123 0.567 0.915 1.000 0.818 CB 1.459 12 residues pruned to eliminate duplicates Z: 11 18.715 1.979 0.609 0.890 0.900 0.400 CA 1.486 11 residues pruned to eliminate duplicates Z: 8 9.577 1.802 0.515 0.714 0.857 0.714 CA 1.275 8 residues pruned to eliminate duplicates Z: 11 11.806 1.930 0.189 0.918 1.000 0.400 CA 1.147 11 residues pruned to eliminate duplicates Z: 9 7.089 1.920 -0.264 0.837 1.000 0.750 CB 1.327 9 residues pruned to eliminate duplicates Z: 17 20.177 2.009 0.351 0.883 1.000 0.750 CB 1.344 17 residues pruned to eliminate duplicates Z: 17 20.595 2.000 0.418 0.899 1.000 0.875 CA 1.297 17 residues pruned to eliminate duplicates Z: 22 35.945 2.114 1.037 0.929 0.952 0.619 CB 1.338 22 residues pruned to eliminate duplicates Z: 16 21.157 1.970 0.490 0.897 1.000 0.733 CB 1.331 16 residues pruned to eliminate duplicates Z: 10 7.887 1.695 0.178 0.811 1.000 0.556 CB 1.004 10 residues pruned to eliminate duplicates Z: 17 25.010 2.021 0.703 0.905 0.938 0.688 CB 1.379 17 residues pruned to eliminate duplicates Z: 15 14.768 1.944 0.535 0.615 0.929 0.714 CA 1.278 15 residues pruned to eliminate duplicates Z: 22 23.071 2.083 0.471 0.912 1.000 0.714 CB 1.163 22 residues pruned to eliminate duplicates Z: 11 17.003 1.918 0.539 0.836 1.000 0.900 CA 1.363 11 residues pruned to eliminate duplicates Z: 6 3.618 1.571 0.408 0.708 1.000 0.600 CB 0.606 6 residues pruned to eliminate duplicates Z: 25 24.944 1.948 0.541 0.769 0.917 0.708 CA 1.458 23 residues pruned to eliminate duplicates Z: 17 25.324 2.075 0.664 0.893 1.000 0.562 CB 1.316 17 residues pruned to eliminate duplicates Z: 17 22.122 1.962 0.550 0.882 1.000 0.688 CB 1.316 17 residues pruned to eliminate duplicates Z: 9 9.469 1.723 0.636 0.556 0.875 0.875 CB 1.285 7 residues pruned to eliminate duplicates Z: 55 37.474 2.077 0.606 0.657 0.907 0.537 CB 1.457 56 residues pruned to eliminate duplicates Z: 23 37.550 2.087 0.972 0.905 1.000 0.455 CB 1.384 23 residues pruned to eliminate duplicates Z: 6 10.043 2.012 0.261 0.800 1.000 0.600 CB 1.362 6 residues pruned to eliminate duplicates Z: 22 19.289 2.043 0.326 0.864 0.952 0.857 CB 1.196 22 residues pruned to eliminate duplicates Z: 24 23.188 2.027 0.479 0.879 0.957 0.826 CB 1.222 24 residues pruned to eliminate duplicates Z: 24 18.831 2.009 0.512 0.482 0.826 0.435 CA 1.593 18 residues pruned to eliminate duplicates Z: 19 34.873 2.073 0.949 0.883 0.944 0.333 CB 1.557 19 residues pruned to eliminate duplicates Z: 20 19.441 2.090 0.382 0.889 0.895 0.579 CB 1.243 20 residues pruned to eliminate duplicates Z: 16 6.154 1.554 0.413 0.413 0.733 0.400 CB 1.081 16 residues pruned to eliminate duplicates Z: 13 15.118 1.958 0.344 0.898 1.000 0.833 CA 1.186 13 residues pruned to eliminate duplicates Z: 21 27.320 2.162 0.525 0.932 1.000 0.850 CB 1.293 21 residues pruned to eliminate duplicates Z: 6 3.969 1.710 -0.227 0.824 1.000 1.000 CB 1.014 6 residues pruned to eliminate duplicates Z: 16 16.713 1.950 0.519 0.780 0.933 0.800 CA 1.220 16 residues pruned to eliminate duplicates Z: 26 23.234 1.893 0.394 0.767 1.000 0.760 CA 1.390 26 residues pruned to eliminate duplicates Z: 12 25.299 1.989 0.970 0.913 1.000 0.455 CA 1.378 12 residues pruned to eliminate duplicates Z: 10 6.155 1.634 0.179 0.860 0.889 0.778 CB 0.881 10 residues pruned to eliminate duplicates Z: 12 25.692 2.223 0.899 0.928 1.000 0.636 CA 1.285 12 residues pruned to eliminate duplicates Z: 12 13.018 1.912 0.571 0.849 0.818 0.364 CB 1.184 12 residues pruned to eliminate duplicates Z: 14 22.869 2.103 0.769 0.701 1.000 0.846 CA 1.419 14 residues pruned to eliminate duplicates Z: 13 10.365 1.787 0.532 0.415 1.000 0.667 CA 1.194 13 residues pruned to eliminate duplicates Z: 11 12.350 2.052 0.350 0.805 1.000 0.600 CB 1.081 11 residues pruned to eliminate duplicates Z: 9 14.104 1.599 0.699 0.897 1.000 0.875 N 1.315 9 residues pruned to eliminate duplicates Z: 9 2.557 1.526 -0.206 0.419 0.875 0.375 CB 0.928 Z: 11 16.661 1.949 0.505 0.884 1.000 0.900 CA 1.298 11 residues pruned to eliminate duplicates Z: 11 22.255 1.911 0.862 0.905 1.000 0.500 CA 1.407 11 residues pruned to eliminate duplicates Z: 10 10.199 1.843 0.110 0.861 1.000 0.667 CA 1.221 10 residues pruned to eliminate duplicates Z: 10 6.087 1.655 0.313 0.365 1.000 0.667 CB 1.079 10 residues pruned to eliminate duplicates Z: 19 19.577 2.093 0.685 0.536 0.833 0.500 CA 1.516 19 residues pruned to eliminate duplicates Z: 18 16.021 1.752 0.539 0.636 0.941 0.647 CB 1.348 18 residues pruned to eliminate duplicates Z: 9 7.651 1.731 0.159 0.799 0.875 0.500 CB 1.186 9 residues pruned to eliminate duplicates Z: 23 34.489 2.039 0.985 0.949 0.955 0.500 CB 1.314 23 residues pruned to eliminate duplicates Z: 6 3.050 1.526 -0.188 0.689 1.000 0.600 O 0.926 Z: 13 7.284 1.674 0.316 0.408 0.917 0.583 CB 1.146 13 residues pruned to eliminate duplicates Z: 15 7.421 1.574 0.334 0.426 0.929 0.643 CB 1.099 15 residues pruned to eliminate duplicates Z: 6 8.986 2.021 0.512 0.640 1.000 0.800 CA 1.154 6 residues pruned to eliminate duplicates Z: 9 11.247 1.777 0.452 0.805 1.000 0.750 CA 1.180 9 residues pruned to eliminate duplicates Z: 20 18.684 2.020 0.725 0.533 0.842 0.632 CA 1.415 20 residues pruned to eliminate duplicates Z: 21 18.360 1.848 0.333 0.704 1.000 0.500 CA 1.385 21 residues pruned to eliminate duplicates Z: 10 10.142 1.752 0.374 0.852 0.889 0.778 CB 1.168 9 residues pruned to eliminate duplicates Z: 10 21.982 2.056 0.669 0.918 1.000 0.889 CA 1.507 10 residues pruned to eliminate duplicates Z: 7 3.341 1.786 -0.286 0.840 1.000 0.833 CB 0.798 7 residues pruned to eliminate duplicates Z: 18 21.057 1.929 0.594 0.856 1.000 0.706 CB 1.225 18 residues pruned to eliminate duplicates Z: 36 29.900 2.043 0.575 0.691 0.943 0.657 CA 1.399 36 residues pruned to eliminate duplicates Z: 23 26.310 2.000 0.556 0.889 1.000 0.818 CA 1.297 23 residues pruned to eliminate duplicates Z: 19 20.269 1.902 0.430 0.867 1.000 0.667 CB 1.285 19 residues pruned to eliminate duplicates Z: 8 3.579 1.572 -0.057 0.521 0.714 0.429 N 1.251 Z: 11 7.310 1.597 0.270 0.523 1.000 0.600 CA 1.114 10 residues pruned to eliminate duplicates Z: 8 10.134 1.711 0.218 0.852 1.000 0.714 CB 1.360 8 residues pruned to eliminate duplicates Z: 12 11.408 1.684 0.799 0.698 0.909 0.455 CB 1.043 12 residues pruned to eliminate duplicates Z: 18 20.829 1.906 0.625 0.781 0.941 0.706 CB 1.353 18 residues pruned to eliminate duplicates Z: 10 9.717 1.558 0.221 0.840 1.000 0.889 CA 1.271 10 residues pruned to eliminate duplicates Z: 7 4.226 1.595 0.468 0.472 0.667 0.500 CB 1.137 7 residues pruned to eliminate duplicates Z: 12 12.860 2.015 0.612 0.768 0.909 0.636 CB 1.036 12 residues pruned to eliminate duplicates Z: 26 18.761 1.980 0.652 0.505 0.800 0.480 CB 1.426 26 residues pruned to eliminate duplicates Z: 10 6.043 1.659 0.139 0.432 1.000 0.778 CB 1.144 10 residues pruned to eliminate duplicates Z: 10 18.138 2.023 0.611 0.888 1.000 0.778 CA 1.336 10 residues pruned to eliminate duplicates Z: 16 5.882 1.506 0.311 0.366 0.867 0.400 CB 1.025 16 residues pruned to eliminate duplicates Z: 12 18.564 2.101 0.502 0.867 1.000 0.727 CA 1.298 12 residues pruned to eliminate duplicates Z: 18 16.101 1.916 0.518 0.839 0.941 0.412 CB 1.066 18 residues pruned to eliminate duplicates Z: 13 22.752 1.990 0.705 0.929 1.000 1.000 CB 1.355 13 residues pruned to eliminate duplicates Z: 11 10.025 1.418 0.524 0.799 1.000 0.700 CA 1.129 11 residues pruned to eliminate duplicates Z: 14 9.757 1.770 0.561 0.329 0.923 0.462 CA 1.280 14 residues pruned to eliminate duplicates Z: 11 9.316 1.772 0.430 0.774 0.800 0.700 CA 1.141 11 residues pruned to eliminate duplicates Z: 13 7.852 1.739 0.385 0.389 0.917 0.583 CB 1.154 14 residues pruned to eliminate duplicates Z: 10 5.768 1.715 0.295 0.477 0.778 0.556 CB 1.139 9 residues pruned to eliminate duplicates Z: 7 5.336 1.755 0.029 0.464 1.000 0.500 CB 1.251 6 residues pruned to eliminate duplicates Z: 10 21.193 2.022 0.751 0.920 1.000 0.667 CA 1.406 10 residues pruned to eliminate duplicates Z: 8 4.710 1.304 0.401 0.732 0.857 0.571 CB 0.923 Z: 8 9.825 1.753 0.433 0.877 1.000 0.714 CB 1.074 8 residues pruned to eliminate duplicates Z: 37 18.770 1.758 0.412 0.554 0.917 0.806 CA 1.305 40 residues pruned to eliminate duplicates Z: 7 5.915 1.628 0.350 0.844 1.000 0.833 CA 0.817 6 residues pruned to eliminate duplicates Z: 10 8.870 1.564 0.145 0.814 1.000 0.889 CA 1.257 10 residues pruned to eliminate duplicates Z: 16 10.496 1.832 0.482 0.407 0.867 0.467 CA 1.270 16 residues pruned to eliminate duplicates Z: 22 15.051 1.635 0.465 0.613 1.000 0.667 CA 1.232 22 residues pruned to eliminate duplicates Z: 9 10.932 1.771 0.293 0.874 1.000 0.875 CB 1.228 9 residues pruned to eliminate duplicates Z: 16 20.195 2.044 0.389 0.889 1.000 0.933 CB 1.322 16 residues pruned to eliminate duplicates Z: 25 8.883 1.702 0.202 0.428 0.875 0.500 CB 1.092 25 residues pruned to eliminate duplicates Z: 7 8.476 1.971 0.733 0.510 0.833 0.500 CA 1.204 7 residues pruned to eliminate duplicates Z: 20 10.628 1.724 0.466 0.464 0.895 0.632 CB 1.119 20 residues pruned to eliminate duplicates Z: 10 6.523 1.912 0.198 0.763 0.556 0.333 CA 1.353 10 residues pruned to eliminate duplicates Z: 20 18.245 1.947 0.586 0.641 0.895 0.632 CB 1.328 20 residues pruned to eliminate duplicates Z: 9 13.107 2.008 0.364 0.797 0.875 0.875 CA 1.492 9 residues pruned to eliminate duplicates Z: 9 14.510 1.773 0.445 0.879 1.000 0.875 CA 1.452 9 residues pruned to eliminate duplicates Z: 8 5.179 1.688 0.237 0.847 0.857 0.857 CB 0.812 8 residues pruned to eliminate duplicates Z: 16 22.484 1.960 0.579 0.870 1.000 0.867 CB 1.370 16 residues pruned to eliminate duplicates Z: 18 20.251 1.923 0.345 0.910 1.000 0.765 CB 1.347 18 residues pruned to eliminate duplicates Z: 16 14.950 1.783 0.586 0.905 1.000 0.867 CB 0.971 17 residues pruned to eliminate duplicates Z: 6 8.231 1.971 0.256 0.849 0.800 0.800 CB 1.378 Z: 11 24.204 2.249 0.772 0.902 1.000 0.700 CB 1.369 11 residues pruned to eliminate duplicates Z: 10 6.914 1.751 0.250 0.518 0.889 0.556 CB 1.163 10 residues pruned to eliminate duplicates Z: 19 20.845 2.119 0.503 0.559 1.000 0.333 CA 1.457 19 residues pruned to eliminate duplicates Z: 17 15.625 1.994 0.426 0.849 0.938 0.750 CB 1.086 17 residues pruned to eliminate duplicates Z: 7 10.526 1.707 0.501 0.887 1.000 1.000 CB 1.210 7 residues pruned to eliminate duplicates Z: 6 6.859 1.736 0.941 0.702 0.800 0.400 CA 0.947 Z: 16 21.554 2.038 0.539 0.876 1.000 0.800 CB 1.289 16 residues pruned to eliminate duplicates Z: 11 17.934 2.027 0.783 0.879 0.900 0.500 CA 1.265 11 residues pruned to eliminate duplicates Z: 21 34.240 2.048 0.829 0.949 1.000 0.750 CB 1.411 21 residues pruned to eliminate duplicates Z: 10 8.125 1.524 0.211 0.792 1.000 0.778 CA 1.136 10 residues pruned to eliminate duplicates Z: 8 2.612 1.387 0.240 0.315 0.714 0.429 CB 0.986 Z: 7 2.449 1.442 0.283 0.408 0.667 0.500 CB 0.893 Z: 13 25.335 2.216 0.744 0.909 0.917 0.667 CB 1.465 13 residues pruned to eliminate duplicates Z: 9 16.050 1.981 0.596 0.918 1.000 0.625 CB 1.266 9 residues pruned to eliminate duplicates Z: 8 9.592 1.764 0.240 0.874 1.000 0.857 CB 1.207 8 residues pruned to eliminate duplicates Z: 6 4.121 1.435 0.346 0.691 0.800 0.800 CB 1.002 6 residues pruned to eliminate duplicates Z: 12 15.504 2.104 0.109 0.924 1.000 0.909 CB 1.408 12 residues pruned to eliminate duplicates Z: 20 8.705 1.605 0.386 0.488 0.895 0.737 CB 1.015 20 residues pruned to eliminate duplicates Z: 24 18.670 2.062 0.403 0.547 0.826 0.565 CA 1.556 24 residues pruned to eliminate duplicates Z: 16 18.981 2.013 0.437 0.903 1.000 0.733 CB 1.207 16 residues pruned to eliminate duplicates Z: 20 15.638 1.761 0.458 0.635 1.000 0.684 CB 1.231 20 residues pruned to eliminate duplicates Z: 13 26.481 2.035 1.017 0.898 1.000 0.750 CA 1.332 14 residues pruned to eliminate duplicates Z: 10 15.763 2.215 0.352 0.890 1.000 0.889 CB 1.263 10 residues pruned to eliminate duplicates Z: 23 30.677 2.023 0.931 0.936 0.909 0.455 CB 1.282 23 residues pruned to eliminate duplicates Z: 21 37.124 2.070 1.101 0.911 0.950 0.350 CA 1.424 21 residues pruned to eliminate duplicates Z: 6 4.750 1.603 -0.086 0.746 1.000 0.400 N 1.164 6 residues pruned to eliminate duplicates Z: 9 13.624 1.831 0.641 0.817 0.875 0.625 CB 1.391 9 residues pruned to eliminate duplicates Z: 13 17.681 1.970 0.597 0.866 1.000 0.750 CA 1.187 13 residues pruned to eliminate duplicates Z: 16 27.294 2.005 1.198 0.923 0.933 0.400 CB 1.203 16 residues pruned to eliminate duplicates Z: 21 13.584 1.675 0.322 0.571 0.950 0.650 CA 1.348 21 residues pruned to eliminate duplicates Z: 11 19.916 2.139 0.543 0.900 1.000 1.000 CB 1.363 11 residues pruned to eliminate duplicates Z: 9 10.814 1.699 0.448 0.872 1.000 0.750 CB 1.133 9 residues pruned to eliminate duplicates Z: 11 18.265 2.120 0.584 0.909 0.900 0.800 CA 1.357 11 residues pruned to eliminate duplicates Z: 12 12.609 1.781 0.570 0.742 0.909 0.636 CB 1.204 13 residues pruned to eliminate duplicates Z: 7 2.950 1.449 0.588 0.349 0.667 0.667 CA 0.925 Z: 23 35.013 2.051 1.043 0.943 0.955 0.364 CB 1.293 23 residues pruned to eliminate duplicates Z: 9 8.093 1.718 0.238 0.913 1.000 0.750 CB 0.952 9 residues pruned to eliminate duplicates Z: 23 27.143 2.167 0.478 0.909 0.909 0.818 CA 1.411 23 residues pruned to eliminate duplicates Z: 15 25.243 1.997 0.698 0.904 1.000 0.929 CA 1.417 15 residues pruned to eliminate duplicates Z: 21 19.075 2.080 0.672 0.501 0.850 0.550 CA 1.441 21 residues pruned to eliminate duplicates Z: 15 16.536 1.827 0.908 0.855 0.929 0.429 CB 1.008 15 residues pruned to eliminate duplicates Z: 8 2.751 1.662 0.469 0.741 0.857 0.429 CB 0.400 Z: 15 22.656 1.884 1.018 0.882 1.000 0.643 CB 1.152 16 residues pruned to eliminate duplicates Z: 21 15.583 1.946 0.636 0.431 0.850 0.450 CA 1.383 21 residues pruned to eliminate duplicates Z: 21 25.607 2.148 0.760 0.874 0.900 0.650 CB 1.225 21 residues pruned to eliminate duplicates Z: 6 2.528 1.414 0.206 0.294 0.800 0.600 CB 1.044 Z: 6 3.451 1.668 0.214 0.402 0.800 0.400 CB 1.056 6 residues pruned to eliminate duplicates Z: 25 20.352 1.978 0.485 0.595 0.958 0.500 CB 1.348 25 residues pruned to eliminate duplicates Z: 12 6.085 1.597 0.119 0.530 0.818 0.273 CA 1.218 12 residues pruned to eliminate duplicates Z: 12 24.602 1.984 1.007 0.920 1.000 0.727 CB 1.312 12 residues pruned to eliminate duplicates Z: 23 24.504 2.085 0.524 0.922 0.864 0.455 CB 1.338 23 residues pruned to eliminate duplicates 7 1.959 1.530 0.470 0.310 0.667 0.500 CB 0.659 ? Z: 35 19.477 1.919 0.503 0.630 0.853 0.529 CB 1.202 35 residues pruned to eliminate duplicates 8 1.990 1.524 -0.012 0.211 0.571 0.571 CB 1.229 ? Z: 32 25.187 1.949 0.584 0.664 0.968 0.742 CA 1.301 32 residues pruned to eliminate duplicates Z: 11 13.187 1.852 0.347 0.774 1.000 0.500 CB 1.311 11 residues pruned to eliminate duplicates Z: 10 12.743 1.729 0.396 0.877 1.000 0.778 CB 1.278 10 residues pruned to eliminate duplicates Z: 30 21.978 1.959 0.657 0.565 0.931 0.552 CB 1.268 30 residues pruned to eliminate duplicates Z: 9 12.458 1.925 0.314 0.811 1.000 0.875 CA 1.329 9 residues pruned to eliminate duplicates 6 1.149 1.233 0.243 0.108 0.600 0.400 CA 0.919 ? Z: 8 2.728 1.314 0.250 0.518 0.857 0.714 CA 0.719 Z: 20 12.509 1.736 0.458 0.714 0.842 0.684 CA 1.110 20 residues pruned to eliminate duplicates Z: 8 11.699 2.014 0.532 0.864 0.857 0.429 CB 1.226 8 residues pruned to eliminate duplicates Z: 6 6.781 1.727 0.205 0.869 1.000 0.600 CA 1.065 5 residues pruned to eliminate duplicates Z: 11 12.317 1.778 0.300 0.863 0.900 0.400 CB 1.374 10 residues pruned to eliminate duplicates Z: 10 10.864 1.844 0.232 0.822 1.000 0.556 CB 1.206 10 residues pruned to eliminate duplicates Z: 11 9.557 1.686 0.356 0.470 1.000 0.700 CA 1.363 9 residues pruned to eliminate duplicates Z: 8 2.209 1.455 -0.155 0.456 0.714 0.714 CB 0.995 Z: 8 7.028 1.640 0.141 0.865 1.000 0.571 CB 1.041 8 residues pruned to eliminate duplicates Z: 9 5.288 1.551 0.313 0.435 1.000 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 8 8.020 1.484 0.205 0.846 1.000 0.857 CA 1.260 8 residues pruned to eliminate duplicates Z: 6 4.267 1.505 0.412 0.645 1.000 1.000 CB 0.784 Z: 6 3.463 1.619 0.293 0.360 1.000 0.600 CB 0.860 3 residues pruned to eliminate duplicates Z: 7 3.698 1.609 -0.002 0.487 0.833 0.500 CB 1.143 Z: 7 10.827 1.958 0.319 0.567 1.000 1.000 CB 1.605 7 residues pruned to eliminate duplicates Z: 9 2.258 1.374 0.376 0.183 0.750 0.375 CB 0.825 Z: 9 12.060 1.920 0.439 0.861 0.875 0.625 CB 1.296 9 residues pruned to eliminate duplicates Z: 18 12.623 1.797 0.278 0.582 0.882 0.765 CB 1.396 18 residues pruned to eliminate duplicates Z: 10 6.989 1.621 0.326 0.864 1.000 1.000 CB 0.794 10 residues pruned to eliminate duplicates Z: 14 8.242 1.697 0.188 0.437 1.000 0.769 CB 1.209 14 residues pruned to eliminate duplicates Z: 11 12.177 1.705 0.271 0.900 1.000 0.900 CB 1.270 11 residues pruned to eliminate duplicates Z: 7 6.565 1.583 0.264 0.544 1.000 0.500 CA 1.283 7 residues pruned to eliminate duplicates Z: 6 3.559 1.445 0.391 0.351 1.000 1.000 CB 0.930 Z: 10 8.042 1.662 0.241 0.807 1.000 0.556 CA 0.994 10 residues pruned to eliminate duplicates Z: 7 9.605 1.850 0.697 0.648 1.000 0.667 CA 1.088 6 residues pruned to eliminate duplicates Z: 12 16.463 1.725 0.647 0.867 1.000 0.909 CA 1.278 12 residues pruned to eliminate duplicates Z: 6 2.549 1.577 0.266 0.338 0.800 0.800 N 0.851 Z: 9 10.146 1.698 0.302 0.834 1.000 0.375 CB 1.216 9 residues pruned to eliminate duplicates Z: 8 5.112 1.584 0.186 0.354 1.000 0.571 CB 1.205 8 residues pruned to eliminate duplicates Z: 44 30.144 1.961 0.799 0.684 0.884 0.488 CB 1.245 44 residues pruned to eliminate duplicates Z: 11 13.685 1.651 0.605 0.879 1.000 0.800 CB 1.184 11 residues pruned to eliminate duplicates Z: 23 22.611 2.098 0.364 0.889 1.000 0.727 CA 1.213 23 residues pruned to eliminate duplicates Z: 8 14.311 1.956 0.432 0.839 1.000 0.714 CB 1.442 8 residues pruned to eliminate duplicates Z: 6 2.005 1.345 0.280 0.435 0.600 0.400 CB 0.928 Z: 13 23.823 2.077 0.793 0.909 1.000 0.750 CB 1.312 13 residues pruned to eliminate duplicates Z: 21 28.166 2.150 0.496 0.894 0.950 0.350 CA 1.478 21 residues pruned to eliminate duplicates 6 1.083 1.318 0.083 0.383 0.600 0.400 CB 0.641 ? Using tripeptides from previous cycle as seeds Z: 13 9.302 1.767 0.516 0.385 0.917 0.667 CB 1.235 13 residues pruned to eliminate duplicates Z: 17 6.890 1.661 0.396 0.353 0.875 0.375 CB 0.996 17 residues pruned to eliminate duplicates Z: 13 10.422 1.792 0.543 0.403 1.000 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 17 7.995 1.672 0.526 0.371 0.812 0.625 CB 1.107 17 residues pruned to eliminate duplicates Z: 13 9.598 1.776 0.425 0.386 1.000 0.583 CB 1.235 13 residues pruned to eliminate duplicates Z: 13 8.474 1.762 0.377 0.399 0.917 0.667 CB 1.223 13 residues pruned to eliminate duplicates Z: 15 7.231 1.723 0.492 0.347 0.786 0.500 CB 1.130 15 residues pruned to eliminate duplicates Z: 14 8.153 1.705 0.483 0.342 0.923 0.385 CB 1.150 14 residues pruned to eliminate duplicates Z: 11 12.098 1.873 0.763 0.477 1.000 0.800 CB 1.186 11 residues pruned to eliminate duplicates Z: 6 7.483 1.840 0.452 0.425 1.000 0.600 CA 1.354 6 residues pruned to eliminate duplicates Z: 19 15.167 1.871 0.544 0.556 0.944 0.444 CB 1.241 19 residues pruned to eliminate duplicates Z: 13 12.268 1.878 0.498 0.612 0.917 0.500 CA 1.234 13 residues pruned to eliminate duplicates Z: 19 16.870 1.878 0.663 0.608 0.944 0.500 CB 1.216 19 residues pruned to eliminate duplicates Z: 11 18.960 1.981 0.662 0.798 1.000 0.500 CA 1.404 11 residues pruned to eliminate duplicates Z: 19 17.797 1.815 0.744 0.576 0.944 0.444 CA 1.304 18 residues pruned to eliminate duplicates Z: 12 17.045 1.909 0.835 0.760 0.909 0.545 CA 1.280 12 residues pruned to eliminate duplicates Z: 19 17.769 1.833 0.636 0.582 1.000 0.500 CB 1.291 19 residues pruned to eliminate duplicates Z: 10 10.247 1.673 0.318 0.813 1.000 0.778 CB 1.179 10 residues pruned to eliminate duplicates Z: 19 14.822 1.833 0.715 0.579 0.889 0.500 CB 1.158 19 residues pruned to eliminate duplicates Z: 18 19.476 1.936 0.710 0.631 1.000 0.529 CB 1.262 18 residues pruned to eliminate duplicates Z: 19 18.134 1.904 0.611 0.640 0.944 0.556 CB 1.294 19 residues pruned to eliminate duplicates Z: 10 14.409 1.719 0.609 0.807 1.000 0.778 CA 1.329 10 residues pruned to eliminate duplicates Z: 9 17.712 1.851 0.875 0.840 1.000 0.750 CA 1.346 9 residues pruned to eliminate duplicates 6 1.959 1.559 0.087 0.100 0.800 0.400 CB 1.077 ? Z: 6 2.176 1.652 0.088 0.120 0.800 0.400 CB 1.092 Z: 6 3.250 1.560 0.377 0.486 1.000 0.800 CB 0.686 4 residues pruned to eliminate duplicates Z: 12 12.466 1.789 0.214 0.762 1.000 0.727 CB 1.372 11 residues pruned to eliminate duplicates Z: 11 13.396 1.804 0.253 0.846 1.000 0.800 CA 1.394 11 residues pruned to eliminate duplicates Z: 14 12.477 1.810 0.188 0.714 0.923 0.615 CB 1.436 13 residues pruned to eliminate duplicates Z: 11 10.642 1.764 0.051 0.826 1.000 0.800 CB 1.369 11 residues pruned to eliminate duplicates Z: 17 10.924 1.703 0.170 0.511 1.000 0.500 CB 1.355 13 residues pruned to eliminate duplicates Z: 11 12.000 1.827 0.291 0.858 0.900 0.800 CA 1.317 12 residues pruned to eliminate duplicates Z: 11 14.248 1.854 0.356 0.827 1.000 0.600 CA 1.351 11 residues pruned to eliminate duplicates Z: 10 14.367 1.877 0.338 0.780 1.000 0.556 CA 1.490 10 residues pruned to eliminate duplicates Z: 10 15.539 1.840 0.346 0.873 1.000 0.667 CB 1.523 10 residues pruned to eliminate duplicates Z: 10 14.606 1.824 0.364 0.848 1.000 0.778 CA 1.453 10 residues pruned to eliminate duplicates Z: 12 13.456 1.719 0.262 0.799 1.000 0.545 CB 1.440 11 residues pruned to eliminate duplicates Z: 12 13.946 1.750 0.335 0.858 1.000 0.818 CB 1.326 12 residues pruned to eliminate duplicates Z: 18 17.674 1.960 0.367 0.750 1.000 0.647 CB 1.279 18 residues pruned to eliminate duplicates Z: 16 23.969 2.122 0.673 0.822 0.933 0.600 CB 1.412 15 residues pruned to eliminate duplicates Z: 20 16.629 1.766 0.214 0.841 1.000 0.632 CB 1.326 20 residues pruned to eliminate duplicates Z: 16 20.998 2.117 0.435 0.820 0.933 0.600 CB 1.449 16 residues pruned to eliminate duplicates Z: 17 18.547 2.077 0.401 0.752 0.938 0.500 CB 1.358 17 residues pruned to eliminate duplicates Z: 18 20.101 1.952 0.374 0.848 1.000 0.706 CB 1.348 18 residues pruned to eliminate duplicates Z: 19 21.848 2.016 0.665 0.788 0.944 0.778 CB 1.261 19 residues pruned to eliminate duplicates Z: 16 23.011 2.130 0.636 0.819 0.933 0.733 CB 1.385 16 residues pruned to eliminate duplicates Z: 18 18.966 1.907 0.593 0.779 0.941 0.706 CB 1.258 18 residues pruned to eliminate duplicates Z: 20 20.829 1.991 0.563 0.745 1.000 0.684 CB 1.233 20 residues pruned to eliminate duplicates Z: 21 19.303 1.926 0.479 0.746 0.950 0.700 CB 1.280 21 residues pruned to eliminate duplicates Z: 20 23.558 1.991 0.727 0.751 1.000 0.789 CB 1.257 20 residues pruned to eliminate duplicates Z: 25 17.064 1.907 0.462 0.628 0.958 0.625 CB 1.156 25 residues pruned to eliminate duplicates Z: 18 24.636 2.053 0.625 0.848 1.000 0.647 CB 1.329 18 residues pruned to eliminate duplicates Z: 21 18.985 1.943 0.535 0.683 0.950 0.550 CB 1.267 21 residues pruned to eliminate duplicates Z: 21 20.132 1.847 0.579 0.703 1.000 0.500 CB 1.283 21 residues pruned to eliminate duplicates Z: 48 31.649 1.903 0.652 0.712 0.936 0.553 CB 1.293 46 residues pruned to eliminate duplicates Z: 18 19.672 1.995 0.515 0.769 1.000 0.882 CB 1.244 18 residues pruned to eliminate duplicates Z: 46 36.466 1.966 0.707 0.755 0.978 0.511 CB 1.320 47 residues pruned to eliminate duplicates Z: 14 21.906 1.956 0.888 0.797 1.000 0.615 CB 1.268 14 residues pruned to eliminate duplicates Z: 27 28.749 1.938 0.806 0.740 0.962 0.538 CB 1.351 27 residues pruned to eliminate duplicates Z: 26 26.580 1.962 0.736 0.766 0.920 0.560 CB 1.340 26 residues pruned to eliminate duplicates Z: 26 22.449 1.917 0.562 0.741 0.960 0.560 CB 1.259 26 residues pruned to eliminate duplicates Z: 26 25.762 1.961 0.698 0.757 0.920 0.600 CB 1.339 26 residues pruned to eliminate duplicates Z: 23 27.072 2.013 0.677 0.752 0.955 0.636 CB 1.431 23 residues pruned to eliminate duplicates Z: 26 28.199 1.932 0.768 0.766 0.960 0.600 CB 1.358 26 residues pruned to eliminate duplicates Z: 26 28.219 1.945 0.693 0.776 1.000 0.680 CB 1.343 26 residues pruned to eliminate duplicates Z: 27 23.098 1.905 0.566 0.726 0.962 0.462 CB 1.289 27 residues pruned to eliminate duplicates Z: 21 20.001 1.933 0.474 0.674 1.000 0.750 CB 1.337 21 residues pruned to eliminate duplicates Z: 14 23.767 2.013 0.678 0.830 1.000 0.615 CA 1.468 14 residues pruned to eliminate duplicates Z: 15 19.704 1.943 0.469 0.843 1.000 0.643 CB 1.375 15 residues pruned to eliminate duplicates Z: 23 20.856 1.894 0.507 0.726 0.955 0.727 CA 1.332 23 residues pruned to eliminate duplicates Z: 26 23.952 1.905 0.627 0.753 0.880 0.560 CB 1.402 26 residues pruned to eliminate duplicates Z: 26 27.085 1.910 0.587 0.766 1.000 0.520 CA 1.413 26 residues pruned to eliminate duplicates Z: 25 26.258 1.965 0.654 0.765 0.958 0.792 CB 1.360 25 residues pruned to eliminate duplicates Z: 28 28.491 1.906 0.714 0.785 0.963 0.778 CB 1.357 28 residues pruned to eliminate duplicates Z: 26 24.283 1.955 0.577 0.754 0.920 0.600 CB 1.366 26 residues pruned to eliminate duplicates Z: 25 23.089 1.959 0.416 0.736 1.000 0.625 CB 1.375 25 residues pruned to eliminate duplicates Z: 13 18.419 1.774 0.890 0.748 0.917 0.583 CA 1.387 13 residues pruned to eliminate duplicates Z: 27 25.529 1.934 0.595 0.752 0.962 0.500 CB 1.349 27 residues pruned to eliminate duplicates Z: 27 25.706 1.914 0.862 0.730 0.923 0.538 CB 1.246 27 residues pruned to eliminate duplicates Z: 27 24.912 1.895 0.830 0.733 0.923 0.538 CB 1.238 27 residues pruned to eliminate duplicates Z: 25 29.853 1.963 0.701 0.806 0.958 0.500 CB 1.457 25 residues pruned to eliminate duplicates Z: 11 16.113 1.761 0.817 0.900 0.900 0.700 CB 1.264 11 residues pruned to eliminate duplicates Z: 33 12.607 1.745 0.339 0.449 0.969 0.625 CB 1.038 26 residues pruned to eliminate duplicates Z: 15 10.728 1.818 0.389 0.672 0.929 0.429 CB 1.043 15 residues pruned to eliminate duplicates Z: 31 14.035 1.771 0.391 0.456 0.967 0.667 CB 1.125 32 residues pruned to eliminate duplicates Z: 12 13.236 1.876 0.400 0.804 1.000 0.455 CA 1.165 12 residues pruned to eliminate duplicates Z: 18 10.600 1.767 0.312 0.457 0.941 0.471 CA 1.231 18 residues pruned to eliminate duplicates Z: 39 14.255 1.721 0.388 0.480 0.895 0.605 CB 1.103 46 residues pruned to eliminate duplicates Z: 12 9.060 1.841 0.242 0.778 0.909 0.727 CA 1.028 12 residues pruned to eliminate duplicates Z: 28 13.348 1.732 0.346 0.513 0.963 0.630 CB 1.129 27 residues pruned to eliminate duplicates Z: 12 12.636 1.829 0.450 0.764 0.909 0.455 CB 1.251 12 residues pruned to eliminate duplicates Z: 23 13.377 1.809 0.227 0.528 1.000 0.636 CB 1.250 23 residues pruned to eliminate duplicates Z: 30 14.270 1.773 0.382 0.475 0.966 0.483 CB 1.149 30 residues pruned to eliminate duplicates Z: 10 13.134 1.929 0.358 0.791 1.000 0.667 CA 1.294 10 residues pruned to eliminate duplicates Z: 29 14.237 1.752 0.486 0.468 0.929 0.464 CB 1.149 29 residues pruned to eliminate duplicates Z: 30 14.245 1.743 0.344 0.466 1.000 0.552 CB 1.170 30 residues pruned to eliminate duplicates Z: 31 12.894 1.747 0.380 0.471 1.000 0.533 CB 1.005 31 residues pruned to eliminate duplicates Z: 21 13.133 1.784 0.351 0.482 1.000 0.650 CB 1.242 21 residues pruned to eliminate duplicates Z: 33 13.875 1.719 0.331 0.456 0.969 0.594 CA 1.158 33 residues pruned to eliminate duplicates Z: 26 13.438 1.790 0.377 0.458 0.920 0.520 CA 1.238 26 residues pruned to eliminate duplicates Z: 22 12.580 1.746 0.452 0.491 0.952 0.667 CA 1.147 22 residues pruned to eliminate duplicates Z: 25 13.434 1.785 0.404 0.501 0.958 0.667 CB 1.141 25 residues pruned to eliminate duplicates Z: 9 6.148 1.571 0.337 0.368 1.000 0.625 CA 1.192 9 residues pruned to eliminate duplicates Z: 8 6.435 1.908 0.431 0.353 1.000 0.714 CB 1.044 8 residues pruned to eliminate duplicates Z: 17 27.771 1.942 0.963 0.845 0.938 0.812 CB 1.444 16 residues pruned to eliminate duplicates Z: 16 29.947 1.988 0.926 0.912 1.000 0.933 CB 1.431 16 residues pruned to eliminate duplicates Z: 26 19.389 1.919 0.637 0.678 0.920 0.760 CB 1.139 26 residues pruned to eliminate duplicates Z: 33 23.360 1.931 0.577 0.717 0.969 0.750 CB 1.150 33 residues pruned to eliminate duplicates Z: 16 22.479 2.019 0.651 0.800 0.933 0.667 CA 1.435 16 residues pruned to eliminate duplicates Z: 17 18.736 1.969 0.803 0.755 0.938 0.812 CB 1.121 17 residues pruned to eliminate duplicates Z: 35 22.454 1.944 0.595 0.619 0.912 0.676 CB 1.217 35 residues pruned to eliminate duplicates Z: 25 19.596 1.950 0.541 0.664 0.917 0.542 CB 1.247 25 residues pruned to eliminate duplicates Z: 16 26.253 2.121 0.967 0.792 0.933 0.400 CB 1.347 16 residues pruned to eliminate duplicates Z: 16 26.848 2.133 1.018 0.805 0.933 0.667 CB 1.322 16 residues pruned to eliminate duplicates Z: 34 23.650 1.898 0.646 0.713 0.970 0.667 CB 1.120 34 residues pruned to eliminate duplicates Z: 18 21.978 1.965 1.079 0.695 0.941 0.294 CB 1.160 18 residues pruned to eliminate duplicates Z: 18 15.336 2.022 0.790 0.661 0.706 0.353 CB 1.254 18 residues pruned to eliminate duplicates Z: 15 19.639 2.046 0.948 0.758 0.857 0.357 CB 1.221 15 residues pruned to eliminate duplicates Z: 35 20.849 1.937 0.559 0.592 0.882 0.412 CB 1.230 35 residues pruned to eliminate duplicates Z: 21 10.967 1.765 0.419 0.442 0.950 0.650 CB 1.094 21 residues pruned to eliminate duplicates Z: 35 18.958 1.896 0.505 0.602 0.941 0.588 CB 1.098 35 residues pruned to eliminate duplicates Z: 19 10.902 1.733 0.431 0.542 0.944 0.667 CB 1.054 19 residues pruned to eliminate duplicates Z: 19 13.692 1.795 0.545 0.506 1.000 0.667 CB 1.157 19 residues pruned to eliminate duplicates Z: 22 11.128 1.786 0.382 0.432 0.952 0.571 CB 1.108 22 residues pruned to eliminate duplicates Z: 26 19.568 1.880 0.714 0.629 0.880 0.600 CB 1.222 26 residues pruned to eliminate duplicates Z: 17 12.176 1.814 0.454 0.499 1.000 0.562 CB 1.155 17 residues pruned to eliminate duplicates Z: 17 11.332 1.846 0.270 0.544 1.000 0.750 CB 1.158 17 residues pruned to eliminate duplicates Z: 19 12.101 1.828 0.433 0.426 1.000 0.667 CB 1.176 19 residues pruned to eliminate duplicates Z: 36 23.019 1.854 0.593 0.679 0.971 0.629 CB 1.150 36 residues pruned to eliminate duplicates Z: 27 14.849 1.774 0.407 0.553 0.962 0.654 CB 1.152 27 residues pruned to eliminate duplicates Z: 10 8.347 1.713 0.325 0.791 1.000 0.556 CB 0.949 10 residues pruned to eliminate duplicates Z: 16 12.177 1.863 0.565 0.593 0.933 0.733 CB 1.056 16 residues pruned to eliminate duplicates Z: 36 23.666 1.911 0.680 0.682 0.943 0.571 CB 1.118 36 residues pruned to eliminate duplicates Z: 44 20.635 1.844 0.489 0.574 0.907 0.465 CB 1.176 44 residues pruned to eliminate duplicates Z: 34 24.070 1.924 0.615 0.716 0.970 0.667 CB 1.144 34 residues pruned to eliminate duplicates Z: 24 12.225 1.635 0.481 0.542 0.957 0.783 CB 1.056 24 residues pruned to eliminate duplicates Z: 29 12.748 1.697 0.455 0.493 0.964 0.571 CB 1.019 29 residues pruned to eliminate duplicates Z: 37 20.279 1.748 0.649 0.624 0.917 0.583 CB 1.138 37 residues pruned to eliminate duplicates Z: 43 20.662 1.871 0.582 0.590 0.857 0.500 CB 1.153 43 residues pruned to eliminate duplicates Z: 9 3.616 1.525 0.223 0.191 0.875 0.000 CA 1.134 9 residues pruned to eliminate duplicates Z: 8 4.585 1.594 0.361 0.275 0.857 0.429 CA 1.202 8 residues pruned to eliminate duplicates Z: 8 4.985 1.580 0.380 0.272 0.857 0.143 CB 1.306 8 residues pruned to eliminate duplicates Z: 7 5.919 1.737 0.250 0.349 1.000 0.667 CB 1.311 7 residues pruned to eliminate duplicates Z: 6 2.659 1.653 0.250 0.228 0.800 0.400 CB 0.988 6 residues pruned to eliminate duplicates Z: 14 22.516 1.969 0.787 0.884 0.923 0.923 CB 1.389 14 residues pruned to eliminate duplicates Z: 25 22.723 1.894 0.710 0.607 0.917 0.792 CB 1.411 23 residues pruned to eliminate duplicates Z: 13 29.694 2.062 0.893 0.931 1.000 0.917 CB 1.535 13 residues pruned to eliminate duplicates Z: 13 20.443 1.954 0.759 0.914 1.000 0.750 CB 1.214 13 residues pruned to eliminate duplicates Z: 17 18.763 1.864 0.600 0.746 0.938 0.750 CB 1.347 17 residues pruned to eliminate duplicates Z: 13 24.380 2.071 0.564 0.922 1.000 1.000 CB 1.528 13 residues pruned to eliminate duplicates Z: 14 22.553 1.973 0.777 0.913 0.923 0.923 CB 1.367 14 residues pruned to eliminate duplicates Z: 12 24.961 2.028 0.710 0.913 1.000 0.909 CA 1.535 12 residues pruned to eliminate duplicates Z: 35 21.868 1.823 0.462 0.616 0.912 0.706 CB 1.383 35 residues pruned to eliminate duplicates Z: 14 22.323 1.962 0.790 0.847 0.923 0.769 CB 1.417 14 residues pruned to eliminate duplicates Z: 14 23.256 1.952 0.875 0.865 0.923 0.846 CB 1.399 14 residues pruned to eliminate duplicates Z: 42 25.835 1.805 0.568 0.618 0.927 0.756 CB 1.376 42 residues pruned to eliminate duplicates Z: 15 21.499 1.841 0.919 0.763 0.929 0.357 CB 1.386 15 residues pruned to eliminate duplicates Z: 40 25.895 1.852 0.490 0.605 0.949 0.462 CB 1.434 41 residues pruned to eliminate duplicates Z: 6 2.555 1.306 0.480 0.354 0.800 0.600 CB 0.866 6 residues pruned to eliminate duplicates Z: 20 14.874 1.682 0.469 0.589 1.000 0.789 CA 1.268 20 residues pruned to eliminate duplicates Z: 23 14.914 1.771 0.290 0.536 0.955 0.682 CA 1.407 23 residues pruned to eliminate duplicates Z: 22 14.190 1.636 0.463 0.560 0.952 0.714 CA 1.281 22 residues pruned to eliminate duplicates Z: 29 14.790 1.693 0.335 0.505 0.929 0.714 CA 1.325 29 residues pruned to eliminate duplicates Z: 34 20.012 1.768 0.601 0.568 0.879 0.636 CB 1.311 34 residues pruned to eliminate duplicates Z: 37 20.060 1.799 0.372 0.566 0.917 0.806 CB 1.387 37 residues pruned to eliminate duplicates Z: 41 21.954 1.806 0.574 0.568 0.900 0.750 CB 1.271 41 residues pruned to eliminate duplicates Z: 27 14.387 1.692 0.394 0.522 0.923 0.692 CA 1.268 27 residues pruned to eliminate duplicates Z: 28 18.052 1.729 0.465 0.528 0.963 0.630 CA 1.385 28 residues pruned to eliminate duplicates Z: 27 16.060 1.747 0.398 0.529 0.962 0.654 CA 1.304 27 residues pruned to eliminate duplicates Z: 37 22.771 1.802 0.468 0.576 0.972 0.722 CB 1.372 37 residues pruned to eliminate duplicates Z: 36 16.326 1.700 0.357 0.513 0.943 0.657 CB 1.252 36 residues pruned to eliminate duplicates Z: 26 18.732 1.812 0.368 0.591 1.000 0.640 CA 1.385 26 residues pruned to eliminate duplicates Z: 12 9.343 1.625 0.355 0.582 1.000 0.364 CB 1.183 12 residues pruned to eliminate duplicates Z: 7 7.111 1.775 0.411 0.369 1.000 0.500 CA 1.334 7 residues pruned to eliminate duplicates Z: 8 7.035 1.779 0.459 0.315 1.000 0.714 N 1.256 8 residues pruned to eliminate duplicates Z: 7 7.230 1.843 0.430 0.383 1.000 0.667 N 1.269 7 residues pruned to eliminate duplicates Z: 7 9.621 1.719 0.886 0.662 0.833 0.833 CB 1.251 7 residues pruned to eliminate duplicates Z: 12 7.267 1.586 0.830 0.254 0.818 0.273 CB 1.223 12 residues pruned to eliminate duplicates Z: 37 25.163 2.017 0.578 0.567 0.833 0.472 CB 1.482 37 residues pruned to eliminate duplicates Z: 26 22.107 2.037 0.610 0.540 0.920 0.480 CA 1.410 26 residues pruned to eliminate duplicates Z: 24 12.383 1.919 0.532 0.380 0.739 0.391 CA 1.351 7 residues pruned to eliminate duplicates Z: 10 12.822 2.103 0.630 0.696 0.778 0.444 CA 1.340 10 residues pruned to eliminate duplicates Z: 19 18.200 2.142 0.553 0.529 0.833 0.333 CA 1.504 24 residues pruned to eliminate duplicates Z: 9 16.328 1.985 0.819 0.741 1.000 0.125 CA 1.289 Z: 31 23.544 2.072 0.589 0.541 0.833 0.400 CB 1.505 40 residues pruned to eliminate duplicates Z: 19 22.058 2.222 0.642 0.551 0.833 0.389 CA 1.627 19 residues pruned to eliminate duplicates Z: 28 28.952 2.183 0.612 0.566 0.926 0.481 CB 1.603 28 residues pruned to eliminate duplicates Z: 64 40.904 2.113 0.523 0.640 0.921 0.524 CA 1.527 64 residues pruned to eliminate duplicates Z: 64 41.054 2.073 0.549 0.659 0.937 0.508 CA 1.484 64 residues pruned to eliminate duplicates Z: 20 18.088 2.117 0.548 0.488 0.842 0.421 CA 1.522 20 residues pruned to eliminate duplicates Z: 49 28.337 1.968 0.622 0.507 0.875 0.500 CB 1.455 42 residues pruned to eliminate duplicates Z: 13 12.050 1.864 0.456 0.639 0.833 0.750 CB 1.350 13 residues pruned to eliminate duplicates Z: 12 10.313 1.935 0.296 0.636 0.818 0.545 CB 1.334 12 residues pruned to eliminate duplicates Z: 13 6.831 1.882 0.002 0.645 0.833 0.500 CB 1.097 13 residues pruned to eliminate duplicates Z: 20 17.092 1.990 0.431 0.563 0.895 0.526 CB 1.448 20 residues pruned to eliminate duplicates Z: 14 7.005 1.845 0.087 0.621 0.769 0.615 CB 1.124 14 residues pruned to eliminate duplicates Z: 14 9.452 1.803 0.396 0.547 0.769 0.538 CB 1.292 14 residues pruned to eliminate duplicates Z: 13 10.727 1.869 0.366 0.587 0.917 0.667 CB 1.217 13 residues pruned to eliminate duplicates Z: 39 24.474 2.012 0.461 0.555 0.895 0.447 CB 1.430 39 residues pruned to eliminate duplicates Z: 46 32.167 2.034 0.450 0.663 0.956 0.578 CB 1.462 46 residues pruned to eliminate duplicates Z: 45 35.913 2.076 0.494 0.713 0.977 0.568 CB 1.473 45 residues pruned to eliminate duplicates Z: 22 14.187 1.879 0.403 0.444 0.952 0.476 CB 1.306 22 residues pruned to eliminate duplicates Z: 23 13.283 1.892 0.318 0.507 0.864 0.545 CB 1.305 23 residues pruned to eliminate duplicates Z: 36 31.285 2.030 0.661 0.700 0.943 0.543 CA 1.386 36 residues pruned to eliminate duplicates Z: 23 14.118 1.828 0.507 0.529 0.909 0.636 CB 1.168 23 residues pruned to eliminate duplicates Z: 39 28.942 2.050 0.495 0.654 0.947 0.579 CA 1.400 39 residues pruned to eliminate duplicates Z: 12 11.178 1.891 0.437 0.464 0.909 0.545 CA 1.416 12 residues pruned to eliminate duplicates Z: 23 14.128 1.889 0.287 0.523 0.909 0.636 CA 1.332 23 residues pruned to eliminate duplicates Z: 23 17.129 1.908 0.387 0.574 0.864 0.727 CB 1.488 23 residues pruned to eliminate duplicates Z: 45 32.945 2.051 0.458 0.692 0.955 0.568 CA 1.459 45 residues pruned to eliminate duplicates Z: 35 35.264 2.053 0.686 0.746 0.971 0.824 CB 1.445 40 residues pruned to eliminate duplicates Z: 25 27.960 2.116 0.389 0.814 1.000 0.625 CA 1.478 25 residues pruned to eliminate duplicates Z: 31 31.359 2.032 0.556 0.736 0.967 0.700 CA 1.516 31 residues pruned to eliminate duplicates Z: 65 39.163 2.041 0.552 0.607 0.953 0.516 CA 1.464 65 residues pruned to eliminate duplicates Z: 46 34.107 2.025 0.530 0.695 0.933 0.578 CA 1.471 46 residues pruned to eliminate duplicates Z: 37 31.633 2.030 0.652 0.663 0.972 0.611 CA 1.390 37 residues pruned to eliminate duplicates Z: 49 30.602 1.964 0.478 0.644 0.938 0.646 CA 1.418 49 residues pruned to eliminate duplicates Z: 65 43.505 2.089 0.624 0.634 0.922 0.531 CA 1.534 65 residues pruned to eliminate duplicates Z: 29 32.209 2.068 0.484 0.803 1.000 0.536 CA 1.523 29 residues pruned to eliminate duplicates Z: 30 31.917 2.097 0.512 0.751 0.966 0.655 CA 1.547 30 residues pruned to eliminate duplicates Z: 38 29.375 2.004 0.607 0.662 0.946 0.514 CA 1.364 38 residues pruned to eliminate duplicates Z: 44 34.924 2.054 0.489 0.735 0.953 0.605 CB 1.479 44 residues pruned to eliminate duplicates Z: 30 25.299 2.038 0.475 0.745 0.897 0.621 CA 1.401 30 residues pruned to eliminate duplicates Z: 44 32.733 2.058 0.454 0.695 0.977 0.581 CA 1.429 44 residues pruned to eliminate duplicates Z: 45 33.010 2.057 0.488 0.687 0.977 0.727 CA 1.402 45 residues pruned to eliminate duplicates Z: 36 31.137 2.073 0.600 0.630 0.943 0.600 CA 1.489 36 residues pruned to eliminate duplicates Z: 38 27.430 2.015 0.536 0.635 0.946 0.432 CA 1.357 38 residues pruned to eliminate duplicates Z: 43 35.064 2.044 0.442 0.751 1.000 0.667 CA 1.468 43 residues pruned to eliminate duplicates Z: 31 32.177 2.076 0.589 0.761 0.967 0.667 CA 1.461 31 residues pruned to eliminate duplicates Z: 45 32.865 2.059 0.455 0.690 0.977 0.659 CA 1.422 45 residues pruned to eliminate duplicates Z: 34 29.960 2.085 0.594 0.672 0.970 0.455 CA 1.381 34 residues pruned to eliminate duplicates Z: 36 28.652 2.068 0.561 0.661 0.943 0.543 CA 1.370 36 residues pruned to eliminate duplicates Z: 65 38.284 2.053 0.509 0.675 0.938 0.484 CB 1.403 66 residues pruned to eliminate duplicates Z: 23 26.959 1.996 0.546 0.865 1.000 0.818 CA 1.364 23 residues pruned to eliminate duplicates Z: 64 41.297 2.065 0.521 0.701 0.952 0.698 CB 1.449 64 residues pruned to eliminate duplicates Z: 30 35.044 2.115 0.683 0.772 0.966 0.897 CA 1.488 31 residues pruned to eliminate duplicates Z: 21 31.703 2.061 0.947 0.861 0.950 0.700 CB 1.367 20 residues pruned to eliminate duplicates Z: 20 34.381 2.170 0.713 0.911 1.000 0.632 CB 1.503 20 residues pruned to eliminate duplicates Z: 25 24.838 1.989 0.672 0.709 0.917 0.625 CB 1.376 25 residues pruned to eliminate duplicates Z: 23 29.711 2.090 0.937 0.803 0.818 0.409 CB 1.468 23 residues pruned to eliminate duplicates Z: 22 27.387 2.116 0.796 0.799 0.857 0.429 CB 1.413 22 residues pruned to eliminate duplicates Z: 22 30.126 2.087 0.919 0.802 0.905 0.476 CB 1.393 22 residues pruned to eliminate duplicates Z: 23 29.009 2.057 0.937 0.760 0.864 0.318 CB 1.427 23 residues pruned to eliminate duplicates Z: 19 32.064 2.167 0.891 0.883 0.889 0.333 CB 1.501 19 residues pruned to eliminate duplicates Z: 18 29.448 2.158 0.993 0.885 0.824 0.294 CB 1.456 18 residues pruned to eliminate duplicates Z: 19 31.437 2.151 1.056 0.893 0.778 0.278 CB 1.546 19 residues pruned to eliminate duplicates Z: 23 27.552 2.061 0.929 0.764 0.864 0.136 CB 1.353 23 residues pruned to eliminate duplicates Z: 25 29.713 2.009 0.887 0.747 0.958 0.333 CB 1.338 25 residues pruned to eliminate duplicates Z: 16 29.489 2.123 1.014 0.855 0.867 0.267 CB 1.517 16 residues pruned to eliminate duplicates Z: 22 30.501 2.079 0.945 0.811 0.857 0.143 CB 1.465 22 residues pruned to eliminate duplicates Z: 16 30.932 2.070 1.104 0.810 0.933 0.267 CB 1.500 16 residues pruned to eliminate duplicates Z: 22 38.331 2.046 1.005 0.916 1.000 0.286 CB 1.440 22 residues pruned to eliminate duplicates Z: 23 32.614 2.036 1.002 0.855 0.909 0.409 CB 1.385 23 residues pruned to eliminate duplicates Z: 23 36.982 2.035 1.156 0.931 1.000 0.455 CB 1.256 21 residues pruned to eliminate duplicates Z: 9 12.325 1.761 0.750 0.828 1.000 0.500 CB 1.065 9 residues pruned to eliminate duplicates Z: 26 29.261 2.019 0.818 0.826 0.880 0.520 CB 1.366 26 residues pruned to eliminate duplicates Z: 13 7.608 1.698 0.483 0.484 0.917 0.500 CB 0.967 11 residues pruned to eliminate duplicates Z: 26 32.807 2.011 0.908 0.831 0.960 0.560 CB 1.338 26 residues pruned to eliminate duplicates Z: 37 23.104 2.034 0.437 0.626 0.944 0.778 CA 1.239 33 residues pruned to eliminate duplicates Z: 7 6.992 1.741 0.560 0.643 0.833 0.500 CA 1.103 7 residues pruned to eliminate duplicates Z: 38 27.988 1.997 0.791 0.660 0.892 0.703 CB 1.243 37 residues pruned to eliminate duplicates Z: 8 5.959 1.542 0.200 0.801 1.000 0.571 CB 0.935 8 residues pruned to eliminate duplicates Z: 10 6.409 1.729 0.644 0.561 0.778 0.667 CA 0.911 10 residues pruned to eliminate duplicates Z: 34 25.667 1.974 0.592 0.685 0.939 0.576 CA 1.278 34 residues pruned to eliminate duplicates Z: 34 31.754 2.041 0.675 0.734 0.970 0.636 CB 1.351 35 residues pruned to eliminate duplicates Z: 18 17.572 1.951 0.419 0.843 1.000 0.588 CB 1.147 18 residues pruned to eliminate duplicates Z: 28 31.356 2.120 0.760 0.706 0.963 0.741 CB 1.393 28 residues pruned to eliminate duplicates Z: 14 11.617 1.998 0.533 0.790 0.846 0.615 CB 0.964 14 residues pruned to eliminate duplicates Z: 25 30.669 2.244 0.585 0.729 1.000 0.792 CA 1.432 25 residues pruned to eliminate duplicates Z: 40 23.829 1.978 0.631 0.555 0.872 0.641 CA 1.285 40 residues pruned to eliminate duplicates Z: 98 46.612 2.007 0.671 0.641 0.907 0.505 CB 1.363 98 residues pruned to eliminate duplicates Z: 28 28.611 2.094 0.778 0.652 0.963 0.741 CA 1.332 28 residues pruned to eliminate duplicates Z: 28 30.696 2.178 0.742 0.714 0.963 0.704 CA 1.332 28 residues pruned to eliminate duplicates Z: 12 18.802 1.956 0.666 0.746 1.000 0.545 CB 1.397 12 residues pruned to eliminate duplicates Z: 25 32.608 2.236 0.652 0.737 1.000 0.750 CA 1.457 25 residues pruned to eliminate duplicates Z: 13 23.840 2.205 0.739 0.716 1.000 0.667 CB 1.476 13 residues pruned to eliminate duplicates Z: 34 28.972 2.094 0.581 0.660 0.970 0.727 CA 1.355 34 residues pruned to eliminate duplicates Z: 27 29.176 2.126 0.686 0.688 0.962 0.846 CA 1.397 27 residues pruned to eliminate duplicates Z: 28 26.305 2.149 0.592 0.694 0.926 0.778 CA 1.339 28 residues pruned to eliminate duplicates Z: 41 20.347 1.913 0.488 0.603 0.900 0.725 CA 1.139 41 residues pruned to eliminate duplicates Z: 28 35.137 2.127 0.854 0.705 1.000 0.815 CB 1.423 28 residues pruned to eliminate duplicates Z: 26 32.401 2.160 0.807 0.720 0.960 0.760 CA 1.417 26 residues pruned to eliminate duplicates Z: 17 27.280 2.199 0.923 0.688 1.000 0.750 CA 1.357 17 residues pruned to eliminate duplicates Z: 14 23.776 2.079 0.747 0.884 1.000 0.692 CA 1.311 14 residues pruned to eliminate duplicates Z: 33 23.976 2.031 0.637 0.614 0.906 0.594 CA 1.262 33 residues pruned to eliminate duplicates Z: 26 31.032 2.210 0.676 0.724 0.960 0.720 CB 1.426 26 residues pruned to eliminate duplicates Z: 18 19.201 2.069 0.864 0.630 0.882 0.647 CA 1.211 18 residues pruned to eliminate duplicates Z: 12 15.284 2.041 0.850 0.753 0.818 0.455 CB 1.190 12 residues pruned to eliminate duplicates Z: 28 21.765 2.064 0.677 0.634 0.852 0.407 CB 1.253 28 residues pruned to eliminate duplicates Z: 26 30.683 2.131 0.779 0.713 0.960 0.720 CB 1.390 26 residues pruned to eliminate duplicates Z: 25 24.527 2.045 0.636 0.547 0.917 0.500 CA 1.558 26 residues pruned to eliminate duplicates Z: 11 12.927 1.975 0.435 0.698 1.000 0.200 CB 1.203 11 residues pruned to eliminate duplicates Z: 24 22.489 2.083 0.483 0.531 0.957 0.261 CB 1.539 24 residues pruned to eliminate duplicates Z: 19 20.013 2.025 0.662 0.563 0.889 0.389 CA 1.483 19 residues pruned to eliminate duplicates Z: 18 14.763 2.010 0.463 0.540 0.824 0.294 CA 1.422 18 residues pruned to eliminate duplicates Z: 25 20.228 2.040 0.596 0.498 0.917 0.458 CB 1.386 24 residues pruned to eliminate duplicates Z: 9 12.294 1.921 0.598 0.784 0.875 0.375 CB 1.260 9 residues pruned to eliminate duplicates Z: 23 19.594 2.080 0.712 0.443 0.909 0.364 CB 1.368 24 residues pruned to eliminate duplicates Z: 9 9.947 2.109 0.597 0.637 0.875 0.625 CA 1.050 9 residues pruned to eliminate duplicates Z: 24 18.944 1.991 0.618 0.458 0.913 0.435 CA 1.401 24 residues pruned to eliminate duplicates Z: 24 24.962 2.104 0.693 0.555 0.913 0.565 CA 1.518 24 residues pruned to eliminate duplicates Z: 17 17.542 2.092 0.655 0.525 0.875 0.438 CA 1.412 17 residues pruned to eliminate duplicates Z: 24 24.045 2.116 0.541 0.518 0.957 0.565 CA 1.578 24 residues pruned to eliminate duplicates Z: 26 21.126 1.988 0.764 0.485 0.880 0.400 CB 1.389 26 residues pruned to eliminate duplicates Z: 25 22.501 2.072 0.661 0.535 0.875 0.625 CB 1.473 25 residues pruned to eliminate duplicates Z: 25 24.932 2.082 0.685 0.578 0.875 0.458 CB 1.538 25 residues pruned to eliminate duplicates Z: 20 12.731 1.728 0.272 0.584 0.947 0.579 CB 1.293 20 residues pruned to eliminate duplicates Z: 20 12.803 1.743 0.261 0.580 0.947 0.474 CB 1.306 20 residues pruned to eliminate duplicates Z: 9 11.109 1.797 0.448 0.823 1.000 0.625 CB 1.141 9 residues pruned to eliminate duplicates Z: 9 10.173 1.801 0.330 0.818 1.000 0.750 CB 1.139 9 residues pruned to eliminate duplicates Z: 16 9.997 1.795 0.240 0.463 0.867 0.400 CA 1.389 16 residues pruned to eliminate duplicates Z: 16 8.418 1.782 0.254 0.467 0.733 0.467 CA 1.372 16 residues pruned to eliminate duplicates Z: 19 12.631 1.797 0.241 0.593 0.889 0.667 CB 1.374 19 residues pruned to eliminate duplicates Z: 18 11.105 1.727 0.329 0.444 1.000 0.588 CB 1.244 18 residues pruned to eliminate duplicates Z: 40 23.341 1.961 0.335 0.697 0.949 0.744 CB 1.257 40 residues pruned to eliminate duplicates Z: 21 11.397 1.726 0.338 0.522 0.900 0.600 CB 1.199 21 residues pruned to eliminate duplicates Z: 17 9.209 1.800 0.200 0.447 0.875 0.562 CB 1.287 17 residues pruned to eliminate duplicates Z: 19 10.634 1.711 0.317 0.440 0.944 0.444 CA 1.253 19 residues pruned to eliminate duplicates Z: 42 22.571 1.929 0.277 0.681 0.976 0.707 CB 1.242 42 residues pruned to eliminate duplicates Z: 41 24.942 1.950 0.428 0.690 0.975 0.650 CB 1.221 41 residues pruned to eliminate duplicates Z: 42 23.281 1.937 0.430 0.652 0.902 0.561 CB 1.263 42 residues pruned to eliminate duplicates Z: 38 23.213 1.936 0.471 0.646 0.919 0.595 CB 1.272 38 residues pruned to eliminate duplicates Z: 39 25.054 1.951 0.505 0.683 0.921 0.605 CB 1.270 39 residues pruned to eliminate duplicates Z: 29 21.823 1.994 0.569 0.749 0.893 0.679 CB 1.183 29 residues pruned to eliminate duplicates Z: 38 26.378 1.964 0.480 0.693 1.000 0.568 CB 1.250 38 residues pruned to eliminate duplicates Z: 29 21.476 1.963 0.484 0.737 0.964 0.607 CB 1.168 29 residues pruned to eliminate duplicates Z: 31 19.006 1.946 0.359 0.680 0.967 0.667 CB 1.151 31 residues pruned to eliminate duplicates Z: 39 25.310 1.958 0.484 0.679 0.947 0.632 CB 1.265 39 residues pruned to eliminate duplicates Z: 21 27.120 2.153 0.556 0.910 0.950 0.800 CB 1.351 21 residues pruned to eliminate duplicates Z: 41 26.943 1.934 0.453 0.692 0.950 0.700 CB 1.338 41 residues pruned to eliminate duplicates Z: 24 24.839 2.086 0.496 0.803 0.957 0.739 CB 1.331 24 residues pruned to eliminate duplicates Z: 28 22.405 1.993 0.568 0.744 0.926 0.667 CB 1.198 28 residues pruned to eliminate duplicates Z: 42 26.264 1.924 0.541 0.651 0.951 0.683 CB 1.263 42 residues pruned to eliminate duplicates Z: 24 25.033 2.085 0.578 0.827 0.957 0.652 CB 1.250 24 residues pruned to eliminate duplicates Z: 24 21.272 2.085 0.442 0.802 0.957 0.870 CB 1.185 24 residues pruned to eliminate duplicates Z: 26 22.269 2.025 0.459 0.780 0.960 0.760 CB 1.227 26 residues pruned to eliminate duplicates Z: 38 22.233 1.918 0.426 0.608 0.919 0.676 CB 1.312 38 residues pruned to eliminate duplicates Z: 27 26.265 2.012 0.572 0.771 1.000 0.731 CB 1.281 27 residues pruned to eliminate duplicates Z: 29 21.878 1.983 0.440 0.697 0.964 0.750 CB 1.254 29 residues pruned to eliminate duplicates Z: 37 18.895 1.906 0.389 0.563 0.889 0.611 CB 1.258 37 residues pruned to eliminate duplicates Z: 26 24.780 2.042 0.466 0.782 1.000 0.800 CB 1.292 26 residues pruned to eliminate duplicates Z: 13 15.940 2.215 0.505 0.762 0.750 0.500 CB 1.458 13 residues pruned to eliminate duplicates Z: 35 21.959 1.933 0.462 0.609 0.912 0.588 CB 1.317 35 residues pruned to eliminate duplicates Z: 49 37.957 2.035 0.670 0.784 0.979 0.708 CB 1.282 49 residues pruned to eliminate duplicates Z: 27 25.683 2.064 0.611 0.763 0.962 0.538 CB 1.248 27 residues pruned to eliminate duplicates Z: 47 39.167 2.054 0.722 0.754 0.978 0.804 CB 1.331 47 residues pruned to eliminate duplicates Z: 57 34.778 2.065 0.518 0.707 0.929 0.732 CB 1.323 57 residues pruned to eliminate duplicates Z: 66 36.447 1.975 0.526 0.718 0.938 0.646 CB 1.312 66 residues pruned to eliminate duplicates Z: 57 35.847 2.021 0.639 0.727 0.929 0.536 CB 1.269 57 residues pruned to eliminate duplicates Z: 24 21.972 2.125 0.422 0.752 0.913 0.652 CA 1.327 24 residues pruned to eliminate duplicates Z: 21 31.386 2.149 0.841 0.807 0.950 0.650 CA 1.429 21 residues pruned to eliminate duplicates Z: 23 28.731 2.080 0.641 0.854 0.955 0.636 CB 1.388 23 residues pruned to eliminate duplicates Z: 25 30.661 2.065 0.905 0.821 0.917 0.500 CB 1.314 25 residues pruned to eliminate duplicates Z: 49 36.964 2.021 0.841 0.787 0.917 0.417 CB 1.216 49 residues pruned to eliminate duplicates Z: 61 37.607 2.077 0.575 0.735 0.917 0.533 CB 1.311 61 residues pruned to eliminate duplicates Z: 23 24.366 1.994 0.835 0.799 0.864 0.364 CB 1.266 23 residues pruned to eliminate duplicates Z: 61 41.682 2.001 0.718 0.736 0.967 0.550 CB 1.310 61 residues pruned to eliminate duplicates Z: 49 40.426 2.037 0.735 0.801 0.958 0.542 CB 1.325 49 residues pruned to eliminate duplicates Z: 41 25.313 1.913 0.720 0.623 0.825 0.375 CB 1.312 41 residues pruned to eliminate duplicates Z: 47 41.543 2.071 0.758 0.836 0.957 0.500 CB 1.316 47 residues pruned to eliminate duplicates Z: 20 34.220 2.126 0.986 0.923 0.947 0.316 CB 1.379 20 residues pruned to eliminate duplicates Z: 38 32.633 1.998 0.749 0.726 0.946 0.378 CB 1.324 38 residues pruned to eliminate duplicates Z: 62 42.841 2.056 0.788 0.732 0.918 0.557 CB 1.319 68 residues pruned to eliminate duplicates Z: 59 38.079 2.018 0.749 0.763 0.966 0.534 CB 1.162 59 residues pruned to eliminate duplicates Z: 17 32.280 2.159 0.954 0.859 0.938 0.188 CB 1.501 17 residues pruned to eliminate duplicates Z: 48 34.173 2.069 0.726 0.723 0.894 0.468 CB 1.277 48 residues pruned to eliminate duplicates Z: 89 42.932 2.054 0.610 0.682 0.898 0.591 CB 1.304 89 residues pruned to eliminate duplicates Z: 46 26.392 1.983 0.714 0.632 0.800 0.378 CB 1.278 46 residues pruned to eliminate duplicates Z: 65 37.577 1.956 0.573 0.720 0.938 0.547 CB 1.335 65 residues pruned to eliminate duplicates Z: 34 28.353 2.019 0.670 0.705 0.909 0.364 CB 1.336 34 residues pruned to eliminate duplicates Z: 71 38.166 1.986 0.679 0.654 0.929 0.543 CB 1.276 71 residues pruned to eliminate duplicates Z: 45 36.621 2.080 0.772 0.722 0.886 0.455 CB 1.383 45 residues pruned to eliminate duplicates Z: 44 34.344 2.046 0.686 0.714 0.953 0.349 CB 1.311 44 residues pruned to eliminate duplicates Z: 58 44.407 2.101 0.765 0.728 0.895 0.561 CB 1.444 58 residues pruned to eliminate duplicates Z: 95 43.336 2.053 0.483 0.656 0.915 0.574 CB 1.388 95 residues pruned to eliminate duplicates Z: 135 49.243 2.024 0.527 0.667 0.903 0.545 CB 1.306 135 residues pruned to eliminate duplicates Z: 55 39.352 2.037 0.679 0.679 0.963 0.537 CB 1.380 55 residues pruned to eliminate duplicates Z: 19 15.852 1.963 0.602 0.533 0.889 0.611 CB 1.294 19 residues pruned to eliminate duplicates Z: 83 36.014 2.049 0.414 0.649 0.927 0.610 CB 1.289 83 residues pruned to eliminate duplicates Z: 32 17.117 1.914 0.535 0.513 0.871 0.613 CB 1.185 32 residues pruned to eliminate duplicates Z: 72 36.099 1.996 0.644 0.605 0.887 0.521 CB 1.332 72 residues pruned to eliminate duplicates Z: 50 36.318 2.043 0.784 0.702 0.898 0.490 CB 1.318 50 residues pruned to eliminate duplicates Z: 27 26.172 2.111 0.680 0.600 0.962 0.731 CB 1.368 27 residues pruned to eliminate duplicates Z: 83 37.845 2.033 0.507 0.645 0.939 0.646 CB 1.268 83 residues pruned to eliminate duplicates Z: 55 40.236 2.066 0.720 0.718 0.907 0.537 CB 1.394 55 residues pruned to eliminate duplicates Z: 6 9.933 2.224 0.025 0.881 1.000 1.000 CA 1.411 6 residues pruned to eliminate duplicates Z: 41 33.154 2.072 0.717 0.744 0.900 0.525 CB 1.316 41 residues pruned to eliminate duplicates Z: 41 24.434 2.041 0.381 0.583 0.900 0.775 CB 1.406 41 residues pruned to eliminate duplicates Z: 61 38.101 2.015 0.583 0.658 0.983 0.617 CB 1.355 61 residues pruned to eliminate duplicates Z: 68 38.365 2.053 0.531 0.682 0.940 0.582 CB 1.342 68 residues pruned to eliminate duplicates Z: 72 40.813 1.997 0.643 0.642 0.972 0.507 CB 1.330 72 residues pruned to eliminate duplicates Z: 33 28.623 2.093 0.596 0.703 0.906 0.750 CB 1.389 33 residues pruned to eliminate duplicates Z: 46 27.215 1.990 0.536 0.674 0.867 0.578 CB 1.304 46 residues pruned to eliminate duplicates Z: 31 28.809 2.073 0.645 0.598 0.967 0.667 CB 1.453 31 residues pruned to eliminate duplicates Z: 83 40.038 2.032 0.545 0.643 0.927 0.671 CB 1.330 83 residues pruned to eliminate duplicates Z: 115 51.542 2.057 0.584 0.699 0.921 0.570 CB 1.342 115 residues pruned to eliminate duplicates Z: 16 22.524 2.130 0.542 0.707 0.933 0.600 CB 1.572 16 residues pruned to eliminate duplicates Z: 19 25.777 2.080 0.705 0.656 0.944 0.722 CB 1.568 19 residues pruned to eliminate duplicates Z: 33 27.652 2.020 0.617 0.626 0.938 0.562 CB 1.417 33 residues pruned to eliminate duplicates Z: 16 32.931 2.136 1.016 0.739 1.000 0.733 CB 1.594 16 residues pruned to eliminate duplicates Z: 68 35.508 2.033 0.590 0.634 0.896 0.552 CB 1.321 68 residues pruned to eliminate duplicates Z: 40 23.475 2.025 0.540 0.552 0.821 0.564 CB 1.397 40 residues pruned to eliminate duplicates Z: 64 42.378 2.037 0.670 0.711 0.937 0.429 CB 1.384 64 residues pruned to eliminate duplicates Z: 41 31.851 2.048 0.602 0.626 0.950 0.625 CB 1.435 41 residues pruned to eliminate duplicates Z: 95 43.088 2.060 0.536 0.658 0.894 0.521 CB 1.357 95 residues pruned to eliminate duplicates Z: 66 35.828 2.020 0.583 0.636 0.892 0.538 CB 1.370 66 residues pruned to eliminate duplicates Z: 116 51.927 2.037 0.699 0.668 0.913 0.530 CB 1.312 116 residues pruned to eliminate duplicates Z: 49 30.281 2.040 0.513 0.595 0.938 0.604 CB 1.379 49 residues pruned to eliminate duplicates Z: 39 25.783 2.049 0.469 0.577 0.947 0.632 CB 1.362 39 residues pruned to eliminate duplicates Z: 62 38.973 2.051 0.687 0.670 0.934 0.557 CB 1.319 62 residues pruned to eliminate duplicates Z: 38 29.376 2.053 0.537 0.627 0.946 0.622 CB 1.436 38 residues pruned to eliminate duplicates Z: 42 27.421 2.002 0.534 0.556 0.927 0.683 CB 1.424 42 residues pruned to eliminate duplicates Z: 50 23.786 1.987 0.382 0.639 0.857 0.469 CB 1.268 50 residues pruned to eliminate duplicates Z: 72 40.043 2.067 0.534 0.693 0.915 0.535 CB 1.373 72 residues pruned to eliminate duplicates Z: 41 27.009 2.006 0.542 0.602 0.975 0.525 CB 1.285 41 residues pruned to eliminate duplicates Z: 29 21.065 1.954 0.647 0.512 0.929 0.607 CB 1.316 29 residues pruned to eliminate duplicates Z: 47 22.111 2.028 0.311 0.638 0.848 0.478 CB 1.271 47 residues pruned to eliminate duplicates Z: 82 43.403 2.053 0.604 0.652 0.938 0.531 CB 1.354 82 residues pruned to eliminate duplicates Z: 39 23.966 2.037 0.395 0.670 0.895 0.553 CB 1.307 39 residues pruned to eliminate duplicates Z: 60 32.085 2.044 0.508 0.654 0.881 0.593 CB 1.333 60 residues pruned to eliminate duplicates Z: 59 32.665 2.042 0.535 0.660 0.897 0.534 CB 1.315 59 residues pruned to eliminate duplicates Z: 47 27.682 2.020 0.440 0.644 0.935 0.500 CB 1.312 47 residues pruned to eliminate duplicates Z: 63 37.958 2.048 0.619 0.665 0.919 0.484 CB 1.357 63 residues pruned to eliminate duplicates Z: 61 31.478 1.990 0.439 0.651 0.933 0.550 CB 1.321 61 residues pruned to eliminate duplicates Z: 60 30.629 2.018 0.479 0.628 0.915 0.508 CB 1.294 60 residues pruned to eliminate duplicates Z: 88 48.678 2.042 0.665 0.681 0.920 0.644 CB 1.413 88 residues pruned to eliminate duplicates Z: 55 32.176 1.991 0.516 0.667 0.944 0.500 CB 1.317 55 residues pruned to eliminate duplicates Z: 60 31.074 2.033 0.464 0.645 0.898 0.525 CB 1.322 60 residues pruned to eliminate duplicates Z: 141 57.981 2.025 0.651 0.677 0.936 0.600 CB 1.331 141 residues pruned to eliminate duplicates Z: 60 35.567 2.030 0.482 0.685 0.949 0.661 CB 1.368 60 residues pruned to eliminate duplicates Z: 75 45.880 2.049 0.698 0.689 0.919 0.473 CB 1.403 75 residues pruned to eliminate duplicates Z: 25 22.392 1.929 0.599 0.652 0.958 0.500 CB 1.342 25 residues pruned to eliminate duplicates Z: 85 40.097 2.003 0.644 0.627 0.917 0.452 CB 1.286 85 residues pruned to eliminate duplicates Z: 29 27.452 2.062 0.711 0.766 0.893 0.607 CB 1.301 29 residues pruned to eliminate duplicates Z: 90 39.162 2.026 0.590 0.611 0.910 0.483 CB 1.275 90 residues pruned to eliminate duplicates Z: 34 29.429 2.064 0.609 0.764 0.909 0.576 CB 1.342 34 residues pruned to eliminate duplicates Z: 91 46.577 2.052 0.597 0.666 0.922 0.567 CB 1.392 91 residues pruned to eliminate duplicates Z: 80 44.919 2.056 0.632 0.678 0.962 0.557 CB 1.330 80 residues pruned to eliminate duplicates Z: 52 34.002 2.040 0.498 0.691 0.941 0.569 CB 1.390 52 residues pruned to eliminate duplicates Z: 58 32.689 2.000 0.511 0.639 0.912 0.544 CB 1.379 58 residues pruned to eliminate duplicates Z: 60 32.376 2.026 0.508 0.666 0.915 0.542 CB 1.293 60 residues pruned to eliminate duplicates Z: 48 25.819 1.996 0.361 0.675 0.915 0.617 CB 1.289 48 residues pruned to eliminate duplicates Z: 60 32.222 2.001 0.516 0.670 0.915 0.576 CB 1.291 60 residues pruned to eliminate duplicates Z: 34 27.782 2.076 0.547 0.759 0.909 0.515 CB 1.316 34 residues pruned to eliminate duplicates Z: 63 40.392 2.041 0.683 0.675 0.952 0.484 CB 1.336 63 residues pruned to eliminate duplicates Z: 48 29.348 1.998 0.534 0.656 0.957 0.447 CB 1.262 48 residues pruned to eliminate duplicates Z: 75 41.879 2.047 0.683 0.668 0.919 0.527 CB 1.316 75 residues pruned to eliminate duplicates Z: 85 46.858 2.049 0.600 0.683 0.940 0.631 CB 1.402 85 residues pruned to eliminate duplicates Z: 62 43.890 2.057 0.747 0.688 0.967 0.574 CB 1.361 62 residues pruned to eliminate duplicates Z: 61 34.765 2.026 0.552 0.649 0.950 0.600 CB 1.308 61 residues pruned to eliminate duplicates Z: 84 45.741 2.067 0.617 0.673 0.940 0.639 CB 1.363 84 residues pruned to eliminate duplicates Z: 60 36.082 2.018 0.579 0.670 0.949 0.576 CB 1.328 60 residues pruned to eliminate duplicates Z: 121 53.806 2.042 0.691 0.678 0.917 0.583 CB 1.318 121 residues pruned to eliminate duplicates Z: 116 53.750 2.040 0.645 0.690 0.904 0.591 CB 1.388 116 residues pruned to eliminate duplicates Z: 94 45.087 2.056 0.587 0.658 0.935 0.591 CB 1.322 94 residues pruned to eliminate duplicates Z: 114 51.550 2.048 0.642 0.647 0.929 0.469 CB 1.353 114 residues pruned to eliminate duplicates Z: 60 31.724 1.993 0.591 0.614 0.898 0.373 CB 1.301 60 residues pruned to eliminate duplicates Z: 13 15.169 2.000 0.429 0.653 1.000 0.583 CB 1.329 13 residues pruned to eliminate duplicates Z: 158 59.286 1.985 0.659 0.662 0.955 0.554 CB 1.294 158 residues pruned to eliminate duplicates Z: 58 33.233 1.975 0.559 0.625 0.965 0.509 CB 1.317 58 residues pruned to eliminate duplicates Z: 13 19.093 1.962 0.699 0.651 0.917 0.583 N 1.568 13 residues pruned to eliminate duplicates Z: 61 36.427 1.993 0.669 0.666 0.933 0.500 CB 1.300 61 residues pruned to eliminate duplicates Z: 30 29.118 2.031 0.704 0.721 0.897 0.621 CB 1.426 30 residues pruned to eliminate duplicates Z: 14 19.185 1.958 0.731 0.708 0.923 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 62 35.266 1.975 0.641 0.673 0.951 0.508 CB 1.249 62 residues pruned to eliminate duplicates Z: 18 15.097 1.818 0.703 0.599 0.824 0.471 CA 1.307 18 residues pruned to eliminate duplicates Z: 6 2.991 1.442 0.572 0.294 0.800 0.200 CA 0.929 6 residues pruned to eliminate duplicates Z: 11 13.710 1.730 0.652 0.759 1.000 0.700 CB 1.204 9 residues pruned to eliminate duplicates Z: 10 13.036 1.781 0.573 0.741 1.000 0.556 CB 1.249 10 residues pruned to eliminate duplicates Z: 8 8.016 1.655 0.282 0.679 1.000 0.429 CB 1.211 8 residues pruned to eliminate duplicates Z: 12 12.123 1.644 0.509 0.667 1.000 0.455 CB 1.263 12 residues pruned to eliminate duplicates Z: 13 12.316 1.576 0.672 0.655 1.000 0.750 CB 1.168 11 residues pruned to eliminate duplicates Z: 9 11.541 1.688 0.455 0.855 0.875 0.375 CB 1.402 9 residues pruned to eliminate duplicates Z: 12 11.793 1.641 0.532 0.674 1.000 0.727 CB 1.206 13 residues pruned to eliminate duplicates Z: 11 11.729 1.524 0.478 0.831 1.000 0.800 CB 1.237 12 residues pruned to eliminate duplicates Z: 10 13.615 1.584 0.816 0.846 0.889 0.333 CA 1.318 10 residues pruned to eliminate duplicates Z: 11 11.802 1.443 0.652 0.849 1.000 0.800 CA 1.160 11 residues pruned to eliminate duplicates 527 residues left after pruning, divided into chains as follows: A: 11 B: 19 C: 8 D: 11 E: 71 F: 34 G: 7 H: 40 I: 127 J: 24 K: 158 L: 6 M: 11 CC for partial structure against native data = 38.09 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.391, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.446, Connect. = 0.730 for dens.mod. cycle 2 = 0.301, Contrast = 0.535, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.542, Connect. = 0.763 for dens.mod. cycle 4 = 0.301, Contrast = 0.552, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.558, Connect. = 0.766 for dens.mod. cycle 6 = 0.301, Contrast = 0.564, Connect. = 0.767 for dens.mod. cycle 7 = 0.300, Contrast = 0.568, Connect. = 0.768 for dens.mod. cycle 8 = 0.301, Contrast = 0.572, Connect. = 0.768 for dens.mod. cycle 9 TimeTaking 134.17