null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:12:17 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-noncs/1z82-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.ins Phases from ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.phi Native data from ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.hkl Listing output to ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.lst Phases output to ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.phs Poly-Ala trace output to ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 40539 Reflections read from file ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.phi 40539 Reflections read from file ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.hkl 40539 Unique data, highest resolution = 2.000 Angstroms Anisotropic scaling: intensities multiplied by 0.002292h^2 +0.000126k^2 -0.000692l^2 +0.000000kl +0.001363hl +0.000000hk 142 Reflections with d > 2.200 and 0 in range 2.200 > d > 2.000 added Density sharpening factor set to 0.75 Fourier grid = 128 x 128 x 57 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.694 = 0.230, Contrast = 0.054, Connect. = 0.544 for dens.mod. cycle 1 = 0.241, Contrast = 0.187, Connect. = 0.596 for dens.mod. cycle 2 = 0.260, Contrast = 0.343, Connect. = 0.689 for dens.mod. cycle 3 = 0.271, Contrast = 0.403, Connect. = 0.713 for dens.mod. cycle 4 = 0.284, Contrast = 0.441, Connect. = 0.728 for dens.mod. cycle 5 = 0.294, Contrast = 0.463, Connect. = 0.735 for dens.mod. cycle 6 = 0.300, Contrast = 0.480, Connect. = 0.741 for dens.mod. cycle 7 = 0.300, Contrast = 0.492, Connect. = 0.746 for dens.mod. cycle 8 = 0.300, Contrast = 0.507, Connect. = 0.752 for dens.mod. cycle 9 = 0.300, Contrast = 0.518, Connect. = 0.756 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3044 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 680 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 26.333 2.032 0.548 0.939 0.955 0.773 CB 1.300 B: 20 26.947 2.081 0.543 0.934 1.000 0.684 CB 1.343 20 residues pruned to eliminate duplicates C: 9 9.372 1.887 0.378 0.831 0.750 0.625 CB 1.277 D: 8 11.662 1.770 0.845 0.824 0.857 0.714 CB 1.189 E: 23 24.806 1.949 0.569 0.910 1.000 0.818 CB 1.226 F: 22 24.479 1.961 0.495 0.948 1.000 1.000 CB 1.259 G: 14 16.177 1.821 0.664 0.897 0.923 0.769 CA 1.148 8 residues pruned to eliminate duplicates H: 15 18.289 1.820 0.613 0.927 1.000 1.000 CB 1.166 14 residues pruned to eliminate duplicates I: 8 9.565 1.919 0.426 0.831 0.857 0.714 CB 1.158 9 residues pruned to eliminate duplicates J: 20 24.539 2.044 0.486 0.901 1.000 0.895 CB 1.323 20 residues pruned to eliminate duplicates K: 22 27.209 1.980 0.729 0.935 0.952 0.667 CB 1.269 22 residues pruned to eliminate duplicates L: 22 23.597 1.915 0.810 0.894 0.905 0.476 CB 1.178 22 residues pruned to eliminate duplicates M: 21 25.851 1.914 0.732 0.922 1.000 0.950 CB 1.226 20 residues pruned to eliminate duplicates N: 26 21.970 1.917 0.692 0.544 0.920 0.640 CB 1.410 8 residues pruned to eliminate duplicates O: 14 11.170 1.913 -0.039 0.907 1.000 0.846 CB 1.198 P: 22 27.717 1.929 0.983 0.902 1.000 0.667 CB 1.127 23 residues pruned to eliminate duplicates Q: 13 12.012 1.859 0.837 0.758 0.917 0.500 CB 0.881 R: 9 13.948 1.817 0.706 0.861 1.000 0.625 CB 1.169 9 residues pruned to eliminate duplicates S: 23 23.187 1.900 0.851 0.830 0.955 0.773 CB 1.107 23 residues pruned to eliminate duplicates T: 24 25.945 2.038 0.559 0.892 0.957 0.826 CB 1.278 U: 26 27.402 2.021 0.499 0.911 1.000 0.840 CB 1.282 22 residues pruned to eliminate duplicates V: 27 27.607 1.979 0.486 0.918 1.000 0.692 CB 1.299 27 residues pruned to eliminate duplicates W: 26 28.207 2.048 0.572 0.923 0.960 0.840 CB 1.282 27 residues pruned to eliminate duplicates X: 13 23.711 2.005 0.864 0.911 1.000 0.917 CA 1.298 Y: 24 21.470 1.979 0.508 0.926 1.000 0.739 CB 1.052 24 residues pruned to eliminate duplicates Z: 11 13.816 1.983 0.592 0.889 0.900 0.500 CB 1.108 11 residues pruned to eliminate duplicates Z: 24 26.874 1.866 0.759 0.896 1.000 0.826 CB 1.223 23 residues pruned to eliminate duplicates Z: 22 28.112 1.940 0.694 0.918 1.000 0.857 CB 1.316 22 residues pruned to eliminate duplicates Z: 12 20.421 1.935 0.733 0.912 1.000 0.909 CA 1.300 12 residues pruned to eliminate duplicates Z: 14 23.930 1.912 0.723 0.880 1.000 0.692 CA 1.460 14 residues pruned to eliminate duplicates Z: 7 9.376 2.056 -0.011 0.875 1.000 1.000 CB 1.370 7 residues pruned to eliminate duplicates Z: 24 22.254 1.839 0.453 0.916 1.000 0.913 CA 1.227 24 residues pruned to eliminate duplicates Z: 22 32.912 1.991 1.040 0.923 1.000 0.571 CB 1.242 22 residues pruned to eliminate duplicates Z: 12 17.370 1.862 1.057 0.857 0.909 0.545 CA 1.109 Z: 15 11.750 1.840 0.224 0.913 0.929 0.786 CB 1.063 14 residues pruned to eliminate duplicates Z: 22 22.185 1.974 0.505 0.909 0.905 0.619 CA 1.278 22 residues pruned to eliminate duplicates Z: 22 20.053 1.909 0.382 0.936 0.952 0.857 CB 1.213 22 residues pruned to eliminate duplicates Z: 13 20.549 1.891 0.993 0.909 1.000 0.667 CB 1.117 Z: 12 23.761 1.959 0.804 0.887 1.000 0.727 CB 1.462 13 residues pruned to eliminate duplicates Z: 26 25.232 2.032 0.497 0.917 0.960 0.440 CB 1.220 26 residues pruned to eliminate duplicates Z: 15 19.834 1.844 0.947 0.838 1.000 0.571 CB 1.103 12 residues pruned to eliminate duplicates Z: 10 13.259 1.756 0.557 0.900 1.000 0.889 CA 1.154 10 residues pruned to eliminate duplicates Z: 14 10.258 1.784 0.313 0.899 1.000 0.923 CA 0.869 12 residues pruned to eliminate duplicates Z: 13 24.692 2.018 0.829 0.933 1.000 0.917 CA 1.347 13 residues pruned to eliminate duplicates Z: 10 12.146 1.860 0.781 0.897 1.000 0.889 CB 0.875 10 residues pruned to eliminate duplicates Z: 23 20.819 2.030 0.345 0.913 0.955 0.818 CB 1.206 23 residues pruned to eliminate duplicates Z: 11 29.310 2.074 1.016 0.915 1.000 0.600 CA 1.565 11 residues pruned to eliminate duplicates Z: 25 19.437 1.950 0.525 0.896 0.958 0.583 CB 0.997 24 residues pruned to eliminate duplicates Z: 21 30.718 2.009 0.843 0.926 1.000 0.800 CB 1.301 21 residues pruned to eliminate duplicates Z: 11 12.519 1.787 0.222 0.912 1.000 0.900 CB 1.283 Z: 41 23.944 1.879 0.502 0.501 0.950 0.550 CB 1.410 19 residues pruned to eliminate duplicates Z: 22 27.039 1.942 0.752 0.935 1.000 0.857 CB 1.209 22 residues pruned to eliminate duplicates Z: 12 21.410 1.938 0.790 0.905 1.000 0.636 CB 1.324 Z: 25 30.848 2.065 0.592 0.919 1.000 0.875 CB 1.350 25 residues pruned to eliminate duplicates Z: 16 24.832 2.048 0.771 0.879 0.933 0.667 CB 1.373 16 residues pruned to eliminate duplicates Z: 8 9.425 1.940 0.495 0.797 0.857 0.429 CB 1.105 8 residues pruned to eliminate duplicates Z: 11 13.118 1.778 0.275 0.914 1.000 1.000 CB 1.294 11 residues pruned to eliminate duplicates Z: 21 30.722 1.981 0.923 0.921 1.000 0.750 CB 1.269 21 residues pruned to eliminate duplicates Z: 15 14.709 1.752 0.549 0.838 1.000 0.643 CB 1.083 14 residues pruned to eliminate duplicates Z: 14 13.488 1.750 0.530 0.854 1.000 0.846 CA 1.032 14 residues pruned to eliminate duplicates Z: 12 19.007 2.050 0.441 0.917 1.000 0.909 CA 1.369 12 residues pruned to eliminate duplicates Z: 14 22.364 1.851 0.838 0.898 1.000 0.846 CB 1.304 Z: 10 13.490 1.918 0.769 0.912 0.889 0.556 CA 1.056 10 residues pruned to eliminate duplicates Z: 23 13.486 1.771 0.661 0.650 0.864 0.591 CB 0.984 23 residues pruned to eliminate duplicates Z: 24 26.292 1.808 0.813 0.895 1.000 0.652 CA 1.199 24 residues pruned to eliminate duplicates Z: 24 22.395 1.967 0.491 0.915 0.957 0.870 CB 1.177 24 residues pruned to eliminate duplicates Z: 13 19.294 1.850 0.898 0.875 0.917 0.667 CB 1.258 13 residues pruned to eliminate duplicates Z: 13 20.717 1.825 0.941 0.911 1.000 0.667 CB 1.196 12 residues pruned to eliminate duplicates Z: 15 9.896 1.855 0.508 0.436 0.786 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 12 26.332 1.894 1.182 0.882 1.000 0.636 CB 1.391 23 residues pruned to eliminate duplicates Z: 16 21.027 1.747 1.024 0.831 1.000 0.867 CA 1.154 16 residues pruned to eliminate duplicates Z: 15 13.953 1.810 0.348 0.904 1.000 0.714 CB 1.088 15 residues pruned to eliminate duplicates Z: 24 20.984 2.012 0.397 0.901 0.913 0.565 CB 1.217 24 residues pruned to eliminate duplicates Z: 26 15.466 1.864 0.746 0.560 0.880 0.600 CB 1.019 13 residues pruned to eliminate duplicates Z: 13 17.777 1.793 0.548 0.906 1.000 0.917 CB 1.315 13 residues pruned to eliminate duplicates Z: 13 19.117 1.890 0.904 0.925 0.917 0.750 CB 1.174 13 residues pruned to eliminate duplicates Z: 26 27.090 2.016 0.522 0.861 0.960 0.720 CB 1.352 26 residues pruned to eliminate duplicates Z: 24 19.779 1.954 0.517 0.906 0.957 0.870 CB 1.034 24 residues pruned to eliminate duplicates Z: 23 35.305 1.967 1.016 0.930 1.000 0.864 CB 1.327 23 residues pruned to eliminate duplicates Z: 13 18.744 1.919 0.775 0.918 1.000 0.750 CB 1.120 13 residues pruned to eliminate duplicates Z: 6 10.068 1.902 0.392 0.779 1.000 0.600 CB 1.330 Z: 11 14.382 1.814 0.836 0.830 0.900 0.800 CB 1.141 11 residues pruned to eliminate duplicates Z: 35 18.446 1.835 0.485 0.450 0.941 0.559 CB 1.298 32 residues pruned to eliminate duplicates Z: 13 17.905 1.887 0.659 0.869 1.000 0.750 CB 1.206 13 residues pruned to eliminate duplicates Z: 16 19.219 1.831 0.704 0.898 1.000 0.667 CB 1.138 16 residues pruned to eliminate duplicates Z: 15 18.045 1.773 0.733 0.861 0.929 0.571 CB 1.242 15 residues pruned to eliminate duplicates Z: 9 16.563 1.822 0.796 0.917 1.000 0.875 CA 1.263 Z: 7 12.383 1.916 0.596 0.882 1.000 0.667 CB 1.197 Z: 14 16.189 1.817 0.761 0.918 0.923 0.385 CB 1.072 14 residues pruned to eliminate duplicates Z: 25 24.684 1.929 0.622 0.907 1.000 0.792 CB 1.145 25 residues pruned to eliminate duplicates Z: 14 18.166 1.856 0.698 0.884 0.923 0.769 CB 1.251 14 residues pruned to eliminate duplicates Z: 9 15.752 1.741 0.879 0.896 1.000 0.500 CB 1.219 9 residues pruned to eliminate duplicates Z: 13 13.023 1.752 0.565 0.880 0.917 0.583 CB 1.084 12 residues pruned to eliminate duplicates Z: 21 26.429 2.023 0.657 0.927 1.000 0.800 CB 1.236 21 residues pruned to eliminate duplicates Z: 7 7.621 1.588 0.710 0.535 0.833 0.667 C 1.328 Z: 17 22.787 2.097 0.432 0.873 1.000 0.750 CB 1.381 17 residues pruned to eliminate duplicates Z: 27 16.967 1.742 0.517 0.713 1.000 0.654 CB 1.039 27 residues pruned to eliminate duplicates Z: 11 4.820 1.743 0.617 0.294 0.700 0.600 CB 0.973 Z: 13 16.752 1.937 0.580 0.866 1.000 0.750 CB 1.157 15 residues pruned to eliminate duplicates Z: 6 7.014 1.825 0.112 0.842 0.800 0.800 CB 1.438 6 residues pruned to eliminate duplicates Z: 17 15.992 1.810 0.602 0.615 1.000 0.812 CB 1.236 Z: 11 10.857 1.736 0.209 0.878 0.900 0.800 O 1.319 Z: 7 5.244 1.863 0.277 0.852 0.667 0.500 CB 0.998 Z: 24 30.245 2.009 0.846 0.941 1.000 0.609 CB 1.181 25 residues pruned to eliminate duplicates Z: 21 26.443 2.073 0.554 0.918 1.000 0.800 CB 1.294 21 residues pruned to eliminate duplicates Z: 19 29.417 2.006 0.938 0.927 1.000 0.722 CB 1.250 24 residues pruned to eliminate duplicates Z: 14 21.244 1.836 1.010 0.882 0.923 0.308 CB 1.251 14 residues pruned to eliminate duplicates Z: 20 13.702 1.720 0.225 0.657 1.000 0.842 CA 1.290 20 residues pruned to eliminate duplicates Z: 11 11.718 1.745 0.234 0.899 1.000 0.900 CB 1.230 11 residues pruned to eliminate duplicates Z: 23 16.020 1.755 0.617 0.653 0.955 0.545 CB 1.094 13 residues pruned to eliminate duplicates Z: 8 10.530 1.631 0.415 0.865 1.000 0.571 CB 1.263 Z: 11 11.760 1.656 0.244 0.892 1.000 0.500 CB 1.297 11 residues pruned to eliminate duplicates Z: 20 27.417 1.988 0.948 0.907 0.947 0.842 CB 1.218 20 residues pruned to eliminate duplicates Z: 6 6.029 1.542 0.534 0.486 1.000 0.400 CA 1.156 Z: 14 26.548 2.154 0.779 0.899 1.000 0.615 CB 1.373 14 residues pruned to eliminate duplicates Z: 13 30.862 2.042 1.085 0.940 1.000 0.833 CA 1.453 13 residues pruned to eliminate duplicates Z: 7 4.763 1.650 -0.160 0.857 1.000 1.000 CB 1.034 7 residues pruned to eliminate duplicates Z: 9 13.492 1.920 0.875 0.849 0.875 0.625 CA 1.122 Z: 29 14.275 1.675 0.685 0.626 0.857 0.536 CB 0.991 17 residues pruned to eliminate duplicates Z: 12 19.495 1.894 0.882 0.871 1.000 0.455 CB 1.203 12 residues pruned to eliminate duplicates Z: 22 30.502 1.979 0.936 0.926 1.000 0.429 CB 1.218 22 residues pruned to eliminate duplicates Z: 9 9.926 1.621 0.202 0.885 1.000 0.875 CB 1.300 Z: 16 14.521 1.768 0.401 0.908 1.000 0.867 CA 1.076 18 residues pruned to eliminate duplicates Z: 7 9.376 1.766 0.493 0.857 0.833 0.667 CA 1.284 Z: 16 20.894 1.834 0.807 0.891 1.000 0.800 CB 1.171 16 residues pruned to eliminate duplicates Z: 10 12.438 1.653 0.694 0.883 1.000 0.778 CA 1.071 10 residues pruned to eliminate duplicates Z: 27 25.945 1.964 0.421 0.889 0.962 0.846 CB 1.365 27 residues pruned to eliminate duplicates Z: 7 14.033 1.861 0.799 0.778 1.000 0.500 CB 1.339 7 residues pruned to eliminate duplicates Z: 6 10.270 1.832 0.532 0.701 1.000 0.600 CB 1.363 6 residues pruned to eliminate duplicates Z: 16 11.022 1.666 0.539 0.596 0.867 0.600 CB 1.169 16 residues pruned to eliminate duplicates Z: 12 21.405 1.907 0.680 0.920 1.000 0.727 CB 1.419 12 residues pruned to eliminate duplicates Z: 12 17.855 1.920 0.675 0.917 1.000 0.909 CB 1.181 12 residues pruned to eliminate duplicates Z: 12 21.051 1.888 0.759 0.929 1.000 0.818 CB 1.337 12 residues pruned to eliminate duplicates Z: 7 7.666 1.768 0.465 0.575 1.000 0.833 CB 1.124 Z: 8 6.739 1.782 -0.050 0.851 1.000 0.429 CB 1.113 8 residues pruned to eliminate duplicates Z: 11 12.257 1.820 0.253 0.905 1.000 1.000 CB 1.210 11 residues pruned to eliminate duplicates Z: 23 17.985 1.883 0.392 0.881 0.955 0.818 CA 1.109 19 residues pruned to eliminate duplicates Z: 18 13.140 1.697 0.569 0.564 0.941 0.588 CB 1.195 18 residues pruned to eliminate duplicates Z: 11 7.321 1.677 0.421 0.439 0.900 0.600 CB 1.149 7 residues pruned to eliminate duplicates Z: 27 26.914 1.964 0.528 0.910 1.000 0.846 CB 1.247 27 residues pruned to eliminate duplicates Z: 12 16.034 1.882 0.478 0.909 0.909 0.909 CB 1.356 12 residues pruned to eliminate duplicates Z: 26 24.693 1.951 0.544 0.905 1.000 0.800 CB 1.167 26 residues pruned to eliminate duplicates Z: 23 19.178 1.896 0.248 0.938 1.000 1.000 CA 1.202 23 residues pruned to eliminate duplicates Z: 14 13.527 1.864 0.347 0.860 0.923 0.692 CB 1.190 9 residues pruned to eliminate duplicates Z: 8 8.555 1.692 0.079 0.872 1.000 0.857 CA 1.291 7 residues pruned to eliminate duplicates Z: 25 12.721 1.866 0.607 0.417 0.792 0.500 CB 1.193 25 residues pruned to eliminate duplicates Z: 20 25.622 2.058 0.515 0.919 1.000 0.789 CB 1.328 20 residues pruned to eliminate duplicates Z: 23 22.019 2.020 0.413 0.868 1.000 0.773 CB 1.202 23 residues pruned to eliminate duplicates Z: 8 11.225 1.842 0.440 0.777 1.000 0.714 CB 1.252 8 residues pruned to eliminate duplicates Z: 13 23.055 2.044 0.584 0.936 1.000 1.000 CA 1.432 13 residues pruned to eliminate duplicates Z: 10 11.923 1.559 0.758 0.883 1.000 0.667 CA 1.048 Z: 21 20.493 2.030 0.215 0.897 1.000 0.800 CB 1.330 21 residues pruned to eliminate duplicates Z: 22 32.911 1.995 1.068 0.948 1.000 0.381 CB 1.202 22 residues pruned to eliminate duplicates Z: 6 8.102 1.739 0.170 0.766 1.000 0.600 CB 1.407 5 residues pruned to eliminate duplicates Z: 9 17.572 1.795 0.908 0.917 1.000 0.625 CA 1.280 9 residues pruned to eliminate duplicates Z: 7 8.224 1.671 0.172 0.886 1.000 1.000 CA 1.237 7 residues pruned to eliminate duplicates Z: 23 29.624 1.936 1.022 0.911 0.955 0.773 CB 1.198 23 residues pruned to eliminate duplicates Z: 26 27.845 2.064 0.548 0.926 0.920 0.640 CB 1.329 26 residues pruned to eliminate duplicates Z: 6 4.003 1.572 0.836 0.279 0.800 0.400 CB 0.995 6 residues pruned to eliminate duplicates Z: 9 7.439 1.536 0.680 0.518 1.000 0.875 CA 1.001 9 residues pruned to eliminate duplicates Z: 14 15.941 1.831 0.637 0.891 1.000 0.692 CA 1.060 14 residues pruned to eliminate duplicates Z: 11 22.250 1.866 1.203 0.847 1.000 0.900 CA 1.270 7 residues pruned to eliminate duplicates Z: 10 13.487 1.599 1.064 0.893 1.000 0.667 CB 0.978 10 residues pruned to eliminate duplicates Z: 22 27.682 1.982 0.753 0.925 0.952 0.571 CB 1.281 22 residues pruned to eliminate duplicates Z: 23 23.554 1.870 0.780 0.883 0.955 0.773 CB 1.142 23 residues pruned to eliminate duplicates Z: 22 27.671 1.948 1.039 0.902 0.905 0.333 CB 1.198 22 residues pruned to eliminate duplicates Z: 9 12.121 1.828 0.633 0.735 0.875 0.750 CA 1.329 9 residues pruned to eliminate duplicates Z: 14 19.016 1.885 0.720 0.911 1.000 0.538 CA 1.153 16 residues pruned to eliminate duplicates Z: 15 18.789 1.873 0.782 0.891 0.929 0.714 CB 1.165 15 residues pruned to eliminate duplicates Z: 12 13.513 1.869 0.704 0.868 0.909 0.636 CA 1.029 12 residues pruned to eliminate duplicates Z: 7 6.498 1.889 0.163 0.799 0.833 0.667 CB 1.116 7 residues pruned to eliminate duplicates Z: 13 7.901 1.630 0.644 0.349 0.917 0.500 CB 1.094 12 residues pruned to eliminate duplicates Z: 10 17.974 1.909 0.809 0.912 0.889 0.889 CA 1.382 10 residues pruned to eliminate duplicates Z: 11 13.031 1.991 0.556 0.588 0.900 0.600 CB 1.359 11 residues pruned to eliminate duplicates Z: 12 21.219 1.942 0.877 0.907 1.000 0.909 CB 1.248 12 residues pruned to eliminate duplicates Z: 12 11.437 1.714 0.675 0.797 0.818 0.455 CB 1.132 12 residues pruned to eliminate duplicates Z: 14 16.105 1.790 0.578 0.879 0.923 0.769 CB 1.242 14 residues pruned to eliminate duplicates Z: 8 10.762 1.746 0.306 0.886 1.000 0.714 CA 1.287 8 residues pruned to eliminate duplicates Z: 9 9.405 1.868 0.495 0.831 0.750 0.625 CA 1.193 9 residues pruned to eliminate duplicates Z: 22 25.128 1.937 0.661 0.927 0.952 0.857 CB 1.254 22 residues pruned to eliminate duplicates Z: 6 5.156 1.836 -0.034 0.502 1.000 0.400 CA 1.297 Z: 17 7.096 1.586 0.244 0.520 0.875 0.750 CB 1.008 12 residues pruned to eliminate duplicates Z: 6 4.554 1.620 0.282 0.886 1.000 1.000 CB 0.708 4 residues pruned to eliminate duplicates Z: 7 6.379 1.688 0.201 0.750 0.833 0.833 CB 1.232 7 residues pruned to eliminate duplicates Z: 14 17.313 1.778 0.775 0.886 1.000 0.923 CB 1.098 14 residues pruned to eliminate duplicates Z: 14 18.424 1.847 0.783 0.888 0.923 0.846 CB 1.211 14 residues pruned to eliminate duplicates Z: 19 12.959 1.836 0.491 0.649 0.889 0.667 CB 1.092 19 residues pruned to eliminate duplicates Z: 12 12.004 1.708 0.361 0.817 1.000 0.545 CB 1.183 9 residues pruned to eliminate duplicates Z: 24 22.866 2.043 0.488 0.918 0.913 0.696 CB 1.211 24 residues pruned to eliminate duplicates Z: 22 22.134 1.995 0.365 0.889 0.952 0.810 CB 1.340 22 residues pruned to eliminate duplicates Z: 12 15.902 1.741 1.053 0.856 1.000 0.455 CB 0.989 12 residues pruned to eliminate duplicates Z: 6 7.317 1.664 0.395 0.870 1.000 1.000 CB 1.029 6 residues pruned to eliminate duplicates Z: 6 5.034 1.229 0.569 0.735 1.000 0.600 CA 0.945 Z: 7 9.332 1.772 0.549 0.860 1.000 0.667 CB 1.021 7 residues pruned to eliminate duplicates Z: 22 33.337 1.994 0.948 0.956 1.000 0.857 CB 1.286 22 residues pruned to eliminate duplicates Z: 8 2.089 1.318 0.429 0.288 0.571 0.571 CB 0.931 Z: 6 2.610 1.338 0.484 0.475 0.600 0.600 CA 1.004 Z: 10 8.429 1.662 0.332 0.784 0.889 0.667 CB 1.112 10 residues pruned to eliminate duplicates Z: 6 6.566 1.793 0.165 0.874 1.000 0.800 CB 1.023 6 residues pruned to eliminate duplicates Z: 7 6.008 1.626 0.341 0.411 1.000 0.167 N 1.234 5 residues pruned to eliminate duplicates Z: 12 14.946 1.827 0.567 0.898 1.000 0.727 CA 1.126 12 residues pruned to eliminate duplicates Z: 15 18.651 1.712 0.825 0.880 1.000 0.786 CB 1.156 15 residues pruned to eliminate duplicates Z: 18 10.929 1.731 0.531 0.415 0.824 0.529 CB 1.328 18 residues pruned to eliminate duplicates Z: 13 12.787 1.845 0.584 0.897 0.833 0.583 CB 1.085 13 residues pruned to eliminate duplicates Z: 10 5.465 1.508 0.128 0.580 0.889 0.778 CB 1.115 Z: 10 15.180 1.824 0.869 0.861 0.889 0.556 CA 1.227 10 residues pruned to eliminate duplicates Z: 13 11.810 1.663 0.453 0.653 0.917 0.500 CB 1.334 11 residues pruned to eliminate duplicates Z: 19 16.871 1.798 0.358 0.914 1.000 0.944 CA 1.153 19 residues pruned to eliminate duplicates Z: 11 12.647 1.774 0.382 0.858 0.900 0.700 CB 1.334 10 residues pruned to eliminate duplicates Z: 9 8.156 1.640 0.369 0.898 1.000 0.625 CB 0.919 8 residues pruned to eliminate duplicates Z: 22 6.250 1.519 0.258 0.426 0.810 0.381 CB 0.951 19 residues pruned to eliminate duplicates Z: 13 17.946 1.758 0.961 0.914 0.917 0.250 CB 1.160 13 residues pruned to eliminate duplicates Z: 13 27.035 2.049 0.830 0.940 1.000 1.000 CA 1.445 13 residues pruned to eliminate duplicates Z: 21 14.119 1.750 0.347 0.590 0.950 0.650 CB 1.294 21 residues pruned to eliminate duplicates Z: 16 17.470 1.980 0.661 0.569 0.933 0.800 CA 1.376 16 residues pruned to eliminate duplicates Z: 8 9.560 1.951 0.039 0.823 1.000 0.857 CB 1.347 8 residues pruned to eliminate duplicates Z: 10 8.149 1.649 0.164 0.728 0.889 0.556 CB 1.297 10 residues pruned to eliminate duplicates Z: 7 7.609 1.971 0.434 0.852 1.000 0.833 CB 0.813 7 residues pruned to eliminate duplicates Z: 17 24.388 2.023 0.907 0.900 0.875 0.562 CB 1.290 17 residues pruned to eliminate duplicates Z: 17 6.807 1.541 0.639 0.300 0.875 0.688 CB 0.963 Z: 14 7.448 1.635 0.437 0.484 0.769 0.538 CB 1.162 14 residues pruned to eliminate duplicates Z: 10 9.757 1.587 0.422 0.827 1.000 0.667 CB 1.085 10 residues pruned to eliminate duplicates Z: 15 18.636 1.806 0.731 0.890 1.000 0.857 CA 1.146 14 residues pruned to eliminate duplicates Z: 12 20.275 1.885 0.693 0.898 1.000 0.909 CB 1.369 13 residues pruned to eliminate duplicates Z: 23 23.401 1.887 0.559 0.908 1.000 0.909 CB 1.204 22 residues pruned to eliminate duplicates Z: 9 5.845 1.644 0.562 0.470 0.625 0.500 CB 1.327 9 residues pruned to eliminate duplicates Z: 21 16.579 1.875 0.818 0.639 0.900 0.600 CB 1.061 24 residues pruned to eliminate duplicates Z: 22 27.064 1.971 0.693 0.921 1.000 0.619 CB 1.246 22 residues pruned to eliminate duplicates Z: 19 6.154 1.694 0.258 0.277 0.889 0.500 CB 0.985 19 residues pruned to eliminate duplicates Z: 10 21.311 1.952 1.034 0.920 1.000 0.889 CA 1.260 10 residues pruned to eliminate duplicates Z: 25 16.787 1.811 0.696 0.566 0.917 0.500 CB 1.142 7 residues pruned to eliminate duplicates Z: 9 10.201 1.649 0.551 0.891 1.000 0.750 CB 1.014 9 residues pruned to eliminate duplicates Z: 8 13.624 1.794 0.798 0.837 1.000 0.857 CB 1.194 8 residues pruned to eliminate duplicates Z: 9 18.412 1.613 1.211 0.883 1.000 0.500 CA 1.319 8 residues pruned to eliminate duplicates Z: 15 14.653 1.872 0.490 0.888 0.929 0.571 CB 1.089 15 residues pruned to eliminate duplicates Z: 12 10.573 1.860 0.174 0.915 1.000 0.818 CB 1.031 12 residues pruned to eliminate duplicates Z: 9 15.677 1.774 0.827 0.871 1.000 0.625 CB 1.247 9 residues pruned to eliminate duplicates Z: 8 9.148 1.590 0.378 0.894 1.000 1.000 CB 1.132 8 residues pruned to eliminate duplicates Z: 10 5.492 1.506 0.591 0.682 0.778 0.556 CB 0.831 10 residues pruned to eliminate duplicates Z: 11 12.031 1.864 0.989 0.900 0.800 0.400 CB 0.916 11 residues pruned to eliminate duplicates Z: 9 17.700 2.126 0.543 0.915 1.000 1.000 CA 1.347 9 residues pruned to eliminate duplicates Z: 11 15.472 1.857 0.747 0.778 0.900 0.600 CA 1.311 11 residues pruned to eliminate duplicates Z: 6 4.409 1.338 0.661 0.648 0.800 0.600 CB 0.967 Z: 10 8.520 1.646 0.587 0.765 0.778 0.333 CA 1.105 10 residues pruned to eliminate duplicates Z: 12 13.013 1.785 0.560 0.880 0.818 0.727 CA 1.248 12 residues pruned to eliminate duplicates Z: 21 30.673 2.013 0.885 0.921 0.950 0.750 CB 1.339 21 residues pruned to eliminate duplicates Z: 14 20.156 1.880 0.889 0.883 0.923 0.615 CA 1.233 14 residues pruned to eliminate duplicates Z: 9 9.851 1.670 0.179 0.864 1.000 0.875 CA 1.296 9 residues pruned to eliminate duplicates Z: 8 5.744 1.448 0.422 0.749 0.857 0.429 CA 0.985 8 residues pruned to eliminate duplicates Z: 9 9.858 1.769 0.537 0.710 1.000 0.750 CA 1.059 9 residues pruned to eliminate duplicates Z: 8 5.562 1.462 0.407 0.603 1.000 0.571 N 0.926 8 residues pruned to eliminate duplicates Z: 8 5.858 1.540 0.382 0.871 0.857 0.714 CB 0.886 10 residues pruned to eliminate duplicates Z: 15 9.084 1.610 0.670 0.482 0.786 0.571 CB 1.171 15 residues pruned to eliminate duplicates Z: 23 23.374 1.988 0.607 0.902 0.955 0.636 CB 1.166 23 residues pruned to eliminate duplicates Z: 8 12.303 1.787 0.528 0.832 1.000 0.714 CA 1.279 8 residues pruned to eliminate duplicates Z: 13 16.506 1.806 0.456 0.897 1.000 0.917 CB 1.296 13 residues pruned to eliminate duplicates Z: 14 14.740 1.857 0.456 0.887 1.000 0.692 CB 1.090 14 residues pruned to eliminate duplicates Z: 12 6.609 1.691 0.157 0.609 0.909 0.545 CB 1.011 Z: 13 16.673 1.803 0.501 0.889 1.000 0.833 CB 1.281 13 residues pruned to eliminate duplicates Z: 16 17.823 1.815 0.733 0.864 0.933 0.800 CB 1.150 16 residues pruned to eliminate duplicates Z: 33 21.970 1.847 0.684 0.491 0.906 0.562 CB 1.390 33 residues pruned to eliminate duplicates Z: 9 9.870 1.841 0.072 0.918 1.000 1.000 CB 1.247 9 residues pruned to eliminate duplicates Z: 12 19.465 1.927 0.973 0.934 1.000 0.727 CB 1.077 12 residues pruned to eliminate duplicates Z: 8 10.545 1.693 0.342 0.843 1.000 0.571 CA 1.306 7 residues pruned to eliminate duplicates Z: 6 4.290 1.656 0.543 0.298 0.800 0.400 C 1.175 Z: 10 12.053 1.653 0.789 0.890 1.000 0.444 CB 0.977 10 residues pruned to eliminate duplicates Z: 10 12.210 1.787 0.608 0.810 0.889 0.444 CA 1.216 10 residues pruned to eliminate duplicates Z: 24 23.759 1.959 0.530 0.885 0.957 0.609 CB 1.248 24 residues pruned to eliminate duplicates Z: 16 11.101 1.722 0.387 0.817 0.933 0.533 CB 0.976 15 residues pruned to eliminate duplicates Z: 11 21.477 1.893 1.072 0.938 1.000 0.500 CB 1.205 11 residues pruned to eliminate duplicates Z: 14 14.733 1.832 0.663 0.848 0.923 0.769 CA 1.078 14 residues pruned to eliminate duplicates Z: 23 25.622 2.011 0.530 0.880 1.000 0.864 CB 1.286 23 residues pruned to eliminate duplicates Z: 12 10.700 1.829 0.559 0.731 0.909 0.545 CB 1.011 12 residues pruned to eliminate duplicates Z: 11 7.139 1.781 0.552 0.329 0.800 0.400 CA 1.232 6 residues pruned to eliminate duplicates Z: 8 7.754 1.561 0.423 0.871 0.857 0.571 CA 1.123 9 residues pruned to eliminate duplicates Z: 11 5.018 1.564 0.402 0.398 0.800 0.400 CB 1.006 11 residues pruned to eliminate duplicates Z: 16 14.731 1.695 0.658 0.899 1.000 0.667 CA 0.967 16 residues pruned to eliminate duplicates Z: 10 13.884 1.978 0.514 0.791 1.000 0.778 CB 1.197 10 residues pruned to eliminate duplicates Z: 8 10.131 1.626 0.462 0.864 1.000 0.714 CA 1.181 8 residues pruned to eliminate duplicates Z: 17 18.612 1.892 0.719 0.702 1.000 0.688 CB 1.190 19 residues pruned to eliminate duplicates Z: 12 7.208 1.663 0.537 0.445 1.000 0.818 CB 0.900 12 residues pruned to eliminate duplicates Z: 15 18.678 1.768 0.724 0.887 1.000 0.929 CB 1.181 15 residues pruned to eliminate duplicates Z: 10 15.408 2.017 0.308 0.845 1.000 0.556 CA 1.447 10 residues pruned to eliminate duplicates Z: 10 8.639 1.554 0.534 0.780 0.889 0.778 CA 1.061 10 residues pruned to eliminate duplicates Z: 7 7.081 1.695 0.022 0.880 1.000 1.000 CA 1.208 7 residues pruned to eliminate duplicates Z: 9 14.084 1.782 0.660 0.881 1.000 0.750 CA 1.219 9 residues pruned to eliminate duplicates Z: 13 24.756 1.947 0.986 0.913 1.000 0.833 CA 1.307 13 residues pruned to eliminate duplicates Z: 10 7.834 1.602 0.091 0.869 1.000 0.778 CA 1.091 10 residues pruned to eliminate duplicates Z: 12 10.484 1.571 0.691 0.650 0.818 0.727 CB 1.264 12 residues pruned to eliminate duplicates Z: 11 12.024 1.797 0.508 0.832 0.800 0.400 CA 1.317 11 residues pruned to eliminate duplicates Z: 6 12.616 1.905 0.991 0.823 1.000 1.000 CA 1.124 6 residues pruned to eliminate duplicates Z: 9 7.576 1.740 0.347 0.508 1.000 0.500 CB 1.134 9 residues pruned to eliminate duplicates Z: 23 24.582 1.965 0.677 0.942 1.000 0.682 CB 1.103 23 residues pruned to eliminate duplicates Z: 26 29.617 2.056 0.589 0.942 1.000 0.600 CB 1.258 26 residues pruned to eliminate duplicates Z: 10 13.536 1.752 0.530 0.876 1.000 0.556 CB 1.224 10 residues pruned to eliminate duplicates Z: 10 6.174 1.513 0.227 0.395 1.000 0.778 CA 1.238 Z: 12 12.144 1.740 0.137 0.885 1.000 0.909 CB 1.336 12 residues pruned to eliminate duplicates Z: 24 25.075 2.007 0.467 0.906 1.000 0.739 CB 1.263 24 residues pruned to eliminate duplicates Z: 9 16.054 1.608 1.029 0.854 1.000 0.750 CA 1.286 9 residues pruned to eliminate duplicates Z: 10 4.143 1.593 0.423 0.281 0.667 0.222 CA 1.170 10 residues pruned to eliminate duplicates Z: 23 23.878 1.950 0.459 0.851 1.000 0.727 CB 1.324 23 residues pruned to eliminate duplicates Z: 8 5.175 1.732 -0.306 0.905 1.000 1.000 CB 1.158 8 residues pruned to eliminate duplicates Z: 11 8.983 1.505 0.700 0.833 0.900 0.800 CB 0.926 11 residues pruned to eliminate duplicates Z: 8 8.146 1.687 0.355 0.470 1.000 0.714 CB 1.388 Z: 10 17.147 1.858 0.765 0.904 1.000 1.000 CA 1.241 9 residues pruned to eliminate duplicates Z: 11 16.572 1.918 1.158 0.866 1.000 0.700 CB 0.927 11 residues pruned to eliminate duplicates Z: 12 8.707 1.805 0.296 0.296 1.000 0.636 CA 1.410 11 residues pruned to eliminate duplicates Z: 14 10.434 1.815 0.306 0.882 0.923 0.385 CB 0.957 14 residues pruned to eliminate duplicates Z: 11 14.745 1.789 0.934 0.805 0.900 0.400 CA 1.147 11 residues pruned to eliminate duplicates Z: 22 20.326 1.906 0.724 0.543 0.905 0.619 CA 1.430 22 residues pruned to eliminate duplicates Z: 9 9.540 1.727 0.254 0.885 1.000 0.875 CB 1.124 9 residues pruned to eliminate duplicates Z: 14 15.136 1.864 0.389 0.929 1.000 0.923 CB 1.134 14 residues pruned to eliminate duplicates Z: 16 25.822 2.051 0.983 0.911 1.000 0.600 CB 1.162 16 residues pruned to eliminate duplicates Z: 6 3.564 1.561 0.771 0.770 0.600 0.600 CB 0.756 6 residues pruned to eliminate duplicates Z: 8 2.341 1.415 0.527 0.100 0.857 0.286 CA 0.796 Z: 12 11.654 1.718 0.667 0.870 1.000 0.909 CB 0.896 12 residues pruned to eliminate duplicates Z: 6 3.213 1.458 0.790 0.614 1.000 0.400 CB 0.494 Z: 11 16.036 1.789 0.869 0.897 1.000 0.700 CA 1.085 11 residues pruned to eliminate duplicates Z: 10 14.271 2.020 0.672 0.903 0.889 0.667 CA 1.129 10 residues pruned to eliminate duplicates Z: 7 10.223 1.681 0.741 0.693 1.000 0.667 CB 1.196 16 residues pruned to eliminate duplicates Z: 10 7.015 1.760 0.095 0.761 0.889 0.667 CB 1.082 10 residues pruned to eliminate duplicates Z: 8 9.105 1.647 0.671 0.571 1.000 0.857 CB 1.168 10 residues pruned to eliminate duplicates Z: 22 23.929 1.930 0.462 0.906 1.000 0.905 CB 1.316 22 residues pruned to eliminate duplicates Z: 8 10.249 1.963 0.665 0.819 1.000 0.714 CB 0.899 8 residues pruned to eliminate duplicates Z: 13 13.297 1.931 0.734 0.649 1.000 0.750 CB 0.998 13 residues pruned to eliminate duplicates Z: 25 29.331 2.090 0.716 0.926 1.000 0.625 CB 1.171 25 residues pruned to eliminate duplicates Z: 8 9.602 1.772 0.948 0.398 0.857 0.714 CB 1.366 8 residues pruned to eliminate duplicates Z: 11 13.077 1.581 0.464 0.861 1.000 0.700 CA 1.313 11 residues pruned to eliminate duplicates Z: 7 4.630 1.460 0.568 0.681 0.667 0.500 N 1.049 7 residues pruned to eliminate duplicates Z: 7 3.167 1.665 0.304 0.758 0.667 0.667 CB 0.710 7 residues pruned to eliminate duplicates Z: 22 28.362 1.958 0.770 0.938 1.000 0.714 CB 1.242 22 residues pruned to eliminate duplicates Z: 11 17.026 1.972 0.919 0.904 0.900 0.600 CB 1.126 11 residues pruned to eliminate duplicates Z: 24 21.280 1.850 0.370 0.903 0.957 0.826 CA 1.304 24 residues pruned to eliminate duplicates Z: 10 8.613 1.900 0.150 0.797 1.000 1.000 CA 1.014 Z: 33 22.574 1.891 0.905 0.688 0.906 0.531 CB 1.029 33 residues pruned to eliminate duplicates Z: 14 16.890 1.769 0.770 0.849 0.846 0.692 CB 1.311 14 residues pruned to eliminate duplicates Z: 20 22.588 1.839 0.757 0.834 0.947 0.737 CA 1.269 20 residues pruned to eliminate duplicates Z: 15 17.196 1.829 0.821 0.886 0.929 0.643 CA 1.072 15 residues pruned to eliminate duplicates Z: 25 10.846 1.534 0.563 0.492 0.875 0.458 CB 1.064 25 residues pruned to eliminate duplicates Z: 61 30.546 1.894 0.769 0.658 0.867 0.367 CB 1.173 84 residues pruned to eliminate duplicates Z: 7 2.553 1.304 0.625 0.226 0.833 0.167 N 0.813 Z: 23 30.493 1.952 0.983 0.890 0.955 0.773 CB 1.265 23 residues pruned to eliminate duplicates Z: 18 10.567 1.683 0.513 0.425 0.882 0.647 CB 1.233 19 residues pruned to eliminate duplicates Z: 6 3.301 1.321 0.270 0.478 1.000 0.400 CB 0.900 Z: 9 15.023 1.769 0.724 0.912 1.000 1.000 CA 1.233 9 residues pruned to eliminate duplicates Z: 17 17.987 1.697 0.869 0.639 1.000 0.625 CA 1.245 11 residues pruned to eliminate duplicates Z: 12 13.889 1.956 0.207 0.896 1.000 0.909 CA 1.271 12 residues pruned to eliminate duplicates Z: 11 12.431 1.714 0.512 0.743 1.000 0.500 CB 1.220 11 residues pruned to eliminate duplicates Z: 9 9.105 1.554 0.410 0.862 1.000 0.625 CB 1.079 9 residues pruned to eliminate duplicates Z: 21 34.605 2.011 1.130 0.951 1.000 0.450 CB 1.245 23 residues pruned to eliminate duplicates Z: 36 21.093 1.741 0.653 0.586 0.914 0.714 CB 1.247 36 residues pruned to eliminate duplicates Z: 7 4.482 1.790 -0.310 0.835 1.000 0.667 CB 1.110 7 residues pruned to eliminate duplicates Z: 9 12.547 1.786 0.506 0.915 1.000 0.875 CB 1.165 9 residues pruned to eliminate duplicates Z: 9 9.401 1.891 0.726 0.346 0.875 0.750 CA 1.375 9 residues pruned to eliminate duplicates Z: 6 4.192 1.495 0.095 0.468 1.000 0.400 O 1.183 Z: 12 11.956 1.795 0.639 0.617 1.000 0.545 CB 1.097 12 residues pruned to eliminate duplicates Z: 10 11.136 1.767 0.178 0.860 1.000 0.667 CB 1.311 10 residues pruned to eliminate duplicates Z: 11 8.448 1.630 0.564 0.522 0.900 0.500 CB 1.140 11 residues pruned to eliminate duplicates Z: 8 8.896 1.609 0.485 0.869 1.000 0.571 CB 1.028 8 residues pruned to eliminate duplicates Z: 7 6.788 1.832 0.248 0.826 1.000 0.833 CB 0.914 7 residues pruned to eliminate duplicates 6 1.497 1.296 0.022 0.462 0.600 0.600 O 0.876 ? Z: 13 6.221 1.559 0.651 0.252 0.833 0.333 CB 1.113 13 residues pruned to eliminate duplicates Z: 12 13.419 1.753 0.499 0.895 1.000 0.909 CA 1.104 12 residues pruned to eliminate duplicates Z: 11 12.907 1.763 0.443 0.836 0.900 0.600 CB 1.334 11 residues pruned to eliminate duplicates Z: 16 13.481 1.768 0.354 0.899 1.000 0.667 CB 1.040 16 residues pruned to eliminate duplicates Z: 6 4.556 1.615 0.330 0.503 0.800 0.600 CB 1.182 Z: 9 3.418 1.373 0.103 0.367 0.875 0.625 CB 1.052 Z: 10 10.240 1.585 0.737 0.891 0.889 0.778 CB 1.003 10 residues pruned to eliminate duplicates Z: 17 15.487 1.763 0.496 0.699 0.938 0.812 CB 1.306 17 residues pruned to eliminate duplicates Z: 11 18.071 1.923 0.801 0.812 1.000 0.700 CB 1.258 9 residues pruned to eliminate duplicates Z: 15 13.489 1.795 0.312 0.901 1.000 0.857 CA 1.093 15 residues pruned to eliminate duplicates Z: 32 19.917 1.927 0.549 0.528 0.839 0.677 CB 1.391 32 residues pruned to eliminate duplicates Z: 34 21.490 1.841 0.569 0.599 0.939 0.424 CB 1.254 38 residues pruned to eliminate duplicates Z: 8 2.894 1.404 0.067 0.446 0.857 0.714 CB 0.900 Z: 24 20.226 1.956 0.359 0.894 0.913 0.826 CB 1.247 24 residues pruned to eliminate duplicates Z: 17 18.492 1.984 0.547 0.807 0.938 0.562 CB 1.229 17 residues pruned to eliminate duplicates Z: 8 8.939 1.664 0.578 0.564 1.000 0.571 CB 1.209 8 residues pruned to eliminate duplicates Z: 10 13.228 1.888 0.523 0.471 1.000 0.556 N 1.580 10 residues pruned to eliminate duplicates Z: 12 5.644 1.405 0.310 0.489 1.000 0.545 CB 0.935 12 residues pruned to eliminate duplicates Z: 22 6.449 1.505 0.395 0.373 0.810 0.714 CB 0.948 22 residues pruned to eliminate duplicates Z: 19 15.375 1.799 0.913 0.557 0.944 0.556 CA 1.055 15 residues pruned to eliminate duplicates Z: 7 5.401 1.695 -0.308 0.763 1.000 0.833 C 1.488 Z: 8 5.403 1.817 -0.020 0.813 0.857 0.714 CB 1.019 8 residues pruned to eliminate duplicates Z: 23 24.877 1.894 1.078 0.837 0.864 0.409 CB 1.167 23 residues pruned to eliminate duplicates Z: 8 7.766 1.609 0.426 0.849 1.000 0.714 CA 0.948 8 residues pruned to eliminate duplicates Z: 19 13.078 1.864 0.617 0.532 0.889 0.667 CB 1.114 19 residues pruned to eliminate duplicates Z: 18 13.710 1.619 0.816 0.601 0.941 0.588 CB 1.091 18 residues pruned to eliminate duplicates Z: 15 17.991 1.814 0.721 0.879 0.929 0.643 CB 1.203 15 residues pruned to eliminate duplicates Z: 23 22.277 1.885 1.002 0.843 0.818 0.364 CB 1.145 23 residues pruned to eliminate duplicates Z: 9 7.869 1.502 0.270 0.850 1.000 1.000 CB 1.081 11 residues pruned to eliminate duplicates Z: 24 19.083 1.843 0.617 0.755 0.957 0.565 CB 1.112 24 residues pruned to eliminate duplicates Z: 10 6.084 1.635 0.511 0.678 1.000 0.889 CB 0.697 10 residues pruned to eliminate duplicates Z: 11 14.066 1.748 0.375 0.919 1.000 0.900 CB 1.304 12 residues pruned to eliminate duplicates Z: 13 11.930 1.767 0.794 0.692 0.833 0.500 CB 1.094 12 residues pruned to eliminate duplicates Z: 7 6.565 1.634 0.127 0.848 1.000 0.667 CB 1.079 7 residues pruned to eliminate duplicates Z: 7 9.023 1.649 0.831 0.802 1.000 0.667 CB 0.937 7 residues pruned to eliminate duplicates Z: 13 8.310 1.712 0.513 0.463 0.833 0.417 CB 1.154 14 residues pruned to eliminate duplicates Z: 15 16.712 1.875 0.467 0.869 1.000 0.786 CA 1.187 15 residues pruned to eliminate duplicates Z: 8 6.662 1.598 0.319 0.899 1.000 1.000 CB 0.854 8 residues pruned to eliminate duplicates Z: 8 14.743 1.738 0.967 0.831 1.000 0.714 CB 1.225 8 residues pruned to eliminate duplicates Z: 14 18.919 1.784 0.880 0.875 0.923 0.692 CB 1.232 14 residues pruned to eliminate duplicates Z: 19 5.121 1.562 0.485 0.258 0.889 0.611 CB 0.773 15 residues pruned to eliminate duplicates Z: 6 5.867 1.629 0.107 0.840 1.000 1.000 CB 1.086 6 residues pruned to eliminate duplicates Z: 8 4.338 1.633 0.175 0.447 1.000 0.714 CB 0.902 8 residues pruned to eliminate duplicates Z: 10 11.245 1.724 0.626 0.789 1.000 1.000 CA 1.037 10 residues pruned to eliminate duplicates Z: 10 2.361 1.576 0.206 0.199 0.778 0.444 CB 0.762 10 residues pruned to eliminate duplicates Z: 6 8.603 1.894 0.252 0.877 1.000 1.000 CA 1.179 6 residues pruned to eliminate duplicates Z: 12 9.229 1.750 0.511 0.811 0.818 0.727 CB 0.981 12 residues pruned to eliminate duplicates Z: 15 22.098 1.839 0.755 0.890 1.000 0.571 CB 1.317 16 residues pruned to eliminate duplicates Z: 6 6.560 1.738 0.397 0.654 0.800 0.400 CB 1.309 Z: 7 10.773 1.822 0.702 0.461 1.000 0.667 CB 1.475 6 residues pruned to eliminate duplicates Z: 9 10.136 1.761 0.286 0.911 1.000 0.875 CB 1.121 9 residues pruned to eliminate duplicates Z: 11 14.353 1.856 0.589 0.880 1.000 0.600 CA 1.115 11 residues pruned to eliminate duplicates Z: 10 14.603 1.641 0.840 0.857 1.000 0.667 CB 1.188 10 residues pruned to eliminate duplicates Z: 23 19.339 2.035 0.196 0.907 0.955 0.818 CB 1.261 23 residues pruned to eliminate duplicates Z: 9 5.912 1.453 0.308 0.741 1.000 0.500 CB 0.887 9 residues pruned to eliminate duplicates Z: 13 10.277 1.732 0.550 0.451 0.917 0.667 CB 1.268 13 residues pruned to eliminate duplicates Z: 8 6.131 1.623 0.096 0.861 1.000 0.714 CB 0.957 8 residues pruned to eliminate duplicates Z: 8 5.711 1.632 0.297 0.685 0.857 0.571 CA 1.004 8 residues pruned to eliminate duplicates Z: 10 3.404 1.334 0.278 0.525 0.778 0.556 CB 0.835 6 residues pruned to eliminate duplicates Z: 16 14.202 1.799 0.220 0.907 1.000 0.867 CB 1.188 16 residues pruned to eliminate duplicates Z: 7 8.568 1.633 0.882 0.893 1.000 0.833 CB 0.817 7 residues pruned to eliminate duplicates Z: 13 15.952 1.781 0.757 0.926 1.000 0.833 CB 1.032 13 residues pruned to eliminate duplicates 6 1.577 1.364 0.372 0.758 1.000 0.800 CB 0.300 ? Z: 8 9.556 1.838 0.540 0.649 0.857 0.714 CB 1.296 8 residues pruned to eliminate duplicates Z: 7 7.176 1.539 0.599 0.751 0.833 0.833 CB 1.142 7 residues pruned to eliminate duplicates Z: 22 19.996 1.908 0.885 0.632 0.952 0.619 CB 1.125 22 residues pruned to eliminate duplicates Z: 20 17.636 2.046 0.401 0.779 0.842 0.737 CB 1.311 20 residues pruned to eliminate duplicates Z: 6 12.038 1.806 0.580 0.878 1.000 0.800 CB 1.369 6 residues pruned to eliminate duplicates Z: 7 3.602 1.634 0.087 0.850 0.833 0.667 CA 0.736 7 residues pruned to eliminate duplicates Z: 16 22.741 2.001 0.724 0.929 1.000 1.000 CB 1.191 16 residues pruned to eliminate duplicates Z: 6 5.733 1.527 1.108 0.854 1.000 1.000 CB 0.588 5 residues pruned to eliminate duplicates Z: 20 28.607 1.982 1.000 0.930 0.947 0.789 CB 1.222 20 residues pruned to eliminate duplicates Z: 9 16.425 1.848 0.764 0.849 1.000 0.875 CA 1.321 9 residues pruned to eliminate duplicates Z: 10 4.381 1.430 0.519 0.455 0.778 0.333 CB 0.905 Z: 7 3.104 1.453 0.457 0.380 0.833 0.500 CB 0.816 Z: 6 2.025 1.328 -0.302 0.879 1.000 1.000 CB 0.709 Z: 12 11.370 1.751 0.835 0.727 0.818 0.364 CB 1.063 12 residues pruned to eliminate duplicates Z: 22 31.055 1.971 0.952 0.942 0.952 0.476 CB 1.282 21 residues pruned to eliminate duplicates Z: 12 10.733 1.717 0.330 0.721 0.909 0.727 CA 1.278 12 residues pruned to eliminate duplicates Z: 11 17.630 1.864 1.020 0.591 0.900 0.600 N 1.508 11 residues pruned to eliminate duplicates Z: 6 2.183 1.322 0.455 0.249 0.800 0.600 N 0.846 Z: 11 15.102 1.878 0.708 0.766 1.000 0.800 CB 1.176 11 residues pruned to eliminate duplicates Z: 15 12.988 1.856 0.411 0.895 0.857 0.786 CB 1.109 15 residues pruned to eliminate duplicates Z: 9 10.159 1.748 0.419 0.801 1.000 0.875 CA 1.113 9 residues pruned to eliminate duplicates Z: 6 6.314 1.680 0.784 0.618 0.800 0.800 CB 1.054 5 residues pruned to eliminate duplicates Z: 9 7.788 1.796 -0.040 0.888 1.000 0.750 CB 1.151 9 residues pruned to eliminate duplicates Z: 12 9.878 1.637 0.720 0.644 0.818 0.636 CB 1.130 12 residues pruned to eliminate duplicates Z: 19 10.298 1.724 0.733 0.613 0.722 0.389 CB 1.010 19 residues pruned to eliminate duplicates 514 residues left after pruning, divided into chains as follows: A: 13 B: 6 C: 12 D: 12 E: 21 F: 8 G: 35 H: 10 I: 10 J: 48 K: 16 L: 84 M: 13 N: 71 O: 11 P: 15 Q: 18 R: 16 S: 15 T: 8 U: 11 V: 22 W: 39 CC for partial structure against native data = 37.30 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.383, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.441, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.759 for dens.mod. cycle 3 = 0.300, Contrast = 0.536, Connect. = 0.761 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.763 for dens.mod. cycle 5 = 0.300, Contrast = 0.550, Connect. = 0.765 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.766 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.563, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.565, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2895 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 659 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 30.545 2.115 0.531 0.907 1.000 0.875 CA 1.368 B: 20 30.113 2.096 0.771 0.946 1.000 1.000 CA 1.287 C: 18 17.826 2.124 0.081 0.899 0.941 0.765 CA 1.429 18 residues pruned to eliminate duplicates D: 24 22.851 2.093 0.444 0.911 0.783 0.435 CB 1.428 E: 22 33.478 2.026 0.870 0.940 1.000 0.714 CB 1.339 20 residues pruned to eliminate duplicates F: 17 24.759 2.128 0.435 0.922 1.000 0.875 CA 1.426 17 residues pruned to eliminate duplicates G: 18 29.110 2.107 0.795 0.894 1.000 0.588 CB 1.339 18 residues pruned to eliminate duplicates H: 21 27.281 2.193 0.449 0.905 0.950 0.750 CA 1.438 25 residues pruned to eliminate duplicates I: 17 16.187 1.910 0.294 0.861 1.000 0.875 CB 1.203 J: 24 31.993 2.182 0.541 0.907 1.000 0.652 CB 1.410 20 residues pruned to eliminate duplicates K: 16 18.030 2.067 0.614 0.758 0.933 0.467 CB 1.189 L: 25 28.921 1.939 0.879 0.875 0.917 0.458 CA 1.286 25 residues pruned to eliminate duplicates M: 21 27.292 2.117 0.417 0.937 1.000 0.800 CB 1.415 N: 15 15.356 1.944 0.292 0.899 1.000 0.857 CB 1.167 15 residues pruned to eliminate duplicates O: 12 17.081 2.022 0.628 0.767 0.909 0.727 CA 1.359 P: 14 17.062 1.996 0.082 0.888 1.000 1.000 CB 1.578 Q: 9 12.398 2.104 0.470 0.758 0.875 0.500 CA 1.288 R: 10 15.851 1.931 0.281 0.842 1.000 0.889 CA 1.591 S: 14 22.517 2.033 0.837 0.929 0.923 0.692 CB 1.268 T: 17 21.879 1.965 0.638 0.898 1.000 0.812 CB 1.216 17 residues pruned to eliminate duplicates U: 14 25.355 2.036 0.784 0.912 1.000 0.385 CB 1.371 V: 25 29.005 2.092 0.392 0.927 1.000 0.792 CA 1.425 23 residues pruned to eliminate duplicates W: 22 24.586 1.999 0.596 0.906 0.952 0.714 CA 1.257 22 residues pruned to eliminate duplicates X: 11 17.638 2.124 0.509 0.935 1.000 1.000 CB 1.213 11 residues pruned to eliminate duplicates Y: 8 10.087 1.803 0.283 0.860 1.000 0.857 CB 1.212 Z: 10 14.556 1.899 0.285 0.799 1.000 0.444 CA 1.531 10 residues pruned to eliminate duplicates Z: 23 36.454 2.074 0.943 0.952 1.000 0.682 CB 1.328 21 residues pruned to eliminate duplicates Z: 22 25.741 1.997 0.665 0.899 0.952 0.810 CA 1.267 22 residues pruned to eliminate duplicates Z: 21 33.750 2.129 0.763 0.948 0.950 0.750 CB 1.462 21 residues pruned to eliminate duplicates Z: 14 27.319 2.197 0.611 0.921 1.000 0.769 CA 1.506 14 residues pruned to eliminate duplicates Z: 13 29.564 2.141 0.853 0.918 1.000 0.750 CB 1.517 14 residues pruned to eliminate duplicates Z: 17 21.098 1.908 0.402 0.909 1.000 0.750 CA 1.399 Z: 11 23.040 1.937 0.846 0.890 1.000 0.900 CA 1.466 Z: 21 33.699 2.140 0.618 0.939 1.000 0.900 CB 1.513 21 residues pruned to eliminate duplicates Z: 26 29.717 2.128 0.715 0.935 1.000 0.520 CB 1.134 27 residues pruned to eliminate duplicates Z: 25 29.068 2.139 0.487 0.904 0.958 0.792 CA 1.386 24 residues pruned to eliminate duplicates Z: 22 31.560 2.060 0.666 0.928 1.000 0.905 CB 1.405 22 residues pruned to eliminate duplicates Z: 15 21.466 1.941 0.661 0.877 1.000 0.786 CB 1.292 Z: 12 22.552 1.965 0.874 0.902 1.000 0.818 CA 1.317 Z: 15 24.123 2.014 0.699 0.920 0.929 0.643 CB 1.429 16 residues pruned to eliminate duplicates Z: 9 9.765 1.953 0.145 0.737 1.000 0.500 CA 1.248 9 residues pruned to eliminate duplicates Z: 22 28.721 2.150 0.486 0.923 0.952 0.857 CB 1.448 22 residues pruned to eliminate duplicates Z: 20 21.865 2.079 0.423 0.901 0.947 0.842 CA 1.277 20 residues pruned to eliminate duplicates Z: 21 25.499 2.144 0.556 0.919 0.850 0.500 CB 1.417 21 residues pruned to eliminate duplicates Z: 13 19.810 2.103 0.186 0.918 1.000 0.917 CB 1.617 14 residues pruned to eliminate duplicates Z: 16 26.154 1.970 0.764 0.898 1.000 0.733 CB 1.390 15 residues pruned to eliminate duplicates Z: 13 17.221 2.104 0.380 0.911 0.917 0.917 CA 1.324 14 residues pruned to eliminate duplicates Z: 15 19.339 2.015 0.580 0.854 0.929 0.714 CB 1.292 15 residues pruned to eliminate duplicates Z: 15 19.885 1.933 0.296 0.915 1.000 0.786 CA 1.500 13 residues pruned to eliminate duplicates Z: 13 20.518 2.066 0.529 0.897 1.000 0.833 CB 1.342 13 residues pruned to eliminate duplicates Z: 23 28.698 1.992 0.734 0.910 1.000 0.591 CA 1.256 23 residues pruned to eliminate duplicates Z: 11 22.521 1.895 0.897 0.920 1.000 0.900 CB 1.396 11 residues pruned to eliminate duplicates Z: 21 26.483 2.098 0.466 0.915 0.950 0.650 CB 1.432 21 residues pruned to eliminate duplicates Z: 13 22.768 2.051 1.105 0.862 0.917 0.667 CB 1.220 13 residues pruned to eliminate duplicates Z: 22 28.941 2.027 0.538 0.923 1.000 0.905 CA 1.424 22 residues pruned to eliminate duplicates Z: 21 32.004 2.082 0.608 0.911 1.000 0.750 CB 1.515 20 residues pruned to eliminate duplicates Z: 17 25.819 1.908 0.691 0.922 1.000 0.688 CB 1.407 17 residues pruned to eliminate duplicates Z: 17 20.835 1.963 0.601 0.869 1.000 0.688 CB 1.210 17 residues pruned to eliminate duplicates Z: 23 23.894 2.074 0.489 0.878 0.909 0.591 CB 1.316 23 residues pruned to eliminate duplicates Z: 16 25.979 2.114 0.498 0.860 1.000 0.800 CB 1.558 16 residues pruned to eliminate duplicates Z: 19 35.371 2.157 0.949 0.949 1.000 0.889 CA 1.368 19 residues pruned to eliminate duplicates Z: 10 26.679 2.044 1.066 0.920 1.000 0.889 CA 1.483 11 residues pruned to eliminate duplicates Z: 14 26.854 1.923 0.909 0.939 1.000 0.538 CA 1.410 13 residues pruned to eliminate duplicates Z: 14 25.203 2.000 0.628 0.911 1.000 0.846 CB 1.521 15 residues pruned to eliminate duplicates Z: 10 12.513 2.076 0.276 0.861 0.889 0.778 CB 1.302 10 residues pruned to eliminate duplicates Z: 23 37.923 2.095 0.877 0.948 1.000 0.773 CB 1.420 24 residues pruned to eliminate duplicates Z: 16 19.798 1.928 0.528 0.880 1.000 0.667 CB 1.257 16 residues pruned to eliminate duplicates Z: 22 35.621 2.178 0.817 0.929 1.000 0.667 CB 1.375 21 residues pruned to eliminate duplicates Z: 25 32.767 2.158 0.595 0.904 1.000 0.667 CB 1.384 25 residues pruned to eliminate duplicates Z: 23 30.157 1.987 0.565 0.940 1.000 0.955 CB 1.436 23 residues pruned to eliminate duplicates Z: 10 11.442 1.908 0.047 0.820 0.889 0.667 CB 1.627 Z: 12 19.189 2.106 0.857 0.871 0.818 0.364 CB 1.319 12 residues pruned to eliminate duplicates Z: 21 14.207 1.932 0.596 0.326 0.800 0.450 CA 1.560 15 residues pruned to eliminate duplicates Z: 26 32.593 2.095 0.629 0.913 1.000 0.840 CB 1.351 26 residues pruned to eliminate duplicates Z: 11 25.602 1.929 0.962 0.903 1.000 0.800 CB 1.525 11 residues pruned to eliminate duplicates Z: 26 31.178 2.107 0.434 0.937 1.000 0.800 CB 1.436 26 residues pruned to eliminate duplicates Z: 21 27.616 2.078 0.598 0.932 1.000 0.900 CB 1.299 21 residues pruned to eliminate duplicates Z: 14 8.728 1.833 0.304 0.450 0.769 0.615 CA 1.386 10 residues pruned to eliminate duplicates Z: 12 14.511 1.791 0.229 0.874 1.000 0.818 CA 1.446 10 residues pruned to eliminate duplicates Z: 24 22.037 2.159 0.553 0.501 0.826 0.522 CB 1.658 19 residues pruned to eliminate duplicates Z: 8 5.464 1.826 0.573 0.262 0.714 0.286 CA 1.321 8 residues pruned to eliminate duplicates Z: 25 25.773 2.125 0.535 0.567 0.875 0.542 CB 1.727 14 residues pruned to eliminate duplicates Z: 20 29.415 2.037 0.815 0.922 0.947 0.789 CB 1.355 20 residues pruned to eliminate duplicates Z: 13 17.232 2.088 0.386 0.887 1.000 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 13 17.660 1.979 0.293 0.886 0.917 0.750 CB 1.569 13 residues pruned to eliminate duplicates Z: 14 29.532 2.135 0.960 0.917 1.000 0.769 CB 1.382 15 residues pruned to eliminate duplicates Z: 17 22.096 2.247 0.403 0.627 0.938 0.625 CA 1.659 17 residues pruned to eliminate duplicates Z: 6 10.501 2.058 0.185 0.838 1.000 0.800 CB 1.440 6 residues pruned to eliminate duplicates Z: 7 11.901 1.855 0.709 0.681 0.833 0.833 CA 1.557 7 residues pruned to eliminate duplicates Z: 11 13.115 1.824 0.213 0.760 1.000 0.700 CB 1.487 10 residues pruned to eliminate duplicates Z: 21 38.663 2.149 0.840 0.942 1.000 0.800 CB 1.517 21 residues pruned to eliminate duplicates Z: 23 32.909 2.037 0.635 0.904 1.000 0.727 CB 1.500 23 residues pruned to eliminate duplicates Z: 13 22.006 2.061 0.704 0.924 1.000 0.750 CB 1.270 13 residues pruned to eliminate duplicates Z: 12 18.917 1.913 0.866 0.796 0.909 0.727 CA 1.356 Z: 11 18.799 1.911 0.737 0.841 1.000 0.600 CB 1.335 Z: 17 22.425 1.866 0.643 0.844 1.000 0.625 CA 1.361 17 residues pruned to eliminate duplicates Z: 19 28.523 2.097 0.708 0.906 1.000 0.722 CA 1.336 19 residues pruned to eliminate duplicates Z: 16 19.409 2.008 0.566 0.893 1.000 0.800 CB 1.143 16 residues pruned to eliminate duplicates Z: 24 30.040 2.181 0.601 0.893 0.957 0.565 CB 1.346 24 residues pruned to eliminate duplicates Z: 8 10.086 1.911 0.428 0.848 0.857 0.571 CA 1.209 Z: 13 24.072 2.063 0.816 0.926 1.000 0.917 CB 1.301 13 residues pruned to eliminate duplicates Z: 12 23.087 2.000 0.803 0.885 1.000 0.455 CA 1.394 12 residues pruned to eliminate duplicates Z: 6 7.384 2.029 0.468 0.493 1.000 0.800 CB 1.117 Z: 14 26.757 1.970 0.774 0.874 1.000 0.769 CB 1.545 14 residues pruned to eliminate duplicates Z: 15 19.738 1.964 0.861 0.750 0.929 0.714 CA 1.243 12 residues pruned to eliminate duplicates Z: 11 11.068 1.825 0.472 0.778 0.900 0.500 CB 1.132 11 residues pruned to eliminate duplicates Z: 14 23.665 2.095 0.681 0.921 0.923 0.846 CB 1.421 14 residues pruned to eliminate duplicates Z: 16 24.751 1.847 0.937 0.886 1.000 0.533 CB 1.289 16 residues pruned to eliminate duplicates Z: 25 31.756 2.170 0.733 0.914 0.917 0.583 CB 1.329 25 residues pruned to eliminate duplicates Z: 13 16.670 2.083 0.192 0.914 0.917 0.917 CA 1.495 13 residues pruned to eliminate duplicates Z: 24 28.588 2.144 0.393 0.901 1.000 0.913 CB 1.424 24 residues pruned to eliminate duplicates Z: 24 31.580 2.045 0.713 0.917 1.000 0.870 CA 1.327 24 residues pruned to eliminate duplicates Z: 13 24.023 1.992 0.774 0.910 1.000 0.833 CB 1.391 12 residues pruned to eliminate duplicates Z: 21 27.918 2.096 0.532 0.916 0.950 0.750 CB 1.445 21 residues pruned to eliminate duplicates Z: 9 9.583 2.054 0.063 0.746 1.000 0.625 CA 1.245 9 residues pruned to eliminate duplicates Z: 14 24.123 1.953 0.601 0.916 1.000 1.000 CA 1.511 15 residues pruned to eliminate duplicates Z: 13 25.504 1.954 1.053 0.862 1.000 0.417 CB 1.347 12 residues pruned to eliminate duplicates Z: 21 35.575 2.099 0.756 0.945 1.000 0.800 CB 1.494 21 residues pruned to eliminate duplicates Z: 40 29.179 2.040 0.395 0.694 0.949 0.692 CB 1.449 19 residues pruned to eliminate duplicates Z: 17 10.701 1.924 0.493 0.343 0.875 0.500 CB 1.263 17 residues pruned to eliminate duplicates Z: 13 23.447 1.984 0.802 0.875 1.000 0.667 CB 1.377 13 residues pruned to eliminate duplicates Z: 11 12.542 1.868 0.137 0.875 1.000 0.700 CB 1.358 11 residues pruned to eliminate duplicates Z: 12 22.184 2.062 0.707 0.853 1.000 0.455 CB 1.404 15 residues pruned to eliminate duplicates Z: 11 14.520 1.913 0.207 0.885 1.000 0.600 CB 1.436 11 residues pruned to eliminate duplicates Z: 11 17.823 1.888 0.738 0.866 0.900 0.500 CA 1.397 11 residues pruned to eliminate duplicates Z: 16 20.481 1.910 0.580 0.897 1.000 0.733 CB 1.255 16 residues pruned to eliminate duplicates Z: 9 10.880 1.945 0.068 0.870 0.875 0.625 CA 1.545 9 residues pruned to eliminate duplicates Z: 19 30.827 2.121 0.773 0.921 1.000 0.833 CB 1.359 19 residues pruned to eliminate duplicates Z: 8 11.652 2.250 0.155 0.831 0.857 0.714 CB 1.485 8 residues pruned to eliminate duplicates Z: 15 20.098 1.995 0.466 0.891 1.000 0.786 CB 1.320 15 residues pruned to eliminate duplicates Z: 26 25.238 2.087 0.358 0.891 0.960 0.800 CB 1.334 26 residues pruned to eliminate duplicates Z: 12 22.873 2.177 0.409 0.929 1.000 1.000 CA 1.572 12 residues pruned to eliminate duplicates Z: 17 17.984 1.892 0.373 0.865 1.000 0.812 CB 1.268 14 residues pruned to eliminate duplicates Z: 13 20.842 2.114 0.454 0.886 0.917 0.833 CB 1.541 13 residues pruned to eliminate duplicates Z: 8 12.559 2.221 0.139 0.830 1.000 0.429 CA 1.411 8 residues pruned to eliminate duplicates Z: 9 14.814 2.058 0.537 0.785 1.000 0.750 CA 1.288 9 residues pruned to eliminate duplicates Z: 25 31.231 2.158 0.452 0.916 1.000 0.833 CB 1.436 25 residues pruned to eliminate duplicates Z: 15 26.670 1.970 0.965 0.849 1.000 0.714 CB 1.365 14 residues pruned to eliminate duplicates Z: 8 8.547 1.888 0.372 0.422 1.000 0.857 CB 1.353 Z: 15 22.702 1.943 0.572 0.918 1.000 0.929 CB 1.401 15 residues pruned to eliminate duplicates Z: 12 15.633 1.927 0.412 0.870 0.909 0.636 CB 1.391 12 residues pruned to eliminate duplicates Z: 11 20.155 1.996 1.043 0.757 1.000 0.500 CA 1.244 Z: 26 20.580 2.083 0.452 0.505 0.880 0.480 CB 1.539 26 residues pruned to eliminate duplicates Z: 10 14.855 1.889 1.016 0.780 1.000 0.556 CA 1.016 10 residues pruned to eliminate duplicates Z: 12 11.929 2.081 0.006 0.902 1.000 0.909 CA 1.225 11 residues pruned to eliminate duplicates Z: 21 27.579 2.089 0.705 0.931 0.950 0.650 CB 1.273 21 residues pruned to eliminate duplicates Z: 15 22.775 1.957 0.618 0.921 1.000 0.929 CB 1.353 15 residues pruned to eliminate duplicates Z: 11 16.004 1.872 0.281 0.909 1.000 0.600 CB 1.497 12 residues pruned to eliminate duplicates Z: 23 26.037 2.050 0.492 0.910 0.955 0.864 CA 1.349 23 residues pruned to eliminate duplicates Z: 9 8.954 1.909 -0.057 0.889 1.000 0.750 CB 1.267 9 residues pruned to eliminate duplicates Z: 25 31.421 2.117 0.572 0.912 1.000 0.875 CA 1.364 25 residues pruned to eliminate duplicates Z: 16 21.479 1.936 0.481 0.891 1.000 0.867 CA 1.391 16 residues pruned to eliminate duplicates Z: 10 11.645 1.965 0.650 0.789 0.778 0.667 CB 1.194 9 residues pruned to eliminate duplicates Z: 13 25.486 1.974 0.898 0.909 1.000 0.750 CB 1.393 13 residues pruned to eliminate duplicates Z: 9 5.889 1.866 0.391 0.401 0.875 0.750 CB 1.018 8 residues pruned to eliminate duplicates Z: 21 26.669 1.983 0.539 0.916 1.000 0.650 CA 1.380 21 residues pruned to eliminate duplicates Z: 9 4.782 1.718 0.487 0.272 0.750 0.375 CA 1.143 7 residues pruned to eliminate duplicates Z: 21 6.880 1.662 0.453 0.388 0.750 0.350 CB 0.956 Z: 24 35.522 2.017 0.906 0.929 1.000 0.565 CB 1.348 24 residues pruned to eliminate duplicates Z: 11 13.884 1.822 0.305 0.839 1.000 0.900 CB 1.379 12 residues pruned to eliminate duplicates Z: 11 24.376 2.106 0.949 0.919 0.900 0.900 CA 1.470 11 residues pruned to eliminate duplicates Z: 19 12.107 1.743 0.269 0.631 1.000 0.833 CB 1.140 Z: 25 18.114 2.027 0.396 0.468 0.875 0.417 CB 1.543 13 residues pruned to eliminate duplicates Z: 10 7.083 1.902 -0.116 0.789 1.000 0.889 CA 1.090 10 residues pruned to eliminate duplicates Z: 11 15.852 1.890 0.451 0.838 0.900 0.700 CB 1.518 10 residues pruned to eliminate duplicates Z: 9 13.905 2.077 0.532 0.892 1.000 1.000 CA 1.110 10 residues pruned to eliminate duplicates Z: 17 22.852 2.037 0.557 0.870 1.000 0.625 CB 1.315 19 residues pruned to eliminate duplicates Z: 20 30.736 2.031 0.853 0.875 1.000 0.632 CA 1.363 20 residues pruned to eliminate duplicates Z: 15 26.742 2.112 0.694 0.940 1.000 0.929 CA 1.388 15 residues pruned to eliminate duplicates Z: 15 27.151 2.021 0.777 0.888 1.000 0.857 CA 1.455 16 residues pruned to eliminate duplicates Z: 26 32.865 2.109 0.513 0.941 1.000 0.840 CB 1.429 25 residues pruned to eliminate duplicates Z: 14 24.334 2.008 0.606 0.895 1.000 0.846 CB 1.500 14 residues pruned to eliminate duplicates Z: 20 15.230 1.926 0.534 0.530 0.895 0.579 CB 1.283 8 residues pruned to eliminate duplicates Z: 11 20.348 1.899 1.177 0.879 0.800 0.700 CA 1.411 11 residues pruned to eliminate duplicates Z: 13 19.201 2.037 0.510 0.928 1.000 0.917 CB 1.263 13 residues pruned to eliminate duplicates Z: 37 15.697 1.813 0.433 0.446 0.889 0.583 CB 1.198 37 residues pruned to eliminate duplicates Z: 22 22.669 1.989 0.555 0.925 1.000 0.952 CA 1.122 22 residues pruned to eliminate duplicates Z: 13 9.040 1.780 0.466 0.389 0.917 0.500 CB 1.228 Z: 8 8.504 1.618 0.415 0.838 1.000 0.857 CB 1.049 Z: 11 21.080 2.006 1.047 0.756 1.000 0.600 CB 1.293 11 residues pruned to eliminate duplicates Z: 12 28.492 2.101 1.088 0.929 1.000 0.545 CB 1.370 12 residues pruned to eliminate duplicates Z: 12 22.062 2.196 0.494 0.929 1.000 0.727 CB 1.419 13 residues pruned to eliminate duplicates Z: 11 11.772 1.995 0.311 0.931 1.000 0.900 CA 0.994 10 residues pruned to eliminate duplicates Z: 12 17.890 2.041 0.377 0.895 1.000 0.909 CA 1.376 12 residues pruned to eliminate duplicates Z: 11 16.447 1.878 0.283 0.910 1.000 0.700 CB 1.531 12 residues pruned to eliminate duplicates Z: 16 15.726 1.921 0.645 0.880 1.000 0.667 CB 0.931 16 residues pruned to eliminate duplicates Z: 16 24.603 1.948 0.660 0.923 1.000 0.733 CB 1.380 16 residues pruned to eliminate duplicates Z: 15 16.411 1.876 0.409 0.693 1.000 0.929 CA 1.391 Z: 24 33.810 2.194 0.700 0.921 0.957 0.652 CB 1.391 24 residues pruned to eliminate duplicates Z: 17 32.050 2.229 0.690 0.912 1.000 0.750 CB 1.506 17 residues pruned to eliminate duplicates Z: 11 13.267 1.788 0.357 0.845 0.900 0.700 CB 1.429 11 residues pruned to eliminate duplicates Z: 25 17.855 1.880 0.651 0.494 0.917 0.458 CA 1.288 20 residues pruned to eliminate duplicates Z: 12 10.581 1.814 0.590 0.845 0.818 0.636 CB 1.005 11 residues pruned to eliminate duplicates Z: 20 15.378 1.788 0.484 0.669 1.000 0.895 CB 1.137 19 residues pruned to eliminate duplicates Z: 25 32.751 2.094 0.663 0.903 0.958 0.667 CB 1.429 25 residues pruned to eliminate duplicates Z: 12 14.463 1.600 0.507 0.908 1.000 0.909 CA 1.285 10 residues pruned to eliminate duplicates Z: 6 6.331 1.873 0.460 0.679 0.600 0.400 CB 1.464 6 residues pruned to eliminate duplicates Z: 17 21.330 1.966 0.561 0.898 1.000 0.812 CB 1.243 17 residues pruned to eliminate duplicates Z: 22 32.646 2.066 0.677 0.930 0.952 0.762 CB 1.509 22 residues pruned to eliminate duplicates Z: 16 22.058 1.876 0.613 0.889 1.000 0.733 CB 1.355 16 residues pruned to eliminate duplicates Z: 9 12.060 1.855 0.471 0.920 1.000 1.000 CB 1.101 Z: 18 10.045 1.787 0.103 0.610 0.882 0.765 CB 1.261 8 residues pruned to eliminate duplicates Z: 17 25.999 1.880 0.881 0.900 0.938 0.688 CB 1.400 16 residues pruned to eliminate duplicates Z: 13 22.542 2.066 0.758 0.925 0.917 0.583 CB 1.372 14 residues pruned to eliminate duplicates Z: 10 20.977 2.084 0.834 0.898 1.000 0.556 CA 1.308 10 residues pruned to eliminate duplicates Z: 12 14.442 1.575 0.604 0.846 1.000 0.727 CB 1.280 12 residues pruned to eliminate duplicates Z: 9 7.932 1.489 0.300 0.885 1.000 1.000 CB 1.046 Z: 21 17.070 2.083 0.392 0.625 0.900 0.550 CB 1.300 20 residues pruned to eliminate duplicates Z: 11 14.359 1.832 0.558 0.844 1.000 0.700 CB 1.184 11 residues pruned to eliminate duplicates Z: 16 17.606 1.830 0.530 0.888 1.000 0.800 CA 1.170 16 residues pruned to eliminate duplicates Z: 19 27.597 2.075 0.700 0.923 1.000 0.500 CA 1.296 19 residues pruned to eliminate duplicates Z: 11 19.358 2.006 0.849 0.801 1.000 0.800 CA 1.268 11 residues pruned to eliminate duplicates Z: 44 27.680 1.980 0.398 0.751 0.977 0.674 CB 1.248 44 residues pruned to eliminate duplicates Z: 26 32.331 2.090 0.558 0.910 1.000 0.680 CB 1.409 25 residues pruned to eliminate duplicates Z: 24 21.533 2.050 0.618 0.529 0.783 0.565 CA 1.681 8 residues pruned to eliminate duplicates Z: 26 29.048 2.077 0.582 0.941 0.960 0.800 CB 1.278 26 residues pruned to eliminate duplicates Z: 13 23.875 2.086 0.820 0.913 0.917 0.750 CB 1.402 13 residues pruned to eliminate duplicates Z: 14 23.007 1.999 0.804 0.900 0.923 0.846 CB 1.369 14 residues pruned to eliminate duplicates Z: 12 23.865 2.016 0.866 0.907 1.000 0.909 CA 1.360 12 residues pruned to eliminate duplicates Z: 14 9.570 1.782 0.373 0.382 1.000 0.846 CB 1.230 13 residues pruned to eliminate duplicates Z: 8 13.306 2.159 0.212 0.774 1.000 0.714 CA 1.509 8 residues pruned to eliminate duplicates Z: 11 17.104 1.907 0.755 0.877 0.900 0.800 CA 1.304 11 residues pruned to eliminate duplicates Z: 12 19.389 1.890 0.943 0.863 0.909 0.727 CA 1.285 12 residues pruned to eliminate duplicates Z: 23 25.065 2.065 0.516 0.906 0.909 0.682 CB 1.335 23 residues pruned to eliminate duplicates Z: 8 11.771 1.883 0.591 0.824 1.000 0.714 CB 1.121 8 residues pruned to eliminate duplicates Z: 26 31.195 2.077 0.499 0.898 1.000 0.680 CA 1.434 26 residues pruned to eliminate duplicates Z: 11 14.825 1.768 0.781 0.738 1.000 0.600 CA 1.203 11 residues pruned to eliminate duplicates Z: 13 30.001 2.015 1.214 0.894 0.917 0.583 CB 1.519 13 residues pruned to eliminate duplicates Z: 8 16.275 1.917 0.793 0.873 1.000 1.000 CA 1.303 8 residues pruned to eliminate duplicates Z: 9 8.974 1.870 0.012 0.893 1.000 0.625 CB 1.204 9 residues pruned to eliminate duplicates Z: 19 14.627 1.699 0.365 0.646 1.000 0.722 CA 1.296 19 residues pruned to eliminate duplicates Z: 9 19.116 2.088 0.792 0.914 1.000 0.625 CB 1.278 9 residues pruned to eliminate duplicates Z: 12 16.852 1.809 0.641 0.861 0.909 0.818 CA 1.384 12 residues pruned to eliminate duplicates Z: 27 19.360 1.886 0.690 0.643 0.885 0.654 CB 1.178 22 residues pruned to eliminate duplicates Z: 16 23.181 1.901 0.627 0.901 1.000 0.533 CB 1.382 16 residues pruned to eliminate duplicates Z: 13 28.309 2.123 0.886 0.918 0.917 0.583 CA 1.571 13 residues pruned to eliminate duplicates Z: 16 22.736 1.854 0.782 0.896 1.000 0.667 CB 1.272 16 residues pruned to eliminate duplicates Z: 18 10.001 1.927 0.355 0.450 0.824 0.529 CB 1.188 12 residues pruned to eliminate duplicates Z: 14 9.011 1.731 0.098 0.611 0.846 0.538 CB 1.398 14 residues pruned to eliminate duplicates Z: 9 8.192 1.847 0.046 0.868 1.000 0.625 CB 1.096 9 residues pruned to eliminate duplicates Z: 21 27.524 2.163 0.460 0.893 1.000 0.700 CB 1.399 21 residues pruned to eliminate duplicates Z: 13 14.755 2.015 0.214 0.858 1.000 0.750 CB 1.282 13 residues pruned to eliminate duplicates Z: 6 5.252 1.916 0.119 0.491 1.000 0.800 CB 1.105 6 residues pruned to eliminate duplicates Z: 11 14.678 1.784 0.323 0.839 1.000 0.600 CB 1.468 10 residues pruned to eliminate duplicates Z: 12 25.277 2.077 0.727 0.922 1.000 0.818 CB 1.495 12 residues pruned to eliminate duplicates Z: 11 3.825 1.792 0.039 0.291 0.700 0.500 CB 1.173 Z: 11 19.543 2.134 0.460 0.917 1.000 0.700 CB 1.400 11 residues pruned to eliminate duplicates Z: 11 15.082 1.791 0.600 0.876 0.900 0.300 CB 1.343 11 residues pruned to eliminate duplicates Z: 11 18.149 1.900 0.648 0.903 1.000 0.700 CA 1.307 11 residues pruned to eliminate duplicates Z: 9 6.125 1.551 0.134 0.819 0.875 0.750 CB 1.067 9 residues pruned to eliminate duplicates Z: 14 17.424 1.977 0.382 0.871 1.000 0.692 CB 1.290 13 residues pruned to eliminate duplicates Z: 24 21.353 2.131 0.509 0.542 0.783 0.522 CB 1.698 24 residues pruned to eliminate duplicates Z: 31 19.055 1.898 0.317 0.545 0.967 0.700 CB 1.377 31 residues pruned to eliminate duplicates Z: 10 5.071 1.786 0.532 0.163 0.778 0.667 CA 1.198 10 residues pruned to eliminate duplicates Z: 8 11.493 1.757 0.439 0.869 1.000 0.857 CB 1.255 8 residues pruned to eliminate duplicates Z: 17 16.717 1.928 0.261 0.889 1.000 0.812 CB 1.238 17 residues pruned to eliminate duplicates 6 1.306 1.690 -0.305 0.500 0.800 0.400 CB 0.621 ? Z: 10 10.502 1.853 0.200 0.867 0.889 0.667 CB 1.295 10 residues pruned to eliminate duplicates Z: 11 15.956 1.694 0.594 0.908 1.000 0.600 CA 1.327 11 residues pruned to eliminate duplicates Z: 10 10.252 1.749 0.136 0.886 1.000 0.889 CB 1.241 9 residues pruned to eliminate duplicates Z: 13 20.347 1.999 0.570 0.842 0.917 0.583 CB 1.522 13 residues pruned to eliminate duplicates Z: 14 15.514 1.848 0.730 0.572 1.000 0.769 CA 1.256 14 residues pruned to eliminate duplicates Z: 10 11.964 1.874 0.220 0.838 0.889 0.667 CB 1.466 10 residues pruned to eliminate duplicates Z: 28 17.713 1.985 0.477 0.427 0.889 0.407 CA 1.411 28 residues pruned to eliminate duplicates Z: 14 23.396 2.073 0.673 0.915 1.000 0.923 CA 1.322 14 residues pruned to eliminate duplicates Z: 10 12.431 1.937 -0.043 0.892 1.000 0.889 CB 1.606 10 residues pruned to eliminate duplicates Z: 11 17.413 1.867 0.847 0.821 1.000 0.600 CB 1.209 11 residues pruned to eliminate duplicates Z: 10 19.529 1.904 0.901 0.824 0.889 0.889 CA 1.528 10 residues pruned to eliminate duplicates Z: 12 17.298 1.956 0.633 0.845 0.909 0.727 CB 1.335 12 residues pruned to eliminate duplicates Z: 12 21.958 1.971 0.759 0.879 1.000 0.909 CA 1.384 12 residues pruned to eliminate duplicates Z: 14 25.208 1.938 0.857 0.924 1.000 0.692 CB 1.364 14 residues pruned to eliminate duplicates Z: 14 18.808 1.960 0.739 0.731 0.846 0.692 CB 1.469 11 residues pruned to eliminate duplicates Z: 8 5.673 1.773 0.251 0.308 0.857 0.429 CB 1.396 Z: 12 14.000 1.621 0.451 0.855 1.000 0.818 CA 1.324 12 residues pruned to eliminate duplicates Z: 16 18.048 2.010 0.648 0.558 0.933 0.867 CA 1.425 16 residues pruned to eliminate duplicates Z: 14 9.553 1.863 0.582 0.332 0.769 0.385 CA 1.406 14 residues pruned to eliminate duplicates Z: 60 35.785 1.975 0.723 0.673 0.864 0.424 CB 1.349 57 residues pruned to eliminate duplicates Z: 9 8.642 1.711 0.397 0.847 0.875 0.625 CB 1.084 10 residues pruned to eliminate duplicates Z: 13 13.195 2.050 0.591 0.702 0.833 0.583 CB 1.166 13 residues pruned to eliminate duplicates Z: 8 7.755 1.844 0.089 0.856 1.000 0.857 CA 1.077 8 residues pruned to eliminate duplicates Z: 8 6.155 1.834 0.087 0.873 0.857 0.571 CB 0.991 8 residues pruned to eliminate duplicates Z: 6 3.271 1.662 0.518 0.466 0.600 0.600 CB 1.000 Z: 7 3.066 1.492 0.319 0.728 1.000 0.667 CB 0.518 7 residues pruned to eliminate duplicates Z: 9 5.638 1.825 0.346 0.414 0.625 0.500 CB 1.421 9 residues pruned to eliminate duplicates Z: 13 27.587 1.974 0.993 0.926 1.000 0.500 CB 1.420 13 residues pruned to eliminate duplicates Z: 10 14.607 1.830 0.369 0.848 1.000 0.778 CA 1.442 10 residues pruned to eliminate duplicates Z: 26 21.000 1.877 0.819 0.643 0.920 0.640 CB 1.170 33 residues pruned to eliminate duplicates Z: 11 16.957 1.900 0.317 0.922 1.000 0.900 CB 1.506 11 residues pruned to eliminate duplicates Z: 21 32.309 2.069 0.724 0.932 0.950 0.700 CB 1.489 21 residues pruned to eliminate duplicates Z: 17 24.520 2.165 0.536 0.913 0.938 0.750 CB 1.392 17 residues pruned to eliminate duplicates Z: 6 7.972 1.851 0.197 0.889 1.000 1.000 CB 1.159 6 residues pruned to eliminate duplicates Z: 12 31.126 2.106 1.144 0.933 1.000 1.000 CB 1.451 13 residues pruned to eliminate duplicates Z: 12 26.070 2.084 1.157 0.936 1.000 0.545 CB 1.218 12 residues pruned to eliminate duplicates Z: 15 8.538 1.815 0.205 0.498 1.000 0.786 CB 1.045 15 residues pruned to eliminate duplicates Z: 7 5.335 1.639 0.518 0.648 1.000 0.833 CB 0.763 Z: 26 28.584 2.091 0.511 0.910 0.960 0.800 CB 1.336 26 residues pruned to eliminate duplicates Z: 25 32.473 2.121 0.871 0.923 0.917 0.583 CB 1.280 25 residues pruned to eliminate duplicates Z: 9 3.656 1.392 0.664 0.368 0.750 0.500 CB 0.857 Z: 38 21.429 1.934 0.458 0.569 0.892 0.595 CB 1.310 39 residues pruned to eliminate duplicates Z: 8 6.207 1.651 0.354 0.788 0.714 0.714 CB 1.140 8 residues pruned to eliminate duplicates Z: 8 4.044 1.452 0.170 0.437 0.857 0.429 CB 1.120 Z: 11 14.910 1.695 0.443 0.866 1.000 0.800 CA 1.411 11 residues pruned to eliminate duplicates Z: 41 22.469 1.845 0.683 0.544 0.875 0.675 CB 1.252 44 residues pruned to eliminate duplicates Z: 12 16.008 1.784 0.314 0.870 1.000 0.727 N 1.503 11 residues pruned to eliminate duplicates Z: 12 22.717 2.108 0.734 0.898 1.000 0.818 CA 1.340 12 residues pruned to eliminate duplicates Z: 13 27.085 2.064 0.809 0.915 1.000 0.833 CB 1.480 13 residues pruned to eliminate duplicates Z: 9 11.042 1.845 0.314 0.902 1.000 0.875 CB 1.149 9 residues pruned to eliminate duplicates Z: 9 15.296 1.913 0.725 0.895 0.875 0.625 CB 1.343 9 residues pruned to eliminate duplicates Z: 13 21.393 2.084 0.752 0.902 0.917 0.583 CA 1.317 13 residues pruned to eliminate duplicates Z: 9 11.261 1.689 0.381 0.877 1.000 0.625 CB 1.240 9 residues pruned to eliminate duplicates Z: 7 7.822 1.774 0.006 0.850 1.000 0.833 CB 1.325 7 residues pruned to eliminate duplicates Z: 15 17.061 2.046 0.341 0.724 0.929 0.786 CA 1.462 15 residues pruned to eliminate duplicates Z: 19 18.413 1.812 0.567 0.877 1.000 0.611 CB 1.110 19 residues pruned to eliminate duplicates Z: 11 12.989 1.785 0.244 0.864 1.000 0.800 CA 1.356 11 residues pruned to eliminate duplicates Z: 13 20.030 1.840 0.739 0.869 1.000 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 12 23.000 2.097 0.760 0.898 1.000 0.364 CB 1.344 12 residues pruned to eliminate duplicates Z: 10 21.890 2.007 0.888 0.924 1.000 1.000 CA 1.352 13 residues pruned to eliminate duplicates Z: 14 8.674 1.774 0.366 0.364 0.923 0.615 CB 1.245 14 residues pruned to eliminate duplicates Z: 8 8.104 1.640 0.825 0.561 0.714 0.571 C 1.350 Z: 9 10.926 1.670 0.593 0.800 1.000 0.875 CB 1.118 8 residues pruned to eliminate duplicates Z: 45 31.066 1.868 0.698 0.737 0.955 0.614 CB 1.251 43 residues pruned to eliminate duplicates Z: 21 30.748 2.080 0.921 0.946 0.950 0.450 CB 1.253 21 residues pruned to eliminate duplicates Z: 25 25.984 2.070 0.488 0.885 1.000 0.667 CB 1.244 25 residues pruned to eliminate duplicates Z: 6 2.746 1.495 0.638 0.383 0.800 0.400 CB 0.709 Z: 20 29.273 2.030 1.131 0.911 0.947 0.316 CB 1.162 20 residues pruned to eliminate duplicates Z: 8 8.572 1.868 0.613 0.385 0.857 0.286 CB 1.417 8 residues pruned to eliminate duplicates Z: 10 11.124 1.712 0.559 0.918 1.000 0.444 CB 0.980 11 residues pruned to eliminate duplicates Z: 36 24.752 1.917 0.569 0.699 0.971 0.657 CB 1.194 35 residues pruned to eliminate duplicates Z: 16 23.112 2.050 0.688 0.634 1.000 0.533 CA 1.520 23 residues pruned to eliminate duplicates Z: 6 3.984 1.504 0.411 0.414 1.000 0.400 CB 0.918 Z: 19 23.557 2.014 0.432 0.932 1.000 0.667 CB 1.344 19 residues pruned to eliminate duplicates Z: 8 10.799 1.685 0.497 0.888 1.000 0.857 CB 1.166 8 residues pruned to eliminate duplicates Z: 12 15.746 2.070 0.593 0.887 0.909 0.636 CA 1.142 12 residues pruned to eliminate duplicates Z: 7 3.504 1.491 0.017 0.471 1.000 0.500 CB 0.972 Z: 9 5.184 1.855 0.042 0.431 1.000 0.500 CB 1.019 8 residues pruned to eliminate duplicates Z: 12 9.993 1.814 0.595 0.459 1.000 0.636 CB 1.086 14 residues pruned to eliminate duplicates Z: 8 6.839 1.860 0.145 0.806 0.857 0.857 CB 1.084 8 residues pruned to eliminate duplicates Z: 22 24.769 1.895 0.590 0.794 0.952 0.762 CB 1.456 22 residues pruned to eliminate duplicates Z: 7 4.358 1.455 0.450 0.409 0.833 0.500 C 1.113 Z: 22 20.718 1.922 0.961 0.613 0.905 0.619 CB 1.191 22 residues pruned to eliminate duplicates Z: 17 21.425 1.945 0.774 0.886 0.938 0.812 CB 1.195 17 residues pruned to eliminate duplicates Z: 14 8.720 1.659 0.407 0.445 1.000 0.769 CB 1.096 14 residues pruned to eliminate duplicates Z: 10 13.082 1.750 0.718 0.918 1.000 0.778 CB 1.023 10 residues pruned to eliminate duplicates Z: 18 22.147 2.179 0.310 0.638 1.000 0.765 CA 1.654 18 residues pruned to eliminate duplicates Z: 23 10.946 1.819 0.228 0.509 0.864 0.591 CB 1.200 23 residues pruned to eliminate duplicates Z: 22 28.551 2.114 0.592 0.897 0.905 0.714 CA 1.465 22 residues pruned to eliminate duplicates Z: 9 4.221 1.583 0.358 0.267 0.750 0.375 CA 1.207 9 residues pruned to eliminate duplicates Z: 6 4.284 1.661 0.539 0.441 0.800 0.800 CB 0.995 6 residues pruned to eliminate duplicates Z: 11 16.082 1.753 0.503 0.877 1.000 0.800 CA 1.401 11 residues pruned to eliminate duplicates Z: 22 35.102 2.033 0.814 0.916 1.000 0.762 CB 1.466 22 residues pruned to eliminate duplicates Z: 9 8.778 1.803 0.164 0.845 1.000 0.625 CB 1.099 9 residues pruned to eliminate duplicates Z: 8 10.418 1.689 0.436 0.843 1.000 0.714 CB 1.208 9 residues pruned to eliminate duplicates Z: 6 6.916 1.656 0.423 0.409 1.000 0.800 O 1.444 6 residues pruned to eliminate duplicates Z: 26 27.768 2.108 0.402 0.926 1.000 0.760 CB 1.317 26 residues pruned to eliminate duplicates Z: 10 7.827 1.729 0.103 0.918 1.000 0.778 CB 0.965 10 residues pruned to eliminate duplicates Z: 9 14.365 2.223 0.521 0.732 1.000 0.750 CB 1.219 9 residues pruned to eliminate duplicates Z: 6 3.614 1.785 0.018 0.299 1.000 0.800 CB 1.113 6 residues pruned to eliminate duplicates Z: 13 8.935 1.784 0.530 0.480 0.917 0.750 CB 1.052 14 residues pruned to eliminate duplicates Z: 10 7.465 1.673 0.054 0.905 1.000 0.667 CB 1.005 10 residues pruned to eliminate duplicates Z: 9 9.093 1.696 0.172 0.883 1.000 1.000 CA 1.170 9 residues pruned to eliminate duplicates Z: 10 17.736 1.804 0.685 0.895 1.000 0.556 CA 1.394 10 residues pruned to eliminate duplicates Z: 6 7.570 1.899 0.113 0.871 1.000 1.000 CB 1.168 6 residues pruned to eliminate duplicates Z: 14 16.593 1.797 0.621 0.899 0.923 0.846 CA 1.224 14 residues pruned to eliminate duplicates Z: 21 17.838 1.932 0.371 0.776 0.900 0.850 CB 1.312 21 residues pruned to eliminate duplicates Z: 25 33.355 2.100 0.676 0.906 1.000 0.792 CA 1.376 25 residues pruned to eliminate duplicates Z: 10 10.036 1.724 0.624 0.887 1.000 0.556 CB 0.862 10 residues pruned to eliminate duplicates Z: 25 29.778 2.111 0.630 0.920 0.875 0.750 CA 1.421 25 residues pruned to eliminate duplicates Z: 23 33.522 1.991 0.945 0.919 1.000 0.636 CB 1.300 23 residues pruned to eliminate duplicates Z: 12 11.711 1.596 0.479 0.855 0.909 0.727 CA 1.213 12 residues pruned to eliminate duplicates Z: 10 5.729 1.723 0.311 0.413 0.889 0.778 CB 1.042 10 residues pruned to eliminate duplicates Z: 28 19.834 1.882 0.662 0.623 0.926 0.630 CB 1.173 28 residues pruned to eliminate duplicates Z: 9 11.413 1.717 0.626 0.719 1.000 0.750 CB 1.185 9 residues pruned to eliminate duplicates Z: 9 8.280 1.862 0.003 0.862 1.000 0.750 CB 1.150 9 residues pruned to eliminate duplicates Z: 8 6.081 1.704 0.455 0.723 0.857 0.571 CA 0.884 8 residues pruned to eliminate duplicates Z: 20 23.480 1.849 0.861 0.892 0.947 0.579 CB 1.187 20 residues pruned to eliminate duplicates Z: 9 11.571 1.750 0.874 0.518 0.875 0.750 CB 1.400 10 residues pruned to eliminate duplicates Z: 10 10.724 1.753 0.398 0.903 1.000 0.667 CB 1.040 10 residues pruned to eliminate duplicates Z: 37 21.636 1.907 0.657 0.604 0.917 0.750 CB 1.128 36 residues pruned to eliminate duplicates Z: 24 24.270 1.646 0.796 0.835 1.000 0.522 CB 1.283 24 residues pruned to eliminate duplicates Z: 11 20.310 2.101 0.961 0.854 1.000 0.600 CB 1.151 11 residues pruned to eliminate duplicates Z: 9 8.862 1.663 0.551 0.589 1.000 0.500 CB 1.115 8 residues pruned to eliminate duplicates Z: 23 21.617 1.931 0.927 0.567 0.818 0.500 CA 1.418 18 residues pruned to eliminate duplicates Z: 26 25.319 2.042 0.611 0.911 0.880 0.480 CB 1.240 26 residues pruned to eliminate duplicates Z: 10 11.366 1.669 0.517 0.910 1.000 0.778 CB 1.061 10 residues pruned to eliminate duplicates Z: 9 7.390 1.738 0.217 0.480 1.000 0.625 CB 1.260 8 residues pruned to eliminate duplicates Z: 24 27.235 2.157 0.503 0.898 0.913 0.826 CB 1.373 24 residues pruned to eliminate duplicates Z: 10 10.152 1.904 0.371 0.609 0.889 0.556 CB 1.315 10 residues pruned to eliminate duplicates Z: 13 18.143 2.015 0.403 0.872 1.000 0.833 CA 1.350 13 residues pruned to eliminate duplicates Z: 10 10.340 1.566 0.348 0.864 1.000 0.778 CB 1.198 10 residues pruned to eliminate duplicates Z: 16 18.238 1.927 0.824 0.856 0.933 0.600 CB 1.059 16 residues pruned to eliminate duplicates Z: 25 27.223 2.123 0.450 0.910 0.917 0.750 CA 1.397 25 residues pruned to eliminate duplicates Z: 33 23.710 1.922 0.547 0.556 0.938 0.688 CB 1.424 33 residues pruned to eliminate duplicates Z: 6 3.047 1.527 0.180 0.297 0.800 0.600 CA 1.186 Z: 27 28.006 2.060 0.527 0.931 0.962 0.615 CB 1.269 27 residues pruned to eliminate duplicates Z: 19 16.529 2.037 0.270 0.902 0.944 0.833 CA 1.138 19 residues pruned to eliminate duplicates Z: 8 4.072 1.514 0.502 0.325 0.714 0.571 CB 1.148 8 residues pruned to eliminate duplicates Z: 7 6.940 1.997 0.207 0.826 0.833 0.500 CB 1.064 7 residues pruned to eliminate duplicates Z: 8 3.513 1.442 0.128 0.734 0.714 0.571 CB 0.926 8 residues pruned to eliminate duplicates Z: 9 10.977 1.938 0.550 0.384 1.000 0.875 CB 1.462 9 residues pruned to eliminate duplicates Z: 17 18.034 1.917 0.563 0.826 0.938 0.812 CA 1.211 17 residues pruned to eliminate duplicates Z: 10 4.244 1.502 -0.162 0.882 1.000 0.778 CB 0.813 10 residues pruned to eliminate duplicates Z: 26 29.425 2.135 0.595 0.937 0.920 0.800 CB 1.308 26 residues pruned to eliminate duplicates Z: 13 20.031 1.954 0.716 0.870 1.000 0.583 CB 1.260 13 residues pruned to eliminate duplicates Z: 9 13.734 2.109 0.447 0.521 1.000 0.375 CA 1.558 9 residues pruned to eliminate duplicates Z: 18 6.875 1.685 0.223 0.298 0.941 0.588 CB 1.077 18 residues pruned to eliminate duplicates Z: 8 7.559 1.710 0.399 0.687 1.000 1.000 CA 1.006 7 residues pruned to eliminate duplicates Z: 17 22.041 1.959 0.637 0.887 1.000 0.875 CB 1.239 17 residues pruned to eliminate duplicates Z: 8 2.899 1.659 -0.345 0.473 0.857 0.714 O 1.208 6 residues pruned to eliminate duplicates Z: 24 24.176 2.078 0.560 0.655 0.913 0.696 CA 1.475 24 residues pruned to eliminate duplicates Z: 19 15.942 1.983 0.578 0.514 0.944 0.722 CA 1.254 19 residues pruned to eliminate duplicates Z: 15 19.244 1.895 0.597 0.913 1.000 0.929 CA 1.203 15 residues pruned to eliminate duplicates Z: 13 16.109 2.097 0.265 0.895 0.917 0.833 CA 1.371 13 residues pruned to eliminate duplicates Z: 29 27.876 2.021 0.604 0.843 0.964 0.500 CB 1.255 29 residues pruned to eliminate duplicates Z: 101 38.829 1.931 0.471 0.614 0.920 0.510 CB 1.334 150 residues pruned to eliminate duplicates Z: 8 4.606 1.685 -0.116 0.680 0.714 0.714 CA 1.386 8 residues pruned to eliminate duplicates Z: 7 4.862 1.578 0.504 0.468 0.667 0.500 N 1.297 7 residues pruned to eliminate duplicates Z: 15 10.417 1.659 0.336 0.718 1.000 1.000 CB 1.032 15 residues pruned to eliminate duplicates Z: 6 9.303 1.826 0.464 0.859 1.000 0.800 CB 1.145 Z: 9 7.335 1.567 0.271 0.609 1.000 0.875 CA 1.174 8 residues pruned to eliminate duplicates 9 1.909 1.534 -0.191 0.265 0.875 0.625 CB 0.813 ? Z: 10 16.342 1.893 0.491 0.832 1.000 0.778 CB 1.449 11 residues pruned to eliminate duplicates Z: 10 6.260 1.591 0.734 0.421 0.667 0.556 N 1.231 10 residues pruned to eliminate duplicates Z: 7 3.490 1.515 0.076 0.530 1.000 0.833 CB 0.849 7 residues pruned to eliminate duplicates Z: 21 9.085 1.746 0.214 0.478 0.800 0.400 CB 1.225 Z: 6 7.241 1.999 0.217 0.853 0.800 0.400 CB 1.230 6 residues pruned to eliminate duplicates Z: 10 10.454 1.715 0.475 0.874 1.000 0.778 CB 1.003 10 residues pruned to eliminate duplicates Z: 7 3.805 1.368 0.370 0.377 1.000 0.333 CB 0.945 Z: 8 7.461 1.670 0.294 0.885 0.857 0.714 CB 1.099 8 residues pruned to eliminate duplicates Z: 6 2.115 1.048 0.589 0.341 0.800 0.400 C 0.844 Z: 8 2.806 1.449 0.023 0.213 0.857 0.429 O 1.171 Z: 10 9.423 1.730 0.149 0.884 1.000 0.889 CB 1.142 10 residues pruned to eliminate duplicates Z: 6 2.349 1.158 0.645 0.341 0.800 0.400 CA 0.820 Z: 9 3.640 1.762 0.148 0.232 0.625 0.375 CB 1.390 9 residues pruned to eliminate duplicates Z: 12 6.968 1.484 0.799 0.579 0.818 0.545 CA 0.891 12 residues pruned to eliminate duplicates Z: 6 10.906 1.996 0.641 0.840 0.800 0.600 CB 1.389 6 residues pruned to eliminate duplicates Z: 7 3.028 1.367 0.000 0.662 0.833 0.500 C 0.935 Z: 20 15.199 1.768 0.406 0.721 1.000 0.947 CB 1.149 20 residues pruned to eliminate duplicates Z: 9 12.615 1.776 0.708 0.832 0.875 0.750 CA 1.262 9 residues pruned to eliminate duplicates Z: 19 8.614 1.757 0.298 0.475 0.833 0.611 CB 1.095 19 residues pruned to eliminate duplicates Z: 14 16.457 1.988 0.712 0.814 0.923 0.692 CB 1.106 14 residues pruned to eliminate duplicates Z: 7 9.565 1.850 0.636 0.733 1.000 1.000 CB 1.046 7 residues pruned to eliminate duplicates Z: 15 13.292 1.822 0.552 0.584 1.000 0.786 CB 1.159 15 residues pruned to eliminate duplicates Z: 6 7.412 1.874 0.408 0.585 1.000 0.600 CB 1.158 6 residues pruned to eliminate duplicates Z: 18 21.983 2.162 0.192 0.916 1.000 0.882 CB 1.462 18 residues pruned to eliminate duplicates Z: 26 23.918 2.088 0.496 0.555 0.920 0.480 CA 1.578 26 residues pruned to eliminate duplicates Z: 9 10.613 1.833 0.258 0.889 1.000 0.875 CB 1.172 9 residues pruned to eliminate duplicates Z: 23 17.647 1.801 0.717 0.679 0.955 0.545 CB 1.080 23 residues pruned to eliminate duplicates Z: 11 5.958 1.754 -0.319 0.876 1.000 0.900 CB 1.147 11 residues pruned to eliminate duplicates Z: 12 5.015 1.503 0.278 0.293 0.909 0.455 CB 1.093 8 residues pruned to eliminate duplicates Z: 25 13.947 1.750 0.266 0.581 0.958 0.625 CB 1.241 11 residues pruned to eliminate duplicates Z: 10 14.641 1.849 0.611 0.927 1.000 0.556 CB 1.148 21 residues pruned to eliminate duplicates Z: 19 18.688 2.020 0.337 0.763 1.000 0.667 CA 1.292 19 residues pruned to eliminate duplicates Z: 25 22.447 1.988 0.782 0.678 0.917 0.542 CB 1.198 25 residues pruned to eliminate duplicates Z: 9 5.677 1.904 0.572 0.241 0.750 0.375 CA 1.207 9 residues pruned to eliminate duplicates Z: 25 33.459 2.142 0.805 0.931 0.917 0.417 CB 1.347 6 residues pruned to eliminate duplicates Z: 17 17.200 1.781 0.443 0.885 0.938 0.812 CB 1.289 17 residues pruned to eliminate duplicates Z: 10 11.636 1.826 0.551 0.708 0.889 0.667 CA 1.276 10 residues pruned to eliminate duplicates Z: 17 16.122 1.896 0.480 0.883 1.000 0.812 CB 1.039 17 residues pruned to eliminate duplicates Z: 12 14.504 1.977 0.262 0.913 1.000 0.909 CA 1.240 12 residues pruned to eliminate duplicates Z: 12 17.642 1.932 0.545 0.857 1.000 0.818 CA 1.313 12 residues pruned to eliminate duplicates Z: 6 3.870 1.421 0.825 0.407 0.800 0.400 N 0.920 Z: 38 19.662 1.832 0.498 0.704 0.838 0.568 CB 1.168 38 residues pruned to eliminate duplicates Z: 7 4.483 1.713 0.376 0.479 0.833 0.667 N 0.951 Z: 13 12.652 1.883 0.546 0.775 0.833 0.667 CB 1.181 13 residues pruned to eliminate duplicates Z: 10 24.446 1.872 1.013 0.910 1.000 0.333 CA 1.534 9 residues pruned to eliminate duplicates Z: 6 5.898 1.564 0.589 0.664 0.800 0.400 N 1.139 Z: 10 5.565 1.646 0.294 0.295 1.000 0.667 CB 1.096 11 residues pruned to eliminate duplicates Z: 8 6.708 1.547 0.394 0.895 1.000 0.857 CA 0.843 8 residues pruned to eliminate duplicates Z: 7 9.586 1.572 1.313 0.655 0.833 0.500 CA 1.118 7 residues pruned to eliminate duplicates Z: 7 5.090 1.617 0.332 0.262 1.000 0.500 N 1.266 Z: 9 8.840 1.944 0.258 0.387 1.000 0.750 CB 1.440 9 residues pruned to eliminate duplicates Z: 9 9.967 1.818 0.264 0.879 1.000 0.875 CB 1.112 9 residues pruned to eliminate duplicates Z: 31 21.519 1.894 0.459 0.655 0.967 0.567 CB 1.274 31 residues pruned to eliminate duplicates Z: 25 27.917 1.972 0.668 0.792 0.917 0.792 CA 1.463 25 residues pruned to eliminate duplicates Z: 19 14.673 1.728 0.538 0.567 0.944 0.722 CA 1.291 19 residues pruned to eliminate duplicates Z: 18 37.103 2.188 0.916 0.823 1.000 0.824 CA 1.623 17 residues pruned to eliminate duplicates Z: 29 18.251 1.948 0.480 0.532 0.857 0.643 CB 1.353 29 residues pruned to eliminate duplicates Z: 19 35.731 2.094 1.016 0.947 0.944 0.667 CB 1.459 19 residues pruned to eliminate duplicates Z: 16 9.816 1.719 0.392 0.546 1.000 0.733 CB 1.013 16 residues pruned to eliminate duplicates Z: 6 3.860 1.700 0.023 0.805 1.000 0.800 CB 0.761 6 residues pruned to eliminate duplicates Z: 8 17.470 2.023 0.953 0.803 1.000 0.571 CB 1.283 8 residues pruned to eliminate duplicates Z: 14 14.460 1.893 0.789 0.878 0.923 0.692 CA 0.931 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 20.220 2.078 0.619 0.852 1.000 0.833 CB 1.283 13 residues pruned to eliminate duplicates Z: 12 26.293 2.194 0.834 0.920 1.000 0.818 CB 1.387 12 residues pruned to eliminate duplicates Z: 13 22.332 2.082 0.820 0.869 0.917 0.750 CB 1.356 13 residues pruned to eliminate duplicates Z: 25 25.621 1.996 0.744 0.756 0.917 0.792 CB 1.305 22 residues pruned to eliminate duplicates Z: 13 25.834 2.100 0.757 0.879 1.000 0.583 CB 1.466 13 residues pruned to eliminate duplicates Z: 12 26.260 2.191 1.017 0.908 0.909 0.818 CB 1.400 12 residues pruned to eliminate duplicates Z: 15 20.925 1.959 0.828 0.778 1.000 0.643 CB 1.222 15 residues pruned to eliminate duplicates Z: 26 24.706 1.986 0.814 0.715 0.880 0.680 CB 1.283 26 residues pruned to eliminate duplicates Z: 14 22.145 2.031 0.750 0.820 0.923 0.615 CB 1.418 14 residues pruned to eliminate duplicates Z: 13 24.067 2.087 0.900 0.912 0.917 0.667 CB 1.353 13 residues pruned to eliminate duplicates Z: 14 24.278 2.052 0.769 0.904 0.923 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 10 5.576 2.001 0.433 0.230 0.889 0.667 CB 1.000 10 residues pruned to eliminate duplicates Z: 11 5.220 1.912 0.441 0.216 0.800 0.500 CB 1.046 11 residues pruned to eliminate duplicates Z: 11 4.755 1.921 0.241 0.206 0.800 0.500 CB 1.117 11 residues pruned to eliminate duplicates Z: 9 6.350 2.109 0.385 0.224 0.875 0.625 CB 1.213 9 residues pruned to eliminate duplicates Z: 25 12.960 1.687 0.394 0.525 0.917 0.667 CB 1.197 23 residues pruned to eliminate duplicates Z: 12 16.574 1.906 0.503 0.730 0.909 0.545 CB 1.560 12 residues pruned to eliminate duplicates Z: 18 11.424 1.684 0.598 0.517 0.824 0.412 CB 1.229 18 residues pruned to eliminate duplicates Z: 12 12.623 1.856 0.415 0.648 0.909 0.545 CB 1.390 12 residues pruned to eliminate duplicates Z: 15 11.257 1.738 0.436 0.568 0.929 0.500 CB 1.216 15 residues pruned to eliminate duplicates Z: 13 17.929 1.868 0.725 0.652 1.000 0.583 CB 1.394 13 residues pruned to eliminate duplicates Z: 10 14.810 1.925 0.237 0.823 1.000 0.556 CA 1.566 10 residues pruned to eliminate duplicates Z: 12 14.994 1.901 0.396 0.713 1.000 0.636 CB 1.404 12 residues pruned to eliminate duplicates Z: 14 12.937 1.796 0.375 0.627 1.000 1.000 CB 1.289 14 residues pruned to eliminate duplicates Z: 11 17.936 1.935 0.521 0.708 1.000 0.700 CB 1.595 11 residues pruned to eliminate duplicates Z: 12 22.903 2.046 0.693 0.908 1.000 1.000 CA 1.416 12 residues pruned to eliminate duplicates Z: 14 18.854 1.952 0.573 0.819 0.923 0.769 CA 1.399 14 residues pruned to eliminate duplicates Z: 13 25.341 1.916 0.981 0.807 1.000 0.583 CA 1.475 13 residues pruned to eliminate duplicates Z: 14 19.205 1.939 0.694 0.805 0.923 0.615 CA 1.346 14 residues pruned to eliminate duplicates Z: 14 22.251 1.921 0.919 0.807 1.000 0.385 CB 1.281 14 residues pruned to eliminate duplicates Z: 12 22.369 2.019 0.656 0.875 1.000 0.818 CB 1.467 12 residues pruned to eliminate duplicates Z: 27 24.177 1.896 0.635 0.733 0.962 0.538 CB 1.290 27 residues pruned to eliminate duplicates Z: 26 24.567 1.916 0.525 0.737 0.960 0.720 CB 1.416 26 residues pruned to eliminate duplicates Z: 13 22.880 2.012 0.927 0.804 0.917 0.750 CB 1.425 13 residues pruned to eliminate duplicates Z: 15 18.955 1.888 0.549 0.845 1.000 0.500 CB 1.288 15 residues pruned to eliminate duplicates Z: 26 17.675 1.941 0.709 0.595 0.800 0.440 CB 1.217 26 residues pruned to eliminate duplicates Z: 22 12.682 1.959 0.383 0.466 0.810 0.381 CB 1.307 22 residues pruned to eliminate duplicates Z: 10 9.087 1.776 0.570 0.430 0.889 0.556 CA 1.314 10 residues pruned to eliminate duplicates Z: 25 19.040 1.929 0.600 0.552 0.917 0.417 CB 1.307 23 residues pruned to eliminate duplicates Z: 9 11.791 1.903 0.739 0.642 1.000 0.375 CB 1.103 9 residues pruned to eliminate duplicates Z: 22 18.498 2.036 0.500 0.576 0.857 0.571 CB 1.433 22 residues pruned to eliminate duplicates Z: 19 19.683 2.011 0.793 0.541 0.889 0.333 CB 1.390 19 residues pruned to eliminate duplicates Z: 24 17.190 1.932 0.658 0.476 0.913 0.217 CB 1.256 24 residues pruned to eliminate duplicates Z: 26 20.385 1.964 0.683 0.509 0.880 0.440 CB 1.389 25 residues pruned to eliminate duplicates Z: 9 11.267 1.813 0.554 0.783 1.000 0.500 CB 1.102 9 residues pruned to eliminate duplicates Z: 13 16.556 2.043 0.828 0.527 0.917 0.500 CA 1.360 13 residues pruned to eliminate duplicates Z: 17 20.322 2.106 0.796 0.533 0.938 0.500 CA 1.388 17 residues pruned to eliminate duplicates Z: 23 22.884 2.020 0.769 0.516 0.955 0.455 CB 1.408 23 residues pruned to eliminate duplicates Z: 17 18.050 2.119 0.710 0.507 0.875 0.688 CA 1.414 17 residues pruned to eliminate duplicates Z: 24 22.026 2.019 0.714 0.545 0.913 0.565 CB 1.391 24 residues pruned to eliminate duplicates Z: 12 14.171 2.125 0.520 0.553 0.909 0.727 CA 1.381 12 residues pruned to eliminate duplicates Z: 23 22.039 2.004 0.852 0.524 0.909 0.591 CA 1.360 25 residues pruned to eliminate duplicates Z: 7 8.060 1.745 0.222 0.883 1.000 0.833 CB 1.115 7 residues pruned to eliminate duplicates Z: 6 9.056 1.762 0.389 0.885 1.000 1.000 CB 1.195 6 residues pruned to eliminate duplicates Z: 9 6.107 1.636 0.386 0.630 1.000 0.875 CB 0.843 9 residues pruned to eliminate duplicates Z: 8 7.115 1.691 0.306 0.763 1.000 0.857 CB 0.964 8 residues pruned to eliminate duplicates Z: 9 5.641 1.632 0.373 0.648 1.000 0.750 CB 0.776 9 residues pruned to eliminate duplicates Z: 42 25.525 1.977 0.585 0.597 0.902 0.463 CB 1.285 42 residues pruned to eliminate duplicates Z: 10 9.392 1.744 0.715 0.570 1.000 0.667 CB 0.978 10 residues pruned to eliminate duplicates Z: 58 34.917 2.009 0.685 0.583 0.930 0.649 CB 1.356 69 residues pruned to eliminate duplicates Z: 6 11.791 1.887 1.400 0.872 1.000 0.600 CA 0.848 6 residues pruned to eliminate duplicates Z: 44 26.845 1.999 0.755 0.654 0.884 0.512 CB 1.144 44 residues pruned to eliminate duplicates Z: 44 28.874 1.979 0.764 0.603 0.907 0.605 CB 1.261 44 residues pruned to eliminate duplicates Z: 44 27.712 1.996 0.745 0.632 0.930 0.535 CB 1.152 44 residues pruned to eliminate duplicates Z: 12 8.799 1.769 0.708 0.518 1.000 0.727 CA 0.863 12 residues pruned to eliminate duplicates Z: 45 28.944 1.954 0.795 0.663 0.955 0.545 CB 1.120 45 residues pruned to eliminate duplicates Z: 35 26.962 2.032 0.706 0.604 0.971 0.618 CB 1.245 35 residues pruned to eliminate duplicates Z: 53 25.455 1.904 0.656 0.523 0.942 0.500 CB 1.162 53 residues pruned to eliminate duplicates Z: 33 31.159 2.082 0.819 0.708 0.969 0.656 CB 1.242 34 residues pruned to eliminate duplicates Z: 10 22.245 2.212 0.895 0.881 1.000 0.778 CB 1.280 10 residues pruned to eliminate duplicates Z: 33 29.660 2.084 0.835 0.684 0.906 0.719 CB 1.278 33 residues pruned to eliminate duplicates Z: 26 34.503 2.188 1.048 0.720 0.960 0.720 CB 1.315 26 residues pruned to eliminate duplicates Z: 45 28.992 1.977 0.761 0.633 0.932 0.477 CB 1.189 44 residues pruned to eliminate duplicates Z: 13 9.043 1.840 0.555 0.813 0.833 0.667 CB 0.834 13 residues pruned to eliminate duplicates Z: 41 27.167 1.980 0.685 0.713 0.950 0.525 CB 1.117 41 residues pruned to eliminate duplicates Z: 26 26.536 2.103 0.684 0.684 0.960 0.640 CB 1.318 26 residues pruned to eliminate duplicates Z: 44 28.112 2.005 0.705 0.626 0.907 0.558 CB 1.228 44 residues pruned to eliminate duplicates Z: 30 24.803 2.041 0.554 0.673 0.966 0.690 CA 1.283 30 residues pruned to eliminate duplicates Z: 14 17.121 2.130 0.523 0.604 1.000 0.615 CA 1.326 14 residues pruned to eliminate duplicates Z: 45 25.496 1.954 0.584 0.585 0.932 0.568 CB 1.228 45 residues pruned to eliminate duplicates Z: 14 17.543 2.012 0.560 0.733 1.000 0.769 CA 1.256 14 residues pruned to eliminate duplicates Z: 34 29.149 2.060 0.820 0.602 0.970 0.667 CB 1.267 34 residues pruned to eliminate duplicates Z: 23 23.660 2.161 0.484 0.657 0.955 0.773 CA 1.424 23 residues pruned to eliminate duplicates Z: 34 24.937 1.987 0.692 0.607 0.970 0.606 CA 1.203 34 residues pruned to eliminate duplicates Z: 34 23.612 2.039 0.626 0.578 0.909 0.515 CA 1.265 34 residues pruned to eliminate duplicates Z: 43 24.435 1.921 0.523 0.600 0.929 0.643 CA 1.262 43 residues pruned to eliminate duplicates Z: 34 26.634 2.020 0.607 0.690 0.970 0.667 CB 1.238 34 residues pruned to eliminate duplicates Z: 36 32.184 2.076 0.891 0.652 0.914 0.657 CB 1.315 36 residues pruned to eliminate duplicates Z: 26 28.639 2.144 0.795 0.708 0.920 0.640 CB 1.338 26 residues pruned to eliminate duplicates Z: 38 24.965 1.981 0.705 0.579 0.892 0.568 CB 1.263 38 residues pruned to eliminate duplicates Z: 38 27.423 1.997 0.838 0.632 0.892 0.568 CB 1.216 38 residues pruned to eliminate duplicates Z: 14 11.370 1.835 0.499 0.587 0.923 0.615 CB 1.142 11 residues pruned to eliminate duplicates Z: 11 15.441 1.917 0.587 0.782 1.000 0.700 CB 1.253 14 residues pruned to eliminate duplicates Z: 12 13.864 1.783 0.655 0.826 1.000 0.545 CB 1.068 12 residues pruned to eliminate duplicates Z: 10 17.057 1.963 0.752 0.785 1.000 0.444 CB 1.287 10 residues pruned to eliminate duplicates Z: 8 14.307 1.871 0.733 0.736 1.000 0.714 CA 1.348 8 residues pruned to eliminate duplicates Z: 11 14.340 1.859 0.630 0.649 1.000 0.400 CB 1.303 11 residues pruned to eliminate duplicates Z: 12 16.841 1.776 0.681 0.793 1.000 0.455 CA 1.316 12 residues pruned to eliminate duplicates Z: 9 16.739 1.984 0.874 0.775 0.875 0.250 CB 1.427 9 residues pruned to eliminate duplicates Z: 12 4.632 1.596 0.183 0.204 0.818 0.273 CB 1.284 12 residues pruned to eliminate duplicates Z: 6 4.358 1.384 0.495 0.463 1.000 0.600 CA 0.979 4 residues pruned to eliminate duplicates Z: 12 7.266 1.650 0.462 0.731 0.909 0.545 CB 0.812 12 residues pruned to eliminate duplicates Z: 11 8.567 1.736 0.576 0.737 0.900 0.700 CB 0.890 11 residues pruned to eliminate duplicates Z: 22 11.551 1.741 0.300 0.520 0.905 0.619 CB 1.207 22 residues pruned to eliminate duplicates Z: 10 8.837 1.761 0.302 0.880 0.889 0.778 CB 1.046 10 residues pruned to eliminate duplicates Z: 44 30.965 2.017 0.510 0.727 0.953 0.698 CB 1.326 45 residues pruned to eliminate duplicates Z: 10 11.296 1.685 0.366 0.890 1.000 0.778 CB 1.176 10 residues pruned to eliminate duplicates Z: 20 11.346 1.755 0.277 0.533 0.895 0.526 CB 1.256 20 residues pruned to eliminate duplicates Z: 47 26.275 1.953 0.340 0.684 0.957 0.565 CB 1.307 47 residues pruned to eliminate duplicates Z: 21 11.403 1.765 0.200 0.536 0.900 0.600 CB 1.291 21 residues pruned to eliminate duplicates Z: 48 27.669 1.922 0.438 0.706 0.957 0.596 CB 1.265 48 residues pruned to eliminate duplicates Z: 43 28.046 2.012 0.427 0.736 0.952 0.667 CB 1.281 43 residues pruned to eliminate duplicates Z: 46 26.681 1.945 0.477 0.700 0.933 0.622 CB 1.237 46 residues pruned to eliminate duplicates Z: 30 25.052 2.050 0.423 0.728 0.966 0.586 CB 1.345 30 residues pruned to eliminate duplicates Z: 43 32.593 2.031 0.490 0.732 0.976 0.619 CB 1.381 44 residues pruned to eliminate duplicates Z: 6 7.857 1.838 0.365 0.402 1.000 0.600 O 1.553 6 residues pruned to eliminate duplicates Z: 19 12.180 1.816 0.154 0.588 0.944 0.611 CB 1.333 19 residues pruned to eliminate duplicates Z: 15 10.230 1.782 0.334 0.511 0.857 0.714 CB 1.327 15 residues pruned to eliminate duplicates Z: 45 25.247 1.963 0.437 0.699 0.864 0.614 CB 1.303 45 residues pruned to eliminate duplicates Z: 47 25.319 1.948 0.480 0.679 0.913 0.674 CB 1.203 47 residues pruned to eliminate duplicates Z: 45 26.810 1.920 0.443 0.671 0.932 0.636 CB 1.336 45 residues pruned to eliminate duplicates Z: 65 40.411 2.044 0.491 0.733 0.969 0.609 CB 1.388 64 residues pruned to eliminate duplicates Z: 28 28.425 2.045 0.485 0.840 1.000 0.778 CB 1.345 28 residues pruned to eliminate duplicates Z: 46 25.014 1.950 0.322 0.673 0.911 0.644 CB 1.354 46 residues pruned to eliminate duplicates Z: 30 27.946 2.063 0.611 0.787 0.931 0.621 CB 1.303 30 residues pruned to eliminate duplicates Z: 25 31.929 2.194 0.624 0.918 0.958 0.750 CB 1.346 25 residues pruned to eliminate duplicates Z: 44 25.974 2.012 0.330 0.704 0.930 0.628 CB 1.322 44 residues pruned to eliminate duplicates Z: 33 27.917 1.954 0.540 0.722 0.969 0.688 CB 1.386 33 residues pruned to eliminate duplicates Z: 34 25.782 1.985 0.504 0.749 0.970 0.576 CB 1.241 34 residues pruned to eliminate duplicates Z: 43 32.823 1.999 0.539 0.716 0.976 0.429 CB 1.387 43 residues pruned to eliminate duplicates Z: 47 29.538 1.959 0.493 0.683 0.978 0.717 CB 1.286 47 residues pruned to eliminate duplicates Z: 48 28.163 1.919 0.516 0.684 0.894 0.638 CB 1.334 48 residues pruned to eliminate duplicates Z: 20 22.241 2.007 0.513 0.721 0.947 0.684 CA 1.453 20 residues pruned to eliminate duplicates Z: 48 39.269 2.024 0.745 0.784 0.957 0.638 CA 1.319 48 residues pruned to eliminate duplicates Z: 35 23.977 1.942 0.507 0.643 0.882 0.706 CB 1.393 35 residues pruned to eliminate duplicates Z: 19 25.374 2.036 0.777 0.747 1.000 0.667 CA 1.326 19 residues pruned to eliminate duplicates Z: 12 13.861 2.076 0.233 0.638 0.909 0.727 CA 1.578 12 residues pruned to eliminate duplicates Z: 34 30.119 1.970 0.644 0.742 0.939 0.727 CB 1.388 34 residues pruned to eliminate duplicates Z: 19 15.771 2.014 0.174 0.781 0.889 0.778 CB 1.381 19 residues pruned to eliminate duplicates Z: 44 31.468 1.993 0.497 0.722 0.953 0.721 CB 1.381 44 residues pruned to eliminate duplicates Z: 46 27.669 1.946 0.416 0.662 0.956 0.578 CB 1.348 46 residues pruned to eliminate duplicates Z: 11 18.157 2.251 0.193 0.904 1.000 1.000 CB 1.522 11 residues pruned to eliminate duplicates Z: 44 31.833 2.022 0.493 0.716 0.953 0.721 CB 1.387 44 residues pruned to eliminate duplicates Z: 38 26.858 2.000 0.506 0.681 0.919 0.649 CB 1.351 38 residues pruned to eliminate duplicates Z: 43 30.476 2.013 0.480 0.698 0.952 0.643 CB 1.383 43 residues pruned to eliminate duplicates Z: 27 29.212 2.146 0.611 0.801 0.923 0.692 CB 1.380 27 residues pruned to eliminate duplicates Z: 26 14.335 1.738 0.587 0.480 0.880 0.760 CB 1.205 31 residues pruned to eliminate duplicates Z: 6 4.845 1.642 0.348 0.391 1.000 0.800 CA 1.099 6 residues pruned to eliminate duplicates Z: 18 14.804 1.766 0.446 0.613 0.941 0.765 CA 1.342 18 residues pruned to eliminate duplicates Z: 23 16.175 1.683 0.522 0.540 0.909 0.727 CA 1.424 25 residues pruned to eliminate duplicates Z: 12 15.524 1.807 0.543 0.732 1.000 0.545 CB 1.363 11 residues pruned to eliminate duplicates Z: 10 15.246 1.752 0.430 0.902 1.000 0.778 CB 1.446 10 residues pruned to eliminate duplicates Z: 11 12.729 1.686 0.383 0.834 1.000 0.900 CA 1.294 11 residues pruned to eliminate duplicates Z: 18 17.467 1.779 0.645 0.639 1.000 0.941 CA 1.272 18 residues pruned to eliminate duplicates Z: 11 16.231 1.727 0.624 0.860 1.000 0.800 CA 1.345 12 residues pruned to eliminate duplicates Z: 12 12.202 1.603 0.679 0.828 0.818 0.182 CB 1.258 12 residues pruned to eliminate duplicates Z: 29 17.538 1.761 0.639 0.539 0.857 0.643 CB 1.290 52 residues pruned to eliminate duplicates Z: 19 15.265 1.740 0.622 0.560 0.944 0.778 CA 1.273 Z: 21 24.020 1.978 0.553 0.889 0.950 0.800 CA 1.325 21 residues pruned to eliminate duplicates Z: 21 29.202 2.147 0.693 0.804 0.950 0.750 CB 1.451 21 residues pruned to eliminate duplicates Z: 21 29.611 2.139 0.738 0.833 0.950 0.700 CA 1.407 21 residues pruned to eliminate duplicates Z: 21 29.905 2.147 0.733 0.824 0.950 0.700 CA 1.429 21 residues pruned to eliminate duplicates Z: 25 32.328 2.079 1.039 0.731 0.958 0.667 CB 1.319 25 residues pruned to eliminate duplicates Z: 21 32.185 2.140 0.627 0.839 1.000 0.600 CB 1.543 21 residues pruned to eliminate duplicates Z: 47 33.895 2.029 0.795 0.667 0.870 0.543 CB 1.352 47 residues pruned to eliminate duplicates Z: 17 28.140 2.259 0.730 0.803 0.875 0.562 CA 1.579 17 residues pruned to eliminate duplicates Z: 22 36.106 2.119 0.975 0.817 0.952 0.524 CB 1.500 22 residues pruned to eliminate duplicates Z: 22 29.326 2.080 0.846 0.833 0.857 0.571 CB 1.459 22 residues pruned to eliminate duplicates Z: 46 35.669 2.031 0.716 0.663 0.956 0.600 CB 1.372 46 residues pruned to eliminate duplicates Z: 21 37.337 2.158 1.007 0.851 1.000 0.700 CB 1.427 21 residues pruned to eliminate duplicates Z: 22 35.676 2.123 1.054 0.807 0.952 0.619 CB 1.435 22 residues pruned to eliminate duplicates Z: 24 30.416 1.995 0.979 0.781 0.957 0.261 CB 1.310 24 residues pruned to eliminate duplicates Z: 22 35.069 2.100 1.046 0.809 0.952 0.286 CB 1.429 22 residues pruned to eliminate duplicates Z: 21 32.766 2.115 1.025 0.802 0.950 0.250 CB 1.384 21 residues pruned to eliminate duplicates Z: 19 35.151 2.147 1.108 0.898 0.944 0.167 CB 1.386 19 residues pruned to eliminate duplicates Z: 90 39.567 1.995 0.572 0.679 0.865 0.528 CB 1.310 90 residues pruned to eliminate duplicates Z: 44 34.114 2.085 0.800 0.672 0.884 0.419 CB 1.338 44 residues pruned to eliminate duplicates Z: 23 16.307 2.035 0.497 0.571 0.773 0.500 CB 1.379 23 residues pruned to eliminate duplicates Z: 10 6.383 1.971 0.217 0.554 0.778 0.556 CB 1.082 10 residues pruned to eliminate duplicates Z: 39 26.664 1.996 0.754 0.610 0.868 0.500 CB 1.282 39 residues pruned to eliminate duplicates Z: 30 18.489 1.933 0.587 0.590 0.862 0.655 CB 1.191 30 residues pruned to eliminate duplicates Z: 10 12.300 2.073 0.756 0.480 0.889 0.444 CB 1.293 10 residues pruned to eliminate duplicates Z: 47 35.834 2.050 0.926 0.724 0.891 0.543 CB 1.227 47 residues pruned to eliminate duplicates Z: 11 11.927 2.066 0.491 0.540 0.900 0.500 CB 1.308 11 residues pruned to eliminate duplicates Z: 13 10.082 1.979 0.483 0.478 0.917 0.500 CB 1.106 13 residues pruned to eliminate duplicates Z: 19 15.853 2.009 0.555 0.515 1.000 0.611 CB 1.178 19 residues pruned to eliminate duplicates Z: 22 22.389 2.071 0.708 0.633 0.905 0.571 CB 1.347 22 residues pruned to eliminate duplicates Z: 11 15.215 2.112 0.663 0.569 1.000 0.700 CB 1.281 11 residues pruned to eliminate duplicates Z: 73 36.125 2.004 0.665 0.623 0.847 0.556 CB 1.340 73 residues pruned to eliminate duplicates Z: 48 26.503 2.037 0.450 0.615 0.915 0.617 CB 1.283 48 residues pruned to eliminate duplicates Z: 22 21.382 2.068 0.785 0.593 0.857 0.619 CB 1.349 22 residues pruned to eliminate duplicates Z: 21 25.010 2.118 0.796 0.660 0.900 0.700 CB 1.408 21 residues pruned to eliminate duplicates Z: 23 17.895 2.069 0.625 0.576 0.909 0.500 CB 1.160 23 residues pruned to eliminate duplicates Z: 23 20.555 2.081 0.711 0.579 0.909 0.545 CB 1.255 23 residues pruned to eliminate duplicates Z: 22 20.286 2.101 0.704 0.604 0.810 0.476 CB 1.383 22 residues pruned to eliminate duplicates Z: 58 29.833 1.953 0.467 0.698 0.895 0.614 CB 1.286 58 residues pruned to eliminate duplicates Z: 10 20.926 2.185 0.791 0.787 1.000 0.222 CB 1.385 10 residues pruned to eliminate duplicates Z: 29 26.690 2.129 0.698 0.583 0.857 0.679 CA 1.503 29 residues pruned to eliminate duplicates Z: 37 29.705 2.127 0.552 0.641 0.889 0.694 CB 1.479 37 residues pruned to eliminate duplicates Z: 34 23.066 2.162 0.373 0.621 0.879 0.636 CB 1.374 34 residues pruned to eliminate duplicates Z: 36 18.583 1.959 0.266 0.613 0.886 0.486 CB 1.285 36 residues pruned to eliminate duplicates Z: 65 30.404 1.989 0.366 0.638 0.922 0.547 CB 1.334 65 residues pruned to eliminate duplicates Z: 49 26.164 2.008 0.458 0.625 0.875 0.625 CB 1.311 49 residues pruned to eliminate duplicates Z: 39 28.471 2.097 0.501 0.631 0.921 0.763 CB 1.408 39 residues pruned to eliminate duplicates Z: 18 18.101 2.066 0.424 0.640 0.882 0.824 CB 1.484 18 residues pruned to eliminate duplicates Z: 68 32.184 2.002 0.484 0.667 0.881 0.642 CB 1.288 65 residues pruned to eliminate duplicates Z: 11 19.756 2.208 0.262 0.926 1.000 0.800 CB 1.573 11 residues pruned to eliminate duplicates Z: 49 29.460 1.983 0.543 0.660 0.917 0.729 CB 1.307 49 residues pruned to eliminate duplicates Z: 55 33.778 1.996 0.479 0.719 0.963 0.685 CB 1.326 55 residues pruned to eliminate duplicates Z: 14 23.417 2.055 0.488 0.925 1.000 0.615 CA 1.491 14 residues pruned to eliminate duplicates Z: 12 22.061 2.172 0.652 0.813 0.909 0.636 CB 1.553 12 residues pruned to eliminate duplicates Z: 16 20.646 2.124 0.559 0.678 0.867 0.733 CB 1.577 16 residues pruned to eliminate duplicates Z: 33 21.802 1.989 0.584 0.570 0.875 0.656 CB 1.307 33 residues pruned to eliminate duplicates Z: 46 32.583 2.035 0.622 0.691 0.933 0.756 CB 1.325 46 residues pruned to eliminate duplicates Z: 65 34.024 1.982 0.589 0.664 0.922 0.531 CB 1.259 65 residues pruned to eliminate duplicates Z: 30 21.256 1.904 0.527 0.712 0.897 0.517 CB 1.249 31 residues pruned to eliminate duplicates Z: 9 12.392 1.702 0.684 0.851 1.000 0.625 CB 1.132 9 residues pruned to eliminate duplicates Z: 44 28.397 1.969 0.646 0.679 0.907 0.605 CB 1.249 44 residues pruned to eliminate duplicates Z: 34 21.151 1.871 0.805 0.589 0.848 0.636 CB 1.180 34 residues pruned to eliminate duplicates Z: 44 24.625 1.891 0.591 0.642 0.884 0.581 CB 1.236 44 residues pruned to eliminate duplicates Z: 42 28.290 1.998 0.658 0.590 0.927 0.659 CB 1.320 42 residues pruned to eliminate duplicates Z: 24 15.228 1.892 0.492 0.632 0.870 0.522 CB 1.143 24 residues pruned to eliminate duplicates Z: 46 31.796 1.972 0.750 0.682 0.933 0.622 CB 1.245 45 residues pruned to eliminate duplicates Z: 10 10.604 1.736 0.877 0.666 1.000 0.667 CB 0.930 10 residues pruned to eliminate duplicates Z: 27 22.979 1.949 0.862 0.617 0.923 0.346 CB 1.204 27 residues pruned to eliminate duplicates Z: 10 5.083 1.683 0.472 0.298 0.889 0.333 CB 0.965 10 residues pruned to eliminate duplicates Z: 14 6.092 1.752 0.417 0.282 0.769 0.385 CB 1.131 14 residues pruned to eliminate duplicates Z: 25 19.202 1.842 0.575 0.660 0.917 0.542 CB 1.270 25 residues pruned to eliminate duplicates Z: 17 23.185 1.850 0.792 0.878 0.938 0.625 CB 1.353 17 residues pruned to eliminate duplicates Z: 24 18.227 1.898 0.537 0.620 0.870 0.565 CB 1.338 24 residues pruned to eliminate duplicates Z: 47 34.167 1.927 0.731 0.753 0.978 0.739 CB 1.232 44 residues pruned to eliminate duplicates Z: 16 25.311 1.977 0.719 0.929 1.000 1.000 CB 1.345 16 residues pruned to eliminate duplicates Z: 35 30.323 1.915 0.721 0.782 0.971 0.676 CB 1.268 35 residues pruned to eliminate duplicates Z: 26 17.816 1.860 0.511 0.600 0.920 0.560 CB 1.253 26 residues pruned to eliminate duplicates Z: 46 27.253 1.937 0.680 0.638 0.844 0.578 CB 1.298 46 residues pruned to eliminate duplicates Z: 23 19.637 1.923 0.526 0.663 0.909 0.636 CB 1.349 23 residues pruned to eliminate duplicates Z: 18 26.155 1.926 0.882 0.814 1.000 0.765 CA 1.331 18 residues pruned to eliminate duplicates Z: 42 29.201 2.000 0.743 0.693 0.878 0.488 CB 1.250 42 residues pruned to eliminate duplicates Z: 46 34.542 1.944 0.890 0.688 0.933 0.556 CB 1.265 46 residues pruned to eliminate duplicates Z: 26 17.964 1.836 0.618 0.626 0.880 0.520 CB 1.221 26 residues pruned to eliminate duplicates Z: 20 20.339 1.886 0.929 0.724 0.842 0.474 CB 1.244 20 residues pruned to eliminate duplicates Z: 14 15.511 1.859 0.669 0.709 0.846 0.692 CA 1.355 14 residues pruned to eliminate duplicates Z: 24 32.129 2.097 0.934 0.765 0.957 0.826 CB 1.365 24 residues pruned to eliminate duplicates Z: 14 22.108 1.952 0.820 0.784 0.923 0.692 CB 1.457 14 residues pruned to eliminate duplicates Z: 18 17.992 1.917 0.575 0.590 0.941 0.706 CB 1.410 18 residues pruned to eliminate duplicates Z: 14 21.251 1.962 0.761 0.712 1.000 0.769 CB 1.407 14 residues pruned to eliminate duplicates Z: 14 16.395 1.906 0.662 0.705 0.846 0.615 CB 1.407 14 residues pruned to eliminate duplicates Z: 25 22.646 1.859 0.953 0.666 0.875 0.583 CB 1.247 25 residues pruned to eliminate duplicates Z: 27 32.719 2.011 0.866 0.781 0.962 0.538 CB 1.388 27 residues pruned to eliminate duplicates Z: 10 22.211 1.867 1.039 0.867 1.000 0.333 CB 1.423 10 residues pruned to eliminate duplicates Z: 11 20.458 1.878 1.253 0.882 0.900 0.400 CB 1.229 11 residues pruned to eliminate duplicates Z: 27 21.924 2.082 0.539 0.563 0.769 0.423 CA 1.641 27 residues pruned to eliminate duplicates Z: 26 24.692 2.150 0.436 0.590 0.880 0.440 CA 1.668 26 residues pruned to eliminate duplicates Z: 26 25.151 2.142 0.542 0.574 0.920 0.600 CB 1.542 26 residues pruned to eliminate duplicates Z: 27 20.634 2.077 0.420 0.434 0.846 0.423 CB 1.736 27 residues pruned to eliminate duplicates Z: 30 24.426 2.030 0.612 0.499 0.862 0.517 CB 1.609 30 residues pruned to eliminate duplicates Z: 23 24.832 2.185 0.471 0.524 0.955 0.409 CB 1.685 23 residues pruned to eliminate duplicates Z: 31 18.899 1.990 0.450 0.406 0.867 0.400 CA 1.524 58 residues pruned to eliminate duplicates Z: 11 17.750 1.992 0.676 0.595 1.000 0.600 CA 1.535 Z: 10 11.702 2.038 0.194 0.600 1.000 0.444 CA 1.458 10 residues pruned to eliminate duplicates Z: 21 21.721 2.170 0.602 0.486 0.900 0.450 CA 1.575 22 residues pruned to eliminate duplicates Z: 9 12.850 2.146 0.430 0.795 0.875 0.625 CA 1.307 Z: 10 11.201 1.980 0.501 0.751 0.889 0.556 CA 1.129 9 residues pruned to eliminate duplicates Z: 8 11.230 2.160 0.541 0.717 0.714 0.286 CA 1.467 Z: 8 12.533 2.201 0.359 0.737 0.857 0.714 CA 1.493 Z: 10 9.054 2.140 0.232 0.595 0.778 0.556 CA 1.345 Z: 10 15.095 2.312 0.316 0.588 1.000 0.667 CA 1.519 10 residues pruned to eliminate duplicates Z: 6 3.943 1.860 0.168 0.298 0.800 0.400 C 1.272 Z: 6 3.747 1.817 0.148 0.142 1.000 0.400 CA 1.251 Z: 7 2.953 1.541 1.053 0.346 0.833 0.500 CA 0.541 Z: 6 2.109 1.486 0.258 0.200 0.800 0.400 CA 0.901 6 residues pruned to eliminate duplicates Z: 36 20.788 1.986 0.429 0.459 0.857 0.514 CB 1.507 121 residues pruned to eliminate duplicates Z: 11 8.301 1.807 0.137 0.606 1.000 0.600 CB 1.156 11 residues pruned to eliminate duplicates Z: 47 35.062 2.025 0.554 0.706 0.978 0.696 CB 1.393 47 residues pruned to eliminate duplicates Z: 47 34.383 2.038 0.522 0.720 0.957 0.674 CB 1.401 47 residues pruned to eliminate duplicates Z: 47 32.028 2.031 0.479 0.695 0.978 0.609 CB 1.345 47 residues pruned to eliminate duplicates Z: 47 31.984 2.023 0.552 0.683 0.935 0.609 CB 1.358 47 residues pruned to eliminate duplicates Z: 8 8.654 2.039 0.076 0.727 0.857 0.286 CB 1.417 8 residues pruned to eliminate duplicates Z: 46 32.789 2.039 0.473 0.699 0.978 0.600 CB 1.388 46 residues pruned to eliminate duplicates Z: 48 31.483 2.012 0.480 0.697 0.936 0.660 CB 1.377 48 residues pruned to eliminate duplicates Z: 21 14.711 1.923 0.315 0.549 0.900 0.500 CB 1.378 21 residues pruned to eliminate duplicates Z: 23 15.045 1.864 0.343 0.542 0.955 0.455 CB 1.288 23 residues pruned to eliminate duplicates Z: 70 41.050 2.096 0.501 0.625 0.913 0.580 CB 1.530 94 residues pruned to eliminate duplicates Z: 6 5.116 1.786 0.608 0.189 0.800 0.200 CB 1.446 6 residues pruned to eliminate duplicates Z: 67 42.092 2.079 0.646 0.630 0.939 0.561 CB 1.426 71 residues pruned to eliminate duplicates Z: 13 13.226 1.980 0.597 0.717 0.833 0.500 CB 1.191 13 residues pruned to eliminate duplicates Z: 49 27.378 1.981 0.450 0.648 0.875 0.521 CB 1.370 49 residues pruned to eliminate duplicates Z: 40 24.653 1.972 0.397 0.628 0.923 0.615 CB 1.377 40 residues pruned to eliminate duplicates Z: 37 33.044 2.049 0.558 0.694 0.972 0.583 CB 1.486 37 residues pruned to eliminate duplicates Z: 46 30.466 2.044 0.429 0.662 0.978 0.533 CB 1.369 46 residues pruned to eliminate duplicates Z: 45 30.485 1.998 0.487 0.689 0.909 0.545 CA 1.431 45 residues pruned to eliminate duplicates Z: 35 34.202 2.063 0.661 0.718 0.941 0.559 CB 1.493 35 residues pruned to eliminate duplicates Z: 39 27.820 2.049 0.522 0.656 0.868 0.474 CB 1.440 39 residues pruned to eliminate duplicates Z: 44 34.590 2.089 0.488 0.712 0.953 0.628 CB 1.468 44 residues pruned to eliminate duplicates Z: 25 34.857 2.184 0.652 0.882 1.000 0.708 CB 1.427 25 residues pruned to eliminate duplicates Z: 43 32.856 2.048 0.620 0.719 0.905 0.643 CB 1.386 43 residues pruned to eliminate duplicates Z: 46 30.473 2.037 0.438 0.668 0.956 0.556 CB 1.389 46 residues pruned to eliminate duplicates Z: 47 27.857 1.980 0.484 0.636 0.913 0.478 CB 1.347 47 residues pruned to eliminate duplicates Z: 23 28.691 2.054 0.794 0.871 0.909 0.682 CA 1.331 Z: 25 35.706 2.118 0.688 0.926 1.000 0.625 CA 1.430 48 residues pruned to eliminate duplicates Z: 47 31.923 2.021 0.530 0.678 0.978 0.543 CB 1.321 47 residues pruned to eliminate duplicates Z: 46 38.088 2.054 0.707 0.693 0.956 0.578 CB 1.420 46 residues pruned to eliminate duplicates Z: 47 31.764 2.014 0.612 0.696 0.978 0.435 CB 1.233 47 residues pruned to eliminate duplicates Z: 12 18.835 2.193 0.394 0.923 1.000 0.364 CB 1.305 Z: 11 18.476 2.149 0.514 0.916 1.000 0.500 CB 1.268 10 residues pruned to eliminate duplicates Z: 14 27.036 2.219 0.698 0.913 0.923 0.462 CB 1.526 12 residues pruned to eliminate duplicates Z: 16 19.788 2.043 0.591 0.903 0.933 0.400 CB 1.200 16 residues pruned to eliminate duplicates Z: 11 18.038 2.235 0.540 0.934 0.900 0.600 CB 1.284 11 residues pruned to eliminate duplicates Z: 48 26.493 1.962 0.623 0.646 0.872 0.404 CB 1.214 63 residues pruned to eliminate duplicates Z: 26 27.494 1.918 0.611 0.762 1.000 0.720 CB 1.411 26 residues pruned to eliminate duplicates Z: 13 14.286 1.838 0.240 0.759 1.000 0.917 CB 1.437 13 residues pruned to eliminate duplicates Z: 14 12.265 1.789 0.224 0.680 0.923 0.769 CB 1.425 14 residues pruned to eliminate duplicates Z: 21 19.843 1.839 0.495 0.699 0.950 0.650 CB 1.417 21 residues pruned to eliminate duplicates Z: 13 15.844 1.877 0.449 0.742 0.917 0.750 CB 1.477 13 residues pruned to eliminate duplicates Z: 13 17.949 1.882 0.404 0.768 1.000 0.750 CA 1.546 14 residues pruned to eliminate duplicates Z: 10 18.435 2.025 0.324 0.906 1.000 0.889 CB 1.630 10 residues pruned to eliminate duplicates Z: 11 12.908 1.917 0.106 0.843 0.900 0.600 CB 1.593 11 residues pruned to eliminate duplicates Z: 23 24.812 1.873 0.647 0.789 0.909 0.727 CB 1.463 22 residues pruned to eliminate duplicates Z: 15 24.374 1.970 0.760 0.812 0.929 0.643 CB 1.542 15 residues pruned to eliminate duplicates Z: 15 25.632 1.975 0.934 0.847 0.929 0.714 CB 1.433 15 residues pruned to eliminate duplicates Z: 15 21.237 2.000 0.935 0.793 0.929 0.714 CB 1.221 15 residues pruned to eliminate duplicates Z: 33 23.609 1.810 0.636 0.624 0.906 0.719 CA 1.384 32 residues pruned to eliminate duplicates Z: 14 25.344 2.036 0.598 0.899 1.000 0.923 CB 1.545 14 residues pruned to eliminate duplicates Z: 14 19.817 1.952 0.638 0.825 0.923 0.692 CB 1.405 14 residues pruned to eliminate duplicates Z: 17 15.786 1.819 0.450 0.723 0.875 0.625 CB 1.398 17 residues pruned to eliminate duplicates Z: 15 21.613 2.007 0.568 0.834 1.000 0.857 CB 1.375 15 residues pruned to eliminate duplicates Z: 13 23.749 2.007 0.710 0.855 1.000 0.917 CB 1.474 17 residues pruned to eliminate duplicates Z: 14 27.478 1.979 0.825 0.918 1.000 1.000 CB 1.488 12 residues pruned to eliminate duplicates Z: 13 23.994 2.042 0.586 0.869 1.000 0.667 CB 1.563 13 residues pruned to eliminate duplicates Z: 19 19.867 1.784 0.614 0.741 0.944 0.556 CB 1.388 20 residues pruned to eliminate duplicates Z: 15 20.985 1.963 0.475 0.909 1.000 0.571 CB 1.375 15 residues pruned to eliminate duplicates Z: 7 7.177 1.882 0.471 0.431 1.000 0.667 CB 1.137 6 residues pruned to eliminate duplicates Z: 7 4.859 1.860 0.183 0.407 1.000 0.500 CB 0.994 7 residues pruned to eliminate duplicates Z: 7 7.899 1.911 0.497 0.495 1.000 0.500 CB 1.133 7 residues pruned to eliminate duplicates Z: 8 5.354 2.035 0.469 0.363 0.857 0.571 CB 0.915 9 residues pruned to eliminate duplicates Z: 7 2.134 1.733 -0.131 0.357 0.667 0.333 CB 1.012 7 residues pruned to eliminate duplicates Z: 18 13.270 1.930 0.688 0.553 0.824 0.412 CB 1.139 18 residues pruned to eliminate duplicates Z: 17 15.628 1.983 0.658 0.600 0.938 0.438 CB 1.152 17 residues pruned to eliminate duplicates Z: 17 16.401 2.007 0.691 0.643 0.875 0.562 CB 1.207 17 residues pruned to eliminate duplicates Z: 11 11.737 1.829 0.699 0.689 0.800 0.400 CB 1.256 11 residues pruned to eliminate duplicates Z: 18 15.526 1.962 0.772 0.563 0.882 0.529 CB 1.156 19 residues pruned to eliminate duplicates Z: 9 15.573 1.904 0.823 0.856 1.000 0.500 CA 1.170 9 residues pruned to eliminate duplicates Z: 18 17.413 1.909 0.675 0.583 1.000 0.529 CB 1.219 18 residues pruned to eliminate duplicates Z: 11 13.178 1.602 0.772 0.778 1.000 0.600 CB 1.149 11 residues pruned to eliminate duplicates Z: 11 16.616 1.989 0.819 0.712 0.900 0.700 CA 1.331 11 residues pruned to eliminate duplicates Z: 11 19.499 2.002 0.944 0.758 1.000 0.600 CA 1.260 11 residues pruned to eliminate duplicates Z: 14 10.363 1.764 0.519 0.366 1.000 0.615 CB 1.238 Z: 6 4.967 1.536 0.517 0.471 1.000 0.600 CA 0.982 6 residues pruned to eliminate duplicates Z: 6 4.728 1.536 0.674 0.380 0.800 0.800 O 1.168 6 residues pruned to eliminate duplicates Z: 13 9.952 1.833 0.553 0.410 0.833 0.750 CB 1.331 21 residues pruned to eliminate duplicates Z: 7 5.878 1.768 0.299 0.499 1.000 1.000 CB 1.047 7 residues pruned to eliminate duplicates Z: 13 10.580 1.841 0.458 0.403 1.000 0.583 CB 1.260 13 residues pruned to eliminate duplicates Z: 14 11.749 1.828 0.596 0.379 1.000 0.769 CB 1.271 14 residues pruned to eliminate duplicates Z: 7 5.517 1.490 0.389 0.570 1.000 0.500 CB 1.018 7 residues pruned to eliminate duplicates Z: 15 8.898 1.800 0.589 0.337 0.857 0.714 CB 1.159 15 residues pruned to eliminate duplicates Z: 20 8.553 1.660 0.380 0.359 0.895 0.579 CB 1.115 15 residues pruned to eliminate duplicates Z: 17 19.747 1.989 0.607 0.876 1.000 0.688 CB 1.123 17 residues pruned to eliminate duplicates Z: 18 18.450 1.879 0.734 0.763 1.000 0.706 CB 1.088 18 residues pruned to eliminate duplicates Z: 17 18.754 1.939 0.728 0.803 0.938 0.688 CB 1.145 17 residues pruned to eliminate duplicates Z: 15 20.175 2.034 0.546 0.902 0.929 0.571 CB 1.318 15 residues pruned to eliminate duplicates Z: 19 18.243 1.879 0.774 0.793 0.944 0.500 CB 1.056 19 residues pruned to eliminate duplicates Z: 18 16.567 1.899 0.713 0.749 0.882 0.647 CB 1.120 16 residues pruned to eliminate duplicates Z: 16 22.526 2.009 0.860 0.865 1.000 0.533 CB 1.141 16 residues pruned to eliminate duplicates Z: 17 20.383 2.026 0.685 0.804 0.938 0.438 CB 1.221 19 residues pruned to eliminate duplicates Z: 18 20.598 1.921 0.793 0.889 0.941 0.588 CB 1.110 18 residues pruned to eliminate duplicates Z: 16 21.434 2.069 0.686 0.859 0.933 0.600 CB 1.250 17 residues pruned to eliminate duplicates Z: 17 21.750 1.988 0.775 0.874 1.000 0.562 CB 1.121 17 residues pruned to eliminate duplicates Z: 20 20.315 1.894 0.847 0.764 0.947 0.684 CB 1.112 19 residues pruned to eliminate duplicates Z: 16 22.160 1.952 0.861 0.913 1.000 0.667 CB 1.115 16 residues pruned to eliminate duplicates Z: 8 10.764 2.010 0.686 0.345 0.857 0.571 CA 1.658 10 residues pruned to eliminate duplicates Z: 6 5.973 1.691 0.388 0.440 1.000 1.000 CA 1.212 6 residues pruned to eliminate duplicates Z: 8 5.191 1.983 0.600 0.151 0.714 0.429 CB 1.331 7 residues pruned to eliminate duplicates Z: 6 4.925 1.724 0.684 0.299 0.800 0.600 CA 1.186 6 residues pruned to eliminate duplicates Z: 8 5.495 2.024 0.821 0.191 0.714 0.571 CB 1.142 8 residues pruned to eliminate duplicates Z: 7 4.387 2.060 0.608 0.146 0.667 0.500 CB 1.256 7 residues pruned to eliminate duplicates Z: 13 11.278 1.734 0.342 0.639 1.000 0.750 CB 1.229 20 residues pruned to eliminate duplicates Z: 10 13.609 1.783 0.457 0.757 1.000 0.778 CB 1.389 13 residues pruned to eliminate duplicates Z: 9 14.659 1.785 0.645 0.857 1.000 0.875 CB 1.300 9 residues pruned to eliminate duplicates Z: 8 11.684 1.717 0.513 0.851 1.000 0.857 CB 1.259 8 residues pruned to eliminate duplicates Z: 11 7.423 1.617 0.283 0.562 1.000 0.700 CB 1.065 11 residues pruned to eliminate duplicates Z: 12 11.805 1.742 0.353 0.708 1.000 0.818 CB 1.250 12 residues pruned to eliminate duplicates Z: 15 10.530 1.546 0.509 0.538 1.000 0.571 CB 1.162 13 residues pruned to eliminate duplicates Z: 10 13.713 1.661 0.747 0.857 1.000 0.778 CB 1.161 10 residues pruned to eliminate duplicates 6 1.812 1.202 0.448 0.253 0.800 0.200 CB 0.773 ? Z: 22 32.086 2.122 0.620 0.902 1.000 0.810 CB 1.452 22 residues pruned to eliminate duplicates Z: 23 30.359 2.069 0.765 0.777 0.909 0.682 CA 1.527 23 residues pruned to eliminate duplicates Z: 22 34.049 2.107 0.932 0.819 0.905 0.762 CB 1.530 22 residues pruned to eliminate duplicates Z: 22 30.598 2.107 0.715 0.806 0.952 0.571 CB 1.486 22 residues pruned to eliminate duplicates Z: 25 30.179 2.018 0.872 0.755 0.917 0.500 CB 1.418 25 residues pruned to eliminate duplicates Z: 66 41.223 2.026 0.794 0.688 0.908 0.462 CB 1.305 90 residues pruned to eliminate duplicates Z: 23 31.108 2.054 0.757 0.927 0.955 0.500 CB 1.350 23 residues pruned to eliminate duplicates Z: 22 29.033 2.090 0.969 0.812 0.810 0.524 CB 1.450 22 residues pruned to eliminate duplicates Z: 21 35.903 2.098 1.034 0.947 0.950 0.600 CB 1.368 22 residues pruned to eliminate duplicates Z: 17 29.564 2.037 0.892 0.919 1.000 0.500 CB 1.351 17 residues pruned to eliminate duplicates Z: 24 30.541 2.019 1.041 0.745 0.913 0.435 CB 1.360 24 residues pruned to eliminate duplicates Z: 24 31.302 2.036 0.992 0.744 0.913 0.609 CB 1.416 24 residues pruned to eliminate duplicates Z: 25 27.754 1.993 1.036 0.747 0.833 0.292 CB 1.343 25 residues pruned to eliminate duplicates Z: 23 29.713 1.997 1.060 0.782 0.864 0.409 CB 1.391 23 residues pruned to eliminate duplicates Z: 22 36.654 2.103 1.000 0.911 1.000 0.286 CB 1.348 22 residues pruned to eliminate duplicates Z: 24 29.703 2.023 0.986 0.742 0.870 0.217 CB 1.428 24 residues pruned to eliminate duplicates Z: 23 35.679 2.054 1.037 0.871 0.955 0.364 CB 1.389 24 residues pruned to eliminate duplicates Z: 23 38.830 2.085 1.010 0.934 1.000 0.500 CB 1.377 21 residues pruned to eliminate duplicates Z: 22 24.160 1.851 0.848 0.927 0.952 0.381 CB 1.135 22 residues pruned to eliminate duplicates Z: 21 30.896 2.063 0.861 0.923 0.950 0.150 CB 1.332 21 residues pruned to eliminate duplicates Z: 6 6.595 1.835 0.385 0.642 0.800 0.600 CA 1.270 7 residues pruned to eliminate duplicates Z: 15 20.516 2.077 0.719 0.873 0.929 0.929 CB 1.205 15 residues pruned to eliminate duplicates Z: 9 3.986 1.826 0.583 0.264 0.750 0.000 CA 0.850 9 residues pruned to eliminate duplicates Z: 17 24.988 2.028 1.005 0.753 1.000 0.750 CB 1.226 17 residues pruned to eliminate duplicates Z: 36 25.325 1.910 0.702 0.711 0.943 0.743 CB 1.153 35 residues pruned to eliminate duplicates Z: 15 26.884 2.010 0.870 0.877 1.000 0.857 CA 1.388 15 residues pruned to eliminate duplicates Z: 36 26.080 1.930 0.604 0.710 0.971 0.771 CB 1.212 37 residues pruned to eliminate duplicates Z: 13 29.454 2.096 0.986 0.902 1.000 0.917 CB 1.457 13 residues pruned to eliminate duplicates Z: 36 26.858 1.936 0.757 0.682 0.971 0.714 CB 1.162 41 residues pruned to eliminate duplicates Z: 14 27.001 2.096 0.869 0.916 1.000 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 35 23.406 1.902 0.567 0.707 0.971 0.647 CB 1.150 35 residues pruned to eliminate duplicates Z: 39 23.565 1.927 0.568 0.689 0.921 0.579 CB 1.154 39 residues pruned to eliminate duplicates Z: 36 19.818 1.855 0.705 0.657 0.886 0.571 CB 1.033 36 residues pruned to eliminate duplicates Z: 35 19.270 1.867 0.631 0.648 0.882 0.500 CB 1.072 36 residues pruned to eliminate duplicates Z: 13 16.650 1.974 1.265 0.825 0.833 0.500 CB 0.973 13 residues pruned to eliminate duplicates Z: 36 22.328 1.898 0.593 0.634 0.971 0.629 CB 1.133 36 residues pruned to eliminate duplicates Z: 20 12.087 1.766 0.363 0.651 0.947 0.789 CB 1.057 20 residues pruned to eliminate duplicates Z: 20 12.193 1.788 0.322 0.653 0.947 0.895 CB 1.084 20 residues pruned to eliminate duplicates Z: 22 14.067 1.699 0.411 0.674 0.952 0.810 CB 1.145 22 residues pruned to eliminate duplicates Z: 36 27.402 1.933 0.811 0.707 0.971 0.629 CB 1.128 36 residues pruned to eliminate duplicates Z: 15 12.791 1.865 0.450 0.574 1.000 0.857 CB 1.177 15 residues pruned to eliminate duplicates Z: 35 27.213 1.951 0.691 0.714 0.971 0.618 CB 1.201 35 residues pruned to eliminate duplicates Z: 6 3.774 1.509 0.402 0.284 1.000 0.600 N 1.018 6 residues pruned to eliminate duplicates Z: 38 22.453 1.855 0.608 0.660 0.973 0.649 CB 1.096 38 residues pruned to eliminate duplicates Z: 21 15.656 1.734 0.445 0.633 1.000 0.900 CB 1.233 21 residues pruned to eliminate duplicates Z: 20 15.315 1.762 0.580 0.705 1.000 0.789 CB 1.047 20 residues pruned to eliminate duplicates Z: 21 13.100 1.784 0.431 0.589 0.950 0.700 CB 1.109 21 residues pruned to eliminate duplicates Z: 19 18.415 1.822 0.651 0.662 1.000 0.833 CB 1.242 19 residues pruned to eliminate duplicates Z: 10 10.225 1.729 0.335 0.916 1.000 0.778 CB 1.042 10 residues pruned to eliminate duplicates Z: 34 23.036 1.900 0.628 0.650 0.939 0.727 CB 1.200 34 residues pruned to eliminate duplicates Z: 21 16.352 1.783 0.517 0.623 1.000 0.800 CB 1.203 21 residues pruned to eliminate duplicates Z: 21 12.832 1.692 0.558 0.630 0.950 0.750 CB 1.014 21 residues pruned to eliminate duplicates Z: 34 22.427 1.918 0.676 0.680 0.909 0.576 CB 1.133 34 residues pruned to eliminate duplicates 478 residues left after pruning, divided into chains as follows: A: 23 B: 11 C: 13 D: 165 E: 33 F: 17 G: 19 H: 45 I: 9 J: 12 K: 35 L: 96 CC for partial structure against native data = 34.14 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.379, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.435, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.522, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.531, Connect. = 0.760 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.763 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.765 for dens.mod. cycle 6 = 0.300, Contrast = 0.554, Connect. = 0.766 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.767 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.768 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.768 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2995 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 685 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 32.474 2.159 0.527 0.886 1.000 0.833 CB 1.451 B: 16 24.048 2.195 0.314 0.912 1.000 0.600 CA 1.525 C: 24 32.448 2.149 0.653 0.933 0.957 0.609 CB 1.390 16 residues pruned to eliminate duplicates D: 21 29.937 2.102 0.569 0.925 1.000 0.900 CB 1.424 E: 26 28.356 2.143 0.482 0.924 0.920 0.560 CB 1.362 26 residues pruned to eliminate duplicates F: 21 13.772 1.976 -0.029 0.941 1.000 0.950 CA 1.114 G: 23 25.058 2.095 0.347 0.878 0.955 0.909 CB 1.439 21 residues pruned to eliminate duplicates H: 25 35.465 2.100 0.706 0.908 1.000 0.833 CA 1.435 24 residues pruned to eliminate duplicates I: 20 37.637 2.155 0.905 0.907 1.000 0.421 CB 1.495 21 residues pruned to eliminate duplicates J: 24 31.457 2.104 0.698 0.906 0.913 0.565 CB 1.431 24 residues pruned to eliminate duplicates K: 23 31.009 2.081 0.679 0.864 0.955 0.818 CB 1.453 23 residues pruned to eliminate duplicates L: 22 30.592 2.130 0.516 0.940 0.952 0.762 CB 1.507 22 residues pruned to eliminate duplicates M: 9 12.824 2.141 0.246 0.736 1.000 0.625 CA 1.375 N: 23 33.319 2.078 0.842 0.926 0.955 0.773 CB 1.364 21 residues pruned to eliminate duplicates O: 26 26.265 2.085 0.364 0.910 0.960 0.520 CB 1.364 27 residues pruned to eliminate duplicates P: 18 26.483 2.222 0.466 0.909 0.882 0.529 CB 1.587 18 residues pruned to eliminate duplicates Q: 12 19.026 2.061 0.654 0.807 1.000 0.818 CA 1.287 R: 23 32.027 2.041 0.728 0.881 0.955 0.773 CA 1.469 23 residues pruned to eliminate duplicates S: 6 10.267 2.054 0.012 0.857 1.000 1.000 CB 1.627 T: 22 28.055 2.173 0.499 0.910 0.905 0.762 CA 1.474 22 residues pruned to eliminate duplicates U: 8 11.776 2.110 0.052 0.857 1.000 0.857 CA 1.477 9 residues pruned to eliminate duplicates V: 19 20.293 1.859 0.430 0.906 1.000 0.833 CA 1.279 W: 24 26.720 2.039 0.495 0.870 0.957 0.783 CA 1.394 24 residues pruned to eliminate duplicates X: 11 14.708 1.867 0.478 0.894 0.900 0.800 CB 1.343 Y: 16 23.819 1.941 0.713 0.859 1.000 0.667 CB 1.361 Z: 12 27.264 2.165 0.890 0.885 1.000 0.818 CB 1.451 Z: 17 19.566 1.969 0.492 0.887 1.000 0.875 CB 1.200 Z: 24 32.460 2.188 0.492 0.899 0.957 0.783 CB 1.549 24 residues pruned to eliminate duplicates Z: 11 13.885 1.889 0.278 0.824 1.000 0.700 CB 1.375 10 residues pruned to eliminate duplicates Z: 22 38.827 2.100 0.962 0.946 1.000 0.714 CB 1.422 23 residues pruned to eliminate duplicates Z: 11 21.035 2.181 0.731 0.902 0.900 0.800 CB 1.396 Z: 23 32.212 2.055 0.697 0.939 1.000 1.000 CB 1.368 23 residues pruned to eliminate duplicates Z: 14 18.034 1.957 0.306 0.936 1.000 1.000 CA 1.363 Z: 22 27.305 2.041 0.416 0.945 1.000 0.952 CB 1.427 22 residues pruned to eliminate duplicates Z: 13 20.127 2.100 0.508 0.854 1.000 0.833 CB 1.355 12 residues pruned to eliminate duplicates Z: 22 20.520 2.019 0.143 0.929 1.000 0.905 CA 1.358 22 residues pruned to eliminate duplicates Z: 15 20.764 1.978 0.481 0.818 1.000 0.714 CB 1.437 14 residues pruned to eliminate duplicates Z: 17 25.341 2.059 0.451 0.921 1.000 0.750 CB 1.493 19 residues pruned to eliminate duplicates Z: 10 19.296 2.033 0.576 0.896 1.000 0.556 CA 1.438 Z: 12 21.842 2.065 0.423 0.907 1.000 0.545 CB 1.593 12 residues pruned to eliminate duplicates Z: 11 22.303 1.881 0.894 0.896 1.000 0.800 CA 1.418 10 residues pruned to eliminate duplicates Z: 17 22.962 1.986 0.639 0.882 0.938 0.750 CB 1.362 17 residues pruned to eliminate duplicates Z: 17 18.268 2.139 0.450 0.925 0.812 0.500 CB 1.271 17 residues pruned to eliminate duplicates Z: 14 26.820 1.975 0.815 0.931 1.000 0.846 CB 1.449 14 residues pruned to eliminate duplicates Z: 20 25.384 2.091 0.586 0.922 0.947 0.579 CB 1.303 20 residues pruned to eliminate duplicates Z: 12 26.251 2.022 0.907 0.933 1.000 0.909 CA 1.433 Z: 17 23.978 2.016 0.473 0.904 1.000 0.812 CA 1.437 17 residues pruned to eliminate duplicates Z: 20 31.659 2.101 0.886 0.876 0.947 0.368 CB 1.407 20 residues pruned to eliminate duplicates Z: 11 20.160 1.925 0.778 0.913 1.000 0.900 CA 1.318 11 residues pruned to eliminate duplicates Z: 14 16.439 1.927 0.361 0.929 1.000 0.846 CA 1.217 14 residues pruned to eliminate duplicates Z: 18 29.501 2.194 0.657 0.945 0.941 0.706 CB 1.447 18 residues pruned to eliminate duplicates Z: 21 31.952 2.075 0.703 0.907 1.000 0.700 CB 1.437 21 residues pruned to eliminate duplicates Z: 17 19.124 1.949 0.471 0.874 1.000 0.875 CB 1.214 18 residues pruned to eliminate duplicates Z: 24 27.433 1.993 0.474 0.905 1.000 0.826 CA 1.386 24 residues pruned to eliminate duplicates Z: 18 14.181 1.919 0.374 0.763 0.882 0.706 CB 1.170 18 residues pruned to eliminate duplicates Z: 8 17.318 2.022 0.662 0.838 1.000 0.714 CB 1.456 Z: 13 13.127 2.067 0.092 0.869 1.000 0.750 CB 1.227 13 residues pruned to eliminate duplicates Z: 23 31.018 2.066 0.613 0.855 1.000 0.591 CB 1.465 24 residues pruned to eliminate duplicates Z: 9 11.690 2.001 0.198 0.891 1.000 0.875 CA 1.239 8 residues pruned to eliminate duplicates Z: 25 36.895 2.175 0.728 0.916 1.000 0.792 CB 1.415 24 residues pruned to eliminate duplicates Z: 76 42.848 2.042 0.529 0.652 0.920 0.493 CB 1.496 44 residues pruned to eliminate duplicates Z: 16 28.167 1.992 0.917 0.872 1.000 0.933 CA 1.388 16 residues pruned to eliminate duplicates Z: 80 33.650 1.908 0.636 0.594 0.899 0.519 CB 1.233 41 residues pruned to eliminate duplicates Z: 17 21.894 2.027 0.755 0.882 1.000 0.625 CB 1.114 17 residues pruned to eliminate duplicates Z: 12 20.135 2.076 0.599 0.923 0.909 0.636 CB 1.414 12 residues pruned to eliminate duplicates Z: 8 8.985 1.740 0.450 0.702 0.857 0.571 CB 1.307 8 residues pruned to eliminate duplicates Z: 26 31.773 2.117 0.527 0.902 0.960 0.760 CB 1.461 26 residues pruned to eliminate duplicates Z: 11 13.245 1.812 0.368 0.875 0.900 0.600 CB 1.366 11 residues pruned to eliminate duplicates Z: 15 18.446 1.898 0.404 0.876 1.000 0.929 CA 1.344 14 residues pruned to eliminate duplicates Z: 23 33.470 2.061 0.783 0.911 1.000 0.727 CB 1.376 23 residues pruned to eliminate duplicates Z: 9 8.536 1.689 0.469 0.864 1.000 0.750 CB 0.891 9 residues pruned to eliminate duplicates Z: 10 24.796 2.063 1.026 0.931 1.000 0.778 CA 1.382 10 residues pruned to eliminate duplicates Z: 25 34.197 2.152 0.574 0.945 1.000 0.958 CB 1.426 25 residues pruned to eliminate duplicates Z: 7 4.098 1.936 0.448 0.251 0.667 0.500 CA 1.191 7 residues pruned to eliminate duplicates Z: 13 25.222 2.054 0.655 0.906 1.000 0.750 CB 1.524 13 residues pruned to eliminate duplicates Z: 8 18.064 2.301 0.601 0.820 0.857 0.571 CA 1.637 8 residues pruned to eliminate duplicates Z: 14 20.400 1.954 0.431 0.876 1.000 0.769 CA 1.470 14 residues pruned to eliminate duplicates Z: 13 19.847 2.054 0.574 0.827 1.000 0.750 CB 1.336 13 residues pruned to eliminate duplicates Z: 13 7.504 1.844 0.333 0.420 0.833 0.417 CB 1.150 13 residues pruned to eliminate duplicates Z: 11 13.238 1.884 0.369 0.803 1.000 0.700 CA 1.246 9 residues pruned to eliminate duplicates Z: 6 13.191 2.059 0.264 0.870 1.000 0.600 CB 1.654 6 residues pruned to eliminate duplicates Z: 15 26.755 1.919 0.931 0.930 1.000 0.929 CB 1.350 15 residues pruned to eliminate duplicates Z: 27 28.696 2.119 0.665 0.879 0.962 0.500 CB 1.203 27 residues pruned to eliminate duplicates Z: 12 23.478 2.038 1.048 0.896 0.818 0.455 CB 1.485 12 residues pruned to eliminate duplicates Z: 26 25.110 2.099 0.357 0.900 0.960 0.680 CB 1.311 26 residues pruned to eliminate duplicates Z: 21 30.439 2.090 0.757 0.936 0.950 0.850 CB 1.359 21 residues pruned to eliminate duplicates Z: 22 32.392 2.131 0.743 0.940 0.952 0.857 CB 1.387 22 residues pruned to eliminate duplicates Z: 21 34.523 2.081 0.942 0.911 0.950 0.700 CB 1.425 21 residues pruned to eliminate duplicates Z: 12 17.475 2.164 0.110 0.872 1.000 0.818 CB 1.599 12 residues pruned to eliminate duplicates Z: 12 22.326 2.094 0.599 0.902 1.000 0.818 CA 1.433 12 residues pruned to eliminate duplicates Z: 16 18.721 2.175 0.505 0.912 0.733 0.533 CB 1.425 16 residues pruned to eliminate duplicates Z: 13 27.776 2.085 0.978 0.913 1.000 0.500 CB 1.376 14 residues pruned to eliminate duplicates Z: 7 5.901 2.033 0.119 0.556 1.000 0.500 CB 1.002 Z: 8 8.014 2.085 0.539 0.343 0.857 0.571 CA 1.307 32 residues pruned to eliminate duplicates Z: 13 23.189 2.006 0.758 0.896 1.000 0.750 CB 1.360 13 residues pruned to eliminate duplicates Z: 13 20.775 1.869 0.794 0.930 0.917 0.500 CB 1.365 13 residues pruned to eliminate duplicates Z: 23 33.843 2.072 0.800 0.920 1.000 0.636 CB 1.363 23 residues pruned to eliminate duplicates Z: 15 25.176 2.031 0.744 0.905 1.000 0.929 CA 1.352 15 residues pruned to eliminate duplicates Z: 10 26.750 2.060 1.060 0.936 1.000 0.889 CA 1.463 10 residues pruned to eliminate duplicates Z: 23 29.975 2.044 0.624 0.904 0.955 0.682 CA 1.436 21 residues pruned to eliminate duplicates Z: 13 17.656 2.023 0.418 0.901 1.000 0.750 CB 1.269 13 residues pruned to eliminate duplicates Z: 22 29.242 2.067 0.600 0.909 1.000 0.857 CB 1.370 22 residues pruned to eliminate duplicates Z: 13 24.139 2.056 0.838 0.904 0.917 0.833 CB 1.433 13 residues pruned to eliminate duplicates Z: 11 26.815 2.307 0.719 0.904 1.000 0.900 CA 1.523 11 residues pruned to eliminate duplicates Z: 16 22.269 1.945 0.820 0.829 0.933 0.800 CA 1.310 16 residues pruned to eliminate duplicates Z: 11 13.297 1.913 0.077 0.893 1.000 0.800 CB 1.465 11 residues pruned to eliminate duplicates Z: 11 11.340 2.119 -0.068 0.866 1.000 0.600 CB 1.329 11 residues pruned to eliminate duplicates Z: 23 25.297 2.021 0.524 0.940 0.955 0.818 CB 1.273 23 residues pruned to eliminate duplicates Z: 9 4.245 1.747 0.172 0.304 0.875 0.500 CB 1.042 9 residues pruned to eliminate duplicates Z: 9 9.702 1.994 -0.047 0.882 1.000 0.875 CB 1.306 9 residues pruned to eliminate duplicates Z: 12 21.701 2.068 0.557 0.922 1.000 0.727 CB 1.429 12 residues pruned to eliminate duplicates Z: 25 30.975 2.094 0.499 0.916 0.958 0.750 CA 1.483 25 residues pruned to eliminate duplicates Z: 10 14.809 1.941 0.585 0.848 0.889 0.333 CA 1.340 10 residues pruned to eliminate duplicates Z: 19 13.302 1.881 0.563 0.539 0.889 0.444 CB 1.155 7 residues pruned to eliminate duplicates Z: 25 29.540 2.088 0.442 0.921 1.000 0.708 CB 1.409 25 residues pruned to eliminate duplicates Z: 21 19.398 1.776 0.755 0.582 0.950 0.600 CA 1.355 21 residues pruned to eliminate duplicates Z: 15 22.469 1.973 0.998 0.878 0.929 0.500 CB 1.191 15 residues pruned to eliminate duplicates Z: 13 29.042 2.116 0.991 0.909 1.000 0.500 CB 1.413 13 residues pruned to eliminate duplicates Z: 18 21.639 1.959 0.374 0.854 1.000 0.706 CA 1.441 18 residues pruned to eliminate duplicates Z: 7 9.219 1.946 0.308 0.819 1.000 0.833 CB 1.121 Z: 18 27.894 1.960 0.661 0.892 1.000 0.647 CA 1.493 18 residues pruned to eliminate duplicates Z: 12 19.546 1.916 0.736 0.893 1.000 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 9 10.599 2.097 0.485 0.822 1.000 0.875 CB 0.910 9 residues pruned to eliminate duplicates Z: 9 17.703 1.927 0.694 0.863 1.000 0.875 CA 1.407 9 residues pruned to eliminate duplicates Z: 12 17.116 1.966 0.402 0.886 1.000 0.818 CA 1.350 12 residues pruned to eliminate duplicates Z: 25 21.763 2.023 0.390 0.706 0.917 0.583 CA 1.429 23 residues pruned to eliminate duplicates Z: 24 28.758 2.117 0.546 0.877 0.957 0.739 CB 1.391 24 residues pruned to eliminate duplicates Z: 60 28.712 2.018 0.342 0.627 0.881 0.627 CB 1.389 60 residues pruned to eliminate duplicates Z: 24 26.259 1.952 0.575 0.882 1.000 0.913 CA 1.288 24 residues pruned to eliminate duplicates Z: 24 22.186 2.061 0.268 0.916 0.957 0.913 CA 1.306 24 residues pruned to eliminate duplicates Z: 18 15.350 2.009 0.435 0.612 0.882 0.529 CB 1.316 18 residues pruned to eliminate duplicates Z: 19 13.579 1.990 0.603 0.443 0.833 0.500 CA 1.276 7 residues pruned to eliminate duplicates Z: 26 28.702 2.108 0.546 0.896 0.960 0.760 CB 1.315 25 residues pruned to eliminate duplicates Z: 12 17.455 1.896 0.773 0.763 1.000 0.545 CB 1.240 12 residues pruned to eliminate duplicates Z: 12 23.481 1.974 0.959 0.905 0.909 0.909 CA 1.434 12 residues pruned to eliminate duplicates Z: 7 8.840 2.034 0.288 0.858 0.833 0.833 CA 1.218 7 residues pruned to eliminate duplicates Z: 10 14.159 1.943 0.350 0.877 1.000 0.667 CB 1.306 10 residues pruned to eliminate duplicates Z: 22 34.215 2.080 0.954 0.943 0.952 0.762 CB 1.336 22 residues pruned to eliminate duplicates Z: 15 9.892 1.805 0.331 0.347 1.000 0.643 CB 1.300 Z: 14 18.025 1.761 0.605 0.911 1.000 1.000 CA 1.254 13 residues pruned to eliminate duplicates Z: 11 13.177 1.696 0.400 0.806 1.000 0.800 CA 1.344 Z: 10 19.083 2.129 0.885 0.891 0.889 0.444 CA 1.282 10 residues pruned to eliminate duplicates Z: 23 34.101 2.144 0.600 0.921 0.955 0.818 CB 1.563 23 residues pruned to eliminate duplicates Z: 17 25.638 2.022 0.550 0.894 1.000 0.750 CB 1.468 17 residues pruned to eliminate duplicates Z: 8 8.519 1.805 0.507 0.463 0.857 0.714 CA 1.434 Z: 17 21.275 2.003 0.383 0.863 1.000 0.562 CB 1.409 17 residues pruned to eliminate duplicates Z: 11 14.699 1.888 0.571 0.877 0.900 0.700 CA 1.264 11 residues pruned to eliminate duplicates Z: 24 27.000 1.917 0.657 0.771 0.957 0.609 CA 1.458 25 residues pruned to eliminate duplicates Z: 8 5.787 1.590 0.075 0.860 1.000 0.571 CB 0.941 8 residues pruned to eliminate duplicates Z: 22 13.956 1.832 0.673 0.498 0.810 0.667 CB 1.230 22 residues pruned to eliminate duplicates Z: 7 3.449 1.524 0.483 0.264 0.833 0.333 CA 0.979 Z: 24 33.170 2.173 0.733 0.930 0.913 0.478 CB 1.406 24 residues pruned to eliminate duplicates Z: 26 25.738 2.094 0.367 0.856 0.920 0.560 CB 1.442 26 residues pruned to eliminate duplicates Z: 11 14.274 1.757 0.496 0.855 0.900 0.700 CB 1.409 10 residues pruned to eliminate duplicates Z: 8 7.860 1.647 0.108 0.867 1.000 0.857 N 1.190 Z: 10 8.293 1.787 0.428 0.382 0.889 0.889 CB 1.381 10 residues pruned to eliminate duplicates Z: 11 13.270 1.696 0.490 0.859 0.900 0.700 CA 1.358 12 residues pruned to eliminate duplicates Z: 12 22.952 2.077 0.606 0.874 1.000 0.545 CB 1.510 12 residues pruned to eliminate duplicates Z: 19 25.880 2.057 0.555 0.908 1.000 0.611 CA 1.354 19 residues pruned to eliminate duplicates Z: 14 11.137 2.011 -0.007 0.868 0.923 0.692 CB 1.225 14 residues pruned to eliminate duplicates Z: 22 31.657 2.050 0.808 0.908 1.000 0.619 CB 1.323 22 residues pruned to eliminate duplicates Z: 12 17.399 2.056 0.315 0.899 1.000 0.727 CB 1.387 12 residues pruned to eliminate duplicates Z: 13 17.790 1.869 0.604 0.857 1.000 0.833 CA 1.262 13 residues pruned to eliminate duplicates Z: 31 19.913 2.004 0.700 0.565 0.900 0.467 CB 1.113 31 residues pruned to eliminate duplicates Z: 31 20.649 1.977 0.556 0.548 0.833 0.467 CB 1.402 31 residues pruned to eliminate duplicates Z: 9 10.793 1.709 1.051 0.542 0.875 0.625 CB 1.194 Z: 18 15.842 2.034 0.730 0.513 0.824 0.529 CB 1.309 19 residues pruned to eliminate duplicates Z: 10 9.713 1.839 0.792 0.788 0.889 0.778 CB 0.858 Z: 6 10.226 2.052 0.545 0.781 1.000 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 15 21.555 1.945 0.469 0.922 1.000 0.857 CB 1.418 15 residues pruned to eliminate duplicates Z: 11 12.347 1.789 0.150 0.868 1.000 0.900 CA 1.388 12 residues pruned to eliminate duplicates Z: 20 24.341 2.156 0.691 0.569 0.895 0.632 CA 1.602 20 residues pruned to eliminate duplicates Z: 13 25.428 1.887 0.987 0.911 1.000 0.667 CA 1.387 13 residues pruned to eliminate duplicates Z: 23 34.617 2.107 0.699 0.900 0.955 0.682 CA 1.542 23 residues pruned to eliminate duplicates Z: 12 24.368 1.942 0.883 0.885 1.000 0.545 CA 1.450 12 residues pruned to eliminate duplicates Z: 36 22.733 1.947 0.536 0.646 0.943 0.571 CB 1.189 16 residues pruned to eliminate duplicates Z: 12 12.398 1.536 0.637 0.866 0.909 0.909 CA 1.197 12 residues pruned to eliminate duplicates Z: 14 23.450 2.045 0.606 0.915 1.000 0.846 CB 1.399 14 residues pruned to eliminate duplicates Z: 17 17.005 1.984 0.447 0.780 0.812 0.562 CB 1.424 17 residues pruned to eliminate duplicates Z: 25 19.875 1.936 0.690 0.552 0.875 0.458 CB 1.348 26 residues pruned to eliminate duplicates Z: 47 31.994 2.017 0.500 0.696 0.913 0.674 CB 1.427 47 residues pruned to eliminate duplicates Z: 21 34.768 2.103 1.030 0.940 0.950 0.300 CB 1.331 21 residues pruned to eliminate duplicates Z: 7 8.113 1.756 0.300 0.847 1.000 0.667 CA 1.078 7 residues pruned to eliminate duplicates Z: 18 17.932 1.894 0.279 0.897 1.000 0.588 CB 1.285 18 residues pruned to eliminate duplicates Z: 10 14.840 2.009 0.465 0.909 1.000 0.889 CA 1.194 10 residues pruned to eliminate duplicates Z: 23 27.311 2.031 0.556 0.880 1.000 0.636 CB 1.335 23 residues pruned to eliminate duplicates Z: 27 27.107 2.098 0.511 0.858 0.962 0.769 CB 1.284 27 residues pruned to eliminate duplicates Z: 26 24.435 2.085 0.610 0.881 0.880 0.560 CB 1.198 26 residues pruned to eliminate duplicates Z: 26 30.369 2.107 0.635 0.910 0.960 0.840 CB 1.302 26 residues pruned to eliminate duplicates Z: 11 17.360 1.807 0.407 0.882 1.000 0.600 CA 1.562 12 residues pruned to eliminate duplicates Z: 26 32.694 2.064 0.604 0.912 1.000 0.800 CB 1.399 26 residues pruned to eliminate duplicates Z: 18 23.650 2.012 0.519 0.855 0.941 0.706 CB 1.471 18 residues pruned to eliminate duplicates Z: 23 33.259 2.091 0.774 0.917 1.000 0.773 CB 1.349 23 residues pruned to eliminate duplicates Z: 6 11.033 1.759 0.400 0.814 1.000 0.800 CA 1.525 6 residues pruned to eliminate duplicates Z: 7 13.408 2.037 0.379 0.870 1.000 0.833 CA 1.423 7 residues pruned to eliminate duplicates Z: 10 23.680 1.900 1.029 0.891 1.000 0.667 CA 1.472 10 residues pruned to eliminate duplicates Z: 13 21.187 2.141 0.501 0.874 1.000 0.750 CA 1.386 13 residues pruned to eliminate duplicates Z: 14 23.595 2.078 0.781 0.868 0.923 0.385 CB 1.401 14 residues pruned to eliminate duplicates Z: 8 4.249 1.571 0.095 0.654 0.857 0.571 CB 0.944 Z: 9 10.931 1.863 0.541 0.913 0.875 0.750 CB 1.089 Z: 9 13.053 1.908 0.407 0.894 1.000 0.750 CB 1.233 9 residues pruned to eliminate duplicates Z: 18 13.046 1.778 0.383 0.620 0.882 0.647 CB 1.301 8 residues pruned to eliminate duplicates Z: 12 18.086 2.003 0.419 0.923 1.000 0.818 CB 1.349 12 residues pruned to eliminate duplicates Z: 10 9.574 1.980 0.028 0.870 0.889 0.667 CB 1.287 10 residues pruned to eliminate duplicates Z: 21 17.839 1.971 0.148 0.923 1.000 0.900 CA 1.239 21 residues pruned to eliminate duplicates Z: 10 26.154 2.171 1.192 0.899 1.000 0.889 CB 1.309 10 residues pruned to eliminate duplicates Z: 54 38.254 2.115 0.633 0.615 0.906 0.547 CB 1.506 54 residues pruned to eliminate duplicates Z: 35 22.598 1.955 0.648 0.657 0.941 0.559 CB 1.105 36 residues pruned to eliminate duplicates Z: 20 19.084 1.754 0.523 0.585 1.000 0.895 CA 1.511 11 residues pruned to eliminate duplicates Z: 17 28.184 2.179 0.539 0.921 1.000 0.938 CA 1.478 17 residues pruned to eliminate duplicates Z: 24 24.625 2.055 0.848 0.555 0.913 0.522 CB 1.404 26 residues pruned to eliminate duplicates Z: 13 26.495 2.146 0.659 0.941 1.000 0.583 CB 1.491 13 residues pruned to eliminate duplicates Z: 17 22.868 1.949 0.851 0.904 1.000 0.562 CB 1.129 17 residues pruned to eliminate duplicates Z: 14 9.119 1.785 0.331 0.360 1.000 0.846 CB 1.237 14 residues pruned to eliminate duplicates Z: 8 10.780 1.838 0.401 0.853 1.000 0.571 CB 1.169 9 residues pruned to eliminate duplicates Z: 12 29.023 2.191 1.013 0.906 1.000 0.273 CB 1.410 12 residues pruned to eliminate duplicates Z: 16 25.042 2.024 0.819 0.895 0.933 0.533 CB 1.349 16 residues pruned to eliminate duplicates Z: 26 22.580 1.871 0.462 0.755 0.960 0.800 CA 1.371 26 residues pruned to eliminate duplicates Z: 14 26.978 2.097 0.821 0.905 1.000 0.538 CB 1.395 14 residues pruned to eliminate duplicates Z: 12 23.829 2.133 0.613 0.925 1.000 0.727 CB 1.465 12 residues pruned to eliminate duplicates Z: 13 19.188 1.834 0.562 0.915 1.000 0.750 CA 1.366 12 residues pruned to eliminate duplicates Z: 9 12.698 1.884 0.382 0.903 1.000 0.875 CB 1.229 9 residues pruned to eliminate duplicates Z: 24 28.650 2.100 0.581 0.879 0.957 0.870 CA 1.364 24 residues pruned to eliminate duplicates Z: 6 2.492 1.562 0.712 0.100 0.800 0.200 CB 0.868 Z: 22 32.878 2.057 0.901 0.941 1.000 0.667 CB 1.274 22 residues pruned to eliminate duplicates Z: 19 16.584 2.061 0.638 0.491 0.833 0.444 CA 1.402 19 residues pruned to eliminate duplicates Z: 12 27.589 1.966 1.010 0.912 1.000 0.636 CA 1.491 12 residues pruned to eliminate duplicates Z: 17 24.414 2.049 0.697 0.877 1.000 0.688 CB 1.274 16 residues pruned to eliminate duplicates Z: 25 31.222 1.954 0.879 0.886 0.917 0.500 CB 1.365 24 residues pruned to eliminate duplicates Z: 18 22.363 2.258 0.512 0.557 0.882 0.588 CA 1.703 18 residues pruned to eliminate duplicates Z: 26 31.797 2.117 0.428 0.953 1.000 0.840 CB 1.448 26 residues pruned to eliminate duplicates Z: 10 14.176 1.886 0.645 0.797 0.889 0.556 CB 1.320 10 residues pruned to eliminate duplicates Z: 16 19.845 1.958 0.569 0.872 1.000 0.800 CB 1.215 16 residues pruned to eliminate duplicates Z: 9 11.634 1.823 0.966 0.871 1.000 0.875 CB 0.838 9 residues pruned to eliminate duplicates Z: 22 32.098 2.106 0.865 0.883 0.905 0.571 CB 1.425 22 residues pruned to eliminate duplicates Z: 8 4.101 1.646 0.530 0.479 0.714 0.571 CB 0.880 Z: 9 12.749 1.907 0.358 0.881 1.000 0.750 CA 1.261 9 residues pruned to eliminate duplicates Z: 10 18.581 2.016 0.670 0.832 1.000 0.778 CB 1.381 10 residues pruned to eliminate duplicates Z: 15 24.781 2.016 0.816 0.859 1.000 0.571 CB 1.331 15 residues pruned to eliminate duplicates Z: 22 34.132 2.100 0.835 0.920 1.000 0.571 CB 1.361 22 residues pruned to eliminate duplicates Z: 11 18.416 1.889 0.651 0.842 1.000 0.800 CA 1.391 11 residues pruned to eliminate duplicates Z: 11 12.184 1.990 0.501 0.879 0.800 0.200 CB 1.170 11 residues pruned to eliminate duplicates Z: 26 31.020 2.127 0.534 0.905 0.960 0.840 CB 1.410 26 residues pruned to eliminate duplicates Z: 17 19.254 1.936 0.483 0.881 1.000 0.812 CB 1.214 17 residues pruned to eliminate duplicates Z: 25 28.619 2.124 0.422 0.919 0.958 0.958 CB 1.422 25 residues pruned to eliminate duplicates Z: 24 29.516 2.088 0.564 0.901 0.913 0.565 CB 1.473 24 residues pruned to eliminate duplicates Z: 7 7.848 1.801 0.397 0.862 1.000 0.667 CB 0.935 7 residues pruned to eliminate duplicates Z: 36 23.294 1.858 0.709 0.581 0.914 0.714 CB 1.255 34 residues pruned to eliminate duplicates Z: 16 20.136 1.896 0.586 0.875 0.933 0.733 CB 1.348 16 residues pruned to eliminate duplicates Z: 43 31.492 2.016 0.474 0.724 0.952 0.595 CB 1.402 43 residues pruned to eliminate duplicates Z: 11 17.426 1.861 0.519 0.873 1.000 0.600 CB 1.419 10 residues pruned to eliminate duplicates Z: 9 9.255 1.793 0.453 0.825 0.875 0.875 CA 1.083 9 residues pruned to eliminate duplicates Z: 24 28.353 2.066 0.600 0.920 0.913 0.609 CB 1.379 24 residues pruned to eliminate duplicates Z: 46 29.050 1.986 0.410 0.669 0.933 0.711 CA 1.417 46 residues pruned to eliminate duplicates Z: 16 17.122 1.768 0.541 0.888 1.000 0.800 CB 1.169 16 residues pruned to eliminate duplicates Z: 10 13.786 1.730 0.354 0.871 1.000 0.778 O 1.431 10 residues pruned to eliminate duplicates Z: 16 22.546 2.084 0.396 0.880 1.000 0.600 CB 1.449 16 residues pruned to eliminate duplicates Z: 14 9.153 1.743 0.430 0.394 0.923 0.692 CB 1.235 14 residues pruned to eliminate duplicates Z: 8 10.717 1.659 0.502 0.842 1.000 0.857 N 1.211 7 residues pruned to eliminate duplicates Z: 12 12.162 1.977 -0.001 0.874 1.000 0.818 CA 1.352 12 residues pruned to eliminate duplicates Z: 8 6.545 1.533 0.190 0.798 1.000 0.857 CB 1.044 Z: 24 32.436 2.146 0.814 0.901 1.000 0.652 CB 1.240 24 residues pruned to eliminate duplicates Z: 8 10.818 1.948 0.914 0.808 0.857 0.857 CB 0.978 8 residues pruned to eliminate duplicates Z: 16 20.066 2.038 0.374 0.905 1.000 1.000 CB 1.317 16 residues pruned to eliminate duplicates Z: 9 7.458 1.719 0.087 0.863 0.875 0.750 CB 1.184 9 residues pruned to eliminate duplicates Z: 13 13.534 1.689 0.952 0.773 0.917 0.583 CA 1.015 13 residues pruned to eliminate duplicates Z: 37 30.769 2.019 0.725 0.712 0.917 0.444 CB 1.326 38 residues pruned to eliminate duplicates Z: 9 5.505 1.775 0.140 0.338 1.000 0.625 CB 1.148 10 residues pruned to eliminate duplicates Z: 10 10.466 1.957 0.556 0.882 0.778 0.444 CB 1.066 10 residues pruned to eliminate duplicates Z: 23 29.213 2.086 0.761 0.931 0.864 0.455 CB 1.372 23 residues pruned to eliminate duplicates Z: 11 13.961 1.927 0.110 0.904 1.000 0.600 CB 1.470 11 residues pruned to eliminate duplicates Z: 9 5.335 1.593 0.319 0.571 0.750 0.625 CB 1.118 9 residues pruned to eliminate duplicates Z: 13 15.921 1.913 0.867 0.776 0.917 0.667 CB 1.100 13 residues pruned to eliminate duplicates Z: 14 8.734 1.788 0.374 0.364 0.846 0.538 CB 1.349 14 residues pruned to eliminate duplicates Z: 28 26.161 2.041 0.597 0.897 0.889 0.444 CB 1.244 28 residues pruned to eliminate duplicates Z: 6 4.074 1.811 0.001 0.549 0.800 0.600 CB 1.197 Z: 11 9.084 1.674 0.723 0.821 0.800 0.700 CB 0.943 11 residues pruned to eliminate duplicates Z: 11 18.253 2.012 0.437 0.905 1.000 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 12 11.532 1.822 0.381 0.833 0.909 0.455 CB 1.141 12 residues pruned to eliminate duplicates Z: 23 9.722 1.866 0.397 0.401 0.727 0.364 CB 1.213 23 residues pruned to eliminate duplicates Z: 25 32.003 2.165 0.547 0.920 1.000 0.875 CB 1.374 25 residues pruned to eliminate duplicates Z: 7 10.125 1.986 0.235 0.879 1.000 0.833 CB 1.222 7 residues pruned to eliminate duplicates Z: 40 27.470 1.818 0.589 0.682 0.974 0.590 CB 1.323 40 residues pruned to eliminate duplicates Z: 6 8.343 1.608 1.073 0.789 1.000 0.800 CB 0.868 Z: 17 17.202 2.009 0.535 0.883 0.875 0.562 CB 1.153 17 residues pruned to eliminate duplicates Z: 12 13.133 1.583 0.650 0.868 0.909 0.818 CA 1.219 12 residues pruned to eliminate duplicates Z: 9 7.496 1.692 0.438 0.879 1.000 0.875 CB 0.790 9 residues pruned to eliminate duplicates Z: 11 15.518 1.872 0.493 0.927 0.900 0.400 CB 1.367 11 residues pruned to eliminate duplicates Z: 11 8.795 1.648 0.411 0.904 1.000 0.800 CB 0.852 10 residues pruned to eliminate duplicates Z: 25 33.068 2.173 0.533 0.920 1.000 0.750 CB 1.426 25 residues pruned to eliminate duplicates Z: 17 22.171 2.058 0.667 0.859 0.938 0.750 CB 1.268 17 residues pruned to eliminate duplicates Z: 26 29.452 2.063 0.553 0.877 0.960 0.720 CB 1.391 26 residues pruned to eliminate duplicates Z: 21 37.847 2.110 1.028 0.954 0.950 0.400 CB 1.432 22 residues pruned to eliminate duplicates Z: 10 10.885 1.873 0.201 0.782 1.000 0.667 CB 1.258 10 residues pruned to eliminate duplicates Z: 25 26.801 2.048 0.465 0.882 0.958 0.708 CA 1.376 25 residues pruned to eliminate duplicates Z: 11 17.736 1.992 0.636 0.832 1.000 0.900 CA 1.292 11 residues pruned to eliminate duplicates Z: 23 31.090 2.042 0.716 0.935 1.000 0.455 CB 1.318 23 residues pruned to eliminate duplicates Z: 24 32.293 2.021 0.792 0.899 0.957 0.652 CB 1.389 24 residues pruned to eliminate duplicates Z: 15 21.908 1.946 0.539 0.812 1.000 0.643 CB 1.491 15 residues pruned to eliminate duplicates Z: 12 20.723 2.173 0.377 0.929 1.000 0.727 CB 1.461 12 residues pruned to eliminate duplicates Z: 10 9.401 1.769 0.433 0.872 1.000 1.000 CB 0.901 10 residues pruned to eliminate duplicates Z: 34 26.262 1.948 0.536 0.721 0.970 0.727 CB 1.291 33 residues pruned to eliminate duplicates Z: 20 31.195 2.064 0.747 0.933 1.000 0.895 CA 1.385 20 residues pruned to eliminate duplicates Z: 14 22.188 1.962 0.574 0.924 1.000 0.846 CB 1.400 14 residues pruned to eliminate duplicates Z: 33 17.686 2.039 0.374 0.496 0.781 0.438 CB 1.434 33 residues pruned to eliminate duplicates Z: 29 18.497 1.945 0.696 0.480 0.893 0.643 CB 1.211 29 residues pruned to eliminate duplicates Z: 6 9.137 1.799 0.213 0.860 1.000 1.000 CA 1.377 6 residues pruned to eliminate duplicates Z: 9 17.863 1.868 0.651 0.864 1.000 0.500 CA 1.502 8 residues pruned to eliminate duplicates Z: 37 28.380 1.916 0.606 0.739 0.972 0.472 CB 1.277 37 residues pruned to eliminate duplicates Z: 13 21.524 2.112 0.307 0.904 1.000 0.833 CA 1.604 13 residues pruned to eliminate duplicates Z: 13 15.830 2.020 0.262 0.877 1.000 0.917 CA 1.302 13 residues pruned to eliminate duplicates Z: 14 10.668 1.880 0.588 0.512 1.000 0.385 CB 0.980 14 residues pruned to eliminate duplicates Z: 21 14.760 1.792 0.380 0.560 0.900 0.700 CA 1.399 21 residues pruned to eliminate duplicates Z: 7 6.411 1.562 0.125 0.815 1.000 0.667 CB 1.132 7 residues pruned to eliminate duplicates Z: 14 6.888 1.712 0.294 0.331 0.923 0.615 CB 1.124 14 residues pruned to eliminate duplicates Z: 11 21.032 2.219 0.822 0.614 0.900 0.800 CA 1.640 11 residues pruned to eliminate duplicates Z: 20 9.519 1.642 0.391 0.474 0.895 0.737 CB 1.097 20 residues pruned to eliminate duplicates Z: 10 22.650 2.037 0.993 0.939 1.000 0.889 CA 1.292 10 residues pruned to eliminate duplicates Z: 23 19.022 1.995 0.674 0.687 0.909 0.545 CB 1.125 23 residues pruned to eliminate duplicates Z: 11 15.437 1.849 0.602 0.872 0.900 0.800 CA 1.335 11 residues pruned to eliminate duplicates Z: 17 24.912 1.962 0.810 0.889 1.000 0.875 CB 1.262 17 residues pruned to eliminate duplicates Z: 8 6.190 1.758 0.494 0.693 0.857 0.571 CB 0.871 8 residues pruned to eliminate duplicates Z: 17 26.046 2.072 0.611 0.898 0.938 0.625 CA 1.489 17 residues pruned to eliminate duplicates Z: 27 36.077 2.072 0.846 0.919 0.923 0.615 CB 1.412 27 residues pruned to eliminate duplicates Z: 9 10.314 1.863 0.362 0.891 0.875 0.625 CB 1.181 9 residues pruned to eliminate duplicates Z: 16 28.741 1.955 0.952 0.918 1.000 0.867 CA 1.371 16 residues pruned to eliminate duplicates Z: 37 31.953 2.035 0.657 0.742 0.889 0.556 CB 1.430 37 residues pruned to eliminate duplicates Z: 7 5.981 1.376 0.540 0.792 0.833 0.500 N 1.070 7 residues pruned to eliminate duplicates Z: 7 5.588 1.852 -0.285 0.732 1.000 0.667 CB 1.398 Z: 10 11.764 1.578 0.455 0.855 1.000 0.667 CB 1.261 9 residues pruned to eliminate duplicates Z: 8 8.622 1.690 0.381 0.565 1.000 1.000 CA 1.311 7 residues pruned to eliminate duplicates Z: 9 15.064 1.887 0.579 0.904 1.000 0.875 CB 1.273 9 residues pruned to eliminate duplicates Z: 18 15.069 1.810 0.293 0.605 1.000 0.647 CB 1.412 18 residues pruned to eliminate duplicates Z: 9 7.496 2.054 0.194 0.527 0.875 0.625 CB 1.203 9 residues pruned to eliminate duplicates Z: 14 7.668 1.597 0.537 0.426 1.000 0.846 CB 0.936 Z: 9 10.952 1.464 0.697 0.832 1.000 0.750 CB 1.170 8 residues pruned to eliminate duplicates Z: 23 15.850 1.944 0.633 0.631 0.955 0.455 CB 0.986 23 residues pruned to eliminate duplicates Z: 10 9.149 1.807 0.479 0.882 0.889 0.222 CB 0.929 10 residues pruned to eliminate duplicates Z: 13 3.583 1.418 0.002 0.448 0.917 0.500 CB 0.838 5 residues pruned to eliminate duplicates Z: 22 39.315 2.099 0.987 0.949 1.000 0.714 CB 1.419 20 residues pruned to eliminate duplicates Z: 11 14.230 1.832 0.637 0.714 1.000 0.500 CA 1.236 11 residues pruned to eliminate duplicates Z: 23 24.130 2.127 0.616 0.482 0.955 0.545 CA 1.597 19 residues pruned to eliminate duplicates Z: 11 15.384 1.860 0.579 0.911 0.900 0.700 CB 1.304 11 residues pruned to eliminate duplicates Z: 7 7.360 1.361 0.589 0.844 1.000 0.500 CB 1.034 Z: 46 35.436 2.057 0.589 0.706 0.978 0.667 CB 1.371 46 residues pruned to eliminate duplicates Z: 11 16.849 2.082 0.585 0.910 1.000 0.700 CB 1.145 11 residues pruned to eliminate duplicates Z: 9 8.905 1.690 0.297 0.810 1.000 0.875 CB 1.097 9 residues pruned to eliminate duplicates Z: 8 7.782 1.753 0.125 0.869 1.000 0.857 CB 1.089 8 residues pruned to eliminate duplicates Z: 6 2.173 1.535 0.180 0.521 0.800 0.600 CB 0.657 Z: 24 24.524 1.945 0.437 0.933 0.957 0.826 CA 1.335 23 residues pruned to eliminate duplicates Z: 11 8.798 1.781 0.511 0.925 1.000 0.900 CA 0.725 Z: 15 27.013 1.878 1.005 0.925 1.000 0.857 CB 1.345 15 residues pruned to eliminate duplicates Z: 16 19.668 1.994 0.852 0.860 1.000 0.533 CB 1.011 16 residues pruned to eliminate duplicates Z: 28 14.925 1.837 0.611 0.419 0.889 0.519 CB 1.188 28 residues pruned to eliminate duplicates Z: 14 25.842 1.987 0.771 0.924 1.000 0.846 CB 1.431 14 residues pruned to eliminate duplicates Z: 10 17.247 1.985 0.393 0.903 1.000 0.778 CB 1.481 11 residues pruned to eliminate duplicates Z: 18 16.952 1.893 0.391 0.802 1.000 0.647 CB 1.199 18 residues pruned to eliminate duplicates Z: 29 15.561 1.788 0.400 0.503 0.893 0.571 CB 1.313 29 residues pruned to eliminate duplicates Z: 9 8.689 1.855 0.581 0.760 0.625 0.500 CB 1.331 9 residues pruned to eliminate duplicates Z: 9 13.208 1.926 0.434 0.832 1.000 0.750 CB 1.268 9 residues pruned to eliminate duplicates Z: 11 15.997 1.855 0.463 0.712 1.000 0.600 CA 1.537 11 residues pruned to eliminate duplicates Z: 10 12.217 1.813 0.644 0.920 1.000 0.889 CB 0.962 10 residues pruned to eliminate duplicates Z: 60 37.501 1.993 0.581 0.667 0.949 0.610 CB 1.399 60 residues pruned to eliminate duplicates Z: 15 21.868 1.975 0.596 0.913 1.000 0.857 CB 1.312 15 residues pruned to eliminate duplicates Z: 38 20.939 1.957 0.573 0.533 0.892 0.541 CB 1.213 38 residues pruned to eliminate duplicates Z: 10 7.727 1.784 0.133 0.849 1.000 0.778 CB 0.945 10 residues pruned to eliminate duplicates Z: 11 20.484 2.026 0.591 0.930 1.000 1.000 CB 1.405 11 residues pruned to eliminate duplicates Z: 31 20.923 1.920 0.687 0.590 0.900 0.600 CB 1.203 31 residues pruned to eliminate duplicates Z: 15 25.445 2.017 0.877 0.836 1.000 0.429 CB 1.344 15 residues pruned to eliminate duplicates Z: 26 33.147 2.092 0.607 0.839 0.960 0.680 CB 1.534 26 residues pruned to eliminate duplicates Z: 14 19.604 2.021 0.425 0.923 1.000 0.923 CB 1.327 14 residues pruned to eliminate duplicates Z: 10 10.771 1.987 0.515 0.541 1.000 0.778 CB 1.146 10 residues pruned to eliminate duplicates Z: 9 12.765 1.772 0.472 0.900 0.875 0.375 CB 1.412 9 residues pruned to eliminate duplicates Z: 30 22.805 1.890 0.378 0.614 0.966 0.759 CA 1.512 34 residues pruned to eliminate duplicates Z: 9 6.168 1.492 0.715 0.517 0.875 0.625 CB 0.958 7 residues pruned to eliminate duplicates Z: 18 19.895 2.073 0.881 0.579 0.882 0.471 CB 1.299 17 residues pruned to eliminate duplicates Z: 14 19.858 1.803 0.649 0.891 1.000 0.615 CA 1.332 14 residues pruned to eliminate duplicates Z: 34 21.257 2.075 0.555 0.512 0.818 0.515 CB 1.385 34 residues pruned to eliminate duplicates Z: 17 25.781 2.027 0.693 0.855 1.000 0.812 CB 1.386 17 residues pruned to eliminate duplicates Z: 19 22.588 1.972 0.741 0.863 0.833 0.556 CB 1.365 19 residues pruned to eliminate duplicates Z: 8 7.457 1.911 0.186 0.833 1.000 0.714 CB 0.933 8 residues pruned to eliminate duplicates Z: 11 9.990 1.700 0.470 0.535 1.000 0.800 CA 1.222 11 residues pruned to eliminate duplicates Z: 11 26.124 1.985 1.216 0.894 1.000 0.600 CA 1.347 11 residues pruned to eliminate duplicates Z: 7 2.842 1.759 -0.074 0.890 1.000 1.000 CA 0.512 7 residues pruned to eliminate duplicates Z: 21 28.839 2.040 0.980 0.920 0.850 0.350 CB 1.323 21 residues pruned to eliminate duplicates Z: 24 19.487 1.933 0.282 0.902 1.000 0.870 CA 1.169 24 residues pruned to eliminate duplicates Z: 9 8.103 1.520 0.339 0.812 1.000 0.625 CA 1.073 9 residues pruned to eliminate duplicates Z: 6 4.009 1.464 0.095 0.477 1.000 0.600 N 1.145 Z: 19 11.646 1.733 0.660 0.547 0.833 0.500 CB 1.093 19 residues pruned to eliminate duplicates Z: 24 29.329 2.119 0.463 0.887 0.957 0.696 CB 1.487 24 residues pruned to eliminate duplicates Z: 46 31.994 2.025 0.521 0.698 0.956 0.644 CB 1.352 46 residues pruned to eliminate duplicates Z: 22 39.800 2.068 1.143 0.934 1.000 0.667 CB 1.367 22 residues pruned to eliminate duplicates Z: 6 2.481 1.640 0.129 0.675 0.800 0.800 CB 0.637 Z: 8 9.601 1.771 0.464 0.905 1.000 0.571 CB 0.996 8 residues pruned to eliminate duplicates Z: 23 25.684 2.047 0.471 0.858 0.909 0.636 CB 1.473 23 residues pruned to eliminate duplicates Z: 12 6.868 1.562 0.468 0.397 0.909 0.818 CB 1.108 14 residues pruned to eliminate duplicates Z: 21 21.644 2.133 0.685 0.479 0.900 0.500 CA 1.528 21 residues pruned to eliminate duplicates Z: 10 8.006 1.767 0.342 0.855 1.000 0.667 CB 0.831 10 residues pruned to eliminate duplicates Z: 23 37.962 2.068 0.959 0.954 1.000 0.682 CB 1.374 23 residues pruned to eliminate duplicates Z: 6 2.875 1.583 0.468 0.431 0.600 0.400 N 0.991 Z: 9 9.725 1.807 0.855 0.855 1.000 0.750 CB 0.757 9 residues pruned to eliminate duplicates Z: 12 8.767 1.806 0.241 0.524 1.000 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 7 4.096 1.691 0.018 0.644 0.833 0.667 CB 1.019 7 residues pruned to eliminate duplicates Z: 16 6.714 1.630 0.297 0.428 0.867 0.200 CB 1.020 16 residues pruned to eliminate duplicates Z: 17 14.227 1.907 0.418 0.843 1.000 0.688 CB 0.979 17 residues pruned to eliminate duplicates Z: 9 13.766 2.037 0.321 0.802 1.000 0.625 CA 1.388 9 residues pruned to eliminate duplicates Z: 8 10.055 1.647 0.675 0.733 1.000 0.857 CA 1.118 7 residues pruned to eliminate duplicates Z: 10 11.215 1.943 0.308 0.828 0.889 0.333 CB 1.246 10 residues pruned to eliminate duplicates 6 1.997 1.698 0.328 0.739 0.800 0.600 CB 0.400 ? Z: 13 12.367 1.685 0.476 0.853 0.833 0.583 CB 1.273 13 residues pruned to eliminate duplicates Z: 16 22.340 2.062 0.697 0.894 1.000 0.867 CB 1.183 16 residues pruned to eliminate duplicates Z: 9 11.261 1.920 0.245 0.857 1.000 0.875 CB 1.227 9 residues pruned to eliminate duplicates Z: 10 4.137 1.515 0.368 0.369 0.778 0.444 CB 0.985 10 residues pruned to eliminate duplicates Z: 10 9.426 1.785 0.293 0.885 1.000 1.000 CB 0.983 10 residues pruned to eliminate duplicates Z: 21 16.089 1.837 0.652 0.499 1.000 0.450 CB 1.187 21 residues pruned to eliminate duplicates Z: 7 5.960 1.449 0.346 0.800 1.000 0.500 CB 0.959 7 residues pruned to eliminate duplicates Z: 12 13.664 1.606 0.636 0.771 0.909 0.455 CA 1.357 12 residues pruned to eliminate duplicates Z: 11 9.594 1.704 0.254 0.845 1.000 0.800 CA 1.056 11 residues pruned to eliminate duplicates Z: 6 4.710 1.521 0.318 0.473 1.000 0.600 CA 1.080 4 residues pruned to eliminate duplicates Z: 8 6.056 1.715 0.429 0.441 0.857 0.429 CA 1.158 8 residues pruned to eliminate duplicates Z: 10 9.188 1.747 0.333 0.800 0.889 0.444 CB 1.139 10 residues pruned to eliminate duplicates Z: 117 49.486 2.014 0.633 0.655 0.897 0.586 CB 1.349 180 residues pruned to eliminate duplicates Z: 7 10.300 1.878 0.154 0.854 1.000 0.500 CB 1.433 7 residues pruned to eliminate duplicates Z: 22 37.647 2.092 1.095 0.922 0.952 0.524 CB 1.384 22 residues pruned to eliminate duplicates Z: 8 7.852 2.084 0.124 0.609 1.000 0.714 CB 1.143 8 residues pruned to eliminate duplicates Z: 11 11.128 1.761 0.416 0.832 1.000 0.700 CA 1.059 11 residues pruned to eliminate duplicates Z: 25 27.205 2.029 0.380 0.929 1.000 0.875 CA 1.387 Z: 10 10.125 1.802 0.274 0.843 1.000 0.667 CB 1.095 Z: 8 2.971 1.242 0.182 0.421 0.857 0.571 CA 0.970 Z: 6 3.713 1.396 0.502 0.446 0.800 0.400 N 1.046 Z: 9 10.658 1.900 0.219 0.886 1.000 0.750 CB 1.174 9 residues pruned to eliminate duplicates Z: 11 13.435 1.757 0.941 0.911 0.800 0.500 CB 1.104 9 residues pruned to eliminate duplicates Z: 11 12.299 1.763 0.689 0.894 1.000 0.700 CB 0.937 11 residues pruned to eliminate duplicates Z: 19 31.614 2.074 0.926 0.920 0.944 0.778 CB 1.391 19 residues pruned to eliminate duplicates Z: 8 6.435 1.253 0.586 0.822 0.857 0.571 CB 1.080 8 residues pruned to eliminate duplicates Z: 9 9.834 1.806 0.323 0.880 1.000 0.625 CB 1.055 9 residues pruned to eliminate duplicates Z: 16 24.548 2.195 0.653 0.916 0.800 0.200 CB 1.543 16 residues pruned to eliminate duplicates Z: 8 7.818 1.756 0.341 0.839 1.000 0.571 CB 0.937 8 residues pruned to eliminate duplicates Z: 17 17.511 2.017 0.327 0.835 1.000 0.375 CB 1.225 17 residues pruned to eliminate duplicates Z: 6 5.217 1.509 0.595 0.801 1.000 1.000 CA 0.745 Z: 19 26.633 2.024 0.702 0.904 1.000 0.778 CB 1.298 19 residues pruned to eliminate duplicates Z: 19 15.787 1.733 0.730 0.655 0.944 0.667 CA 1.139 20 residues pruned to eliminate duplicates Z: 20 17.953 1.949 0.698 0.518 0.895 0.579 CA 1.367 20 residues pruned to eliminate duplicates Z: 9 5.608 1.622 0.115 0.593 0.875 0.625 CA 1.146 9 residues pruned to eliminate duplicates Z: 25 17.896 1.930 0.670 0.556 0.833 0.417 CB 1.289 25 residues pruned to eliminate duplicates Z: 9 7.718 1.716 0.345 0.901 0.875 0.500 CB 0.964 9 residues pruned to eliminate duplicates Z: 8 14.131 1.720 1.092 0.820 1.000 1.000 CB 1.124 8 residues pruned to eliminate duplicates Z: 20 24.617 2.003 0.609 0.839 1.000 0.842 CB 1.309 20 residues pruned to eliminate duplicates Z: 8 7.862 1.695 0.662 0.819 0.857 0.429 CB 0.933 8 residues pruned to eliminate duplicates Z: 9 15.136 1.939 0.886 0.870 0.875 0.750 CA 1.221 9 residues pruned to eliminate duplicates Z: 6 8.519 1.521 0.652 0.812 1.000 0.600 CA 1.156 6 residues pruned to eliminate duplicates Z: 19 23.626 2.257 0.519 0.591 0.944 0.556 CA 1.576 Z: 26 24.683 1.964 0.643 0.698 0.880 0.560 CB 1.451 26 residues pruned to eliminate duplicates Z: 61 35.902 2.082 0.363 0.635 0.950 0.583 CB 1.514 50 residues pruned to eliminate duplicates Z: 8 9.083 1.776 0.469 0.881 1.000 0.571 CB 0.953 8 residues pruned to eliminate duplicates Z: 30 16.500 1.901 0.525 0.458 0.862 0.517 CB 1.279 30 residues pruned to eliminate duplicates Z: 22 28.316 1.978 0.658 0.872 1.000 0.714 CB 1.373 22 residues pruned to eliminate duplicates Z: 23 37.292 2.104 0.984 0.936 0.955 0.636 CB 1.390 23 residues pruned to eliminate duplicates Z: 9 4.238 1.495 0.114 0.374 0.875 0.625 O 1.176 Z: 10 15.182 2.048 0.691 0.662 0.889 0.556 CA 1.414 10 residues pruned to eliminate duplicates Z: 19 20.959 2.199 0.354 0.506 1.000 0.500 CA 1.649 18 residues pruned to eliminate duplicates Z: 15 7.743 1.852 0.268 0.455 0.929 0.500 CB 0.994 15 residues pruned to eliminate duplicates Z: 15 7.364 1.778 0.415 0.383 0.786 0.357 CB 1.128 15 residues pruned to eliminate duplicates Z: 6 2.968 1.487 0.096 0.491 0.800 0.800 CB 1.026 6 residues pruned to eliminate duplicates Z: 20 10.722 1.703 0.479 0.541 0.895 0.684 CA 1.049 20 residues pruned to eliminate duplicates Z: 9 11.145 1.849 0.279 0.897 1.000 0.625 CB 1.193 9 residues pruned to eliminate duplicates Z: 23 20.390 1.899 0.477 0.739 1.000 0.818 CB 1.251 23 residues pruned to eliminate duplicates Z: 13 9.920 1.684 0.676 0.511 0.833 0.667 CB 1.204 13 residues pruned to eliminate duplicates Z: 23 33.580 2.043 0.994 0.943 0.955 0.409 CB 1.276 23 residues pruned to eliminate duplicates 7 1.818 1.542 0.162 0.250 0.667 0.500 CB 0.828 ? Z: 10 11.121 1.763 0.234 0.840 1.000 0.667 CB 1.272 10 residues pruned to eliminate duplicates Z: 21 20.797 1.898 0.762 0.677 0.900 0.750 CA 1.312 21 residues pruned to eliminate duplicates Z: 6 8.389 1.677 0.589 0.699 1.000 0.800 CA 1.174 6 residues pruned to eliminate duplicates Z: 8 8.489 1.735 0.692 0.672 1.000 0.714 CA 0.933 8 residues pruned to eliminate duplicates Z: 14 12.382 1.657 0.594 0.892 0.923 0.846 CB 1.012 14 residues pruned to eliminate duplicates 7 0.834 1.139 0.488 0.431 0.833 0.667 C 0.259 ? Z: 10 10.136 1.677 0.426 0.529 1.000 0.667 CA 1.373 10 residues pruned to eliminate duplicates Z: 26 24.281 2.013 0.664 0.609 0.920 0.600 CB 1.421 32 residues pruned to eliminate duplicates Z: 10 13.126 1.808 0.873 0.697 0.889 0.889 CA 1.214 10 residues pruned to eliminate duplicates Z: 10 2.535 1.398 0.307 0.241 0.667 0.333 O 0.936 8 residues pruned to eliminate duplicates Z: 9 4.138 1.650 -0.069 0.304 0.875 0.625 CB 1.354 9 residues pruned to eliminate duplicates Z: 22 29.841 2.103 0.901 0.947 0.905 0.524 CB 1.245 22 residues pruned to eliminate duplicates Z: 7 3.886 1.724 -0.248 0.555 0.833 0.500 CB 1.393 7 residues pruned to eliminate duplicates Z: 14 18.714 2.043 0.575 0.877 1.000 0.692 CB 1.171 14 residues pruned to eliminate duplicates Z: 23 25.459 2.018 0.586 0.801 0.909 0.773 CB 1.434 23 residues pruned to eliminate duplicates Z: 6 2.798 1.359 0.351 0.347 0.800 0.600 O 1.006 Z: 9 3.533 1.354 0.332 0.351 0.875 0.500 CB 0.930 Z: 8 2.922 1.597 0.506 0.275 0.714 0.143 CB 0.830 8 residues pruned to eliminate duplicates Z: 9 9.721 1.737 0.555 0.536 1.000 0.750 CA 1.228 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 22 22.907 2.045 0.869 0.467 0.952 0.524 CB 1.420 22 residues pruned to eliminate duplicates Z: 6 2.753 1.599 0.514 0.175 0.800 0.400 CA 0.943 6 residues pruned to eliminate duplicates Z: 26 19.399 1.936 0.627 0.533 0.880 0.440 CA 1.355 26 residues pruned to eliminate duplicates Z: 29 18.220 1.969 0.591 0.423 0.857 0.464 CA 1.390 29 residues pruned to eliminate duplicates Z: 25 19.012 2.016 0.479 0.532 0.875 0.333 CB 1.441 25 residues pruned to eliminate duplicates Z: 25 20.444 2.048 0.634 0.536 0.833 0.417 CB 1.444 25 residues pruned to eliminate duplicates Z: 19 16.699 2.092 0.776 0.468 0.778 0.333 CA 1.408 19 residues pruned to eliminate duplicates Z: 18 18.184 2.112 0.658 0.520 0.824 0.471 CA 1.499 18 residues pruned to eliminate duplicates Z: 44 37.968 2.143 0.661 0.707 0.907 0.535 CB 1.486 65 residues pruned to eliminate duplicates Z: 10 13.000 1.991 0.720 0.607 1.000 0.667 CA 1.143 10 residues pruned to eliminate duplicates Z: 24 16.920 1.980 0.631 0.455 0.826 0.304 CB 1.386 24 residues pruned to eliminate duplicates Z: 14 22.943 2.125 0.750 0.612 1.000 0.462 CB 1.538 14 residues pruned to eliminate duplicates Z: 25 18.476 2.001 0.596 0.493 0.917 0.542 CB 1.297 25 residues pruned to eliminate duplicates Z: 21 18.072 2.026 0.713 0.507 0.800 0.500 CA 1.445 21 residues pruned to eliminate duplicates Z: 26 24.435 1.997 0.704 0.550 0.960 0.600 CA 1.424 26 residues pruned to eliminate duplicates Z: 26 19.298 1.946 0.643 0.493 0.880 0.520 CA 1.382 26 residues pruned to eliminate duplicates Z: 19 22.064 2.035 0.916 0.551 0.889 0.556 CA 1.427 19 residues pruned to eliminate duplicates Z: 24 21.431 1.979 0.667 0.518 0.913 0.696 CA 1.458 24 residues pruned to eliminate duplicates Z: 25 15.215 1.906 0.602 0.439 0.833 0.500 CA 1.300 25 residues pruned to eliminate duplicates Z: 25 20.175 1.946 0.660 0.524 0.917 0.417 CB 1.358 25 residues pruned to eliminate duplicates Z: 24 18.660 1.955 0.619 0.526 0.870 0.522 CA 1.378 7 residues pruned to eliminate duplicates Z: 11 18.344 2.047 0.637 0.790 1.000 0.500 CA 1.341 10 residues pruned to eliminate duplicates Z: 11 18.285 2.047 0.586 0.785 1.000 0.500 CA 1.386 11 residues pruned to eliminate duplicates Z: 10 19.526 1.990 0.848 0.818 1.000 0.444 CB 1.343 10 residues pruned to eliminate duplicates Z: 11 13.633 1.932 0.815 0.694 0.900 0.300 CB 1.145 11 residues pruned to eliminate duplicates Z: 13 12.716 1.892 0.388 0.574 1.000 0.667 CA 1.301 13 residues pruned to eliminate duplicates Z: 11 13.980 1.931 0.561 0.625 1.000 0.600 CB 1.304 11 residues pruned to eliminate duplicates Z: 11 11.039 1.941 0.534 0.617 0.800 0.600 CB 1.313 11 residues pruned to eliminate duplicates Z: 12 14.667 1.943 0.693 0.631 0.909 0.455 CA 1.308 12 residues pruned to eliminate duplicates Z: 12 13.763 1.932 0.694 0.689 0.818 0.455 CB 1.304 12 residues pruned to eliminate duplicates Z: 6 2.357 1.694 -0.176 0.100 1.000 0.600 CB 1.259 6 residues pruned to eliminate duplicates Z: 8 3.468 1.583 0.462 0.071 0.857 0.714 CB 1.156 7 residues pruned to eliminate duplicates Z: 6 4.143 1.417 0.575 0.385 1.000 0.800 CA 0.939 6 residues pruned to eliminate duplicates Z: 14 8.197 1.666 0.541 0.418 0.923 0.846 CB 1.045 13 residues pruned to eliminate duplicates Z: 6 3.958 1.611 0.299 0.441 1.000 0.600 CB 0.898 6 residues pruned to eliminate duplicates Z: 12 6.960 1.712 0.355 0.386 1.000 0.727 CB 1.021 12 residues pruned to eliminate duplicates Z: 10 11.417 1.780 0.226 0.833 1.000 0.556 CB 1.308 Z: 10 11.378 1.741 0.290 0.866 1.000 0.778 CB 1.237 10 residues pruned to eliminate duplicates Z: 9 11.217 1.879 0.298 0.881 1.000 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 8 11.715 1.887 0.426 0.907 1.000 0.857 CB 1.169 8 residues pruned to eliminate duplicates Z: 9 11.374 1.889 0.348 0.898 1.000 0.625 CB 1.130 9 residues pruned to eliminate duplicates Z: 9 10.613 1.901 0.387 0.875 0.875 0.625 CB 1.183 9 residues pruned to eliminate duplicates Z: 20 11.814 1.785 0.296 0.507 0.842 0.526 CB 1.381 8 residues pruned to eliminate duplicates Z: 10 12.245 1.784 0.224 0.884 1.000 0.667 CB 1.350 10 residues pruned to eliminate duplicates Z: 18 13.735 1.853 0.307 0.606 0.882 0.647 CB 1.409 20 residues pruned to eliminate duplicates Z: 12 9.373 1.838 0.290 0.615 0.818 0.636 CB 1.306 12 residues pruned to eliminate duplicates Z: 20 13.293 1.779 0.260 0.593 0.895 0.684 CB 1.391 20 residues pruned to eliminate duplicates Z: 14 10.094 1.860 0.062 0.568 0.923 0.692 CB 1.437 14 residues pruned to eliminate duplicates Z: 13 6.423 1.687 0.108 0.342 0.833 0.500 O 1.414 13 residues pruned to eliminate duplicates Z: 43 28.210 2.035 0.430 0.711 0.857 0.524 CB 1.441 63 residues pruned to eliminate duplicates Z: 18 12.376 1.841 0.150 0.522 0.941 0.588 CB 1.475 Z: 27 37.267 2.158 0.774 0.832 1.000 0.577 CB 1.433 27 residues pruned to eliminate duplicates Z: 27 34.710 2.165 0.573 0.855 1.000 0.692 CB 1.475 27 residues pruned to eliminate duplicates Z: 9 15.537 2.044 0.511 0.900 1.000 0.750 CB 1.270 9 residues pruned to eliminate duplicates Z: 30 32.787 2.125 0.541 0.808 0.931 0.586 CB 1.527 30 residues pruned to eliminate duplicates Z: 26 31.601 2.116 0.528 0.914 0.960 0.760 CB 1.441 26 residues pruned to eliminate duplicates Z: 44 38.239 2.044 0.617 0.729 0.977 0.558 CB 1.470 62 residues pruned to eliminate duplicates Z: 45 30.172 1.980 0.570 0.654 0.886 0.591 CB 1.430 45 residues pruned to eliminate duplicates Z: 39 27.104 2.042 0.448 0.681 0.921 0.500 CB 1.367 39 residues pruned to eliminate duplicates Z: 36 31.153 2.096 0.484 0.707 0.943 0.600 CB 1.488 36 residues pruned to eliminate duplicates Z: 26 29.531 2.107 0.559 0.737 0.960 0.560 CB 1.514 26 residues pruned to eliminate duplicates Z: 45 32.337 2.028 0.409 0.744 0.977 0.705 CB 1.404 45 residues pruned to eliminate duplicates Z: 43 33.097 2.044 0.469 0.729 0.952 0.690 CB 1.453 43 residues pruned to eliminate duplicates Z: 30 31.749 2.098 0.564 0.828 0.966 0.724 CB 1.401 30 residues pruned to eliminate duplicates Z: 27 32.161 2.097 0.512 0.927 0.962 0.692 CB 1.450 27 residues pruned to eliminate duplicates Z: 43 31.495 2.023 0.422 0.700 0.952 0.524 CB 1.478 43 residues pruned to eliminate duplicates Z: 43 30.474 2.033 0.391 0.714 0.952 0.619 CB 1.438 43 residues pruned to eliminate duplicates Z: 29 35.421 2.148 0.656 0.827 0.964 0.750 CB 1.471 29 residues pruned to eliminate duplicates Z: 17 19.399 2.151 0.259 0.840 1.000 0.750 CB 1.336 17 residues pruned to eliminate duplicates Z: 37 29.018 2.032 0.529 0.675 0.889 0.639 CB 1.490 37 residues pruned to eliminate duplicates Z: 43 33.098 2.030 0.434 0.742 0.976 0.714 CB 1.448 43 residues pruned to eliminate duplicates Z: 25 38.200 2.214 0.661 0.929 1.000 0.708 CB 1.484 25 residues pruned to eliminate duplicates Z: 26 36.428 2.148 0.614 0.929 1.000 0.720 CA 1.470 25 residues pruned to eliminate duplicates Z: 26 31.698 2.173 0.576 0.901 0.960 0.720 CB 1.376 26 residues pruned to eliminate duplicates Z: 43 32.842 2.045 0.460 0.721 0.952 0.548 CB 1.460 43 residues pruned to eliminate duplicates Z: 43 33.316 2.064 0.427 0.738 0.952 0.738 CB 1.481 43 residues pruned to eliminate duplicates Z: 30 28.325 2.074 0.784 0.752 0.897 0.690 CB 1.266 30 residues pruned to eliminate duplicates Z: 24 25.574 2.096 0.520 0.776 0.957 0.522 CB 1.372 24 residues pruned to eliminate duplicates Z: 65 38.825 2.018 0.564 0.662 0.922 0.609 CB 1.436 65 residues pruned to eliminate duplicates Z: 32 29.475 2.071 0.638 0.703 0.968 0.742 CB 1.341 32 residues pruned to eliminate duplicates Z: 31 29.330 1.990 0.806 0.740 0.900 0.733 CB 1.334 31 residues pruned to eliminate duplicates Z: 27 29.084 2.019 0.828 0.748 0.885 0.615 CA 1.400 27 residues pruned to eliminate duplicates Z: 37 29.271 2.017 0.653 0.712 0.917 0.528 CB 1.316 37 residues pruned to eliminate duplicates Z: 27 34.377 2.063 0.795 0.787 0.962 0.654 CB 1.470 27 residues pruned to eliminate duplicates Z: 63 40.744 2.038 0.551 0.696 0.952 0.661 CB 1.438 63 residues pruned to eliminate duplicates Z: 23 32.801 2.163 0.857 0.833 0.909 0.455 CB 1.437 23 residues pruned to eliminate duplicates Z: 26 29.591 2.038 0.725 0.787 0.920 0.520 CB 1.423 26 residues pruned to eliminate duplicates Z: 72 37.512 2.008 0.591 0.633 0.901 0.507 CB 1.365 72 residues pruned to eliminate duplicates Z: 30 31.256 2.076 0.757 0.748 0.931 0.552 CB 1.370 30 residues pruned to eliminate duplicates Z: 72 37.491 2.074 0.573 0.607 0.901 0.592 CB 1.367 72 residues pruned to eliminate duplicates Z: 22 37.682 2.160 0.954 0.796 0.952 0.571 CB 1.579 22 residues pruned to eliminate duplicates Z: 76 38.633 2.032 0.589 0.635 0.893 0.493 CB 1.363 76 residues pruned to eliminate duplicates Z: 32 29.116 2.076 0.797 0.687 0.903 0.516 CB 1.308 32 residues pruned to eliminate duplicates Z: 31 33.348 2.117 0.700 0.787 0.933 0.333 CB 1.409 31 residues pruned to eliminate duplicates Z: 45 37.106 2.046 0.810 0.676 0.955 0.341 CB 1.346 45 residues pruned to eliminate duplicates Z: 33 30.941 2.052 0.735 0.794 0.906 0.406 CB 1.309 33 residues pruned to eliminate duplicates Z: 32 34.920 2.103 0.838 0.772 0.903 0.387 CB 1.412 32 residues pruned to eliminate duplicates Z: 48 34.917 2.040 0.640 0.708 0.915 0.511 CB 1.378 48 residues pruned to eliminate duplicates Z: 38 30.866 2.042 0.698 0.710 0.892 0.649 CB 1.356 38 residues pruned to eliminate duplicates Z: 73 43.929 2.047 0.646 0.716 0.931 0.500 CB 1.358 73 residues pruned to eliminate duplicates Z: 47 31.609 2.060 0.676 0.742 0.891 0.500 CB 1.220 47 residues pruned to eliminate duplicates Z: 36 35.788 2.077 0.778 0.735 0.971 0.486 CB 1.365 36 residues pruned to eliminate duplicates Z: 22 15.845 1.998 0.460 0.651 0.810 0.381 CB 1.272 22 residues pruned to eliminate duplicates Z: 25 20.189 2.002 0.600 0.572 0.833 0.458 CB 1.440 25 residues pruned to eliminate duplicates Z: 21 18.877 2.050 0.525 0.665 0.900 0.650 CB 1.288 21 residues pruned to eliminate duplicates Z: 87 36.628 1.991 0.636 0.621 0.837 0.488 CB 1.292 87 residues pruned to eliminate duplicates Z: 36 18.804 1.972 0.396 0.582 0.886 0.600 CB 1.205 36 residues pruned to eliminate duplicates Z: 17 9.922 1.646 0.584 0.444 0.812 0.375 CB 1.241 17 residues pruned to eliminate duplicates Z: 60 43.583 2.078 0.740 0.774 0.932 0.593 CB 1.322 60 residues pruned to eliminate duplicates Z: 20 22.059 1.967 0.914 0.720 0.895 0.526 CB 1.231 20 residues pruned to eliminate duplicates Z: 41 29.498 2.025 0.712 0.598 0.900 0.550 CB 1.362 41 residues pruned to eliminate duplicates Z: 14 14.470 1.904 0.583 0.635 0.846 0.615 CA 1.386 14 residues pruned to eliminate duplicates Z: 112 50.920 2.024 0.597 0.683 0.919 0.604 CB 1.376 112 residues pruned to eliminate duplicates Z: 26 28.353 2.118 0.599 0.695 0.960 0.640 CB 1.459 26 residues pruned to eliminate duplicates Z: 24 27.607 2.111 0.506 0.750 1.000 0.826 CA 1.448 24 residues pruned to eliminate duplicates Z: 40 24.119 2.069 0.345 0.597 0.923 0.667 CB 1.370 40 residues pruned to eliminate duplicates Z: 43 26.691 2.000 0.528 0.581 0.881 0.571 CB 1.416 43 residues pruned to eliminate duplicates Z: 50 25.446 2.008 0.340 0.617 0.898 0.633 CB 1.347 50 residues pruned to eliminate duplicates Z: 87 46.203 2.037 0.534 0.672 0.942 0.593 CB 1.443 87 residues pruned to eliminate duplicates Z: 15 14.294 1.978 0.449 0.717 0.929 0.643 CB 1.179 15 residues pruned to eliminate duplicates Z: 64 40.613 2.078 0.563 0.674 0.952 0.635 CB 1.409 64 residues pruned to eliminate duplicates Z: 87 49.526 2.041 0.663 0.680 0.930 0.605 CB 1.434 87 residues pruned to eliminate duplicates Z: 16 21.549 2.141 0.620 0.713 0.867 0.733 CA 1.526 16 residues pruned to eliminate duplicates Z: 23 23.981 2.228 0.369 0.747 0.955 0.818 CA 1.408 23 residues pruned to eliminate duplicates Z: 52 37.333 2.093 0.712 0.724 0.902 0.608 CB 1.322 52 residues pruned to eliminate duplicates Z: 83 55.001 2.119 0.730 0.721 0.927 0.549 CB 1.465 83 residues pruned to eliminate duplicates Z: 26 21.434 2.068 0.540 0.608 0.880 0.560 CB 1.380 26 residues pruned to eliminate duplicates Z: 106 52.850 2.040 0.666 0.722 0.914 0.486 CB 1.359 106 residues pruned to eliminate duplicates Z: 19 21.454 2.122 0.461 0.601 0.944 0.611 CB 1.568 19 residues pruned to eliminate duplicates Z: 49 32.695 2.084 0.561 0.666 0.938 0.562 CB 1.327 49 residues pruned to eliminate duplicates Z: 57 38.450 2.091 0.674 0.720 0.875 0.500 CB 1.376 57 residues pruned to eliminate duplicates Z: 22 18.260 2.066 0.587 0.549 0.857 0.476 CB 1.352 22 residues pruned to eliminate duplicates Z: 26 19.107 2.013 0.487 0.578 0.920 0.640 CB 1.287 26 residues pruned to eliminate duplicates Z: 75 43.290 2.013 0.668 0.669 0.946 0.649 CB 1.355 75 residues pruned to eliminate duplicates Z: 39 27.707 2.003 0.784 0.682 0.895 0.553 CB 1.190 39 residues pruned to eliminate duplicates Z: 117 54.237 2.038 0.674 0.684 0.948 0.560 CB 1.315 118 residues pruned to eliminate duplicates Z: 9 6.601 1.760 0.531 0.616 1.000 0.625 CB 0.776 9 residues pruned to eliminate duplicates Z: 27 14.983 1.939 0.479 0.456 0.923 0.538 CB 1.161 27 residues pruned to eliminate duplicates Z: 27 18.202 2.005 0.609 0.411 0.923 0.423 CB 1.315 27 residues pruned to eliminate duplicates Z: 27 23.676 2.015 0.846 0.617 0.962 0.462 CB 1.162 27 residues pruned to eliminate duplicates Z: 11 9.496 1.836 0.733 0.527 0.900 0.400 CB 1.022 11 residues pruned to eliminate duplicates Z: 60 38.770 2.043 0.737 0.672 0.915 0.475 CB 1.326 60 residues pruned to eliminate duplicates Z: 69 38.443 2.011 0.657 0.622 0.912 0.441 CB 1.369 69 residues pruned to eliminate duplicates Z: 73 42.684 2.068 0.609 0.679 0.931 0.597 CB 1.379 73 residues pruned to eliminate duplicates Z: 15 10.998 1.822 0.677 0.436 1.000 0.357 CB 1.028 15 residues pruned to eliminate duplicates Z: 26 20.558 2.004 0.805 0.629 0.920 0.320 CB 1.094 26 residues pruned to eliminate duplicates Z: 61 36.649 1.987 0.588 0.698 0.950 0.550 CB 1.317 61 residues pruned to eliminate duplicates Z: 20 18.893 1.960 0.414 0.758 0.895 0.579 CB 1.389 20 residues pruned to eliminate duplicates Z: 58 33.032 2.030 0.648 0.620 0.877 0.404 CB 1.331 58 residues pruned to eliminate duplicates Z: 62 32.349 2.021 0.561 0.602 0.885 0.574 CB 1.346 62 residues pruned to eliminate duplicates Z: 60 34.307 2.018 0.610 0.647 0.932 0.593 CB 1.286 60 residues pruned to eliminate duplicates Z: 119 49.003 2.020 0.672 0.652 0.881 0.441 CB 1.315 119 residues pruned to eliminate duplicates Z: 31 27.996 1.974 0.776 0.668 0.967 0.500 CB 1.291 31 residues pruned to eliminate duplicates Z: 35 34.529 2.033 0.723 0.743 0.971 0.618 CB 1.401 35 residues pruned to eliminate duplicates Z: 38 35.583 2.048 0.692 0.691 1.000 0.541 CB 1.417 38 residues pruned to eliminate duplicates Z: 108 52.649 2.053 0.716 0.681 0.935 0.495 CB 1.309 108 residues pruned to eliminate duplicates Z: 73 39.508 2.049 0.589 0.667 0.889 0.514 CB 1.378 73 residues pruned to eliminate duplicates Z: 58 33.390 1.958 0.563 0.645 0.912 0.579 CB 1.383 59 residues pruned to eliminate duplicates Z: 17 27.421 2.070 0.643 0.915 1.000 0.750 CB 1.425 17 residues pruned to eliminate duplicates Z: 36 28.101 2.010 0.657 0.685 0.886 0.486 CB 1.359 36 residues pruned to eliminate duplicates Z: 44 27.019 1.963 0.478 0.621 0.930 0.488 CB 1.362 44 residues pruned to eliminate duplicates Z: 32 23.339 1.958 0.593 0.630 0.903 0.484 CB 1.316 32 residues pruned to eliminate duplicates Z: 73 40.364 2.045 0.690 0.672 0.958 0.528 CB 1.225 73 residues pruned to eliminate duplicates Z: 49 27.559 1.980 0.661 0.635 0.833 0.458 CB 1.279 49 residues pruned to eliminate duplicates Z: 48 34.671 1.987 0.656 0.652 1.000 0.468 CB 1.334 48 residues pruned to eliminate duplicates Z: 48 38.481 2.011 0.669 0.733 0.936 0.553 CB 1.448 48 residues pruned to eliminate duplicates Z: 60 42.113 2.015 0.798 0.682 0.949 0.525 CB 1.349 60 residues pruned to eliminate duplicates Z: 52 38.393 2.044 0.559 0.687 0.961 0.529 CB 1.479 52 residues pruned to eliminate duplicates Z: 13 25.137 2.145 0.701 0.804 1.000 0.417 CB 1.525 13 residues pruned to eliminate duplicates Z: 51 35.749 2.030 0.491 0.694 0.940 0.600 CB 1.489 51 residues pruned to eliminate duplicates Z: 62 37.038 2.009 0.730 0.673 0.918 0.492 CB 1.268 62 residues pruned to eliminate duplicates Z: 75 42.156 2.032 0.628 0.650 0.932 0.635 CB 1.382 75 residues pruned to eliminate duplicates Z: 90 41.884 1.996 0.639 0.621 0.944 0.539 CB 1.283 90 residues pruned to eliminate duplicates Z: 44 27.531 2.003 0.573 0.661 0.884 0.558 CB 1.299 44 residues pruned to eliminate duplicates Z: 74 39.640 2.010 0.632 0.643 0.904 0.630 CB 1.368 74 residues pruned to eliminate duplicates Z: 18 16.421 1.901 0.434 0.660 0.941 0.588 CB 1.338 18 residues pruned to eliminate duplicates Z: 55 38.912 2.009 0.612 0.685 0.944 0.704 CB 1.462 55 residues pruned to eliminate duplicates Z: 79 47.572 2.034 0.735 0.699 0.949 0.564 CB 1.341 79 residues pruned to eliminate duplicates Z: 73 41.106 2.036 0.568 0.635 0.958 0.556 CB 1.395 73 residues pruned to eliminate duplicates Z: 45 32.911 1.997 0.623 0.685 0.932 0.500 CA 1.385 45 residues pruned to eliminate duplicates Z: 16 19.164 1.986 0.538 0.702 0.933 0.733 CA 1.444 16 residues pruned to eliminate duplicates Z: 16 21.317 1.995 0.557 0.719 1.000 0.800 CA 1.453 15 residues pruned to eliminate duplicates Z: 14 15.326 1.856 0.594 0.747 0.923 0.846 CA 1.248 14 residues pruned to eliminate duplicates Z: 52 39.771 2.037 0.667 0.699 0.941 0.549 CB 1.453 52 residues pruned to eliminate duplicates Z: 61 42.113 1.982 0.701 0.668 0.983 0.433 CB 1.405 61 residues pruned to eliminate duplicates Z: 11 22.548 1.888 0.980 0.865 1.000 0.300 CA 1.397 11 residues pruned to eliminate duplicates Z: 10 23.006 1.916 1.002 0.846 1.000 0.333 CA 1.485 10 residues pruned to eliminate duplicates Z: 11 20.222 1.933 0.892 0.867 0.900 0.300 CA 1.420 11 residues pruned to eliminate duplicates Z: 11 16.093 1.894 0.813 0.814 0.900 0.200 CA 1.253 11 residues pruned to eliminate duplicates Z: 29 28.055 1.932 0.687 0.735 1.000 0.643 CA 1.317 29 residues pruned to eliminate duplicates Z: 76 49.838 2.052 0.699 0.688 0.973 0.573 CB 1.427 76 residues pruned to eliminate duplicates Z: 52 35.001 2.027 0.592 0.630 0.941 0.451 CB 1.427 52 residues pruned to eliminate duplicates Z: 33 27.261 1.960 0.533 0.635 0.938 0.562 CB 1.507 31 residues pruned to eliminate duplicates Z: 15 21.729 1.908 0.732 0.893 0.929 0.786 CB 1.358 15 residues pruned to eliminate duplicates Z: 34 27.269 1.936 0.534 0.619 0.939 0.606 CB 1.521 33 residues pruned to eliminate duplicates Z: 14 26.109 2.003 0.704 0.930 1.000 0.692 CB 1.483 14 residues pruned to eliminate duplicates Z: 16 19.083 1.986 0.795 0.753 0.867 0.600 CB 1.273 16 residues pruned to eliminate duplicates Z: 34 26.982 1.924 0.447 0.634 1.000 0.636 CB 1.488 34 residues pruned to eliminate duplicates Z: 35 25.993 1.895 0.426 0.671 0.941 0.647 CA 1.496 35 residues pruned to eliminate duplicates Z: 20 16.402 1.867 0.395 0.712 0.895 0.684 CB 1.332 20 residues pruned to eliminate duplicates Z: 33 26.525 1.902 0.527 0.630 0.938 0.531 CA 1.524 35 residues pruned to eliminate duplicates Z: 15 26.567 1.937 0.817 0.920 1.000 0.429 CB 1.421 15 residues pruned to eliminate duplicates Z: 34 26.925 1.926 0.531 0.646 0.939 0.606 CA 1.476 34 residues pruned to eliminate duplicates Z: 15 25.508 1.946 0.787 0.913 0.929 0.786 CB 1.494 14 residues pruned to eliminate duplicates Z: 15 22.487 1.946 0.716 0.900 0.929 0.643 CB 1.384 15 residues pruned to eliminate duplicates Z: 21 17.103 1.767 0.474 0.579 0.950 0.600 CB 1.433 20 residues pruned to eliminate duplicates Z: 6 8.355 1.848 0.764 0.411 1.000 1.000 CA 1.258 6 residues pruned to eliminate duplicates Z: 18 16.377 1.860 0.375 0.615 1.000 0.824 CA 1.393 18 residues pruned to eliminate duplicates Z: 19 17.950 1.870 0.379 0.608 1.000 0.833 CA 1.481 19 residues pruned to eliminate duplicates Z: 19 15.941 1.791 0.522 0.564 1.000 0.722 CA 1.295 19 residues pruned to eliminate duplicates Z: 22 16.578 1.771 0.371 0.604 0.952 0.810 CA 1.418 22 residues pruned to eliminate duplicates Z: 10 17.869 1.865 0.542 0.861 1.000 0.667 CB 1.522 10 residues pruned to eliminate duplicates Z: 20 15.246 1.747 0.454 0.575 0.895 0.737 CB 1.432 20 residues pruned to eliminate duplicates Z: 21 18.814 1.782 0.591 0.544 1.000 0.750 CA 1.421 21 residues pruned to eliminate duplicates Z: 12 13.934 1.844 0.576 0.644 1.000 0.727 CA 1.264 12 residues pruned to eliminate duplicates Z: 21 14.569 1.737 0.458 0.495 1.000 0.550 CA 1.292 21 residues pruned to eliminate duplicates Z: 15 11.957 1.788 0.393 0.525 0.929 0.429 CA 1.349 15 residues pruned to eliminate duplicates Z: 31 20.496 1.812 0.467 0.535 0.967 0.467 CA 1.407 31 residues pruned to eliminate duplicates Z: 18 14.781 1.961 0.699 0.640 0.882 0.588 CB 1.069 18 residues pruned to eliminate duplicates Z: 12 8.179 2.024 0.423 0.353 0.818 0.364 CB 1.227 12 residues pruned to eliminate duplicates Z: 18 17.518 2.002 0.491 0.653 1.000 0.412 CB 1.234 19 residues pruned to eliminate duplicates Z: 8 6.530 2.169 0.434 0.462 0.714 0.286 CB 1.155 8 residues pruned to eliminate duplicates Z: 17 17.120 2.077 0.564 0.616 0.938 0.500 CB 1.260 17 residues pruned to eliminate duplicates Z: 19 15.997 1.953 0.664 0.621 0.889 0.500 CB 1.164 18 residues pruned to eliminate duplicates Z: 12 16.171 1.902 0.762 0.720 1.000 0.364 CA 1.193 12 residues pruned to eliminate duplicates Z: 18 14.531 1.991 0.386 0.602 0.941 0.588 CB 1.231 18 residues pruned to eliminate duplicates Z: 18 17.158 2.025 0.647 0.567 0.941 0.706 CB 1.243 20 residues pruned to eliminate duplicates Z: 11 13.588 2.010 0.592 0.686 0.900 0.500 CA 1.258 11 residues pruned to eliminate duplicates Z: 19 15.821 1.886 0.595 0.542 0.944 0.444 CB 1.259 18 residues pruned to eliminate duplicates Z: 9 11.369 1.807 0.645 0.782 0.875 0.750 CA 1.205 9 residues pruned to eliminate duplicates Z: 19 18.746 1.972 0.643 0.640 0.944 0.500 CB 1.267 18 residues pruned to eliminate duplicates Z: 11 20.768 2.041 0.895 0.800 1.000 0.700 CB 1.307 12 residues pruned to eliminate duplicates Z: 6 5.479 1.614 0.581 0.456 1.000 0.600 CA 1.005 6 residues pruned to eliminate duplicates Z: 15 11.294 1.843 0.464 0.349 1.000 0.714 CB 1.318 15 residues pruned to eliminate duplicates Z: 8 10.231 1.729 0.844 0.555 1.000 0.857 CB 1.150 10 residues pruned to eliminate duplicates Z: 8 7.516 1.702 0.626 0.532 0.857 0.857 CB 1.161 8 residues pruned to eliminate duplicates Z: 20 10.340 1.806 0.555 0.392 0.895 0.579 CB 1.059 33 residues pruned to eliminate duplicates Z: 14 9.722 1.812 0.604 0.344 0.923 0.769 CB 1.191 Z: 6 7.055 1.636 0.489 0.661 0.800 0.600 CA 1.394 Z: 18 19.472 1.993 0.483 0.832 1.000 0.706 CB 1.200 18 residues pruned to eliminate duplicates Z: 47 32.367 1.952 0.602 0.746 0.957 0.717 CB 1.280 47 residues pruned to eliminate duplicates Z: 17 18.554 1.919 0.588 0.806 0.938 0.750 CB 1.243 17 residues pruned to eliminate duplicates Z: 19 18.014 1.853 0.643 0.731 0.944 0.722 CB 1.199 19 residues pruned to eliminate duplicates Z: 17 17.925 1.973 0.593 0.792 0.875 0.562 CB 1.261 16 residues pruned to eliminate duplicates Z: 20 14.519 1.766 0.312 0.778 1.000 0.684 CB 1.125 20 residues pruned to eliminate duplicates Z: 15 22.668 2.084 0.692 0.926 0.929 0.714 CB 1.297 17 residues pruned to eliminate duplicates Z: 16 23.897 2.062 0.729 0.903 1.000 0.733 CB 1.233 16 residues pruned to eliminate duplicates Z: 21 22.376 1.982 0.664 0.742 1.000 0.650 CB 1.221 20 residues pruned to eliminate duplicates Z: 17 20.797 1.987 0.848 0.840 0.938 0.750 CB 1.127 17 residues pruned to eliminate duplicates Z: 17 22.101 2.013 0.787 0.816 1.000 0.688 CB 1.167 17 residues pruned to eliminate duplicates Z: 23 22.334 1.954 0.785 0.715 1.000 0.545 CB 1.123 23 residues pruned to eliminate duplicates Z: 33 29.211 1.962 0.753 0.785 0.969 0.562 CB 1.206 33 residues pruned to eliminate duplicates Z: 18 20.571 1.934 0.847 0.705 1.000 0.706 CB 1.159 18 residues pruned to eliminate duplicates Z: 21 18.321 1.986 0.623 0.753 0.900 0.600 CB 1.127 21 residues pruned to eliminate duplicates Z: 35 30.232 1.914 0.817 0.697 0.971 0.559 CB 1.283 35 residues pruned to eliminate duplicates Z: 34 33.154 1.943 0.786 0.759 1.000 0.515 CB 1.321 34 residues pruned to eliminate duplicates Z: 35 27.955 1.925 0.556 0.764 0.971 0.765 CB 1.305 35 residues pruned to eliminate duplicates Z: 34 30.957 1.942 0.680 0.764 0.970 0.697 CB 1.348 34 residues pruned to eliminate duplicates Z: 34 26.031 1.951 0.588 0.745 0.909 0.576 CB 1.292 34 residues pruned to eliminate duplicates Z: 14 19.278 1.913 0.699 0.705 1.000 0.615 CA 1.366 14 residues pruned to eliminate duplicates Z: 34 27.924 1.959 0.697 0.710 0.939 0.576 CB 1.286 34 residues pruned to eliminate duplicates Z: 12 27.720 2.001 1.009 0.918 1.000 0.455 CA 1.466 12 residues pruned to eliminate duplicates Z: 12 26.387 2.023 0.875 0.914 1.000 0.545 CA 1.484 12 residues pruned to eliminate duplicates Z: 17 18.684 1.900 0.779 0.677 0.812 0.562 CB 1.446 17 residues pruned to eliminate duplicates Z: 18 17.432 1.887 0.702 0.686 0.882 0.471 CB 1.258 18 residues pruned to eliminate duplicates Z: 10 21.166 1.976 0.874 0.924 0.889 0.444 CA 1.506 10 residues pruned to eliminate duplicates Z: 34 30.032 1.946 0.804 0.766 0.939 0.606 CB 1.252 34 residues pruned to eliminate duplicates Z: 42 31.736 1.974 0.586 0.769 0.927 0.512 CB 1.346 42 residues pruned to eliminate duplicates Z: 21 20.720 1.926 0.579 0.690 0.900 0.550 CA 1.423 21 residues pruned to eliminate duplicates Z: 36 28.051 1.951 0.628 0.744 0.914 0.629 CB 1.311 36 residues pruned to eliminate duplicates Z: 24 24.583 1.935 0.615 0.732 0.913 0.478 CA 1.458 24 residues pruned to eliminate duplicates Z: 13 11.900 1.841 0.051 0.740 1.000 0.750 CB 1.431 13 residues pruned to eliminate duplicates Z: 13 14.720 1.863 0.313 0.743 1.000 0.833 CB 1.397 13 residues pruned to eliminate duplicates Z: 14 12.462 1.830 0.299 0.689 0.923 0.846 CB 1.324 14 residues pruned to eliminate duplicates Z: 13 14.921 1.913 0.243 0.749 0.917 0.667 CB 1.581 13 residues pruned to eliminate duplicates Z: 15 15.993 1.792 0.546 0.677 0.929 0.786 N 1.412 15 residues pruned to eliminate duplicates Z: 14 14.761 1.863 0.290 0.707 0.923 0.846 CB 1.529 14 residues pruned to eliminate duplicates Z: 15 12.160 1.784 0.244 0.654 0.929 0.786 CB 1.368 15 residues pruned to eliminate duplicates Z: 13 19.879 1.922 0.511 0.754 1.000 0.750 CB 1.575 13 residues pruned to eliminate duplicates Z: 11 17.471 1.880 0.438 0.904 1.000 0.600 CB 1.457 10 residues pruned to eliminate duplicates Z: 10 20.215 2.023 0.616 0.887 1.000 0.333 CB 1.486 11 residues pruned to eliminate duplicates Z: 10 19.245 1.974 0.573 0.892 1.000 0.444 CB 1.484 10 residues pruned to eliminate duplicates Z: 15 8.594 1.765 0.514 0.326 0.929 0.643 CB 1.121 9 residues pruned to eliminate duplicates Z: 7 5.454 1.637 0.476 0.506 0.833 0.667 CA 1.099 7 residues pruned to eliminate duplicates Z: 11 7.022 1.926 0.386 0.287 0.900 0.500 CB 1.174 11 residues pruned to eliminate duplicates Z: 12 5.945 1.890 0.347 0.258 0.909 0.545 CB 1.022 12 residues pruned to eliminate duplicates Z: 10 7.725 2.081 0.424 0.310 0.889 0.556 CB 1.206 10 residues pruned to eliminate duplicates Z: 12 5.883 1.909 0.390 0.270 0.818 0.545 CB 1.061 12 residues pruned to eliminate duplicates Z: 11 7.123 1.996 0.544 0.320 0.900 0.500 CB 0.991 11 residues pruned to eliminate duplicates Z: 24 10.083 1.618 0.259 0.491 0.913 0.565 CB 1.141 34 residues pruned to eliminate duplicates Z: 12 13.560 1.769 0.334 0.701 1.000 0.818 CB 1.443 Z: 7 11.187 1.753 0.395 0.836 1.000 0.667 CA 1.398 7 residues pruned to eliminate duplicates Z: 12 15.380 1.806 0.501 0.694 1.000 0.818 CB 1.433 12 residues pruned to eliminate duplicates Z: 10 12.205 1.594 0.547 0.812 1.000 0.889 N 1.258 10 residues pruned to eliminate duplicates Z: 13 12.703 1.673 0.360 0.701 1.000 0.667 CB 1.342 13 residues pruned to eliminate duplicates Z: 13 11.121 1.692 0.489 0.636 0.917 0.583 CB 1.223 13 residues pruned to eliminate duplicates Z: 12 10.377 1.695 0.445 0.636 0.909 0.636 CB 1.237 12 residues pruned to eliminate duplicates Z: 13 11.432 1.686 0.339 0.710 1.000 0.500 CB 1.209 13 residues pruned to eliminate duplicates Z: 12 13.182 1.760 0.491 0.643 1.000 0.545 CB 1.325 12 residues pruned to eliminate duplicates Z: 25 25.442 1.998 0.917 0.647 0.875 0.500 CB 1.351 25 residues pruned to eliminate duplicates Z: 18 20.400 2.048 0.764 0.679 0.941 0.647 CB 1.235 18 residues pruned to eliminate duplicates Z: 19 21.061 2.001 0.801 0.639 1.000 0.500 CB 1.209 19 residues pruned to eliminate duplicates Z: 19 17.804 2.035 0.793 0.663 0.833 0.500 CB 1.187 19 residues pruned to eliminate duplicates Z: 35 25.840 1.937 0.649 0.690 0.941 0.765 CB 1.238 35 residues pruned to eliminate duplicates Z: 14 26.052 2.067 0.974 0.848 0.923 0.769 CA 1.423 14 residues pruned to eliminate duplicates Z: 35 26.406 1.999 0.654 0.696 0.941 0.735 CB 1.217 36 residues pruned to eliminate duplicates Z: 14 27.955 2.074 0.943 0.877 1.000 0.769 CB 1.398 14 residues pruned to eliminate duplicates Z: 16 22.973 2.123 0.854 0.789 0.867 0.600 CB 1.349 16 residues pruned to eliminate duplicates Z: 18 19.078 2.037 0.788 0.728 0.824 0.588 CB 1.257 18 residues pruned to eliminate duplicates Z: 17 26.249 2.158 0.837 0.746 0.938 0.375 CB 1.417 17 residues pruned to eliminate duplicates Z: 16 25.051 2.140 0.872 0.794 0.867 0.400 CB 1.439 16 residues pruned to eliminate duplicates Z: 17 24.468 2.082 1.137 0.736 0.875 0.312 CB 1.272 17 residues pruned to eliminate duplicates Z: 35 29.254 2.015 0.768 0.696 0.941 0.647 CB 1.252 34 residues pruned to eliminate duplicates Z: 16 24.238 2.036 0.931 0.823 0.933 0.400 CB 1.290 17 residues pruned to eliminate duplicates Z: 6 8.545 1.745 0.781 0.419 1.000 0.800 CA 1.339 6 residues pruned to eliminate duplicates Z: 37 23.963 1.913 0.604 0.650 0.972 0.667 CB 1.165 37 residues pruned to eliminate duplicates Z: 20 17.291 1.806 0.616 0.678 1.000 0.842 CB 1.154 20 residues pruned to eliminate duplicates Z: 29 23.331 1.970 0.665 0.658 0.964 0.607 CB 1.204 29 residues pruned to eliminate duplicates Z: 20 16.690 1.851 0.641 0.644 1.000 0.789 CB 1.102 20 residues pruned to eliminate duplicates Z: 20 16.616 1.774 0.494 0.684 1.000 0.789 CA 1.215 19 residues pruned to eliminate duplicates Z: 10 8.116 1.762 0.202 0.838 1.000 0.889 CB 0.955 10 residues pruned to eliminate duplicates Z: 21 14.351 1.814 0.664 0.600 0.900 0.800 CB 1.073 21 residues pruned to eliminate duplicates Z: 34 23.728 1.888 0.686 0.628 0.939 0.697 CB 1.225 33 residues pruned to eliminate duplicates Z: 11 10.390 1.750 0.353 0.841 1.000 0.600 CB 1.035 11 residues pruned to eliminate duplicates Z: 30 21.170 1.882 0.825 0.674 0.828 0.586 CB 1.178 30 residues pruned to eliminate duplicates Z: 37 22.854 1.909 0.627 0.638 0.917 0.583 CB 1.175 37 residues pruned to eliminate duplicates Z: 21 20.895 2.194 0.442 0.473 0.900 0.350 CB 1.686 21 residues pruned to eliminate duplicates Z: 24 21.638 2.172 0.409 0.495 0.913 0.522 CA 1.622 24 residues pruned to eliminate duplicates Z: 68 40.893 2.100 0.455 0.614 0.940 0.537 CA 1.561 65 residues pruned to eliminate duplicates Z: 10 16.823 2.090 0.673 0.614 0.889 0.444 CA 1.620 10 residues pruned to eliminate duplicates Z: 20 23.616 2.249 0.581 0.550 0.895 0.421 CA 1.623 20 residues pruned to eliminate duplicates Z: 65 44.046 2.138 0.607 0.624 0.922 0.484 CB 1.547 69 residues pruned to eliminate duplicates Z: 8 15.498 2.340 0.525 0.780 0.857 0.571 CA 1.495 8 residues pruned to eliminate duplicates Z: 19 24.376 2.332 0.593 0.501 0.889 0.500 CA 1.739 19 residues pruned to eliminate duplicates Z: 9 18.175 2.158 0.688 0.774 1.000 0.500 CA 1.384 9 residues pruned to eliminate duplicates Z: 17 13.644 2.068 0.544 0.364 0.875 0.375 CA 1.413 17 residues pruned to eliminate duplicates Z: 21 22.546 2.198 0.438 0.501 0.950 0.350 CA 1.678 21 residues pruned to eliminate duplicates Z: 69 37.690 2.078 0.487 0.607 0.897 0.559 CB 1.490 69 residues pruned to eliminate duplicates Z: 41 25.935 2.131 0.487 0.493 0.850 0.600 CB 1.533 41 residues pruned to eliminate duplicates Z: 20 21.945 2.255 0.484 0.490 0.895 0.421 CA 1.698 20 residues pruned to eliminate duplicates Z: 20 24.272 2.202 0.621 0.528 0.947 0.526 CA 1.601 20 residues pruned to eliminate duplicates Z: 69 41.252 2.099 0.567 0.607 0.912 0.544 CB 1.507 65 residues pruned to eliminate duplicates Z: 6 3.049 1.498 0.388 0.221 0.800 0.200 CB 1.136 6 residues pruned to eliminate duplicates Z: 19 27.695 2.333 0.575 0.544 1.000 0.611 CA 1.701 23 residues pruned to eliminate duplicates Z: 12 14.411 1.862 0.295 0.797 1.000 0.818 CB 1.389 12 residues pruned to eliminate duplicates Z: 46 30.569 2.076 0.360 0.684 0.978 0.667 CB 1.393 46 residues pruned to eliminate duplicates Z: 46 35.959 2.083 0.535 0.696 0.978 0.533 CB 1.434 46 residues pruned to eliminate duplicates Z: 10 11.137 1.938 0.156 0.876 0.889 0.556 CB 1.354 10 residues pruned to eliminate duplicates Z: 17 8.855 1.816 0.238 0.466 0.875 0.562 CB 1.165 17 residues pruned to eliminate duplicates Z: 46 33.686 2.075 0.541 0.685 0.933 0.578 CB 1.419 46 residues pruned to eliminate duplicates Z: 65 38.788 2.148 0.438 0.631 0.906 0.547 CB 1.532 65 residues pruned to eliminate duplicates Z: 46 31.118 2.075 0.339 0.702 0.956 0.689 CB 1.453 46 residues pruned to eliminate duplicates Z: 45 32.754 2.063 0.432 0.696 0.955 0.636 CA 1.464 45 residues pruned to eliminate duplicates Z: 47 31.408 2.019 0.432 0.695 0.957 0.674 CB 1.401 47 residues pruned to eliminate duplicates Z: 47 31.867 2.022 0.424 0.692 0.978 0.609 CB 1.400 47 residues pruned to eliminate duplicates Z: 34 28.644 2.034 0.490 0.659 0.970 0.636 CB 1.464 34 residues pruned to eliminate duplicates Z: 47 35.084 2.038 0.593 0.670 0.957 0.543 CB 1.423 47 residues pruned to eliminate duplicates Z: 47 32.926 2.044 0.563 0.687 0.913 0.609 CB 1.402 47 residues pruned to eliminate duplicates Z: 7 5.418 1.689 0.701 0.415 0.667 0.167 CA 1.263 7 residues pruned to eliminate duplicates Z: 46 34.216 2.051 0.558 0.651 0.956 0.511 CB 1.452 46 residues pruned to eliminate duplicates Z: 47 33.854 2.054 0.565 0.654 0.935 0.543 CB 1.440 47 residues pruned to eliminate duplicates Z: 37 33.580 2.078 0.648 0.680 0.944 0.500 CB 1.467 37 residues pruned to eliminate duplicates Z: 46 31.064 2.073 0.399 0.669 0.933 0.600 CB 1.464 46 residues pruned to eliminate duplicates Z: 47 30.860 2.039 0.403 0.641 0.978 0.543 CB 1.425 47 residues pruned to eliminate duplicates Z: 48 36.323 2.022 0.616 0.667 0.979 0.681 CB 1.420 48 residues pruned to eliminate duplicates Z: 38 32.465 2.080 0.601 0.659 0.919 0.622 CB 1.505 38 residues pruned to eliminate duplicates Z: 19 14.831 1.965 0.731 0.315 0.833 0.222 CA 1.513 19 residues pruned to eliminate duplicates Z: 35 28.252 2.039 0.597 0.615 0.941 0.500 CB 1.417 35 residues pruned to eliminate duplicates Z: 31 30.927 2.104 0.650 0.730 0.867 0.700 CB 1.526 31 residues pruned to eliminate duplicates Z: 31 31.208 2.097 0.679 0.737 0.867 0.500 CA 1.509 31 residues pruned to eliminate duplicates Z: 21 28.482 2.139 0.575 0.857 0.950 0.700 CB 1.467 21 residues pruned to eliminate duplicates Z: 32 32.837 2.059 0.638 0.754 0.935 0.548 CB 1.491 31 residues pruned to eliminate duplicates Z: 21 28.344 2.112 0.552 0.886 1.000 0.600 CB 1.395 21 residues pruned to eliminate duplicates Z: 45 34.628 2.078 0.551 0.674 0.932 0.545 CB 1.481 45 residues pruned to eliminate duplicates Z: 17 24.369 2.213 0.450 0.877 0.938 0.562 CB 1.470 17 residues pruned to eliminate duplicates Z: 31 31.919 2.104 0.661 0.758 0.900 0.533 CB 1.473 31 residues pruned to eliminate duplicates Z: 47 31.411 2.017 0.618 0.625 0.913 0.435 CB 1.382 47 residues pruned to eliminate duplicates Z: 46 36.492 2.056 0.648 0.684 0.956 0.511 CB 1.419 46 residues pruned to eliminate duplicates Z: 46 35.273 2.071 0.565 0.679 0.933 0.489 CB 1.475 46 residues pruned to eliminate duplicates Z: 45 35.859 2.065 0.640 0.701 0.932 0.545 CB 1.427 45 residues pruned to eliminate duplicates Z: 30 32.680 2.082 0.737 0.793 0.931 0.517 CB 1.394 30 residues pruned to eliminate duplicates Z: 12 27.112 2.186 0.816 0.917 1.000 0.455 CB 1.454 12 residues pruned to eliminate duplicates Z: 16 22.532 2.177 0.633 0.924 0.867 0.467 CB 1.326 16 residues pruned to eliminate duplicates Z: 47 32.533 2.021 0.641 0.662 0.957 0.478 CB 1.302 47 residues pruned to eliminate duplicates Z: 47 27.646 2.017 0.478 0.659 0.891 0.413 CB 1.324 47 residues pruned to eliminate duplicates Z: 22 25.648 2.025 0.865 0.823 0.905 0.286 CB 1.238 22 residues pruned to eliminate duplicates Z: 66 45.271 2.079 0.747 0.693 0.908 0.538 CB 1.428 68 residues pruned to eliminate duplicates Z: 25 32.298 2.036 0.781 0.853 0.958 0.708 CB 1.402 31 residues pruned to eliminate duplicates Z: 68 35.568 2.009 0.712 0.616 0.851 0.299 CB 1.330 70 residues pruned to eliminate duplicates Z: 21 33.812 2.117 0.896 0.926 0.950 0.700 CB 1.390 21 residues pruned to eliminate duplicates Z: 24 31.971 2.069 0.975 0.758 0.870 0.522 CB 1.491 24 residues pruned to eliminate duplicates Z: 22 30.339 2.039 0.697 0.901 1.000 0.714 CB 1.366 22 residues pruned to eliminate duplicates Z: 22 29.529 2.041 0.786 0.907 1.000 0.714 CB 1.257 21 residues pruned to eliminate duplicates Z: 23 35.028 2.081 0.827 0.929 1.000 0.727 CB 1.374 23 residues pruned to eliminate duplicates Z: 24 27.001 2.053 0.934 0.741 0.870 0.652 CB 1.314 24 residues pruned to eliminate duplicates Z: 69 39.533 2.041 0.708 0.673 0.868 0.426 CB 1.351 69 residues pruned to eliminate duplicates Z: 68 40.656 2.045 0.725 0.678 0.866 0.343 CB 1.381 68 residues pruned to eliminate duplicates Z: 26 32.516 2.054 0.930 0.794 0.960 0.520 CB 1.321 26 residues pruned to eliminate duplicates Z: 20 27.545 2.026 0.894 0.911 0.947 0.684 CB 1.232 20 residues pruned to eliminate duplicates Z: 67 41.319 2.045 0.798 0.671 0.879 0.424 CB 1.344 67 residues pruned to eliminate duplicates Z: 87 51.221 2.094 0.723 0.650 0.919 0.419 CB 1.450 86 residues pruned to eliminate duplicates Z: 22 33.390 2.088 0.835 0.938 1.000 0.524 CB 1.322 22 residues pruned to eliminate duplicates Z: 18 33.009 2.118 1.270 0.873 0.941 0.176 CB 1.289 18 residues pruned to eliminate duplicates Z: 26 30.775 2.010 0.995 0.785 0.960 0.200 CB 1.244 26 residues pruned to eliminate duplicates Z: 25 30.114 2.033 0.972 0.782 0.875 0.292 CB 1.367 26 residues pruned to eliminate duplicates Z: 22 28.736 2.089 0.932 0.927 0.810 0.429 CB 1.345 21 residues pruned to eliminate duplicates Z: 21 33.321 2.107 0.890 0.941 0.900 0.500 CB 1.443 21 residues pruned to eliminate duplicates Z: 25 29.592 2.012 0.974 0.779 0.875 0.250 CB 1.358 25 residues pruned to eliminate duplicates Z: 24 35.372 2.079 0.835 0.810 1.000 0.478 CB 1.477 24 residues pruned to eliminate duplicates Z: 26 29.171 1.983 0.912 0.768 0.920 0.200 CB 1.319 26 residues pruned to eliminate duplicates Z: 43 32.683 1.988 0.777 0.737 0.905 0.262 CB 1.276 43 residues pruned to eliminate duplicates Z: 26 27.746 2.029 0.976 0.824 0.880 0.160 CB 1.188 26 residues pruned to eliminate duplicates Z: 6 3.772 1.393 0.819 0.292 0.800 0.400 C 1.051 5 residues pruned to eliminate duplicates 485 residues left after pruning, divided into chains as follows: A: 9 B: 7 C: 24 D: 11 E: 14 F: 165 G: 35 H: 18 I: 14 J: 44 K: 8 L: 12 M: 36 N: 88 CC for partial structure against native data = 35.95 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.397, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.452, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.536, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.543, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.552, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.556, Connect. = 0.766 for dens.mod. cycle 6 = 0.300, Contrast = 0.561, Connect. = 0.767 for dens.mod. cycle 7 = 0.300, Contrast = 0.564, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 0.566, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.568, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3024 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 667 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 38.322 2.194 0.623 0.937 1.000 0.833 CB 1.529 B: 25 28.116 2.031 0.630 0.904 0.917 0.417 CB 1.347 C: 23 31.052 2.044 0.632 0.915 1.000 0.955 CB 1.402 D: 26 29.996 2.124 0.428 0.930 0.960 0.800 CA 1.442 26 residues pruned to eliminate duplicates E: 9 14.634 2.095 0.444 0.805 1.000 0.750 CA 1.310 F: 22 34.995 2.075 0.854 0.932 1.000 0.571 CA 1.386 G: 10 17.898 2.225 0.412 0.829 1.000 0.889 CB 1.429 H: 24 29.995 2.025 0.514 0.913 1.000 0.913 CA 1.443 24 residues pruned to eliminate duplicates I: 23 34.325 2.025 0.772 0.882 1.000 0.773 CB 1.475 23 residues pruned to eliminate duplicates J: 26 23.661 2.073 0.461 0.833 0.920 0.520 CB 1.274 26 residues pruned to eliminate duplicates K: 24 27.432 2.113 0.529 0.911 0.957 0.565 CB 1.311 24 residues pruned to eliminate duplicates L: 23 24.680 2.141 0.355 0.857 0.909 0.545 CB 1.470 23 residues pruned to eliminate duplicates M: 18 28.956 2.143 0.825 0.924 0.941 0.588 CA 1.339 18 residues pruned to eliminate duplicates N: 27 29.630 2.051 0.486 0.870 0.962 0.808 CA 1.447 26 residues pruned to eliminate duplicates O: 24 33.949 2.200 0.503 0.913 1.000 0.652 CA 1.515 24 residues pruned to eliminate duplicates P: 24 27.992 2.008 0.483 0.929 1.000 0.913 CA 1.372 22 residues pruned to eliminate duplicates Q: 23 24.001 2.009 0.551 0.892 0.909 0.727 CA 1.297 23 residues pruned to eliminate duplicates R: 22 33.052 2.120 0.601 0.942 1.000 0.905 CB 1.474 22 residues pruned to eliminate duplicates S: 15 24.738 2.031 0.521 0.944 1.000 1.000 CA 1.482 T: 20 24.993 2.150 0.394 0.893 0.947 0.579 CA 1.450 21 residues pruned to eliminate duplicates U: 13 15.808 2.118 0.333 0.901 0.917 0.833 CB 1.259 V: 22 32.255 2.096 0.605 0.943 1.000 0.810 CB 1.450 22 residues pruned to eliminate duplicates W: 20 20.558 2.109 0.312 0.867 0.895 0.632 CA 1.393 19 residues pruned to eliminate duplicates X: 23 28.861 2.034 0.593 0.921 1.000 0.818 CB 1.337 23 residues pruned to eliminate duplicates Y: 8 14.715 2.154 0.324 0.889 1.000 0.857 CA 1.404 8 residues pruned to eliminate duplicates Z: 8 12.719 2.155 0.477 0.845 0.857 0.571 CA 1.309 8 residues pruned to eliminate duplicates Z: 12 22.551 2.220 0.459 0.900 1.000 0.818 CB 1.500 Z: 14 26.971 2.067 0.671 0.931 1.000 0.923 CB 1.513 15 residues pruned to eliminate duplicates Z: 15 25.483 2.041 0.619 0.930 1.000 1.000 CB 1.441 14 residues pruned to eliminate duplicates Z: 14 18.052 2.000 0.337 0.881 1.000 0.769 CA 1.356 14 residues pruned to eliminate duplicates Z: 21 26.954 2.129 0.382 0.914 1.000 0.800 CA 1.448 21 residues pruned to eliminate duplicates Z: 10 14.051 1.963 0.226 0.893 1.000 0.667 CB 1.397 Z: 12 15.965 1.820 0.682 0.872 0.818 0.727 CA 1.400 Z: 12 15.657 2.103 0.656 0.769 0.909 0.727 CB 1.175 10 residues pruned to eliminate duplicates Z: 12 22.468 2.107 0.668 0.900 1.000 0.909 CB 1.376 Z: 14 11.076 2.021 0.220 0.869 0.846 0.769 CB 1.076 14 residues pruned to eliminate duplicates Z: 12 16.292 2.136 0.387 0.871 0.909 0.818 CB 1.331 12 residues pruned to eliminate duplicates Z: 15 26.086 2.020 0.652 0.926 1.000 0.929 CB 1.464 15 residues pruned to eliminate duplicates Z: 13 21.737 2.096 0.454 0.914 1.000 0.833 CB 1.456 12 residues pruned to eliminate duplicates Z: 25 38.742 2.174 0.676 0.944 1.000 0.625 CB 1.503 26 residues pruned to eliminate duplicates Z: 12 24.195 1.954 0.873 0.893 1.000 0.636 CA 1.431 Z: 14 14.026 2.033 0.168 0.885 0.923 0.846 CB 1.282 14 residues pruned to eliminate duplicates Z: 20 18.417 1.866 0.575 0.790 1.000 0.632 CB 1.114 15 residues pruned to eliminate duplicates Z: 11 17.532 1.914 0.658 0.899 0.900 0.700 CA 1.388 12 residues pruned to eliminate duplicates Z: 22 18.559 2.039 0.121 0.917 0.952 0.905 CB 1.313 22 residues pruned to eliminate duplicates Z: 9 12.841 2.085 0.459 0.816 1.000 0.500 CA 1.134 9 residues pruned to eliminate duplicates Z: 16 18.781 2.007 0.274 0.902 0.933 0.800 CB 1.449 Z: 12 25.065 2.079 0.858 0.815 1.000 0.545 CA 1.488 12 residues pruned to eliminate duplicates Z: 14 21.869 2.045 0.464 0.911 1.000 0.769 CA 1.436 14 residues pruned to eliminate duplicates Z: 22 29.514 2.088 0.428 0.939 1.000 0.952 CB 1.501 22 residues pruned to eliminate duplicates Z: 11 13.277 1.945 0.136 0.857 1.000 0.900 CB 1.401 10 residues pruned to eliminate duplicates Z: 15 23.050 2.026 0.411 0.936 1.000 1.000 CB 1.502 15 residues pruned to eliminate duplicates Z: 23 35.530 2.073 0.847 0.913 1.000 0.682 CB 1.399 23 residues pruned to eliminate duplicates Z: 12 25.415 2.158 0.747 0.915 1.000 0.636 CB 1.437 13 residues pruned to eliminate duplicates Z: 18 20.543 1.969 0.522 0.842 0.941 0.706 CB 1.316 18 residues pruned to eliminate duplicates Z: 23 30.293 2.076 0.645 0.928 1.000 0.864 CB 1.324 23 residues pruned to eliminate duplicates Z: 23 29.795 2.080 0.507 0.928 1.000 0.773 CB 1.419 23 residues pruned to eliminate duplicates Z: 14 22.350 2.009 0.552 0.900 1.000 0.846 CA 1.420 12 residues pruned to eliminate duplicates Z: 26 30.937 2.133 0.416 0.926 1.000 0.760 CB 1.438 26 residues pruned to eliminate duplicates Z: 25 25.792 2.081 0.464 0.897 0.917 0.542 CB 1.350 25 residues pruned to eliminate duplicates Z: 12 20.076 1.830 0.826 0.902 1.000 0.636 CA 1.292 11 residues pruned to eliminate duplicates Z: 12 19.871 2.166 0.325 0.923 1.000 0.818 CB 1.466 12 residues pruned to eliminate duplicates Z: 15 24.259 2.032 0.664 0.861 1.000 0.857 CB 1.409 Z: 11 12.063 1.827 0.428 0.839 0.800 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 11 11.842 1.706 0.261 0.830 1.000 0.700 CB 1.309 Z: 37 22.583 2.054 0.462 0.480 0.889 0.583 CB 1.440 9 residues pruned to eliminate duplicates Z: 9 11.614 2.198 0.202 0.879 1.000 0.875 CB 1.126 Z: 17 23.569 2.026 0.525 0.891 1.000 0.875 CB 1.371 16 residues pruned to eliminate duplicates Z: 56 34.428 2.129 0.527 0.592 0.855 0.527 CB 1.530 53 residues pruned to eliminate duplicates Z: 17 17.344 1.954 0.402 0.841 0.875 0.625 CB 1.349 17 residues pruned to eliminate duplicates Z: 23 31.704 2.080 0.698 0.895 0.955 0.682 CA 1.438 23 residues pruned to eliminate duplicates Z: 9 9.239 1.891 0.401 0.384 0.875 0.500 CA 1.594 Z: 21 35.150 2.141 0.852 0.950 1.000 0.750 CB 1.366 22 residues pruned to eliminate duplicates Z: 27 32.802 2.078 0.587 0.910 0.962 0.808 CA 1.439 26 residues pruned to eliminate duplicates Z: 13 13.309 2.067 0.153 0.873 1.000 0.750 CB 1.174 13 residues pruned to eliminate duplicates Z: 17 13.700 1.991 0.454 0.599 0.938 0.562 CB 1.148 Z: 17 25.377 1.975 0.690 0.888 0.938 0.875 CA 1.461 17 residues pruned to eliminate duplicates Z: 14 16.538 1.913 0.482 0.813 0.923 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 27 30.378 2.035 0.683 0.871 0.885 0.731 CB 1.435 27 residues pruned to eliminate duplicates Z: 21 19.246 1.894 0.425 0.835 0.950 0.800 CB 1.257 15 residues pruned to eliminate duplicates Z: 22 25.466 2.016 0.615 0.882 0.905 0.714 CB 1.365 22 residues pruned to eliminate duplicates Z: 24 24.016 2.082 0.331 0.902 0.913 0.478 CB 1.412 24 residues pruned to eliminate duplicates Z: 23 34.074 2.038 0.874 0.907 1.000 0.773 CA 1.352 23 residues pruned to eliminate duplicates Z: 11 26.819 2.200 0.952 0.875 1.000 0.900 CB 1.437 12 residues pruned to eliminate duplicates Z: 10 12.750 1.857 0.280 0.881 1.000 0.778 CA 1.295 10 residues pruned to eliminate duplicates Z: 21 22.990 2.095 0.350 0.908 0.950 0.700 CB 1.359 21 residues pruned to eliminate duplicates Z: 8 6.310 1.935 0.274 0.764 0.714 0.571 CA 1.072 Z: 12 21.473 2.164 0.524 0.849 1.000 0.909 CA 1.455 12 residues pruned to eliminate duplicates Z: 23 30.046 2.045 0.776 0.904 0.955 0.591 CB 1.316 23 residues pruned to eliminate duplicates Z: 9 12.454 2.070 0.365 0.831 0.875 0.375 CA 1.338 9 residues pruned to eliminate duplicates Z: 61 31.662 1.994 0.599 0.648 0.883 0.467 CB 1.264 66 residues pruned to eliminate duplicates Z: 11 18.487 1.909 0.628 0.842 1.000 0.700 CA 1.402 11 residues pruned to eliminate duplicates Z: 13 9.747 1.894 0.409 0.798 0.917 0.667 CB 0.886 12 residues pruned to eliminate duplicates Z: 15 5.766 1.640 0.701 0.331 0.643 0.500 CB 1.034 15 residues pruned to eliminate duplicates Z: 15 20.292 1.890 0.478 0.927 1.000 0.714 CB 1.360 15 residues pruned to eliminate duplicates Z: 11 13.536 2.149 0.057 0.908 1.000 0.800 CB 1.339 11 residues pruned to eliminate duplicates Z: 6 4.943 1.960 0.411 0.430 0.600 0.400 CA 1.432 6 residues pruned to eliminate duplicates Z: 23 35.370 2.064 0.862 0.931 1.000 0.682 CB 1.372 23 residues pruned to eliminate duplicates Z: 17 22.590 1.968 0.466 0.859 1.000 0.688 CA 1.441 17 residues pruned to eliminate duplicates Z: 8 10.687 1.972 0.523 0.800 0.857 0.714 CA 1.207 8 residues pruned to eliminate duplicates Z: 23 24.864 2.115 0.226 0.904 1.000 0.864 CA 1.457 23 residues pruned to eliminate duplicates Z: 6 10.118 1.836 0.299 0.849 1.000 0.800 CB 1.407 Z: 9 8.997 1.984 0.106 0.883 0.875 0.875 CB 1.198 9 residues pruned to eliminate duplicates Z: 10 16.234 2.006 0.307 0.846 1.000 0.556 CB 1.533 11 residues pruned to eliminate duplicates Z: 22 32.261 2.088 0.756 0.929 0.952 0.762 CB 1.412 22 residues pruned to eliminate duplicates Z: 9 7.776 1.991 0.317 0.390 0.875 0.625 CB 1.346 9 residues pruned to eliminate duplicates Z: 26 38.551 2.113 0.655 0.943 1.000 0.880 CB 1.528 26 residues pruned to eliminate duplicates Z: 10 16.002 2.126 0.510 0.552 1.000 0.556 N 1.579 10 residues pruned to eliminate duplicates Z: 23 31.561 2.056 0.776 0.905 0.955 0.636 CB 1.373 23 residues pruned to eliminate duplicates Z: 12 24.036 2.119 0.842 0.899 0.909 0.727 CB 1.460 12 residues pruned to eliminate duplicates Z: 22 25.198 2.115 0.239 0.877 1.000 0.714 CA 1.524 22 residues pruned to eliminate duplicates Z: 12 13.827 2.129 0.138 0.881 1.000 1.000 CB 1.246 12 residues pruned to eliminate duplicates Z: 11 10.351 2.044 0.359 0.809 0.800 0.500 CB 1.125 11 residues pruned to eliminate duplicates Z: 25 24.457 2.084 0.508 0.911 0.875 0.500 CB 1.286 25 residues pruned to eliminate duplicates Z: 23 37.237 2.096 0.995 0.924 0.955 0.545 CB 1.397 24 residues pruned to eliminate duplicates Z: 12 20.580 1.979 0.910 0.854 0.909 0.636 CA 1.333 12 residues pruned to eliminate duplicates Z: 17 18.838 1.959 0.245 0.892 1.000 0.812 CA 1.387 17 residues pruned to eliminate duplicates Z: 13 24.335 2.109 0.526 0.916 1.000 0.917 CA 1.542 13 residues pruned to eliminate duplicates Z: 7 7.468 1.804 0.200 0.854 1.000 0.833 CB 1.040 7 residues pruned to eliminate duplicates Z: 10 9.914 1.882 0.010 0.864 1.000 0.778 CA 1.275 10 residues pruned to eliminate duplicates Z: 36 32.308 2.079 0.553 0.706 0.943 0.571 CA 1.487 36 residues pruned to eliminate duplicates Z: 9 13.522 1.962 0.349 0.869 1.000 0.875 CB 1.319 Z: 23 26.339 2.037 0.561 0.898 0.955 0.682 CB 1.323 23 residues pruned to eliminate duplicates Z: 22 31.266 2.050 0.634 0.904 1.000 0.714 CB 1.451 22 residues pruned to eliminate duplicates Z: 8 13.443 2.050 0.533 0.796 1.000 0.571 CA 1.247 7 residues pruned to eliminate duplicates Z: 11 16.877 1.935 0.576 0.885 0.900 0.700 CA 1.404 11 residues pruned to eliminate duplicates Z: 26 31.496 2.088 0.530 0.883 1.000 0.760 CB 1.426 26 residues pruned to eliminate duplicates Z: 13 25.065 2.047 0.753 0.860 1.000 0.750 CA 1.482 13 residues pruned to eliminate duplicates Z: 15 25.847 1.960 0.749 0.942 1.000 0.714 CB 1.397 Z: 18 14.534 1.931 0.621 0.577 0.882 0.471 CB 1.184 17 residues pruned to eliminate duplicates Z: 48 30.977 2.072 0.550 0.621 0.872 0.574 CB 1.438 35 residues pruned to eliminate duplicates Z: 24 20.404 2.045 0.537 0.529 0.913 0.435 CB 1.442 24 residues pruned to eliminate duplicates Z: 18 17.226 1.999 0.485 0.563 0.941 0.647 CB 1.407 18 residues pruned to eliminate duplicates Z: 18 16.585 2.023 0.224 0.664 0.941 0.647 CA 1.483 18 residues pruned to eliminate duplicates Z: 20 24.718 2.063 0.542 0.926 1.000 0.895 CA 1.251 20 residues pruned to eliminate duplicates Z: 24 21.440 2.063 0.156 0.916 1.000 0.696 CB 1.325 24 residues pruned to eliminate duplicates Z: 15 27.117 2.066 1.004 0.917 1.000 1.000 CB 1.235 15 residues pruned to eliminate duplicates Z: 24 30.411 2.014 0.623 0.906 1.000 0.826 CA 1.380 23 residues pruned to eliminate duplicates Z: 10 21.729 1.926 1.024 0.831 1.000 0.667 CA 1.395 11 residues pruned to eliminate duplicates Z: 13 13.277 2.011 0.496 0.815 0.750 0.583 CB 1.292 13 residues pruned to eliminate duplicates Z: 27 26.141 1.905 0.623 0.748 1.000 0.808 CA 1.329 24 residues pruned to eliminate duplicates Z: 9 8.988 1.826 0.476 0.577 0.875 0.375 CB 1.251 9 residues pruned to eliminate duplicates Z: 19 27.649 2.158 0.616 0.929 0.944 0.778 CA 1.385 19 residues pruned to eliminate duplicates Z: 25 26.648 2.043 0.477 0.863 0.917 0.625 CB 1.443 25 residues pruned to eliminate duplicates Z: 26 27.801 2.112 0.392 0.897 0.960 0.720 CB 1.411 26 residues pruned to eliminate duplicates Z: 25 32.250 2.147 0.393 0.940 1.000 0.750 CB 1.528 25 residues pruned to eliminate duplicates Z: 11 12.127 1.937 0.711 0.503 1.000 0.900 CB 1.153 Z: 31 15.555 1.890 0.398 0.497 0.867 0.600 CB 1.243 31 residues pruned to eliminate duplicates Z: 18 19.119 1.949 0.338 0.836 0.941 0.647 CB 1.414 18 residues pruned to eliminate duplicates Z: 12 16.392 1.775 0.448 0.881 1.000 0.909 CB 1.393 12 residues pruned to eliminate duplicates Z: 14 4.615 1.727 0.115 0.321 0.615 0.462 CB 1.315 Z: 8 12.667 1.917 0.530 0.828 1.000 0.571 CA 1.228 8 residues pruned to eliminate duplicates Z: 17 25.309 2.039 0.574 0.912 0.938 0.812 CB 1.489 17 residues pruned to eliminate duplicates Z: 25 25.901 2.067 0.464 0.896 0.917 0.750 CB 1.365 25 residues pruned to eliminate duplicates Z: 9 9.594 1.654 0.447 0.889 1.000 1.000 CB 1.020 9 residues pruned to eliminate duplicates Z: 13 15.114 2.022 0.370 0.798 1.000 0.583 CB 1.213 13 residues pruned to eliminate duplicates Z: 7 4.696 1.737 -0.169 0.854 1.000 0.667 CB 0.981 6 residues pruned to eliminate duplicates Z: 17 13.406 1.917 0.030 0.885 1.000 0.750 CB 1.226 17 residues pruned to eliminate duplicates Z: 13 17.505 2.133 0.418 0.904 1.000 0.667 CB 1.190 13 residues pruned to eliminate duplicates Z: 13 17.897 1.978 0.745 0.870 1.000 0.917 CB 1.093 13 residues pruned to eliminate duplicates Z: 15 23.851 2.044 0.675 0.880 1.000 1.000 CB 1.349 15 residues pruned to eliminate duplicates Z: 13 26.673 2.148 0.665 0.943 1.000 0.833 CA 1.493 13 residues pruned to eliminate duplicates Z: 10 14.866 2.088 0.321 0.861 1.000 0.889 CA 1.320 Z: 24 33.693 1.999 0.744 0.915 1.000 0.783 CB 1.424 24 residues pruned to eliminate duplicates Z: 8 11.362 1.972 0.522 0.869 0.857 0.571 CB 1.220 8 residues pruned to eliminate duplicates Z: 19 23.403 1.954 0.572 0.819 0.944 0.556 CB 1.441 19 residues pruned to eliminate duplicates Z: 11 7.885 1.752 0.439 0.322 0.900 0.400 CB 1.337 11 residues pruned to eliminate duplicates Z: 18 25.304 1.914 0.618 0.879 1.000 0.647 CA 1.437 18 residues pruned to eliminate duplicates Z: 24 31.937 2.146 0.499 0.926 1.000 0.913 CA 1.452 24 residues pruned to eliminate duplicates Z: 15 24.996 2.064 0.675 0.890 1.000 1.000 CB 1.391 15 residues pruned to eliminate duplicates Z: 11 19.158 1.983 1.030 0.758 1.000 0.600 CB 1.196 11 residues pruned to eliminate duplicates Z: 24 32.902 2.125 0.623 0.895 0.957 0.783 CB 1.491 24 residues pruned to eliminate duplicates Z: 14 23.438 1.827 0.988 0.898 1.000 0.308 CB 1.280 14 residues pruned to eliminate duplicates Z: 10 22.320 2.009 0.738 0.907 1.000 0.556 CA 1.515 11 residues pruned to eliminate duplicates Z: 12 20.940 1.859 0.667 0.865 1.000 0.636 CB 1.492 10 residues pruned to eliminate duplicates Z: 8 11.141 1.703 0.430 0.906 1.000 1.000 CB 1.230 Z: 12 11.326 1.598 0.333 0.803 1.000 0.636 O 1.230 Z: 22 31.791 2.162 0.541 0.920 0.952 0.619 CB 1.539 22 residues pruned to eliminate duplicates Z: 10 13.810 2.116 0.208 0.912 1.000 0.889 CB 1.276 8 residues pruned to eliminate duplicates Z: 10 13.472 1.916 0.183 0.887 1.000 0.889 CB 1.428 10 residues pruned to eliminate duplicates Z: 28 13.888 1.808 0.313 0.455 0.963 0.556 CB 1.224 28 residues pruned to eliminate duplicates Z: 18 21.218 1.860 0.515 0.866 1.000 0.824 CA 1.338 18 residues pruned to eliminate duplicates Z: 24 27.925 2.099 0.351 0.912 1.000 0.913 CB 1.455 24 residues pruned to eliminate duplicates Z: 12 15.630 1.979 0.585 0.897 1.000 0.909 CA 1.076 11 residues pruned to eliminate duplicates Z: 13 14.218 2.009 0.172 0.900 1.000 0.833 CA 1.244 13 residues pruned to eliminate duplicates Z: 23 29.439 2.068 0.504 0.930 1.000 0.818 CB 1.411 23 residues pruned to eliminate duplicates Z: 13 17.585 1.968 0.653 0.827 0.917 0.500 CA 1.283 13 residues pruned to eliminate duplicates Z: 36 24.966 1.956 0.602 0.678 0.971 0.657 CB 1.177 16 residues pruned to eliminate duplicates Z: 22 20.053 1.968 0.369 0.915 0.952 0.905 CA 1.205 22 residues pruned to eliminate duplicates Z: 23 28.384 2.133 0.657 0.914 0.909 0.318 CB 1.332 23 residues pruned to eliminate duplicates Z: 12 23.348 1.821 1.007 0.914 1.000 0.636 CA 1.362 10 residues pruned to eliminate duplicates Z: 24 21.747 2.012 0.372 0.862 0.913 0.696 CB 1.321 24 residues pruned to eliminate duplicates Z: 46 27.954 2.008 0.424 0.657 0.911 0.600 CB 1.382 46 residues pruned to eliminate duplicates Z: 43 36.718 2.164 0.524 0.715 0.952 0.667 CA 1.485 41 residues pruned to eliminate duplicates Z: 11 16.050 1.774 0.591 0.876 0.900 0.300 CB 1.453 12 residues pruned to eliminate duplicates Z: 12 14.885 2.039 0.428 0.896 0.909 0.818 CA 1.214 12 residues pruned to eliminate duplicates Z: 8 12.716 1.993 0.373 0.844 1.000 1.000 CB 1.307 8 residues pruned to eliminate duplicates Z: 10 13.135 1.750 0.428 0.840 1.000 0.556 CB 1.307 10 residues pruned to eliminate duplicates Z: 9 14.443 1.752 0.569 0.860 1.000 0.625 N 1.366 8 residues pruned to eliminate duplicates Z: 9 7.732 1.796 0.471 0.540 0.875 0.375 CB 1.137 8 residues pruned to eliminate duplicates Z: 26 34.818 2.098 0.612 0.917 1.000 0.760 CA 1.453 26 residues pruned to eliminate duplicates Z: 12 22.165 1.920 0.659 0.919 1.000 0.909 CA 1.478 12 residues pruned to eliminate duplicates Z: 7 12.027 2.010 0.662 0.751 1.000 0.500 CA 1.175 7 residues pruned to eliminate duplicates Z: 17 22.287 2.012 0.648 0.907 1.000 0.875 CB 1.195 18 residues pruned to eliminate duplicates Z: 12 22.333 2.080 0.905 0.820 0.909 0.727 CA 1.416 13 residues pruned to eliminate duplicates Z: 6 6.579 1.790 0.213 0.830 0.800 0.800 CB 1.273 Z: 26 28.373 2.053 0.457 0.901 0.960 0.760 CA 1.411 26 residues pruned to eliminate duplicates Z: 9 8.126 1.929 0.585 0.420 0.875 0.625 CB 1.167 9 residues pruned to eliminate duplicates Z: 24 21.995 2.002 0.200 0.927 0.957 0.783 CA 1.399 24 residues pruned to eliminate duplicates Z: 20 19.614 2.107 0.539 0.529 0.895 0.421 CA 1.507 20 residues pruned to eliminate duplicates Z: 13 21.030 1.891 0.661 0.905 1.000 0.750 CB 1.376 13 residues pruned to eliminate duplicates Z: 71 38.211 2.059 0.452 0.607 0.943 0.543 CB 1.463 65 residues pruned to eliminate duplicates Z: 14 21.552 2.012 0.685 0.889 1.000 0.538 CB 1.270 14 residues pruned to eliminate duplicates Z: 11 14.934 1.874 0.251 0.900 1.000 0.800 CB 1.440 11 residues pruned to eliminate duplicates Z: 12 18.098 1.815 0.686 0.868 1.000 0.909 CA 1.303 12 residues pruned to eliminate duplicates Z: 11 9.476 1.768 0.091 0.860 1.000 0.700 CB 1.142 12 residues pruned to eliminate duplicates Z: 11 12.877 2.041 -0.112 0.917 1.000 1.000 CA 1.586 11 residues pruned to eliminate duplicates Z: 19 26.549 2.131 0.359 0.900 1.000 0.778 CB 1.544 19 residues pruned to eliminate duplicates Z: 19 18.891 1.959 0.655 0.658 0.889 0.833 CA 1.334 13 residues pruned to eliminate duplicates Z: 10 15.600 2.019 0.412 0.887 0.889 0.778 CB 1.480 10 residues pruned to eliminate duplicates Z: 23 26.379 2.093 0.421 0.884 0.955 0.682 CB 1.431 23 residues pruned to eliminate duplicates Z: 12 17.560 1.950 0.391 0.885 1.000 0.818 CA 1.409 12 residues pruned to eliminate duplicates Z: 37 14.922 1.826 0.517 0.641 0.833 0.472 CB 0.944 37 residues pruned to eliminate duplicates Z: 30 22.841 1.926 0.433 0.678 0.966 0.621 CA 1.351 30 residues pruned to eliminate duplicates Z: 19 19.620 2.171 0.563 0.483 0.944 0.278 CA 1.467 19 residues pruned to eliminate duplicates Z: 10 20.289 2.003 0.827 0.893 0.889 0.222 CB 1.492 10 residues pruned to eliminate duplicates Z: 6 4.625 1.607 0.023 0.593 1.000 0.600 CB 1.151 Z: 13 21.146 1.874 0.709 0.897 1.000 0.833 CA 1.364 12 residues pruned to eliminate duplicates Z: 11 17.597 1.991 0.816 0.799 1.000 0.700 CB 1.185 11 residues pruned to eliminate duplicates Z: 11 14.831 1.867 0.259 0.895 1.000 0.800 CB 1.430 11 residues pruned to eliminate duplicates Z: 10 15.476 1.754 0.663 0.832 1.000 0.556 O 1.328 10 residues pruned to eliminate duplicates Z: 14 29.766 2.086 0.730 0.929 1.000 0.923 CB 1.601 14 residues pruned to eliminate duplicates Z: 10 14.120 2.043 0.519 0.846 1.000 0.556 CB 1.127 9 residues pruned to eliminate duplicates Z: 17 17.563 1.890 0.444 0.847 0.938 0.875 CB 1.274 17 residues pruned to eliminate duplicates Z: 18 23.922 1.953 0.584 0.868 0.941 0.588 CB 1.457 18 residues pruned to eliminate duplicates Z: 12 16.536 1.791 0.566 0.838 0.909 0.545 O 1.462 11 residues pruned to eliminate duplicates Z: 12 19.067 2.183 0.276 0.892 1.000 0.818 CB 1.483 12 residues pruned to eliminate duplicates Z: 9 11.766 2.098 0.340 0.787 0.875 0.375 CA 1.314 9 residues pruned to eliminate duplicates Z: 11 15.479 1.873 0.618 0.883 0.900 0.600 CB 1.298 11 residues pruned to eliminate duplicates Z: 25 31.703 2.147 0.433 0.929 1.000 0.667 CB 1.472 25 residues pruned to eliminate duplicates Z: 12 13.905 2.162 0.365 0.882 0.818 0.636 CB 1.256 12 residues pruned to eliminate duplicates Z: 14 15.961 1.984 0.559 0.872 0.923 0.615 CB 1.130 14 residues pruned to eliminate duplicates Z: 26 23.083 1.877 0.587 0.723 0.920 0.800 CB 1.378 25 residues pruned to eliminate duplicates Z: 10 11.414 1.947 0.339 0.783 0.889 0.444 CB 1.280 9 residues pruned to eliminate duplicates Z: 11 12.117 1.861 0.268 0.851 0.900 0.900 CA 1.335 11 residues pruned to eliminate duplicates Z: 7 6.730 1.701 0.411 0.454 0.833 0.333 CA 1.440 7 residues pruned to eliminate duplicates Z: 7 7.958 2.083 -0.087 0.842 1.000 0.833 CB 1.272 7 residues pruned to eliminate duplicates Z: 16 21.567 2.059 0.538 0.849 0.867 0.467 CB 1.504 16 residues pruned to eliminate duplicates Z: 13 25.082 2.086 0.710 0.931 1.000 0.750 CA 1.417 13 residues pruned to eliminate duplicates Z: 11 10.909 2.131 0.079 0.867 1.000 0.900 CB 1.098 11 residues pruned to eliminate duplicates 6 0.859 1.534 -0.033 0.742 0.800 0.600 CB 0.261 ? Z: 25 31.879 2.136 0.531 0.885 1.000 0.750 CB 1.437 25 residues pruned to eliminate duplicates Z: 11 13.702 1.706 0.203 0.874 1.000 0.600 O 1.537 11 residues pruned to eliminate duplicates Z: 11 9.654 1.659 0.358 0.820 1.000 0.800 CB 1.027 11 residues pruned to eliminate duplicates Z: 16 19.810 1.879 0.644 0.916 1.000 1.000 CB 1.170 16 residues pruned to eliminate duplicates Z: 10 8.398 1.583 0.265 0.846 0.889 0.778 N 1.168 10 residues pruned to eliminate duplicates Z: 14 18.623 2.069 0.472 0.886 1.000 0.615 CB 1.224 13 residues pruned to eliminate duplicates Z: 15 27.968 2.057 0.617 0.926 1.000 0.929 CB 1.576 14 residues pruned to eliminate duplicates Z: 7 5.659 1.656 -0.081 0.863 1.000 0.833 CB 1.114 7 residues pruned to eliminate duplicates Z: 11 10.166 1.774 0.143 0.877 1.000 0.800 CB 1.152 11 residues pruned to eliminate duplicates Z: 18 18.822 1.932 0.797 0.712 0.882 0.824 CA 1.230 18 residues pruned to eliminate duplicates Z: 36 24.151 1.971 0.671 0.664 0.943 0.657 CB 1.129 36 residues pruned to eliminate duplicates Z: 25 30.640 2.127 0.498 0.900 1.000 0.708 CB 1.402 25 residues pruned to eliminate duplicates Z: 26 18.252 1.964 0.563 0.509 0.840 0.520 CA 1.403 26 residues pruned to eliminate duplicates Z: 25 32.668 1.967 1.098 0.897 0.958 0.542 CB 1.206 25 residues pruned to eliminate duplicates Z: 25 19.735 2.045 0.600 0.507 0.833 0.500 CA 1.468 27 residues pruned to eliminate duplicates Z: 11 19.371 1.989 0.935 0.827 1.000 0.800 CB 1.199 11 residues pruned to eliminate duplicates Z: 27 28.179 2.031 0.383 0.906 1.000 0.885 CA 1.400 27 residues pruned to eliminate duplicates Z: 22 32.493 2.178 0.494 0.911 1.000 0.762 CB 1.544 22 residues pruned to eliminate duplicates Z: 14 24.156 1.998 0.817 0.848 0.923 0.923 CA 1.483 14 residues pruned to eliminate duplicates Z: 9 11.514 1.724 0.383 0.899 1.000 1.000 CB 1.220 9 residues pruned to eliminate duplicates Z: 17 21.939 2.018 0.652 0.899 0.938 0.812 CA 1.254 17 residues pruned to eliminate duplicates Z: 11 13.610 1.798 0.347 0.891 1.000 0.800 CB 1.277 11 residues pruned to eliminate duplicates Z: 16 22.902 1.878 0.860 0.868 1.000 0.667 CB 1.238 16 residues pruned to eliminate duplicates Z: 12 17.788 1.824 0.578 0.851 1.000 0.545 CA 1.379 12 residues pruned to eliminate duplicates Z: 23 31.492 2.021 0.608 0.930 1.000 0.864 CB 1.444 23 residues pruned to eliminate duplicates Z: 10 14.839 1.827 0.340 0.810 1.000 0.667 CA 1.542 10 residues pruned to eliminate duplicates Z: 12 20.163 1.806 0.860 0.898 1.000 0.727 CA 1.295 12 residues pruned to eliminate duplicates Z: 11 18.023 2.020 0.797 0.837 1.000 0.900 CB 1.174 11 residues pruned to eliminate duplicates Z: 9 12.123 1.990 0.488 0.795 1.000 0.875 CA 1.118 9 residues pruned to eliminate duplicates Z: 17 14.740 1.638 0.489 0.838 0.938 0.625 CA 1.204 17 residues pruned to eliminate duplicates Z: 24 19.450 2.047 0.383 0.877 0.826 0.739 CB 1.259 24 residues pruned to eliminate duplicates Z: 22 14.142 1.724 0.861 0.554 0.762 0.619 CB 1.198 22 residues pruned to eliminate duplicates Z: 18 14.364 1.934 0.464 0.619 0.882 0.647 CA 1.246 13 residues pruned to eliminate duplicates Z: 22 31.911 2.084 0.794 0.925 0.952 0.619 CB 1.373 22 residues pruned to eliminate duplicates Z: 7 3.259 1.577 0.435 0.249 0.833 0.500 CB 0.941 Z: 17 26.979 2.028 0.668 0.874 1.000 0.688 CB 1.451 17 residues pruned to eliminate duplicates Z: 24 33.143 1.980 1.037 0.929 0.913 0.609 CB 1.313 23 residues pruned to eliminate duplicates Z: 27 32.519 2.023 0.705 0.874 0.962 0.423 CB 1.400 26 residues pruned to eliminate duplicates Z: 7 11.698 1.676 1.094 0.840 1.000 0.833 CB 1.015 7 residues pruned to eliminate duplicates Z: 8 9.444 1.961 0.423 0.431 1.000 0.714 CB 1.374 8 residues pruned to eliminate duplicates Z: 7 8.242 1.638 0.229 0.858 1.000 1.000 CA 1.231 6 residues pruned to eliminate duplicates Z: 7 8.530 1.656 0.326 0.860 1.000 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 22 27.782 2.025 0.599 0.924 0.952 0.810 CB 1.380 22 residues pruned to eliminate duplicates Z: 15 19.363 1.969 0.711 0.878 1.000 0.571 CB 1.115 15 residues pruned to eliminate duplicates Z: 7 6.824 1.871 -0.160 0.823 1.000 0.667 CB 1.339 Z: 10 18.971 2.224 0.319 0.925 1.000 1.000 CB 1.513 10 residues pruned to eliminate duplicates Z: 17 18.027 1.959 0.373 0.847 0.938 0.688 CB 1.326 17 residues pruned to eliminate duplicates Z: 10 23.402 1.993 1.004 0.929 1.000 0.778 CA 1.366 10 residues pruned to eliminate duplicates Z: 12 10.506 1.693 0.265 0.885 1.000 0.727 CB 1.068 11 residues pruned to eliminate duplicates Z: 8 10.508 1.934 0.596 0.492 0.857 0.714 CA 1.514 8 residues pruned to eliminate duplicates Z: 13 11.430 1.862 0.234 0.748 1.000 0.833 CB 1.150 13 residues pruned to eliminate duplicates Z: 11 16.687 2.064 0.676 0.883 0.900 0.500 CB 1.226 11 residues pruned to eliminate duplicates Z: 50 32.759 2.086 0.429 0.647 0.939 0.531 CB 1.457 50 residues pruned to eliminate duplicates Z: 16 22.858 2.019 0.668 0.889 1.000 0.667 CB 1.262 16 residues pruned to eliminate duplicates Z: 15 11.249 1.685 0.669 0.396 1.000 0.571 CB 1.192 15 residues pruned to eliminate duplicates Z: 12 14.082 1.923 0.424 0.891 1.000 0.909 CB 1.114 12 residues pruned to eliminate duplicates Z: 20 12.010 1.982 0.518 0.410 0.789 0.474 CA 1.275 20 residues pruned to eliminate duplicates Z: 25 25.018 2.058 0.563 0.914 0.875 0.375 CB 1.283 25 residues pruned to eliminate duplicates Z: 12 23.943 2.118 0.681 0.894 1.000 0.818 CB 1.455 12 residues pruned to eliminate duplicates Z: 22 30.889 2.067 0.707 0.930 0.952 0.714 CB 1.403 22 residues pruned to eliminate duplicates Z: 42 23.627 1.883 0.562 0.542 0.902 0.537 CB 1.334 35 residues pruned to eliminate duplicates Z: 17 20.644 1.970 0.457 0.892 0.938 0.500 CA 1.378 17 residues pruned to eliminate duplicates Z: 11 11.109 1.783 0.623 0.534 1.000 0.800 CB 1.174 11 residues pruned to eliminate duplicates Z: 36 22.670 1.933 0.680 0.736 0.886 0.343 CB 1.078 36 residues pruned to eliminate duplicates Z: 18 24.553 1.901 0.688 0.877 0.941 0.647 CA 1.433 18 residues pruned to eliminate duplicates Z: 9 4.130 1.612 -0.170 0.427 1.000 0.625 CB 1.177 12 residues pruned to eliminate duplicates Z: 25 18.980 2.067 0.454 0.470 0.875 0.625 CA 1.518 25 residues pruned to eliminate duplicates Z: 18 30.778 2.051 0.852 0.935 0.941 0.588 CB 1.456 18 residues pruned to eliminate duplicates Z: 14 25.811 2.002 1.040 0.896 1.000 0.923 CB 1.255 14 residues pruned to eliminate duplicates Z: 11 12.971 1.910 0.810 0.795 0.800 0.400 CB 1.145 10 residues pruned to eliminate duplicates Z: 11 19.757 2.026 0.835 0.881 1.000 0.600 CB 1.217 11 residues pruned to eliminate duplicates Z: 23 25.974 2.047 0.471 0.900 1.000 0.773 CA 1.313 23 residues pruned to eliminate duplicates Z: 6 3.685 1.511 0.611 0.634 0.800 0.800 N 0.746 Z: 9 7.124 1.812 -0.022 0.858 1.000 0.625 CB 1.047 9 residues pruned to eliminate duplicates Z: 10 8.631 1.699 0.244 0.857 0.889 0.778 CB 1.129 10 residues pruned to eliminate duplicates Z: 14 18.535 1.951 0.526 0.906 1.000 0.769 CA 1.228 14 residues pruned to eliminate duplicates Z: 18 16.381 1.792 0.393 0.831 0.941 0.588 CA 1.270 18 residues pruned to eliminate duplicates Z: 12 23.596 1.904 0.811 0.923 1.000 0.909 CA 1.450 14 residues pruned to eliminate duplicates Z: 6 5.960 1.625 0.425 0.453 1.000 0.600 CB 1.208 Z: 37 24.067 1.981 0.671 0.502 0.917 0.528 CB 1.319 40 residues pruned to eliminate duplicates Z: 6 10.340 1.738 0.402 0.864 1.000 1.000 CA 1.391 6 residues pruned to eliminate duplicates Z: 22 34.343 2.082 0.735 0.922 1.000 0.667 CB 1.458 22 residues pruned to eliminate duplicates Z: 6 12.296 1.826 0.589 0.882 1.000 1.000 CB 1.370 6 residues pruned to eliminate duplicates Z: 6 5.700 1.506 0.599 0.779 0.800 0.600 CA 1.034 6 residues pruned to eliminate duplicates Z: 9 12.854 2.074 0.329 0.868 1.000 0.875 CB 1.205 9 residues pruned to eliminate duplicates Z: 47 25.301 1.976 0.530 0.613 0.891 0.587 CB 1.244 47 residues pruned to eliminate duplicates Z: 10 17.377 1.996 0.638 0.908 0.889 0.556 CB 1.416 11 residues pruned to eliminate duplicates Z: 18 14.104 1.811 0.562 0.665 0.941 0.647 CA 1.102 18 residues pruned to eliminate duplicates Z: 38 21.491 1.899 0.627 0.645 0.892 0.541 CB 1.120 38 residues pruned to eliminate duplicates Z: 10 11.858 1.715 0.406 0.856 1.000 0.778 CB 1.209 10 residues pruned to eliminate duplicates Z: 9 5.668 1.690 0.224 0.870 0.875 0.625 CB 0.808 9 residues pruned to eliminate duplicates Z: 7 4.860 1.427 0.472 0.867 1.000 0.833 CB 0.691 Z: 10 5.168 1.501 0.510 0.434 0.778 0.444 CB 1.046 10 residues pruned to eliminate duplicates Z: 11 15.758 1.816 0.718 0.900 1.000 0.700 CB 1.140 11 residues pruned to eliminate duplicates 6 0.788 1.294 0.370 0.310 1.000 0.400 CB 0.245 ? Z: 7 3.868 1.509 0.355 0.382 1.000 0.500 C 0.875 5 residues pruned to eliminate duplicates Z: 12 13.903 1.706 0.588 0.890 1.000 0.727 CB 1.113 12 residues pruned to eliminate duplicates Z: 14 25.752 2.053 0.644 0.914 1.000 0.615 CB 1.496 14 residues pruned to eliminate duplicates Z: 12 10.828 1.692 0.289 0.902 1.000 0.909 CB 1.068 12 residues pruned to eliminate duplicates Z: 6 6.649 1.517 0.500 0.798 0.800 0.800 CB 1.258 5 residues pruned to eliminate duplicates Z: 24 30.954 2.008 0.776 0.900 0.957 0.478 CB 1.352 24 residues pruned to eliminate duplicates Z: 11 18.666 1.864 0.838 0.893 1.000 0.900 CA 1.236 11 residues pruned to eliminate duplicates Z: 9 18.409 1.844 0.682 0.876 1.000 0.625 CB 1.526 9 residues pruned to eliminate duplicates Z: 6 3.546 1.928 0.018 0.437 0.800 0.600 CB 1.078 Z: 13 17.025 1.979 0.438 0.854 0.917 0.583 CB 1.392 13 residues pruned to eliminate duplicates Z: 10 14.447 2.004 0.596 0.882 0.889 0.333 CB 1.226 10 residues pruned to eliminate duplicates Z: 6 4.713 1.548 0.548 0.378 1.000 0.600 CB 1.002 Z: 23 36.668 2.083 0.809 0.954 1.000 0.682 CB 1.427 23 residues pruned to eliminate duplicates Z: 12 20.221 2.019 0.849 0.917 1.000 0.545 CB 1.152 12 residues pruned to eliminate duplicates Z: 13 22.020 2.028 0.595 0.910 1.000 0.750 CB 1.394 13 residues pruned to eliminate duplicates Z: 44 27.084 2.017 0.487 0.548 0.930 0.535 CB 1.412 44 residues pruned to eliminate duplicates Z: 13 13.986 2.031 0.473 0.878 0.917 0.667 CB 1.069 13 residues pruned to eliminate duplicates Z: 12 20.702 2.054 0.387 0.892 1.000 0.727 CB 1.574 12 residues pruned to eliminate duplicates Z: 7 5.956 1.540 0.823 0.630 0.667 0.667 CB 1.150 Z: 16 25.135 1.968 0.802 0.894 1.000 0.733 CA 1.313 16 residues pruned to eliminate duplicates Z: 24 29.797 2.096 0.407 0.930 1.000 0.913 CB 1.474 24 residues pruned to eliminate duplicates Z: 7 2.101 1.270 0.242 0.386 0.667 0.500 C 0.920 Z: 12 18.710 2.150 0.360 0.844 1.000 0.545 CB 1.437 12 residues pruned to eliminate duplicates Z: 9 15.050 1.980 0.701 0.910 1.000 0.375 CB 1.120 9 residues pruned to eliminate duplicates 6 1.444 1.460 0.378 0.291 0.600 0.600 CA 0.676 ? Z: 23 35.856 2.077 1.009 0.913 0.955 0.591 CB 1.358 23 residues pruned to eliminate duplicates Z: 25 23.829 2.019 0.638 0.560 0.917 0.542 CA 1.513 25 residues pruned to eliminate duplicates Z: 11 18.268 2.038 0.793 0.869 1.000 0.500 CB 1.154 11 residues pruned to eliminate duplicates Z: 23 39.916 2.085 1.020 0.931 1.000 0.818 CB 1.411 24 residues pruned to eliminate duplicates Z: 10 18.954 2.041 0.609 0.840 1.000 0.778 CA 1.436 10 residues pruned to eliminate duplicates Z: 7 8.611 1.643 0.233 0.858 1.000 0.667 CA 1.277 7 residues pruned to eliminate duplicates Z: 6 3.397 1.432 -0.030 0.617 1.000 0.800 CB 0.980 Z: 7 6.523 1.670 0.773 0.881 0.833 0.667 CB 0.782 7 residues pruned to eliminate duplicates Z: 25 28.104 2.115 0.424 0.887 0.958 0.667 CA 1.433 25 residues pruned to eliminate duplicates Z: 7 4.064 1.667 0.312 0.821 0.833 0.500 CB 0.689 7 residues pruned to eliminate duplicates Z: 23 27.739 1.977 0.637 0.874 0.955 0.864 CA 1.394 23 residues pruned to eliminate duplicates Z: 11 14.571 1.887 0.312 0.901 1.000 0.500 CB 1.328 10 residues pruned to eliminate duplicates Z: 6 5.059 1.405 0.718 0.785 1.000 0.800 CB 0.729 7 residues pruned to eliminate duplicates Z: 8 8.444 1.702 0.495 0.477 1.000 0.429 CB 1.284 8 residues pruned to eliminate duplicates Z: 17 20.366 1.823 0.688 0.879 0.938 0.875 CA 1.280 17 residues pruned to eliminate duplicates Z: 11 12.286 1.778 0.539 0.890 1.000 0.400 CB 1.021 11 residues pruned to eliminate duplicates 7 1.922 1.308 0.023 0.245 0.833 0.667 CB 0.945 ? Z: 15 21.755 1.849 0.856 0.809 0.929 0.500 CA 1.394 15 residues pruned to eliminate duplicates Z: 21 13.619 1.881 0.514 0.498 0.850 0.550 CB 1.261 21 residues pruned to eliminate duplicates Z: 14 8.161 1.618 0.384 0.453 1.000 0.769 CB 1.061 14 residues pruned to eliminate duplicates Z: 8 6.597 1.881 0.066 0.853 1.000 1.000 CB 0.919 8 residues pruned to eliminate duplicates Z: 20 17.695 1.889 0.645 0.659 0.895 0.579 CB 1.260 16 residues pruned to eliminate duplicates Z: 10 7.667 1.738 0.056 0.912 1.000 1.000 CB 0.986 10 residues pruned to eliminate duplicates Z: 8 13.666 1.941 0.683 0.811 1.000 0.571 CB 1.206 8 residues pruned to eliminate duplicates Z: 11 7.324 1.708 -0.005 0.847 1.000 0.800 CB 1.011 11 residues pruned to eliminate duplicates Z: 12 11.838 1.593 0.526 0.751 0.909 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 19 25.862 1.973 0.601 0.860 1.000 0.833 CA 1.420 19 residues pruned to eliminate duplicates Z: 23 39.708 2.042 1.076 0.949 1.000 0.636 CB 1.378 24 residues pruned to eliminate duplicates Z: 7 7.867 2.058 0.259 0.758 0.833 0.500 CA 1.182 7 residues pruned to eliminate duplicates Z: 7 6.207 1.566 0.307 0.831 1.000 0.833 CB 0.929 7 residues pruned to eliminate duplicates Z: 11 5.150 1.600 0.002 0.422 1.000 0.600 N 1.102 Z: 12 9.708 1.607 0.347 0.815 0.909 0.636 CB 1.131 12 residues pruned to eliminate duplicates Z: 15 20.824 1.851 0.794 0.795 0.929 0.714 CB 1.393 16 residues pruned to eliminate duplicates Z: 64 36.309 1.992 0.555 0.667 0.937 0.619 CB 1.351 64 residues pruned to eliminate duplicates Z: 12 15.939 2.015 0.400 0.885 1.000 0.818 CB 1.230 12 residues pruned to eliminate duplicates Z: 7 2.194 1.326 0.458 0.459 0.833 0.333 CB 0.580 Z: 6 6.537 1.770 0.027 0.838 1.000 0.800 CB 1.202 6 residues pruned to eliminate duplicates Z: 26 37.434 2.132 0.636 0.934 1.000 0.680 CB 1.497 26 residues pruned to eliminate duplicates Z: 11 15.801 1.900 0.433 0.883 1.000 0.800 CA 1.327 11 residues pruned to eliminate duplicates Z: 35 32.738 2.091 0.590 0.743 0.971 0.588 CA 1.400 35 residues pruned to eliminate duplicates Z: 12 23.304 2.132 0.556 0.897 1.000 0.727 CB 1.516 12 residues pruned to eliminate duplicates Z: 12 11.294 1.809 0.825 0.442 1.000 0.727 CB 1.096 12 residues pruned to eliminate duplicates Z: 19 13.083 1.784 0.306 0.650 0.889 0.611 CB 1.295 19 residues pruned to eliminate duplicates 6 1.626 1.237 0.804 0.299 0.600 0.600 C 0.679 ? Z: 6 3.158 1.319 0.272 0.456 1.000 0.800 O 0.881 5 residues pruned to eliminate duplicates Z: 7 3.006 1.322 0.174 0.473 0.833 0.667 C 0.975 6 1.833 1.563 -0.168 0.462 0.600 0.600 CB 1.092 ? Z: 9 8.358 1.655 0.461 0.821 1.000 0.875 CB 0.926 9 residues pruned to eliminate duplicates Z: 24 17.050 2.011 0.548 0.442 0.870 0.565 CA 1.394 24 residues pruned to eliminate duplicates Z: 10 5.490 1.687 0.479 0.292 0.889 0.444 CB 1.041 Z: 12 17.544 2.070 0.595 0.880 0.818 0.636 CB 1.420 12 residues pruned to eliminate duplicates Z: 11 17.083 1.990 0.629 0.855 1.000 0.700 CB 1.230 11 residues pruned to eliminate duplicates Z: 9 13.698 1.714 0.893 0.882 1.000 0.500 CB 1.080 9 residues pruned to eliminate duplicates Z: 10 9.678 1.900 0.078 0.888 1.000 0.889 CB 1.135 10 residues pruned to eliminate duplicates Z: 10 8.341 1.848 0.256 0.837 0.889 0.667 CB 1.009 10 residues pruned to eliminate duplicates Z: 13 11.353 1.856 0.502 0.584 0.917 0.500 CB 1.183 13 residues pruned to eliminate duplicates Z: 24 11.166 1.808 0.265 0.438 0.957 0.783 CB 1.134 24 residues pruned to eliminate duplicates Z: 8 8.946 1.965 0.568 0.421 1.000 1.000 CB 1.191 8 residues pruned to eliminate duplicates Z: 23 38.365 2.096 1.019 0.947 0.955 0.455 CB 1.399 22 residues pruned to eliminate duplicates Z: 9 9.625 1.537 0.718 0.687 0.875 0.625 N 1.240 9 residues pruned to eliminate duplicates Z: 9 5.282 1.621 0.530 0.258 0.875 0.500 CA 1.135 Z: 8 4.715 1.416 0.264 0.824 0.857 0.857 CB 0.878 8 residues pruned to eliminate duplicates Z: 9 15.594 1.985 0.722 0.699 1.000 0.375 CB 1.345 10 residues pruned to eliminate duplicates Z: 6 6.006 1.558 0.544 0.623 0.800 0.600 CB 1.242 6 residues pruned to eliminate duplicates Z: 9 18.752 2.100 0.882 0.906 1.000 0.500 CB 1.193 9 residues pruned to eliminate duplicates Z: 8 13.686 2.116 0.426 0.890 0.857 0.429 CA 1.439 8 residues pruned to eliminate duplicates Z: 6 2.019 1.268 0.538 0.410 0.600 0.400 CB 0.848 Z: 9 6.573 1.576 0.275 0.675 0.875 0.625 CB 1.125 9 residues pruned to eliminate duplicates Z: 7 5.540 1.331 0.829 0.808 0.667 0.667 CA 1.065 7 residues pruned to eliminate duplicates Z: 8 3.940 1.928 0.208 0.864 0.857 0.429 CB 0.547 8 residues pruned to eliminate duplicates Z: 13 20.270 2.076 0.369 0.911 1.000 0.667 CA 1.460 13 residues pruned to eliminate duplicates Z: 7 7.558 1.557 0.303 0.880 1.000 0.667 CA 1.103 7 residues pruned to eliminate duplicates 6 1.656 1.427 0.431 0.227 0.600 0.200 CA 0.832 ? Z: 10 10.144 1.714 0.189 0.853 1.000 0.556 CB 1.226 10 residues pruned to eliminate duplicates Z: 16 9.164 1.636 0.283 0.532 0.867 0.400 CB 1.261 16 residues pruned to eliminate duplicates Z: 13 7.371 1.672 0.508 0.370 0.833 0.750 CB 1.163 13 residues pruned to eliminate duplicates Z: 14 13.334 1.751 0.593 0.859 1.000 0.462 CA 0.975 14 residues pruned to eliminate duplicates Z: 10 9.306 1.777 0.188 0.866 0.889 0.778 CB 1.210 10 residues pruned to eliminate duplicates Z: 18 12.782 1.863 0.259 0.841 0.941 0.647 CB 1.048 18 residues pruned to eliminate duplicates Z: 21 15.046 1.691 0.487 0.571 0.900 0.800 CA 1.389 31 residues pruned to eliminate duplicates Z: 6 9.797 2.196 0.083 0.857 0.800 0.400 CB 1.697 6 residues pruned to eliminate duplicates Z: 8 5.825 1.506 0.148 0.816 0.857 0.714 CB 1.129 8 residues pruned to eliminate duplicates Z: 35 25.140 1.956 0.537 0.611 0.941 0.588 CA 1.372 35 residues pruned to eliminate duplicates Z: 8 4.191 1.487 -0.139 0.610 1.000 0.714 CB 1.115 Z: 7 2.095 1.503 -0.066 0.435 1.000 0.500 CB 0.652 Z: 70 41.311 2.073 0.537 0.619 0.928 0.565 CB 1.503 71 residues pruned to eliminate duplicates Z: 9 2.805 1.628 -0.092 0.529 0.875 0.500 CB 0.745 9 residues pruned to eliminate duplicates Z: 29 20.034 1.933 0.504 0.614 0.964 0.286 CB 1.212 29 residues pruned to eliminate duplicates Z: 6 10.858 2.145 0.470 0.722 1.000 0.200 CA 1.260 6 residues pruned to eliminate duplicates Z: 24 22.958 2.067 0.428 0.859 0.870 0.652 CB 1.372 24 residues pruned to eliminate duplicates Z: 16 19.571 2.017 0.543 0.742 0.933 0.800 CB 1.400 16 residues pruned to eliminate duplicates 6 1.640 1.210 0.557 0.427 0.600 0.400 CB 0.699 ? Z: 8 8.909 1.779 0.456 0.696 1.000 0.714 CB 1.087 8 residues pruned to eliminate duplicates Z: 14 13.920 1.852 0.632 0.708 0.769 0.462 CA 1.374 14 residues pruned to eliminate duplicates Z: 16 19.757 2.069 0.622 0.810 0.800 0.533 CB 1.451 16 residues pruned to eliminate duplicates Z: 9 4.437 1.709 0.334 0.398 0.625 0.500 CB 1.226 9 residues pruned to eliminate duplicates Z: 53 39.520 2.047 0.603 0.658 0.981 0.596 CA 1.470 53 residues pruned to eliminate duplicates Z: 12 24.106 1.936 0.759 0.926 1.000 0.909 CA 1.497 12 residues pruned to eliminate duplicates Z: 22 39.116 2.082 1.131 0.943 1.000 0.429 CB 1.333 22 residues pruned to eliminate duplicates Z: 27 12.971 1.714 0.519 0.534 0.885 0.769 CB 1.068 27 residues pruned to eliminate duplicates Z: 7 4.838 1.482 0.070 0.877 1.000 0.833 CA 0.905 7 residues pruned to eliminate duplicates Z: 17 14.625 1.887 0.819 0.456 0.875 0.562 CB 1.274 17 residues pruned to eliminate duplicates Z: 22 23.156 1.985 0.635 0.875 0.810 0.524 CB 1.398 22 residues pruned to eliminate duplicates Z: 7 5.030 1.444 0.144 0.577 1.000 0.667 CB 1.154 Z: 23 31.891 2.039 0.861 0.944 0.909 0.545 CB 1.365 23 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 12.229 1.745 0.296 0.874 1.000 0.889 CA 1.311 10 residues pruned to eliminate duplicates Z: 17 16.369 1.830 0.511 0.585 1.000 0.750 CB 1.364 18 residues pruned to eliminate duplicates Z: 11 10.651 1.710 0.183 0.813 1.000 0.800 CB 1.268 11 residues pruned to eliminate duplicates Z: 17 14.166 1.866 0.444 0.626 0.875 0.750 CB 1.333 17 residues pruned to eliminate duplicates Z: 13 11.446 1.657 0.457 0.544 1.000 0.583 CB 1.311 13 residues pruned to eliminate duplicates Z: 11 10.786 1.596 0.474 0.724 1.000 0.700 CB 1.184 11 residues pruned to eliminate duplicates Z: 12 9.685 1.579 0.577 0.583 0.909 0.364 CB 1.192 12 residues pruned to eliminate duplicates Z: 7 7.215 1.665 0.370 0.711 0.833 0.333 CB 1.280 7 residues pruned to eliminate duplicates Z: 7 10.058 1.721 0.763 0.696 1.000 0.667 CB 1.131 6 residues pruned to eliminate duplicates Z: 6 6.025 1.804 0.128 0.820 0.800 0.600 CB 1.254 6 residues pruned to eliminate duplicates Z: 23 14.155 1.773 0.698 0.524 0.864 0.409 CB 1.133 33 residues pruned to eliminate duplicates Z: 7 10.301 1.663 0.451 0.867 1.000 0.500 CB 1.275 Z: 14 20.166 1.970 0.857 0.819 0.923 0.385 CB 1.257 14 residues pruned to eliminate duplicates Z: 13 16.857 2.053 0.779 0.725 0.917 0.500 CB 1.187 13 residues pruned to eliminate duplicates Z: 10 15.667 2.030 0.614 0.794 1.000 0.667 CA 1.231 10 residues pruned to eliminate duplicates Z: 15 13.561 1.928 0.641 0.724 0.786 0.500 CA 1.191 15 residues pruned to eliminate duplicates Z: 33 28.469 1.971 0.829 0.702 0.969 0.656 CA 1.199 33 residues pruned to eliminate duplicates Z: 25 25.812 2.062 0.660 0.753 0.958 0.625 CA 1.282 25 residues pruned to eliminate duplicates Z: 28 21.663 1.868 0.804 0.559 0.926 0.630 CA 1.261 27 residues pruned to eliminate duplicates Z: 13 15.562 2.019 0.503 0.741 0.917 0.750 CA 1.301 13 residues pruned to eliminate duplicates Z: 19 21.040 1.992 0.863 0.634 0.944 0.667 CA 1.248 19 residues pruned to eliminate duplicates Z: 17 19.384 2.055 0.795 0.668 0.938 0.812 CA 1.200 17 residues pruned to eliminate duplicates Z: 18 22.619 2.110 0.774 0.663 1.000 0.647 CA 1.260 18 residues pruned to eliminate duplicates Z: 19 15.450 1.977 0.781 0.576 0.833 0.611 CA 1.154 19 residues pruned to eliminate duplicates Z: 17 22.202 2.108 1.005 0.683 0.938 0.875 CA 1.184 17 residues pruned to eliminate duplicates Z: 18 20.820 2.108 0.711 0.684 1.000 0.882 CA 1.182 18 residues pruned to eliminate duplicates Z: 23 25.427 2.130 0.649 0.745 0.955 0.818 CA 1.299 23 residues pruned to eliminate duplicates Z: 26 19.204 1.890 0.761 0.615 0.880 0.760 CA 1.176 26 residues pruned to eliminate duplicates Z: 16 19.974 2.094 0.672 0.721 1.000 0.867 CA 1.207 16 residues pruned to eliminate duplicates Z: 27 19.808 1.859 0.613 0.601 0.962 0.731 CA 1.224 27 residues pruned to eliminate duplicates Z: 27 27.171 1.964 0.769 0.726 1.000 0.654 CA 1.251 27 residues pruned to eliminate duplicates Z: 32 21.404 1.919 0.800 0.594 0.903 0.581 CB 1.126 32 residues pruned to eliminate duplicates Z: 18 21.559 1.943 0.918 0.651 0.941 0.647 CB 1.296 18 residues pruned to eliminate duplicates Z: 16 12.589 1.879 0.841 0.720 0.800 0.667 CB 0.962 16 residues pruned to eliminate duplicates Z: 13 13.554 1.857 0.607 0.619 1.000 0.667 CA 1.172 11 residues pruned to eliminate duplicates Z: 11 18.884 2.011 0.763 0.743 1.000 0.300 CA 1.355 12 residues pruned to eliminate duplicates Z: 10 15.966 1.999 0.597 0.779 1.000 0.444 CB 1.304 10 residues pruned to eliminate duplicates Z: 12 14.709 1.938 0.499 0.667 1.000 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 14 10.250 1.819 0.626 0.553 0.923 0.462 CB 0.989 14 residues pruned to eliminate duplicates Z: 11 11.951 1.921 0.566 0.637 0.900 0.700 CB 1.228 11 residues pruned to eliminate duplicates Z: 12 11.979 1.939 0.325 0.631 1.000 0.455 CA 1.244 12 residues pruned to eliminate duplicates Z: 9 13.366 1.961 0.546 0.627 1.000 0.625 CA 1.383 9 residues pruned to eliminate duplicates Z: 12 15.172 1.945 0.697 0.717 1.000 0.636 CA 1.139 12 residues pruned to eliminate duplicates Z: 8 4.486 1.633 0.298 0.205 1.000 0.571 N 1.135 Z: 6 5.118 1.530 0.284 0.473 1.000 0.800 N 1.197 12 residues pruned to eliminate duplicates Z: 6 2.470 1.591 0.443 0.280 0.600 0.400 CA 1.028 5 residues pruned to eliminate duplicates Z: 6 4.576 1.728 0.451 0.435 0.800 0.600 CB 1.091 5 residues pruned to eliminate duplicates Z: 6 4.773 1.511 0.633 0.357 1.000 0.400 CA 1.009 6 residues pruned to eliminate duplicates Z: 27 20.030 1.973 0.521 0.524 0.885 0.269 CA 1.445 27 residues pruned to eliminate duplicates Z: 26 22.882 2.044 0.653 0.478 0.920 0.520 CB 1.505 26 residues pruned to eliminate duplicates Z: 26 20.271 1.991 0.592 0.479 0.880 0.360 CB 1.484 26 residues pruned to eliminate duplicates Z: 18 19.028 2.215 0.706 0.508 0.824 0.412 CA 1.471 18 residues pruned to eliminate duplicates Z: 50 41.109 2.126 0.587 0.679 0.959 0.571 CB 1.539 50 residues pruned to eliminate duplicates Z: 26 20.986 1.998 0.526 0.498 0.920 0.320 CA 1.498 26 residues pruned to eliminate duplicates Z: 23 18.768 2.139 0.634 0.472 0.773 0.500 CA 1.525 23 residues pruned to eliminate duplicates Z: 25 20.301 2.053 0.661 0.464 0.875 0.333 CA 1.441 25 residues pruned to eliminate duplicates Z: 24 24.606 2.104 0.781 0.487 0.957 0.391 CA 1.450 24 residues pruned to eliminate duplicates Z: 26 21.894 2.032 0.565 0.510 0.920 0.320 CB 1.482 26 residues pruned to eliminate duplicates Z: 26 18.960 1.998 0.678 0.461 0.840 0.320 CB 1.400 26 residues pruned to eliminate duplicates Z: 26 26.126 2.043 0.740 0.520 1.000 0.520 CB 1.441 41 residues pruned to eliminate duplicates Z: 7 5.496 1.763 0.965 0.192 0.667 0.167 N 1.403 7 residues pruned to eliminate duplicates Z: 28 20.766 2.013 0.526 0.501 0.889 0.481 CB 1.462 28 residues pruned to eliminate duplicates Z: 24 22.447 2.083 0.671 0.477 0.913 0.478 CA 1.507 24 residues pruned to eliminate duplicates Z: 49 37.536 2.116 0.595 0.665 0.917 0.521 CB 1.503 49 residues pruned to eliminate duplicates Z: 51 32.477 2.084 0.521 0.646 0.860 0.540 CA 1.470 51 residues pruned to eliminate duplicates Z: 49 38.932 2.132 0.629 0.653 0.896 0.479 CA 1.567 49 residues pruned to eliminate duplicates Z: 51 35.794 2.090 0.513 0.664 0.940 0.540 CB 1.462 51 residues pruned to eliminate duplicates Z: 50 34.025 2.092 0.500 0.623 0.898 0.510 CB 1.537 50 residues pruned to eliminate duplicates Z: 25 32.591 2.165 0.458 0.882 1.000 0.833 CB 1.525 25 residues pruned to eliminate duplicates Z: 24 32.100 2.176 0.474 0.920 1.000 0.739 CB 1.469 24 residues pruned to eliminate duplicates Z: 25 34.594 2.184 0.473 0.903 1.000 0.708 CB 1.564 25 residues pruned to eliminate duplicates Z: 26 34.249 2.167 0.546 0.838 1.000 0.520 CB 1.527 26 residues pruned to eliminate duplicates Z: 25 36.484 2.200 0.598 0.920 0.958 0.583 CA 1.557 25 residues pruned to eliminate duplicates Z: 26 35.157 2.164 0.616 0.832 1.000 0.760 CB 1.510 26 residues pruned to eliminate duplicates Z: 25 36.484 2.179 0.675 0.930 1.000 0.625 CB 1.426 25 residues pruned to eliminate duplicates Z: 28 26.480 2.031 0.522 0.823 0.926 0.630 CB 1.346 28 residues pruned to eliminate duplicates Z: 26 35.598 2.169 0.616 0.913 0.960 0.680 CA 1.496 26 residues pruned to eliminate duplicates Z: 25 36.619 2.181 0.606 0.937 1.000 0.750 CA 1.485 25 residues pruned to eliminate duplicates Z: 23 34.526 2.259 0.545 0.898 0.955 0.773 CA 1.581 23 residues pruned to eliminate duplicates Z: 25 35.622 2.164 0.653 0.896 0.958 0.667 CA 1.520 25 residues pruned to eliminate duplicates Z: 24 36.721 2.230 0.566 0.936 1.000 0.870 CB 1.526 24 residues pruned to eliminate duplicates Z: 26 31.246 2.128 0.605 0.855 0.920 0.680 CA 1.468 26 residues pruned to eliminate duplicates Z: 19 31.936 2.227 0.614 0.930 0.944 0.833 CA 1.550 19 residues pruned to eliminate duplicates Z: 25 34.133 2.177 0.579 0.847 1.000 0.750 CA 1.505 25 residues pruned to eliminate duplicates Z: 24 36.894 2.218 0.627 0.907 1.000 0.696 CA 1.515 24 residues pruned to eliminate duplicates Z: 18 30.545 2.247 0.584 0.817 1.000 0.529 CB 1.581 18 residues pruned to eliminate duplicates Z: 27 30.298 2.099 0.652 0.832 0.885 0.654 CB 1.454 27 residues pruned to eliminate duplicates Z: 27 32.269 2.115 0.568 0.834 0.962 0.692 CA 1.489 27 residues pruned to eliminate duplicates Z: 25 36.422 2.164 0.593 0.931 1.000 0.875 CB 1.507 25 residues pruned to eliminate duplicates Z: 27 29.357 2.121 0.671 0.848 0.846 0.538 CB 1.424 27 residues pruned to eliminate duplicates Z: 26 36.439 2.165 0.555 0.930 1.000 0.760 CA 1.514 26 residues pruned to eliminate duplicates Z: 26 30.105 2.160 0.617 0.890 0.920 0.600 CB 1.348 26 residues pruned to eliminate duplicates Z: 48 48.955 2.172 0.777 0.835 0.936 0.681 CB 1.479 47 residues pruned to eliminate duplicates Z: 25 30.654 2.054 0.778 0.800 0.958 0.750 CA 1.375 25 residues pruned to eliminate duplicates Z: 46 44.817 2.127 0.728 0.825 0.911 0.489 CB 1.505 46 residues pruned to eliminate duplicates Z: 44 41.232 2.122 0.638 0.837 1.000 0.791 CA 1.353 44 residues pruned to eliminate duplicates Z: 21 37.244 2.154 0.984 0.887 0.950 0.700 CB 1.479 21 residues pruned to eliminate duplicates Z: 22 30.519 2.083 0.839 0.799 0.952 0.571 CB 1.406 22 residues pruned to eliminate duplicates Z: 24 32.025 2.054 0.795 0.878 1.000 0.609 CB 1.315 24 residues pruned to eliminate duplicates Z: 31 24.324 2.033 0.666 0.815 0.833 0.500 CB 1.197 31 residues pruned to eliminate duplicates Z: 49 34.550 2.023 0.764 0.722 0.896 0.542 CB 1.277 44 residues pruned to eliminate duplicates Z: 22 33.029 2.091 0.908 0.871 0.952 0.333 CB 1.384 22 residues pruned to eliminate duplicates Z: 46 44.563 2.105 0.676 0.859 0.956 0.489 CB 1.450 46 residues pruned to eliminate duplicates Z: 36 27.383 2.020 0.782 0.693 0.829 0.486 CB 1.301 36 residues pruned to eliminate duplicates Z: 24 29.058 1.963 1.045 0.766 0.957 0.565 CB 1.246 24 residues pruned to eliminate duplicates Z: 25 28.236 2.002 0.865 0.850 0.917 0.500 CB 1.248 25 residues pruned to eliminate duplicates Z: 19 33.175 2.134 1.005 0.909 0.889 0.389 CB 1.459 19 residues pruned to eliminate duplicates Z: 35 30.722 1.965 0.801 0.745 0.941 0.559 CB 1.270 35 residues pruned to eliminate duplicates Z: 34 29.492 1.973 0.847 0.735 0.909 0.303 CB 1.255 34 residues pruned to eliminate duplicates Z: 31 31.772 2.064 0.779 0.787 0.933 0.567 CB 1.314 31 residues pruned to eliminate duplicates Z: 42 28.040 1.986 0.785 0.737 0.829 0.463 CB 1.204 42 residues pruned to eliminate duplicates Z: 22 33.399 2.132 1.007 0.842 0.905 0.476 CB 1.403 22 residues pruned to eliminate duplicates Z: 24 36.271 2.085 0.907 0.856 1.000 0.609 CB 1.403 24 residues pruned to eliminate duplicates Z: 39 31.864 2.085 0.753 0.741 0.895 0.579 CB 1.274 39 residues pruned to eliminate duplicates Z: 46 30.005 2.069 0.699 0.715 0.822 0.489 CB 1.274 46 residues pruned to eliminate duplicates Z: 33 25.420 1.973 0.754 0.711 0.906 0.344 CB 1.183 33 residues pruned to eliminate duplicates Z: 31 33.693 2.048 0.871 0.820 0.933 0.400 CB 1.303 31 residues pruned to eliminate duplicates Z: 62 38.704 2.035 0.633 0.691 0.934 0.623 CB 1.340 62 residues pruned to eliminate duplicates Z: 43 35.525 2.021 0.765 0.737 0.881 0.452 CB 1.410 43 residues pruned to eliminate duplicates Z: 22 17.286 2.031 0.505 0.644 0.857 0.429 CB 1.259 22 residues pruned to eliminate duplicates Z: 41 27.392 1.999 0.892 0.680 0.850 0.550 CB 1.141 41 residues pruned to eliminate duplicates Z: 43 31.743 2.056 0.657 0.722 0.905 0.476 CB 1.300 43 residues pruned to eliminate duplicates Z: 18 16.332 2.023 0.519 0.564 1.000 0.706 CB 1.211 18 residues pruned to eliminate duplicates Z: 41 27.346 1.967 0.783 0.642 0.900 0.375 CB 1.200 41 residues pruned to eliminate duplicates Z: 41 39.352 2.100 0.845 0.741 0.925 0.475 CB 1.399 41 residues pruned to eliminate duplicates Z: 63 39.741 2.071 0.682 0.662 0.903 0.629 CB 1.381 63 residues pruned to eliminate duplicates Z: 48 36.124 2.020 0.887 0.735 0.936 0.489 CB 1.196 48 residues pruned to eliminate duplicates Z: 59 36.520 2.046 0.582 0.643 0.914 0.586 CB 1.418 59 residues pruned to eliminate duplicates Z: 80 49.664 2.081 0.722 0.730 0.924 0.506 CB 1.372 80 residues pruned to eliminate duplicates Z: 58 36.440 2.044 0.676 0.700 0.877 0.456 CB 1.338 58 residues pruned to eliminate duplicates Z: 105 49.807 2.042 0.596 0.667 0.933 0.587 CB 1.377 105 residues pruned to eliminate duplicates Z: 12 21.146 2.201 0.713 0.719 0.909 0.636 CB 1.526 12 residues pruned to eliminate duplicates Z: 108 48.286 2.006 0.640 0.644 0.935 0.514 CB 1.327 108 residues pruned to eliminate duplicates Z: 58 43.043 2.080 0.812 0.681 0.947 0.632 CB 1.352 58 residues pruned to eliminate duplicates Z: 33 25.767 2.052 0.474 0.618 0.969 0.719 CB 1.391 33 residues pruned to eliminate duplicates Z: 72 44.655 2.069 0.582 0.684 0.944 0.606 CB 1.450 72 residues pruned to eliminate duplicates Z: 28 24.822 2.107 0.528 0.672 0.926 0.630 CA 1.367 28 residues pruned to eliminate duplicates Z: 13 21.217 2.145 0.774 0.750 0.917 0.500 CA 1.404 13 residues pruned to eliminate duplicates Z: 26 21.709 2.101 0.315 0.585 1.000 0.720 CB 1.448 26 residues pruned to eliminate duplicates Z: 28 25.896 2.098 0.622 0.678 0.889 0.593 CB 1.399 28 residues pruned to eliminate duplicates Z: 93 39.954 2.008 0.539 0.602 0.902 0.478 CB 1.356 93 residues pruned to eliminate duplicates Z: 28 16.592 1.997 0.579 0.580 0.852 0.481 CB 1.102 28 residues pruned to eliminate duplicates Z: 14 22.214 2.177 0.762 0.781 0.923 0.615 CB 1.358 14 residues pruned to eliminate duplicates Z: 45 30.160 2.016 0.506 0.654 0.977 0.409 CB 1.328 45 residues pruned to eliminate duplicates Z: 89 42.361 2.022 0.640 0.669 0.909 0.523 CB 1.281 89 residues pruned to eliminate duplicates Z: 57 35.796 2.039 0.745 0.694 0.893 0.554 CB 1.261 57 residues pruned to eliminate duplicates Z: 34 27.890 2.062 0.701 0.686 0.879 0.515 CB 1.328 34 residues pruned to eliminate duplicates Z: 85 39.897 2.017 0.523 0.646 0.917 0.476 CB 1.350 85 residues pruned to eliminate duplicates Z: 141 58.052 2.024 0.633 0.669 0.950 0.464 CB 1.336 148 residues pruned to eliminate duplicates Z: 11 4.499 1.584 0.279 0.632 0.800 0.500 CB 0.776 11 residues pruned to eliminate duplicates Z: 59 39.467 2.032 0.671 0.691 0.948 0.552 CB 1.351 59 residues pruned to eliminate duplicates Z: 64 33.462 2.021 0.580 0.597 0.921 0.540 CB 1.307 64 residues pruned to eliminate duplicates Z: 88 47.369 2.039 0.560 0.688 0.943 0.586 CB 1.426 88 residues pruned to eliminate duplicates Z: 9 7.507 1.669 0.544 0.764 0.875 0.375 CB 0.931 9 residues pruned to eliminate duplicates Z: 48 28.570 1.985 0.546 0.664 0.872 0.489 CB 1.337 48 residues pruned to eliminate duplicates Z: 14 6.469 1.677 0.527 0.444 0.846 0.308 CB 0.877 14 residues pruned to eliminate duplicates Z: 73 41.474 2.013 0.585 0.696 0.944 0.611 CB 1.357 73 residues pruned to eliminate duplicates Z: 6 4.039 1.637 0.265 0.418 0.800 0.400 CB 1.188 6 residues pruned to eliminate duplicates Z: 73 38.809 2.025 0.506 0.700 0.917 0.639 CB 1.363 73 residues pruned to eliminate duplicates Z: 34 20.808 1.906 0.463 0.622 0.909 0.333 CB 1.274 34 residues pruned to eliminate duplicates Z: 108 49.725 2.041 0.728 0.676 0.907 0.514 CB 1.278 108 residues pruned to eliminate duplicates Z: 52 33.221 2.008 0.444 0.694 0.922 0.647 CB 1.457 52 residues pruned to eliminate duplicates Z: 19 26.092 2.004 0.558 0.787 1.000 0.389 CA 1.530 19 residues pruned to eliminate duplicates Z: 137 60.716 2.057 0.662 0.698 0.912 0.603 CB 1.394 137 residues pruned to eliminate duplicates Z: 88 43.836 2.026 0.498 0.661 0.943 0.563 CB 1.415 88 residues pruned to eliminate duplicates Z: 74 37.904 1.999 0.557 0.682 0.918 0.658 CB 1.314 74 residues pruned to eliminate duplicates Z: 46 28.402 2.004 0.569 0.664 0.933 0.489 CB 1.240 46 residues pruned to eliminate duplicates Z: 92 42.520 2.026 0.507 0.646 0.934 0.516 CB 1.363 92 residues pruned to eliminate duplicates Z: 93 41.304 2.015 0.518 0.651 0.913 0.620 CB 1.340 93 residues pruned to eliminate duplicates Z: 34 30.554 2.040 0.581 0.743 0.939 0.455 CB 1.412 34 residues pruned to eliminate duplicates Z: 48 30.805 1.970 0.605 0.671 0.957 0.511 CB 1.268 48 residues pruned to eliminate duplicates Z: 74 42.666 2.011 0.651 0.701 0.959 0.534 CB 1.306 74 residues pruned to eliminate duplicates Z: 28 29.692 2.027 0.708 0.741 0.926 0.370 CB 1.436 28 residues pruned to eliminate duplicates Z: 43 30.902 2.030 0.614 0.700 0.905 0.405 CB 1.342 43 residues pruned to eliminate duplicates Z: 60 38.846 2.008 0.575 0.692 0.983 0.542 CB 1.365 60 residues pruned to eliminate duplicates Z: 58 37.860 2.047 0.708 0.713 0.895 0.509 CB 1.322 58 residues pruned to eliminate duplicates Z: 56 35.533 1.939 0.673 0.650 0.945 0.436 CB 1.358 56 residues pruned to eliminate duplicates Z: 36 31.729 2.011 0.638 0.706 0.943 0.457 CA 1.431 36 residues pruned to eliminate duplicates Z: 26 19.645 1.871 0.591 0.567 0.920 0.320 CB 1.345 26 residues pruned to eliminate duplicates Z: 40 32.286 1.990 0.685 0.643 0.974 0.564 CB 1.385 40 residues pruned to eliminate duplicates Z: 39 34.770 2.024 0.679 0.715 1.000 0.579 CB 1.366 39 residues pruned to eliminate duplicates Z: 72 42.797 2.023 0.680 0.702 0.930 0.521 CB 1.337 72 residues pruned to eliminate duplicates Z: 12 19.791 2.140 0.534 0.874 1.000 0.455 CB 1.323 12 residues pruned to eliminate duplicates Z: 39 32.090 2.022 0.649 0.670 0.947 0.526 CB 1.409 39 residues pruned to eliminate duplicates Z: 39 31.895 1.992 0.706 0.671 0.947 0.500 CB 1.373 39 residues pruned to eliminate duplicates Z: 140 62.598 2.035 0.662 0.709 0.935 0.504 CB 1.388 140 residues pruned to eliminate duplicates Z: 11 25.883 2.158 0.986 0.863 0.900 0.800 CB 1.557 11 residues pruned to eliminate duplicates Z: 41 29.207 1.994 0.639 0.668 0.875 0.500 CB 1.382 41 residues pruned to eliminate duplicates Z: 61 35.809 1.971 0.653 0.665 0.917 0.500 CB 1.329 61 residues pruned to eliminate duplicates Z: 29 31.451 2.015 0.706 0.740 0.929 0.750 CB 1.501 29 residues pruned to eliminate duplicates Z: 13 21.411 2.118 0.540 0.820 0.917 0.667 CB 1.566 13 residues pruned to eliminate duplicates Z: 15 23.649 2.001 0.640 0.798 1.000 0.429 CB 1.485 15 residues pruned to eliminate duplicates Z: 28 20.846 1.913 0.489 0.613 0.926 0.593 CA 1.367 16 residues pruned to eliminate duplicates Z: 14 24.151 2.034 0.563 0.878 1.000 0.692 CB 1.529 14 residues pruned to eliminate duplicates Z: 27 26.709 1.937 0.641 0.700 0.923 0.692 CB 1.488 27 residues pruned to eliminate duplicates Z: 27 24.174 1.916 0.609 0.688 0.923 0.692 CA 1.402 27 residues pruned to eliminate duplicates Z: 52 39.081 2.027 0.569 0.700 0.980 0.608 CB 1.463 52 residues pruned to eliminate duplicates Z: 111 48.428 2.025 0.688 0.680 0.882 0.509 CB 1.298 111 residues pruned to eliminate duplicates Z: 29 28.861 1.990 0.672 0.732 0.929 0.643 CB 1.433 29 residues pruned to eliminate duplicates Z: 14 18.080 1.922 0.677 0.714 0.923 0.462 CA 1.388 14 residues pruned to eliminate duplicates Z: 29 30.681 2.011 0.573 0.758 1.000 0.750 CA 1.458 29 residues pruned to eliminate duplicates Z: 31 26.105 1.819 0.689 0.647 0.967 0.700 CB 1.398 31 residues pruned to eliminate duplicates Z: 16 16.699 1.892 0.713 0.623 0.933 0.667 CA 1.270 16 residues pruned to eliminate duplicates Z: 116 53.788 2.033 0.699 0.682 0.922 0.522 CB 1.332 116 residues pruned to eliminate duplicates Z: 64 32.673 1.899 0.586 0.610 0.921 0.460 CB 1.338 64 residues pruned to eliminate duplicates Z: 14 20.811 1.945 0.791 0.735 0.923 0.692 CB 1.453 14 residues pruned to eliminate duplicates Z: 15 15.878 1.778 0.892 0.713 0.857 0.000 CB 1.214 15 residues pruned to eliminate duplicates Z: 24 21.273 1.908 0.503 0.658 0.913 0.652 CA 1.463 24 residues pruned to eliminate duplicates Z: 14 25.940 2.094 0.525 0.924 1.000 1.000 CB 1.582 14 residues pruned to eliminate duplicates Z: 24 19.460 1.889 0.422 0.640 0.913 0.522 CA 1.452 24 residues pruned to eliminate duplicates Z: 24 25.895 1.940 0.592 0.691 0.957 0.739 CB 1.535 26 residues pruned to eliminate duplicates Z: 14 26.655 2.039 0.833 0.906 0.923 0.846 CB 1.524 14 residues pruned to eliminate duplicates Z: 35 28.813 1.899 0.630 0.706 0.912 0.765 CB 1.452 35 residues pruned to eliminate duplicates Z: 16 26.594 1.988 0.593 0.914 1.000 0.733 CB 1.534 16 residues pruned to eliminate duplicates Z: 15 25.225 2.020 0.683 0.898 0.929 0.857 CA 1.528 15 residues pruned to eliminate duplicates Z: 14 26.230 2.071 0.741 0.928 0.923 0.923 CA 1.531 14 residues pruned to eliminate duplicates Z: 15 26.653 2.052 0.580 0.902 1.000 0.857 CA 1.567 15 residues pruned to eliminate duplicates Z: 15 22.203 2.007 0.651 0.863 0.929 0.857 CA 1.414 15 residues pruned to eliminate duplicates Z: 35 26.505 1.892 0.493 0.642 0.941 0.618 CA 1.498 35 residues pruned to eliminate duplicates Z: 19 22.374 1.931 0.563 0.758 0.944 0.667 CB 1.470 19 residues pruned to eliminate duplicates Z: 27 20.239 1.877 0.574 0.579 0.885 0.654 CB 1.407 27 residues pruned to eliminate duplicates Z: 38 25.487 1.861 0.411 0.633 0.973 0.649 CB 1.447 38 residues pruned to eliminate duplicates Z: 12 7.671 1.707 0.409 0.279 0.909 0.455 CA 1.358 12 residues pruned to eliminate duplicates Z: 24 8.114 1.643 0.140 0.453 0.870 0.652 CA 1.090 24 residues pruned to eliminate duplicates Z: 12 4.677 1.554 0.227 0.255 0.818 0.455 CA 1.197 12 residues pruned to eliminate duplicates Z: 20 17.081 1.777 0.573 0.541 1.000 0.737 CA 1.346 20 residues pruned to eliminate duplicates Z: 26 16.787 1.710 0.523 0.498 0.960 0.680 CB 1.346 22 residues pruned to eliminate duplicates Z: 7 3.727 1.596 0.551 0.315 0.667 0.167 CA 1.131 7 residues pruned to eliminate duplicates Z: 32 23.182 1.833 0.606 0.616 0.935 0.742 CA 1.354 36 residues pruned to eliminate duplicates Z: 13 13.455 1.763 0.412 0.706 0.917 0.667 O 1.411 13 residues pruned to eliminate duplicates Z: 11 14.927 1.833 0.359 0.802 1.000 0.600 O 1.456 11 residues pruned to eliminate duplicates Z: 21 17.014 1.760 0.551 0.579 1.000 0.750 CA 1.292 21 residues pruned to eliminate duplicates Z: 34 29.668 1.866 0.805 0.708 0.939 0.636 CB 1.351 34 residues pruned to eliminate duplicates Z: 21 14.751 1.745 0.608 0.551 0.850 0.600 CA 1.316 21 residues pruned to eliminate duplicates Z: 31 21.953 1.814 0.581 0.586 0.933 0.733 CA 1.379 31 residues pruned to eliminate duplicates Z: 21 14.125 1.742 0.436 0.476 0.950 0.500 CA 1.362 21 residues pruned to eliminate duplicates Z: 28 12.866 1.621 0.381 0.475 0.926 0.741 CA 1.226 28 residues pruned to eliminate duplicates Z: 23 17.424 1.728 0.569 0.512 1.000 0.545 CA 1.355 23 residues pruned to eliminate duplicates Z: 17 12.874 1.714 0.427 0.589 0.875 0.562 CB 1.381 17 residues pruned to eliminate duplicates Z: 35 27.778 1.908 0.508 0.688 0.941 0.794 CA 1.481 35 residues pruned to eliminate duplicates Z: 18 13.204 1.980 0.502 0.589 0.824 0.529 CB 1.200 18 residues pruned to eliminate duplicates Z: 6 5.386 1.625 0.742 0.490 1.000 0.800 CB 0.859 6 residues pruned to eliminate duplicates Z: 19 17.216 1.967 0.543 0.622 1.000 0.611 CB 1.191 18 residues pruned to eliminate duplicates Z: 14 12.384 1.922 0.737 0.638 0.846 0.538 CB 1.068 14 residues pruned to eliminate duplicates Z: 21 15.173 1.825 0.685 0.581 0.900 0.450 CB 1.135 21 residues pruned to eliminate duplicates Z: 12 19.480 1.858 0.954 0.797 1.000 0.545 CA 1.248 13 residues pruned to eliminate duplicates Z: 12 16.322 1.893 0.762 0.772 1.000 0.455 CB 1.159 12 residues pruned to eliminate duplicates Z: 19 17.168 1.980 0.560 0.642 0.944 0.611 CB 1.215 18 residues pruned to eliminate duplicates Z: 10 12.051 1.780 0.645 0.776 0.889 0.667 CA 1.209 10 residues pruned to eliminate duplicates Z: 20 15.088 1.874 0.593 0.613 0.947 0.632 CB 1.100 20 residues pruned to eliminate duplicates Z: 18 18.299 2.049 0.664 0.622 0.941 0.588 CB 1.233 19 residues pruned to eliminate duplicates Z: 12 17.859 1.884 0.830 0.803 1.000 0.818 CB 1.198 12 residues pruned to eliminate duplicates Z: 19 18.350 1.948 0.782 0.596 0.944 0.556 CB 1.203 19 residues pruned to eliminate duplicates Z: 12 15.149 1.871 0.896 0.798 0.909 0.727 CB 1.091 12 residues pruned to eliminate duplicates Z: 13 9.775 1.769 0.536 0.406 0.917 0.667 CB 1.250 13 residues pruned to eliminate duplicates Z: 16 7.934 1.711 0.432 0.329 1.000 0.400 CB 1.008 16 residues pruned to eliminate duplicates Z: 13 8.597 1.822 0.438 0.399 1.000 0.750 CB 1.053 13 residues pruned to eliminate duplicates Z: 13 9.559 1.835 0.585 0.384 1.000 0.500 CB 1.073 13 residues pruned to eliminate duplicates Z: 14 8.473 1.691 0.539 0.355 0.846 0.538 CB 1.247 14 residues pruned to eliminate duplicates Z: 13 9.013 1.830 0.581 0.395 1.000 0.750 CB 1.004 13 residues pruned to eliminate duplicates Z: 14 9.287 1.730 0.620 0.432 1.000 0.462 CB 0.985 13 residues pruned to eliminate duplicates Z: 7 6.941 1.765 0.771 0.556 0.833 0.833 CB 1.030 7 residues pruned to eliminate duplicates Z: 13 8.078 1.842 0.519 0.363 0.917 0.750 CB 1.053 13 residues pruned to eliminate duplicates Z: 14 5.596 1.735 0.497 0.345 0.846 0.462 CB 0.836 14 residues pruned to eliminate duplicates Z: 13 8.810 1.820 0.537 0.396 1.000 0.583 CB 1.015 13 residues pruned to eliminate duplicates Z: 18 8.361 1.770 0.382 0.293 1.000 0.412 CB 1.045 18 residues pruned to eliminate duplicates Z: 19 16.459 1.913 0.399 0.727 0.944 0.667 CB 1.251 25 residues pruned to eliminate duplicates Z: 13 17.153 2.161 0.332 0.805 1.000 0.750 CB 1.319 13 residues pruned to eliminate duplicates Z: 14 14.533 1.931 0.487 0.843 1.000 0.538 CB 1.045 14 residues pruned to eliminate duplicates Z: 15 17.939 2.120 0.331 0.831 1.000 0.643 CB 1.277 15 residues pruned to eliminate duplicates Z: 17 20.796 1.993 0.733 0.873 1.000 0.875 CB 1.096 18 residues pruned to eliminate duplicates Z: 17 21.897 1.957 0.677 0.881 0.938 0.750 CB 1.288 17 residues pruned to eliminate duplicates Z: 15 15.744 1.973 0.407 0.728 1.000 0.714 CB 1.235 13 residues pruned to eliminate duplicates Z: 13 18.908 2.124 0.589 0.868 0.917 0.500 CB 1.289 13 residues pruned to eliminate duplicates Z: 20 19.589 1.953 0.749 0.732 0.895 0.421 CB 1.194 20 residues pruned to eliminate duplicates Z: 18 22.785 1.943 0.824 0.818 1.000 0.529 CB 1.183 18 residues pruned to eliminate duplicates Z: 18 22.173 1.976 0.831 0.744 0.882 0.588 CB 1.355 18 residues pruned to eliminate duplicates Z: 17 21.926 2.038 0.785 0.886 0.938 0.750 CB 1.160 17 residues pruned to eliminate duplicates Z: 16 21.227 1.977 0.669 0.824 0.933 0.667 CB 1.344 16 residues pruned to eliminate duplicates Z: 34 30.234 1.914 0.799 0.751 1.000 0.545 CB 1.222 34 residues pruned to eliminate duplicates Z: 25 18.277 1.849 0.701 0.720 1.000 0.583 CB 0.972 25 residues pruned to eliminate duplicates Z: 35 29.121 1.879 0.741 0.722 0.941 0.735 CB 1.327 35 residues pruned to eliminate duplicates Z: 21 20.374 1.963 0.587 0.731 1.000 0.700 CB 1.188 21 residues pruned to eliminate duplicates Z: 22 18.135 1.815 0.803 0.620 0.810 0.571 CB 1.334 22 residues pruned to eliminate duplicates Z: 35 22.859 1.885 0.502 0.719 0.941 0.618 CB 1.207 35 residues pruned to eliminate duplicates Z: 33 32.020 1.942 0.688 0.768 1.000 0.625 CB 1.361 35 residues pruned to eliminate duplicates Z: 12 19.919 1.875 0.708 0.885 1.000 0.818 CA 1.354 12 residues pruned to eliminate duplicates Z: 17 21.797 1.869 0.907 0.708 0.938 0.375 CB 1.350 17 residues pruned to eliminate duplicates Z: 13 21.131 1.916 0.812 0.874 0.833 0.583 CA 1.535 13 residues pruned to eliminate duplicates Z: 14 22.291 1.905 0.728 0.841 1.000 0.692 CB 1.401 14 residues pruned to eliminate duplicates Z: 14 19.170 1.872 0.816 0.804 0.846 0.692 CB 1.418 14 residues pruned to eliminate duplicates Z: 32 28.977 1.966 0.786 0.822 0.903 0.581 CB 1.242 32 residues pruned to eliminate duplicates Z: 14 17.418 1.872 0.704 0.780 0.846 0.692 CA 1.398 14 residues pruned to eliminate duplicates Z: 35 29.176 1.897 0.639 0.746 0.971 0.471 CB 1.330 33 residues pruned to eliminate duplicates Z: 11 20.552 1.889 0.894 0.867 0.900 0.600 CA 1.477 11 residues pruned to eliminate duplicates Z: 44 31.327 1.912 0.555 0.757 0.930 0.488 CB 1.375 44 residues pruned to eliminate duplicates Z: 45 34.675 1.895 0.667 0.744 0.977 0.682 CB 1.361 46 residues pruned to eliminate duplicates Z: 14 17.174 1.871 0.824 0.706 0.923 0.385 CA 1.254 14 residues pruned to eliminate duplicates Z: 45 33.281 1.924 0.680 0.737 0.932 0.523 CB 1.347 45 residues pruned to eliminate duplicates Z: 29 19.588 1.826 0.603 0.675 0.893 0.607 CB 1.206 29 residues pruned to eliminate duplicates Z: 14 14.081 1.805 0.387 0.683 0.923 0.692 CB 1.427 14 residues pruned to eliminate duplicates Z: 12 11.751 1.847 0.212 0.727 1.000 0.636 CB 1.289 12 residues pruned to eliminate duplicates Z: 45 31.673 1.901 0.505 0.776 0.977 0.659 CB 1.337 45 residues pruned to eliminate duplicates Z: 11 15.027 1.899 0.533 0.839 0.900 0.500 CB 1.354 11 residues pruned to eliminate duplicates Z: 35 21.905 1.775 0.670 0.643 0.853 0.676 CB 1.299 35 residues pruned to eliminate duplicates Z: 15 15.509 1.724 0.563 0.687 1.000 0.429 CA 1.295 15 residues pruned to eliminate duplicates Z: 45 29.200 1.880 0.550 0.769 0.932 0.750 CB 1.277 45 residues pruned to eliminate duplicates Z: 32 27.167 1.823 0.766 0.677 0.935 0.645 CB 1.377 32 residues pruned to eliminate duplicates Z: 9 7.475 2.040 0.306 0.308 0.875 0.625 CB 1.404 9 residues pruned to eliminate duplicates Z: 10 9.215 1.948 0.475 0.314 0.889 0.667 CA 1.478 10 residues pruned to eliminate duplicates Z: 9 9.628 2.091 0.358 0.360 1.000 0.500 CB 1.394 9 residues pruned to eliminate duplicates Z: 6 4.646 1.597 0.407 0.384 1.000 0.600 CA 1.046 6 residues pruned to eliminate duplicates Z: 10 8.638 2.034 0.292 0.352 1.000 0.333 CB 1.287 10 residues pruned to eliminate duplicates Z: 7 7.951 2.113 0.261 0.359 0.833 0.500 CA 1.701 7 residues pruned to eliminate duplicates Z: 12 13.353 1.759 0.476 0.666 1.000 0.818 CB 1.330 Z: 8 10.169 1.713 0.266 0.815 1.000 0.714 N 1.347 8 residues pruned to eliminate duplicates Z: 13 10.993 1.722 0.478 0.694 0.917 0.667 CB 1.139 13 residues pruned to eliminate duplicates Z: 14 11.735 1.716 0.404 0.634 0.923 0.692 CB 1.291 14 residues pruned to eliminate duplicates Z: 13 13.901 1.735 0.498 0.687 1.000 0.417 CB 1.300 12 residues pruned to eliminate duplicates Z: 9 11.475 1.728 0.478 0.834 0.875 0.625 CB 1.361 9 residues pruned to eliminate duplicates Z: 13 10.866 1.742 0.338 0.688 0.917 0.667 CB 1.235 13 residues pruned to eliminate duplicates Z: 7 10.217 1.688 0.593 0.856 1.000 1.000 CB 1.144 7 residues pruned to eliminate duplicates Z: 13 12.150 1.740 0.417 0.677 1.000 0.583 CB 1.209 13 residues pruned to eliminate duplicates Z: 9 12.209 1.743 0.559 0.746 1.000 0.625 CB 1.275 9 residues pruned to eliminate duplicates Z: 19 16.866 2.019 0.667 0.672 0.889 0.556 CB 1.134 19 residues pruned to eliminate duplicates Z: 18 16.552 2.050 0.661 0.726 0.941 0.765 CB 1.022 18 residues pruned to eliminate duplicates Z: 11 12.045 2.199 0.571 0.630 0.800 0.500 CB 1.219 11 residues pruned to eliminate duplicates Z: 16 21.240 2.147 0.646 0.790 0.933 0.667 CB 1.289 16 residues pruned to eliminate duplicates Z: 16 8.130 1.948 0.544 0.450 0.867 0.600 CB 0.848 16 residues pruned to eliminate duplicates Z: 17 21.476 2.054 0.856 0.749 0.938 0.375 CB 1.203 17 residues pruned to eliminate duplicates Z: 17 21.698 2.080 0.949 0.747 1.000 0.500 CB 1.073 17 residues pruned to eliminate duplicates Z: 22 17.871 1.837 0.770 0.624 0.905 0.476 CB 1.179 22 residues pruned to eliminate duplicates Z: 16 25.566 2.162 0.884 0.803 1.000 0.600 CB 1.244 16 residues pruned to eliminate duplicates Z: 18 20.119 2.020 0.861 0.717 0.882 0.471 CB 1.209 18 residues pruned to eliminate duplicates Z: 22 16.246 1.990 0.792 0.601 0.857 0.429 CB 1.053 22 residues pruned to eliminate duplicates Z: 20 16.605 2.012 0.815 0.652 0.895 0.526 CB 1.012 20 residues pruned to eliminate duplicates Z: 29 20.550 1.954 0.711 0.591 0.929 0.571 CB 1.146 29 residues pruned to eliminate duplicates Z: 36 23.767 1.969 0.640 0.656 0.914 0.629 CB 1.177 36 residues pruned to eliminate duplicates Z: 35 25.645 2.006 0.576 0.695 0.941 0.647 CB 1.237 35 residues pruned to eliminate duplicates Z: 36 23.490 1.943 0.635 0.678 0.886 0.657 CB 1.198 36 residues pruned to eliminate duplicates Z: 13 8.264 1.754 0.672 0.445 0.833 0.583 CA 1.033 13 residues pruned to eliminate duplicates Z: 35 25.770 1.991 0.707 0.696 0.912 0.618 CB 1.193 35 residues pruned to eliminate duplicates Z: 36 26.796 1.967 0.713 0.676 0.971 0.657 CB 1.177 36 residues pruned to eliminate duplicates Z: 33 26.019 1.989 0.702 0.625 1.000 0.531 CB 1.208 33 residues pruned to eliminate duplicates Z: 35 24.096 1.961 0.653 0.626 0.971 0.618 CB 1.167 35 residues pruned to eliminate duplicates Z: 19 17.472 1.908 0.570 0.699 0.944 0.889 CB 1.215 19 residues pruned to eliminate duplicates Z: 20 18.588 1.872 0.568 0.678 1.000 0.842 CB 1.234 20 residues pruned to eliminate duplicates Z: 13 13.237 1.766 0.542 0.736 1.000 0.833 CB 1.135 13 residues pruned to eliminate duplicates Z: 9 10.697 1.808 0.303 0.876 1.000 1.000 CB 1.167 9 residues pruned to eliminate duplicates Z: 20 16.815 1.867 0.467 0.636 1.000 0.684 CB 1.239 20 residues pruned to eliminate duplicates Z: 20 17.530 1.800 0.587 0.672 1.000 0.842 CB 1.201 20 residues pruned to eliminate duplicates Z: 21 14.344 1.806 0.515 0.602 0.950 0.750 CB 1.119 21 residues pruned to eliminate duplicates Z: 20 16.132 1.847 0.583 0.648 0.947 0.789 CB 1.164 20 residues pruned to eliminate duplicates Z: 36 24.745 1.979 0.709 0.679 0.914 0.600 CB 1.147 36 residues pruned to eliminate duplicates Z: 20 15.555 1.818 0.411 0.657 1.000 0.947 CB 1.203 20 residues pruned to eliminate duplicates Z: 35 26.174 1.946 0.710 0.689 0.971 0.647 CB 1.168 35 residues pruned to eliminate duplicates Z: 20 15.972 1.862 0.509 0.626 1.000 0.789 CB 1.158 20 residues pruned to eliminate duplicates Z: 20 24.683 2.260 0.522 0.538 0.947 0.421 CA 1.675 20 residues pruned to eliminate duplicates Z: 58 30.023 2.079 0.384 0.517 0.895 0.456 CB 1.520 58 residues pruned to eliminate duplicates Z: 23 17.838 2.130 0.452 0.478 0.818 0.409 CA 1.537 23 residues pruned to eliminate duplicates Z: 66 39.704 2.119 0.438 0.632 0.954 0.508 CB 1.497 66 residues pruned to eliminate duplicates Z: 14 16.226 2.210 0.594 0.380 0.923 0.154 CA 1.573 14 residues pruned to eliminate duplicates Z: 30 23.557 2.198 0.383 0.557 0.862 0.483 CB 1.579 30 residues pruned to eliminate duplicates Z: 69 38.592 2.088 0.457 0.618 0.912 0.500 CB 1.510 69 residues pruned to eliminate duplicates Z: 25 20.016 2.083 0.528 0.442 0.917 0.417 CA 1.486 25 residues pruned to eliminate duplicates Z: 65 41.139 2.137 0.524 0.641 0.891 0.484 CB 1.554 65 residues pruned to eliminate duplicates Z: 30 26.037 2.169 0.548 0.583 0.897 0.517 CB 1.484 30 residues pruned to eliminate duplicates Z: 24 19.731 2.146 0.497 0.429 0.957 0.348 CA 1.442 24 residues pruned to eliminate duplicates Z: 24 19.954 2.047 0.416 0.446 0.913 0.391 CA 1.660 24 residues pruned to eliminate duplicates Z: 18 25.189 2.335 0.542 0.540 0.941 0.353 CA 1.734 18 residues pruned to eliminate duplicates Z: 34 24.260 2.093 0.412 0.536 0.939 0.545 CB 1.469 34 residues pruned to eliminate duplicates Z: 13 10.863 1.853 0.367 0.643 0.917 0.500 CB 1.181 13 residues pruned to eliminate duplicates Z: 11 11.733 2.001 0.475 0.706 0.900 0.800 CB 1.158 11 residues pruned to eliminate duplicates Z: 11 9.070 1.984 0.237 0.649 0.900 0.600 CB 1.130 11 residues pruned to eliminate duplicates Z: 22 17.315 1.947 0.359 0.581 1.000 0.714 CB 1.321 22 residues pruned to eliminate duplicates Z: 17 8.748 1.698 0.314 0.413 0.812 0.312 CB 1.321 17 residues pruned to eliminate duplicates Z: 45 36.511 2.061 0.562 0.719 0.955 0.705 CB 1.469 46 residues pruned to eliminate duplicates Z: 9 9.770 2.003 0.259 0.879 0.875 0.625 CB 1.135 9 residues pruned to eliminate duplicates Z: 28 20.630 2.041 0.404 0.528 0.926 0.704 CB 1.455 28 residues pruned to eliminate duplicates Z: 47 31.592 2.001 0.440 0.685 0.978 0.674 CA 1.395 47 residues pruned to eliminate duplicates Z: 15 8.542 1.838 0.319 0.509 0.929 0.429 CB 1.005 15 residues pruned to eliminate duplicates Z: 47 30.542 2.050 0.398 0.695 0.957 0.630 CB 1.374 47 residues pruned to eliminate duplicates Z: 31 19.045 2.033 0.377 0.512 0.900 0.533 CB 1.364 31 residues pruned to eliminate duplicates Z: 38 31.412 2.048 0.538 0.681 0.919 0.568 CA 1.511 38 residues pruned to eliminate duplicates Z: 6 6.050 1.667 0.819 0.287 1.000 0.400 CA 1.134 6 residues pruned to eliminate duplicates Z: 35 33.513 2.115 0.571 0.676 0.971 0.559 CA 1.516 35 residues pruned to eliminate duplicates Z: 6 4.843 1.568 0.703 0.323 0.800 0.400 O 1.233 6 residues pruned to eliminate duplicates Z: 38 26.276 2.030 0.472 0.664 0.892 0.595 CB 1.393 37 residues pruned to eliminate duplicates Z: 6 4.524 1.601 0.680 0.297 0.800 0.600 CA 1.180 6 residues pruned to eliminate duplicates Z: 65 44.523 2.130 0.556 0.632 0.953 0.625 CB 1.556 65 residues pruned to eliminate duplicates Z: 68 41.128 2.079 0.613 0.596 0.940 0.433 CB 1.454 68 residues pruned to eliminate duplicates Z: 30 28.943 2.093 0.460 0.773 0.897 0.552 CA 1.541 30 residues pruned to eliminate duplicates Z: 46 30.696 2.023 0.441 0.675 0.933 0.667 CB 1.432 46 residues pruned to eliminate duplicates Z: 41 33.994 2.087 0.499 0.692 0.950 0.600 CB 1.517 41 residues pruned to eliminate duplicates Z: 44 32.654 1.984 0.516 0.700 1.000 0.651 CB 1.379 44 residues pruned to eliminate duplicates Z: 41 30.600 2.047 0.540 0.650 0.950 0.500 CB 1.404 41 residues pruned to eliminate duplicates Z: 29 29.460 2.070 0.607 0.766 0.893 0.714 CB 1.480 30 residues pruned to eliminate duplicates Z: 25 26.492 2.046 0.499 0.816 0.917 0.458 CB 1.462 24 residues pruned to eliminate duplicates Z: 14 19.908 2.118 0.488 0.857 1.000 0.692 CB 1.291 14 residues pruned to eliminate duplicates Z: 37 30.702 2.060 0.463 0.658 0.972 0.500 CB 1.508 37 residues pruned to eliminate duplicates Z: 37 28.551 2.065 0.455 0.638 0.889 0.472 CB 1.566 37 residues pruned to eliminate duplicates Z: 70 40.453 2.060 0.517 0.596 0.942 0.449 CB 1.510 70 residues pruned to eliminate duplicates Z: 46 30.651 2.013 0.608 0.689 0.911 0.533 CB 1.304 46 residues pruned to eliminate duplicates Z: 15 23.002 2.195 0.448 0.906 0.929 0.643 CB 1.481 15 residues pruned to eliminate duplicates Z: 31 26.549 2.018 0.573 0.784 0.900 0.467 CB 1.321 31 residues pruned to eliminate duplicates Z: 30 27.295 2.027 0.500 0.779 0.966 0.483 CB 1.349 30 residues pruned to eliminate duplicates Z: 45 32.670 2.054 0.577 0.707 0.909 0.477 CB 1.386 45 residues pruned to eliminate duplicates Z: 19 17.024 1.978 0.617 0.813 0.833 0.333 CB 1.147 19 residues pruned to eliminate duplicates Z: 45 21.670 1.920 0.434 0.589 0.841 0.318 CB 1.295 45 residues pruned to eliminate duplicates Z: 35 31.716 2.058 0.596 0.673 0.971 0.382 CB 1.455 35 residues pruned to eliminate duplicates Z: 46 29.069 2.028 0.479 0.690 0.889 0.533 CB 1.366 46 residues pruned to eliminate duplicates Z: 36 29.737 1.999 0.687 0.642 0.914 0.371 CB 1.427 36 residues pruned to eliminate duplicates Z: 71 40.371 2.114 0.614 0.558 0.900 0.386 CB 1.486 71 residues pruned to eliminate duplicates Z: 50 40.241 2.085 0.652 0.739 0.898 0.449 CB 1.499 51 residues pruned to eliminate duplicates Z: 24 30.394 2.068 0.644 0.826 0.957 0.652 CB 1.470 24 residues pruned to eliminate duplicates Z: 23 28.627 2.123 0.736 0.753 0.864 0.591 CB 1.531 30 residues pruned to eliminate duplicates Z: 68 43.613 2.059 0.614 0.694 0.940 0.448 CB 1.428 68 residues pruned to eliminate duplicates Z: 21 30.590 2.172 0.617 0.832 0.950 0.550 CB 1.539 21 residues pruned to eliminate duplicates Z: 22 30.411 2.135 0.783 0.800 0.857 0.524 CB 1.564 22 residues pruned to eliminate duplicates Z: 22 31.846 2.122 0.817 0.785 0.905 0.476 CB 1.550 22 residues pruned to eliminate duplicates Z: 24 34.768 2.074 0.710 0.832 1.000 0.609 CB 1.535 24 residues pruned to eliminate duplicates Z: 25 31.236 2.052 0.837 0.738 0.917 0.667 CB 1.490 25 residues pruned to eliminate duplicates Z: 68 41.728 2.053 0.651 0.701 0.925 0.493 CB 1.354 68 residues pruned to eliminate duplicates Z: 25 28.063 2.035 0.692 0.747 0.958 0.500 CB 1.393 25 residues pruned to eliminate duplicates Z: 18 31.638 2.103 0.943 0.846 0.941 0.529 CA 1.482 18 residues pruned to eliminate duplicates Z: 23 26.615 1.958 0.912 0.825 0.864 0.500 CB 1.325 23 residues pruned to eliminate duplicates Z: 22 28.095 2.098 0.827 0.817 0.857 0.286 CB 1.417 22 residues pruned to eliminate duplicates Z: 26 34.777 2.055 0.800 0.814 1.000 0.440 CB 1.430 26 residues pruned to eliminate duplicates Z: 41 32.887 2.032 0.793 0.737 0.875 0.275 CB 1.319 41 residues pruned to eliminate duplicates Z: 19 28.406 2.070 0.806 0.873 0.944 0.667 CB 1.382 19 residues pruned to eliminate duplicates Z: 21 37.066 2.052 1.030 0.949 1.000 0.400 CB 1.373 21 residues pruned to eliminate duplicates Z: 22 36.505 2.135 0.826 0.898 1.000 0.333 CB 1.461 22 residues pruned to eliminate duplicates Z: 17 33.799 2.092 1.108 0.939 0.938 0.375 CB 1.420 17 residues pruned to eliminate duplicates Z: 23 34.995 2.085 0.917 0.910 0.955 0.500 CB 1.387 23 residues pruned to eliminate duplicates Z: 23 32.623 2.105 0.850 0.858 0.909 0.318 CB 1.446 23 residues pruned to eliminate duplicates Z: 24 29.215 2.039 0.757 0.852 0.913 0.348 CB 1.377 24 residues pruned to eliminate duplicates 509 residues left after pruning, divided into chains as follows: A: 6 B: 36 C: 11 D: 14 E: 172 F: 36 G: 18 H: 13 I: 45 J: 19 K: 13 L: 35 M: 91 CC for partial structure against native data = 37.49 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.396, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.450, Connect. = 0.730 for dens.mod. cycle 2 = 0.301, Contrast = 0.539, Connect. = 0.763 for dens.mod. cycle 3 = 0.300, Contrast = 0.546, Connect. = 0.764 for dens.mod. cycle 4 = 0.301, Contrast = 0.556, Connect. = 0.765 for dens.mod. cycle 5 = 0.301, Contrast = 0.561, Connect. = 0.766 for dens.mod. cycle 6 = 0.301, Contrast = 0.567, Connect. = 0.768 for dens.mod. cycle 7 = 0.301, Contrast = 0.570, Connect. = 0.768 for dens.mod. cycle 8 = 0.301, Contrast = 0.573, Connect. = 0.769 for dens.mod. cycle 9 = 0.301, Contrast = 0.576, Connect. = 0.770 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.35 - 3.44 - 3.00 - 2.73 - 2.53 - 2.38 - 2.26 - 2.16 - 2.08 - 2.00 0.690 0.705 0.652 0.687 0.706 0.684 0.625 0.562 0.515 0.489 0.848 0.875 0.824 0.865 0.889 0.857 0.782 0.709 0.652 0.630 N 4065 4113 4091 3976 4152 4110 4056 4144 3907 3925 Estimated mean FOM = 0.632 Pseudo-free CC = 65.33 % Best trace (cycle 4 with CC 37.49%) was saved as ./1z82-2.0-parrot-noncs/1z82-2.0-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.5 - Setup, data input and phasing 3.3 - FFTs and peak-searches 14.5 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 1261.6 - Tripeptide search 6020.1 - Chain tracing 0.0 - NCS analysis 28.1 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:15:07 Total time: 7328.88 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 122.84 Used memory is bytes: 18436672