++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:30:16 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: ./2fna-2.0-parrot-noncs/2fna-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2fna-2.0-parrot-noncs/2fna-2.0-parrot-noncs.ins Phases from ./2fna-2.0-parrot-noncs/2fna-2.0-parrot-noncs.phi Native data from ./2fna-2.0-parrot-noncs/2fna-2.0-parrot-noncs.hkl Listing output to ./2fna-2.0-parrot-noncs/2fna-2.0-parrot-noncs.lst Phases output to ./2fna-2.0-parrot-noncs/2fna-2.0-parrot-noncs.phs Poly-Ala trace output to ./2fna-2.0-parrot-noncs/2fna-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 53519 Reflections read from file ./2fna-2.0-parrot-noncs/2fna-2.0-parrot-noncs.phi 53519 Reflections read from file ./2fna-2.0-parrot-noncs/2fna-2.0-parrot-noncs.hkl 53519 Unique data, highest resolution = 2.001 Angstroms Anisotropic scaling: intensities multiplied by 0.000021h^2 +0.000076k^2 -0.000117l^2 +0.000000kl -0.000097hl +0.000000hk 906 Reflections with d > 2.201 and 0 in range 2.201 > d > 2.001 added Density sharpening factor set to 0.75 Fourier grid = 128 x 256 x 54 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|> = 0.668 = 0.236, Contrast = 0.100, Connect. = 0.620 for dens.mod. cycle 1 = 0.260, Contrast = 0.264, Connect. = 0.642 for dens.mod. cycle 2 = 0.287, Contrast = 0.434, Connect. = 0.715 for dens.mod. cycle 3 = 0.299, Contrast = 0.524, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.577, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.615, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.640, Connect. = 0.780 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.666, Connect. = 0.789 for dens.mod. cycle 9 = 0.300, Contrast = 0.672, Connect. = 0.791 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3630 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 871 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 12.395 1.818 0.807 0.753 0.875 0.625 CB 1.217 B: 15 14.771 1.881 0.698 0.834 1.000 0.857 CB 0.926 C: 28 44.137 2.088 1.063 0.923 0.963 0.667 CB 1.440 D: 26 39.918 2.160 0.897 0.922 0.920 0.760 CB 1.489 26 residues pruned to eliminate duplicates E: 27 27.831 1.911 0.607 0.920 1.000 0.808 CB 1.252 F: 29 40.615 2.089 0.892 0.910 0.964 0.679 CB 1.428 29 residues pruned to eliminate duplicates G: 30 37.192 2.052 0.941 0.863 0.931 0.552 CB 1.366 30 residues pruned to eliminate duplicates H: 14 23.151 2.012 1.018 0.902 1.000 0.692 CB 1.129 15 residues pruned to eliminate duplicates I: 47 46.676 1.985 0.918 0.834 0.957 0.630 CB 1.416 29 residues pruned to eliminate duplicates J: 15 25.337 1.856 1.006 0.908 1.000 0.714 CA 1.293 K: 25 24.197 1.884 0.677 0.917 0.958 0.875 CB 1.151 25 residues pruned to eliminate duplicates L: 27 42.901 2.159 1.087 0.913 0.923 0.615 CB 1.431 27 residues pruned to eliminate duplicates M: 26 40.850 2.174 1.062 0.922 0.920 0.440 CB 1.393 26 residues pruned to eliminate duplicates N: 27 42.013 2.149 0.957 0.921 0.923 0.731 CB 1.494 27 residues pruned to eliminate duplicates O: 33 28.278 1.911 0.715 0.670 0.969 0.750 CB 1.346 P: 24 22.724 1.882 0.490 0.916 0.957 0.826 CB 1.248 24 residues pruned to eliminate duplicates Q: 27 42.806 2.119 0.902 0.923 1.000 0.577 CB 1.465 27 residues pruned to eliminate duplicates R: 29 29.147 1.884 0.841 0.866 0.929 0.750 CB 1.251 28 residues pruned to eliminate duplicates S: 28 40.417 2.126 0.913 0.909 0.926 0.741 CB 1.466 28 residues pruned to eliminate duplicates T: 28 38.653 2.118 0.841 0.908 0.963 0.630 CB 1.407 28 residues pruned to eliminate duplicates U: 9 11.403 2.098 0.151 0.814 1.000 0.750 CB 1.270 V: 9 15.612 2.123 0.369 0.738 1.000 0.750 CB 1.534 9 residues pruned to eliminate duplicates W: 16 23.757 1.808 0.911 0.883 1.000 0.533 CA 1.283 X: 17 19.117 1.826 0.668 0.869 0.938 0.812 CB 1.222 Y: 27 27.289 1.835 0.664 0.886 1.000 0.769 CB 1.265 27 residues pruned to eliminate duplicates Z: 11 13.135 1.980 0.439 0.863 1.000 0.900 CB 1.069 11 residues pruned to eliminate duplicates Z: 15 24.155 1.952 0.901 0.852 0.929 0.929 CB 1.386 17 residues pruned to eliminate duplicates Z: 27 43.948 2.146 1.113 0.929 0.962 0.423 CB 1.383 27 residues pruned to eliminate duplicates Z: 15 23.142 1.884 0.768 0.788 1.000 0.571 CA 1.441 15 residues pruned to eliminate duplicates Z: 32 27.487 1.925 0.628 0.702 0.935 0.710 CB 1.401 33 residues pruned to eliminate duplicates Z: 26 45.611 2.203 0.921 0.943 0.960 0.760 CB 1.556 26 residues pruned to eliminate duplicates Z: 14 21.263 1.981 0.781 0.925 0.923 0.769 CB 1.271 Z: 18 19.931 1.749 0.736 0.878 1.000 0.765 CB 1.156 17 residues pruned to eliminate duplicates Z: 10 12.808 1.922 0.865 0.627 0.778 0.778 CB 1.359 Z: 24 26.673 1.900 0.699 0.914 0.957 0.826 CB 1.274 24 residues pruned to eliminate duplicates Z: 15 21.466 1.839 0.907 0.881 0.929 0.571 CA 1.275 15 residues pruned to eliminate duplicates Z: 16 26.747 1.930 0.977 0.867 0.933 0.867 CB 1.419 15 residues pruned to eliminate duplicates Z: 40 42.781 1.957 0.988 0.837 0.897 0.641 CB 1.467 40 residues pruned to eliminate duplicates Z: 10 12.324 1.884 0.486 0.781 1.000 0.556 CB 1.146 10 residues pruned to eliminate duplicates Z: 31 36.753 2.084 0.780 0.867 0.933 0.733 CB 1.418 31 residues pruned to eliminate duplicates Z: 9 8.491 1.954 0.467 0.614 0.875 0.625 CB 1.074 9 residues pruned to eliminate duplicates Z: 25 12.876 1.709 0.583 0.472 0.833 0.458 CB 1.199 Z: 12 14.000 1.782 0.489 0.801 1.000 0.818 CB 1.222 Z: 13 21.464 1.996 0.755 0.867 1.000 0.750 CA 1.293 14 residues pruned to eliminate duplicates Z: 13 22.245 1.807 1.021 0.912 1.000 0.583 CB 1.245 Z: 13 31.648 2.023 1.112 0.933 1.000 1.000 CB 1.492 14 residues pruned to eliminate duplicates Z: 33 38.159 2.021 0.795 0.849 0.938 0.719 CB 1.470 33 residues pruned to eliminate duplicates Z: 14 23.170 2.020 1.085 0.887 1.000 0.846 CB 1.100 13 residues pruned to eliminate duplicates Z: 11 10.831 1.633 0.735 0.813 0.900 0.700 CA 1.024 11 residues pruned to eliminate duplicates Z: 27 30.519 1.930 0.892 0.910 0.923 0.731 CB 1.260 27 residues pruned to eliminate duplicates Z: 9 9.595 1.745 0.259 0.849 0.875 0.625 CB 1.309 9 residues pruned to eliminate duplicates Z: 7 2.882 1.618 0.578 0.213 0.667 0.500 CB 0.969 Z: 10 14.968 1.826 0.683 0.887 1.000 0.778 CB 1.170 Z: 15 23.227 1.881 0.831 0.896 1.000 0.786 CA 1.292 15 residues pruned to eliminate duplicates Z: 17 18.388 1.776 0.540 0.887 1.000 0.938 CB 1.212 17 residues pruned to eliminate duplicates Z: 8 13.820 1.839 0.684 0.895 1.000 1.000 CB 1.209 Z: 14 25.981 1.934 0.869 0.915 1.000 1.000 CA 1.409 15 residues pruned to eliminate duplicates Z: 15 25.326 1.865 0.995 0.890 1.000 0.643 CA 1.308 15 residues pruned to eliminate duplicates Z: 14 21.487 1.867 0.952 0.852 0.923 0.769 CA 1.310 13 residues pruned to eliminate duplicates Z: 27 40.775 2.135 0.810 0.915 0.962 0.808 CB 1.521 27 residues pruned to eliminate duplicates Z: 15 23.610 1.911 0.913 0.846 0.929 0.929 CA 1.381 15 residues pruned to eliminate duplicates Z: 25 27.898 1.891 0.803 0.914 1.000 0.708 CB 1.182 25 residues pruned to eliminate duplicates Z: 49 23.861 1.938 0.708 0.424 0.896 0.583 CB 1.257 37 residues pruned to eliminate duplicates Z: 13 20.721 1.858 1.076 0.861 0.917 0.833 CB 1.243 14 residues pruned to eliminate duplicates Z: 26 48.522 2.207 0.942 0.914 1.000 0.880 CB 1.601 26 residues pruned to eliminate duplicates Z: 34 29.358 1.942 0.860 0.630 0.939 0.636 CB 1.333 33 residues pruned to eliminate duplicates Z: 13 16.516 2.020 0.623 0.891 1.000 0.833 CB 1.046 13 residues pruned to eliminate duplicates Z: 16 24.220 1.834 0.938 0.897 1.000 1.000 CA 1.259 16 residues pruned to eliminate duplicates Z: 15 22.107 1.858 0.760 0.900 0.929 0.929 CB 1.391 15 residues pruned to eliminate duplicates Z: 19 18.288 1.814 0.409 0.914 1.000 0.944 CA 1.193 Z: 7 10.179 1.824 0.484 0.822 0.833 0.833 CB 1.393 7 residues pruned to eliminate duplicates Z: 8 6.910 1.676 0.534 0.803 0.571 0.571 CA 1.365 8 residues pruned to eliminate duplicates Z: 18 21.507 1.946 0.722 0.894 1.000 0.882 CB 1.117 18 residues pruned to eliminate duplicates Z: 23 29.338 1.947 0.718 0.947 1.000 0.909 CB 1.292 23 residues pruned to eliminate duplicates Z: 10 19.579 1.896 1.177 0.919 1.000 0.667 CB 1.115 10 residues pruned to eliminate duplicates Z: 7 6.214 1.670 0.554 0.557 0.833 0.500 CB 1.109 7 residues pruned to eliminate duplicates Z: 15 17.167 1.834 0.557 0.898 1.000 0.857 CA 1.149 15 residues pruned to eliminate duplicates Z: 16 31.832 1.895 1.463 0.908 1.000 0.800 CB 1.251 14 residues pruned to eliminate duplicates Z: 40 27.455 1.988 0.834 0.443 0.949 0.538 CB 1.347 40 residues pruned to eliminate duplicates Z: 25 28.839 1.882 0.752 0.925 0.958 0.833 CB 1.307 25 residues pruned to eliminate duplicates Z: 12 7.581 1.613 0.715 0.352 0.909 0.545 CA 1.067 Z: 29 39.413 2.041 0.922 0.871 0.929 0.786 CB 1.492 29 residues pruned to eliminate duplicates Z: 7 15.984 1.921 1.368 0.542 1.000 0.667 CB 1.377 7 residues pruned to eliminate duplicates Z: 9 17.450 1.985 0.685 0.886 1.000 0.875 CA 1.331 Z: 17 23.501 1.740 1.074 0.881 0.938 0.812 CA 1.258 17 residues pruned to eliminate duplicates Z: 7 14.024 1.856 0.660 0.773 1.000 0.833 CB 1.459 7 residues pruned to eliminate duplicates Z: 8 14.709 1.971 0.546 0.893 1.000 0.714 CA 1.310 8 residues pruned to eliminate duplicates Z: 11 12.296 1.760 0.714 0.577 0.800 0.500 CB 1.496 11 residues pruned to eliminate duplicates Z: 14 27.532 2.002 0.845 0.914 1.000 1.000 CB 1.462 14 residues pruned to eliminate duplicates Z: 15 28.110 1.834 0.919 0.889 1.000 0.714 CB 1.537 15 residues pruned to eliminate duplicates Z: 16 25.790 1.820 0.953 0.926 1.000 0.800 CA 1.314 16 residues pruned to eliminate duplicates Z: 9 12.528 1.886 0.491 0.882 0.875 0.750 CA 1.302 Z: 17 12.327 1.631 0.470 0.884 1.000 0.875 CB 0.929 11 residues pruned to eliminate duplicates Z: 10 15.505 1.682 0.706 0.865 1.000 1.000 CB 1.320 7 residues pruned to eliminate duplicates Z: 16 17.950 1.812 0.744 0.871 1.000 0.600 CB 1.069 16 residues pruned to eliminate duplicates Z: 11 12.792 1.752 0.322 0.850 1.000 1.000 CA 1.293 10 residues pruned to eliminate duplicates Z: 18 17.771 1.749 0.598 0.793 0.941 0.824 CB 1.268 Z: 12 10.887 1.716 0.427 0.894 1.000 0.818 CA 0.962 12 residues pruned to eliminate duplicates Z: 15 11.922 1.589 0.372 0.867 0.929 0.714 CB 1.152 Z: 13 13.195 1.698 0.566 0.778 1.000 0.667 CB 1.121 12 residues pruned to eliminate duplicates Z: 13 16.242 1.854 0.722 0.901 0.917 0.833 CB 1.144 13 residues pruned to eliminate duplicates Z: 17 19.933 1.988 0.436 0.914 1.000 0.938 CB 1.234 17 residues pruned to eliminate duplicates Z: 37 25.167 1.926 0.646 0.664 0.861 0.722 CB 1.320 27 residues pruned to eliminate duplicates Z: 44 26.572 2.003 0.865 0.452 0.837 0.488 CB 1.361 44 residues pruned to eliminate duplicates Z: 13 17.321 1.868 0.821 0.845 0.917 0.750 CB 1.193 13 residues pruned to eliminate duplicates Z: 27 46.481 2.175 1.131 0.937 0.962 0.500 CB 1.423 27 residues pruned to eliminate duplicates Z: 13 10.914 1.589 0.295 0.922 1.000 0.833 CB 1.077 6 1.766 1.520 0.158 0.423 0.600 0.600 CB 0.811 ? Z: 15 23.697 1.920 0.999 0.935 1.000 0.857 CA 1.150 15 residues pruned to eliminate duplicates Z: 7 16.326 1.853 0.836 0.769 1.000 0.500 CA 1.544 7 residues pruned to eliminate duplicates Z: 14 10.329 1.609 0.397 0.896 0.846 0.692 CB 1.079 14 residues pruned to eliminate duplicates Z: 15 15.352 1.729 0.357 0.916 1.000 0.714 CB 1.234 15 residues pruned to eliminate duplicates Z: 6 2.484 1.602 -0.166 0.662 0.800 0.600 CB 0.894 Z: 15 14.047 1.855 0.573 0.784 0.786 0.643 CB 1.275 15 residues pruned to eliminate duplicates Z: 10 6.991 1.564 0.548 0.666 0.667 0.444 CB 1.238 Z: 27 43.787 2.195 0.859 0.927 1.000 0.885 CB 1.475 27 residues pruned to eliminate duplicates Z: 13 27.858 2.025 0.933 0.907 1.000 0.917 CB 1.460 13 residues pruned to eliminate duplicates Z: 12 14.391 1.792 0.702 0.819 1.000 0.818 CB 1.078 12 residues pruned to eliminate duplicates Z: 14 27.556 1.988 1.262 0.913 1.000 0.692 CB 1.203 14 residues pruned to eliminate duplicates Z: 10 5.730 1.621 0.477 0.325 0.778 0.556 N 1.244 Z: 24 31.062 1.939 0.774 0.935 1.000 0.870 CB 1.313 24 residues pruned to eliminate duplicates Z: 11 9.032 1.741 0.770 0.334 1.000 0.300 CA 1.112 11 residues pruned to eliminate duplicates Z: 11 13.539 1.891 0.727 0.787 0.900 0.600 CB 1.132 8 residues pruned to eliminate duplicates Z: 10 8.594 1.861 0.346 0.824 0.889 0.667 CB 0.972 10 residues pruned to eliminate duplicates Z: 17 18.449 1.830 0.832 0.889 0.875 0.812 CB 1.132 17 residues pruned to eliminate duplicates Z: 16 17.640 1.843 0.537 0.882 0.933 0.800 CA 1.247 15 residues pruned to eliminate duplicates Z: 15 23.239 1.829 0.944 0.937 1.000 0.786 CB 1.216 16 residues pruned to eliminate duplicates Z: 17 22.920 1.934 0.740 0.912 1.000 0.812 CB 1.206 17 residues pruned to eliminate duplicates Z: 15 22.651 1.910 0.652 0.846 1.000 0.857 CA 1.426 15 residues pruned to eliminate duplicates Z: 8 13.803 2.022 0.674 0.765 0.857 0.714 CB 1.422 8 residues pruned to eliminate duplicates Z: 12 12.997 1.788 0.655 0.900 1.000 0.545 CB 0.946 12 residues pruned to eliminate duplicates Z: 11 11.980 1.579 0.915 0.851 1.000 0.600 CA 0.927 11 residues pruned to eliminate duplicates Z: 8 3.942 1.854 0.248 0.289 0.571 0.429 CB 1.429 Z: 28 40.199 2.102 0.858 0.908 0.963 0.815 CB 1.461 28 residues pruned to eliminate duplicates Z: 20 14.890 1.732 0.544 0.606 0.895 0.737 CB 1.291 20 residues pruned to eliminate duplicates Z: 9 14.335 1.963 0.419 0.839 1.000 0.625 CB 1.358 9 residues pruned to eliminate duplicates Z: 17 25.749 2.017 0.939 0.909 1.000 0.875 CB 1.168 17 residues pruned to eliminate duplicates Z: 16 22.391 1.895 0.995 0.927 0.867 0.533 CB 1.236 16 residues pruned to eliminate duplicates Z: 16 26.388 1.858 1.144 0.854 0.933 0.667 CA 1.353 16 residues pruned to eliminate duplicates Z: 17 20.942 1.751 0.838 0.905 1.000 0.750 CB 1.158 17 residues pruned to eliminate duplicates Z: 16 11.730 1.874 0.276 0.558 0.933 0.733 CB 1.283 16 residues pruned to eliminate duplicates Z: 10 12.687 1.718 0.512 0.830 1.000 0.556 CB 1.224 10 residues pruned to eliminate duplicates Z: 9 7.396 1.692 0.736 0.359 0.750 0.625 N 1.381 Z: 15 20.654 1.872 0.639 0.923 1.000 0.786 CA 1.264 15 residues pruned to eliminate duplicates Z: 9 10.585 1.906 0.624 0.782 0.875 0.500 CB 1.078 Z: 26 47.181 2.215 1.030 0.937 1.000 0.800 CB 1.460 26 residues pruned to eliminate duplicates Z: 13 17.920 1.908 0.864 0.727 1.000 0.667 CA 1.185 13 residues pruned to eliminate duplicates Z: 17 23.167 1.995 0.757 0.888 1.000 0.750 CB 1.190 17 residues pruned to eliminate duplicates Z: 8 7.560 1.677 0.546 0.477 0.857 0.571 N 1.317 5 residues pruned to eliminate duplicates Z: 9 14.305 2.051 0.642 0.876 0.875 0.625 CB 1.247 9 residues pruned to eliminate duplicates Z: 9 12.515 1.931 0.551 0.863 1.000 0.875 CB 1.084 9 residues pruned to eliminate duplicates Z: 12 22.888 1.884 0.805 0.915 1.000 1.000 CA 1.435 12 residues pruned to eliminate duplicates Z: 16 15.373 1.943 0.451 0.563 0.933 0.733 CA 1.420 9 residues pruned to eliminate duplicates Z: 25 26.471 1.900 0.740 0.908 0.958 0.667 CB 1.211 25 residues pruned to eliminate duplicates Z: 6 4.981 1.584 0.561 0.336 0.800 0.400 N 1.348 Z: 18 18.895 1.927 0.850 0.845 0.882 0.471 CB 1.083 18 residues pruned to eliminate duplicates Z: 12 6.335 1.644 0.286 0.419 0.818 0.455 CA 1.202 Z: 20 20.253 1.714 0.754 0.867 1.000 0.684 CB 1.131 18 residues pruned to eliminate duplicates Z: 15 14.675 1.654 0.818 0.802 0.786 0.571 CB 1.274 15 residues pruned to eliminate duplicates Z: 17 7.345 1.641 0.380 0.375 0.875 0.625 CA 1.059 26 residues pruned to eliminate duplicates Z: 6 3.491 1.407 0.820 0.708 0.800 0.400 CA 0.631 Z: 16 20.102 1.684 0.758 0.902 0.933 0.800 CB 1.340 16 residues pruned to eliminate duplicates Z: 19 23.736 1.979 0.830 0.653 0.889 0.778 CB 1.507 17 residues pruned to eliminate duplicates Z: 13 6.824 1.723 0.343 0.391 0.833 0.500 CB 1.147 Z: 19 25.538 1.871 0.960 0.897 1.000 0.722 CB 1.175 19 residues pruned to eliminate duplicates Z: 11 12.076 1.838 0.282 0.862 1.000 0.800 CB 1.190 11 residues pruned to eliminate duplicates Z: 17 18.942 1.783 0.816 0.836 1.000 0.500 CB 1.095 17 residues pruned to eliminate duplicates Z: 8 4.678 1.509 0.601 0.446 0.857 0.714 CB 0.902 3 residues pruned to eliminate duplicates Z: 14 28.043 2.014 0.953 0.875 1.000 0.846 CB 1.438 14 residues pruned to eliminate duplicates Z: 8 3.032 1.675 0.526 0.343 0.571 0.429 N 0.931 8 residues pruned to eliminate duplicates Z: 15 27.596 1.856 1.095 0.923 1.000 0.786 CA 1.333 15 residues pruned to eliminate duplicates Z: 23 29.008 1.962 0.637 0.940 1.000 0.909 CB 1.337 23 residues pruned to eliminate duplicates Z: 16 22.930 1.864 0.824 0.864 1.000 0.800 CA 1.277 16 residues pruned to eliminate duplicates Z: 8 13.107 1.853 0.794 0.847 0.857 0.857 CB 1.291 9 residues pruned to eliminate duplicates Z: 9 8.494 1.870 0.637 0.786 0.875 0.875 CB 0.871 9 residues pruned to eliminate duplicates Z: 17 23.334 1.810 1.014 0.896 1.000 0.625 CA 1.146 17 residues pruned to eliminate duplicates Z: 11 12.344 1.537 0.370 0.918 1.000 0.600 CA 1.308 Z: 13 9.646 1.572 0.577 0.876 0.833 0.667 CB 0.980 12 residues pruned to eliminate duplicates Z: 34 29.193 1.928 0.806 0.632 0.909 0.697 CB 1.418 34 residues pruned to eliminate duplicates Z: 8 11.095 1.640 0.633 0.860 1.000 0.714 CA 1.152 Z: 13 25.907 1.927 0.913 0.904 1.000 0.667 CA 1.444 13 residues pruned to eliminate duplicates Z: 13 23.059 2.025 1.195 0.900 1.000 0.667 CB 1.070 13 residues pruned to eliminate duplicates Z: 8 8.380 1.539 1.013 0.614 0.857 0.714 CA 1.071 Z: 8 5.222 1.481 0.525 0.582 0.857 0.429 N 0.943 Z: 18 16.191 1.916 0.474 0.907 0.941 0.882 CA 1.050 18 residues pruned to eliminate duplicates Z: 16 15.054 1.711 0.586 0.883 1.000 0.800 CB 1.036 16 residues pruned to eliminate duplicates Z: 13 31.420 2.008 1.171 0.925 1.000 0.583 CB 1.459 13 residues pruned to eliminate duplicates Z: 9 20.469 2.119 0.673 0.816 1.000 0.750 CB 1.552 17 residues pruned to eliminate duplicates Z: 12 17.877 2.016 0.990 0.763 1.000 0.636 CB 1.064 13 residues pruned to eliminate duplicates Z: 6 8.071 1.726 0.233 0.808 1.000 1.000 CA 1.296 6 residues pruned to eliminate duplicates Z: 56 24.529 1.923 0.730 0.447 0.873 0.509 CB 1.203 56 residues pruned to eliminate duplicates Z: 6 2.723 1.446 0.097 0.372 0.800 0.200 N 1.099 Z: 26 48.588 2.197 1.028 0.939 1.000 0.800 CB 1.516 26 residues pruned to eliminate duplicates Z: 15 21.742 1.851 0.668 0.917 1.000 0.857 CB 1.329 15 residues pruned to eliminate duplicates Z: 9 9.044 1.724 0.860 0.445 0.875 0.375 CB 1.206 Z: 19 24.225 1.720 0.948 0.879 1.000 0.667 CB 1.235 20 residues pruned to eliminate duplicates Z: 17 9.833 1.873 0.497 0.354 0.812 0.688 CB 1.264 Z: 24 25.335 1.884 0.609 0.919 0.957 0.609 CB 1.284 24 residues pruned to eliminate duplicates Z: 6 2.651 1.496 0.870 0.617 0.400 0.400 CB 0.948 Z: 15 4.941 1.583 0.750 0.205 0.571 0.357 N 1.183 Z: 27 31.040 1.899 0.713 0.929 0.962 0.885 CB 1.362 27 residues pruned to eliminate duplicates Z: 10 22.513 2.049 1.026 0.845 1.000 0.444 CA 1.343 10 residues pruned to eliminate duplicates Z: 8 3.977 1.589 0.532 0.377 0.571 0.429 CB 1.232 8 residues pruned to eliminate duplicates Z: 31 27.805 2.035 0.504 0.878 0.900 0.800 CB 1.337 31 residues pruned to eliminate duplicates Z: 16 19.382 1.954 0.558 0.785 0.933 0.800 CA 1.371 16 residues pruned to eliminate duplicates Z: 27 29.140 1.857 0.761 0.931 0.962 0.731 CB 1.270 27 residues pruned to eliminate duplicates Z: 9 16.802 2.001 0.511 0.884 1.000 0.875 CA 1.419 9 residues pruned to eliminate duplicates Z: 7 14.863 1.963 0.904 0.880 0.833 0.667 CA 1.412 7 residues pruned to eliminate duplicates Z: 6 12.958 1.730 1.036 0.702 1.000 0.600 CB 1.369 8 residues pruned to eliminate duplicates Z: 17 13.269 1.612 0.485 0.883 0.875 0.750 CB 1.145 17 residues pruned to eliminate duplicates Z: 36 20.910 1.754 0.743 0.569 0.914 0.600 CB 1.182 49 residues pruned to eliminate duplicates Z: 10 14.722 1.799 0.657 0.921 1.000 1.000 CB 1.159 9 residues pruned to eliminate duplicates Z: 12 15.064 1.931 0.823 0.675 0.818 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 17 22.400 1.830 1.075 0.885 0.875 0.812 CB 1.217 17 residues pruned to eliminate duplicates Z: 9 6.018 1.578 0.489 0.454 0.750 0.500 N 1.267 Z: 9 18.854 2.124 0.946 0.915 1.000 0.500 CB 1.139 9 residues pruned to eliminate duplicates Z: 23 29.972 1.983 0.871 0.939 0.955 0.773 CB 1.254 23 residues pruned to eliminate duplicates Z: 11 9.709 1.547 0.234 0.896 0.900 0.700 O 1.280 11 residues pruned to eliminate duplicates Z: 13 9.522 1.681 0.643 0.481 0.917 0.667 CB 1.106 13 residues pruned to eliminate duplicates Z: 14 23.719 1.857 1.057 0.918 1.000 0.769 CB 1.215 14 residues pruned to eliminate duplicates Z: 12 10.468 1.567 0.395 0.780 1.000 0.636 CB 1.127 Z: 28 30.928 1.923 0.765 0.922 0.926 0.481 CB 1.332 28 residues pruned to eliminate duplicates Z: 16 23.677 2.006 0.702 0.912 1.000 0.733 CB 1.268 16 residues pruned to eliminate duplicates Z: 13 25.319 1.916 0.966 0.938 1.000 0.917 CA 1.350 13 residues pruned to eliminate duplicates Z: 12 3.112 1.651 -0.050 0.271 0.727 0.636 CA 1.067 12 residues pruned to eliminate duplicates Z: 13 9.806 1.703 0.315 0.811 0.833 0.583 CB 1.157 13 residues pruned to eliminate duplicates Z: 22 10.150 1.805 0.388 0.385 0.810 0.333 CB 1.234 25 residues pruned to eliminate duplicates Z: 15 28.068 1.875 1.149 0.918 1.000 0.786 CA 1.312 16 residues pruned to eliminate duplicates Z: 15 18.263 1.859 0.707 0.834 0.857 0.714 CA 1.346 15 residues pruned to eliminate duplicates Z: 16 21.884 1.837 0.759 0.875 1.000 0.867 CA 1.271 16 residues pruned to eliminate duplicates Z: 9 9.971 1.521 0.725 0.697 0.875 0.500 CA 1.282 9 residues pruned to eliminate duplicates Z: 15 21.990 1.918 0.982 0.905 1.000 0.786 CA 1.100 14 residues pruned to eliminate duplicates Z: 21 20.191 1.971 0.989 0.561 0.850 0.400 CB 1.278 21 residues pruned to eliminate duplicates Z: 11 12.372 2.033 0.725 0.877 0.900 0.600 CB 0.900 11 residues pruned to eliminate duplicates Z: 14 18.324 1.907 0.964 0.780 0.923 0.615 CB 1.148 14 residues pruned to eliminate duplicates Z: 11 14.082 1.701 0.625 0.867 0.900 0.700 CB 1.310 11 residues pruned to eliminate duplicates Z: 12 14.853 1.780 0.802 0.875 1.000 0.727 CB 1.015 12 residues pruned to eliminate duplicates Z: 9 4.276 1.562 0.215 0.412 0.750 0.500 N 1.164 Z: 10 7.414 1.645 0.556 0.454 0.889 0.333 CB 1.138 Z: 21 19.620 1.836 0.471 0.851 0.950 0.750 CB 1.266 21 residues pruned to eliminate duplicates Z: 17 20.520 1.747 0.703 0.916 1.000 0.938 CB 1.218 17 residues pruned to eliminate duplicates Z: 19 9.294 1.384 0.502 0.840 0.944 0.833 CB 0.833 Z: 17 13.967 1.823 0.794 0.646 0.812 0.500 CB 1.147 4 residues pruned to eliminate duplicates Z: 13 14.559 1.694 0.744 0.839 1.000 0.833 CB 1.063 13 residues pruned to eliminate duplicates Z: 25 40.216 2.157 1.101 0.936 0.917 0.375 CB 1.377 25 residues pruned to eliminate duplicates Z: 29 17.420 1.811 0.786 0.584 0.857 0.393 CB 1.096 29 residues pruned to eliminate duplicates Z: 15 26.959 1.912 1.271 0.911 1.000 0.643 CB 1.176 15 residues pruned to eliminate duplicates Z: 15 22.459 1.894 0.620 0.878 1.000 0.929 CA 1.419 15 residues pruned to eliminate duplicates Z: 6 2.104 1.524 0.110 0.479 0.600 0.600 CA 0.947 6 residues pruned to eliminate duplicates Z: 23 9.781 1.864 0.329 0.286 0.909 0.455 CB 1.178 23 residues pruned to eliminate duplicates Z: 9 17.885 1.950 0.614 0.893 1.000 0.875 CA 1.442 9 residues pruned to eliminate duplicates Z: 9 15.859 1.877 1.042 0.882 0.875 0.750 CB 1.210 9 residues pruned to eliminate duplicates Z: 6 6.058 1.394 0.695 0.690 1.000 0.600 CA 0.963 Z: 7 6.974 1.583 0.403 0.770 1.000 0.500 CA 1.010 Z: 10 7.059 1.714 0.437 0.485 0.667 0.444 CB 1.455 10 residues pruned to eliminate duplicates Z: 10 9.319 1.711 0.252 0.843 0.889 0.889 CB 1.215 10 residues pruned to eliminate duplicates Z: 14 24.563 1.956 0.694 0.831 1.000 0.692 CA 1.544 15 residues pruned to eliminate duplicates Z: 12 7.280 1.573 0.707 0.345 0.818 0.455 CB 1.182 10 residues pruned to eliminate duplicates Z: 15 27.456 1.826 0.891 0.922 1.000 1.000 CB 1.494 15 residues pruned to eliminate duplicates Z: 24 22.473 1.953 0.827 0.503 0.913 0.565 CB 1.434 16 residues pruned to eliminate duplicates Z: 10 13.571 1.835 0.571 0.904 1.000 0.778 CB 1.118 10 residues pruned to eliminate duplicates Z: 14 19.437 1.930 0.864 0.820 0.923 0.769 CB 1.230 14 residues pruned to eliminate duplicates Z: 6 4.718 1.469 0.984 0.292 0.800 0.600 CA 1.142 6 residues pruned to eliminate duplicates Z: 7 5.874 1.541 0.250 0.733 0.833 0.333 CB 1.211 13 residues pruned to eliminate duplicates Z: 8 7.314 1.732 0.619 0.650 0.714 0.571 CB 1.200 12 residues pruned to eliminate duplicates Z: 24 19.079 1.831 0.622 0.644 0.870 0.826 CB 1.347 24 residues pruned to eliminate duplicates Z: 29 17.212 1.860 0.462 0.638 0.857 0.679 CB 1.227 29 residues pruned to eliminate duplicates Z: 15 11.589 1.496 0.488 0.884 1.000 0.786 CB 1.005 16 residues pruned to eliminate duplicates Z: 13 17.518 2.003 1.220 0.905 0.917 0.833 CB 0.883 12 residues pruned to eliminate duplicates Z: 18 6.878 1.458 0.462 0.428 0.882 0.588 CB 0.957 12 residues pruned to eliminate duplicates Z: 16 22.899 2.012 1.004 0.794 1.000 0.800 CB 1.133 14 residues pruned to eliminate duplicates Z: 15 27.499 1.938 1.077 0.937 1.000 0.643 CA 1.271 15 residues pruned to eliminate duplicates Z: 9 12.193 1.602 0.512 0.890 1.000 0.625 CB 1.281 9 residues pruned to eliminate duplicates Z: 19 15.420 1.690 0.230 0.905 1.000 0.944 CB 1.245 19 residues pruned to eliminate duplicates Z: 17 14.020 1.929 0.691 0.607 0.750 0.750 CA 1.294 17 residues pruned to eliminate duplicates Z: 6 8.326 1.545 0.430 0.730 1.000 0.600 C 1.371 Z: 21 19.244 1.923 0.416 0.790 1.000 0.800 CA 1.225 21 residues pruned to eliminate duplicates Z: 16 20.765 1.828 0.749 0.847 0.933 0.733 CB 1.333 16 residues pruned to eliminate duplicates Z: 16 14.260 1.732 0.547 0.921 1.000 0.933 CB 0.967 16 residues pruned to eliminate duplicates Z: 12 7.157 1.657 0.599 0.420 0.909 0.545 CB 0.974 12 residues pruned to eliminate duplicates Z: 18 18.044 1.740 0.784 0.864 1.000 0.824 CB 1.034 18 residues pruned to eliminate duplicates Z: 28 29.967 1.893 0.850 0.917 0.963 0.593 CB 1.207 28 residues pruned to eliminate duplicates Z: 11 15.283 1.805 0.623 0.851 1.000 0.600 CB 1.221 13 residues pruned to eliminate duplicates Z: 9 13.107 1.712 0.857 0.881 1.000 0.500 CB 1.056 9 residues pruned to eliminate duplicates Z: 8 16.282 1.904 0.728 0.870 1.000 1.000 CB 1.366 8 residues pruned to eliminate duplicates Z: 11 11.261 1.611 0.654 0.883 0.900 0.800 CB 1.074 11 residues pruned to eliminate duplicates Z: 8 8.061 1.594 0.642 0.747 0.857 0.429 CB 1.089 8 residues pruned to eliminate duplicates Z: 10 9.813 1.731 0.313 0.826 0.889 0.778 CB 1.221 10 residues pruned to eliminate duplicates Z: 13 14.234 1.559 0.793 0.845 1.000 0.833 CB 1.092 12 residues pruned to eliminate duplicates Z: 12 9.656 1.694 0.474 0.521 0.909 0.364 CA 1.256 8 residues pruned to eliminate duplicates 6 0.755 1.326 -0.275 0.327 0.600 0.400 CB 0.708 ? Z: 11 14.345 1.763 0.848 0.819 0.900 0.300 CB 1.172 11 residues pruned to eliminate duplicates Z: 25 24.150 1.926 0.629 0.911 0.958 0.750 CB 1.162 25 residues pruned to eliminate duplicates Z: 8 6.658 1.603 0.173 0.830 0.857 0.714 CA 1.174 8 residues pruned to eliminate duplicates Z: 12 14.537 1.590 0.896 0.880 1.000 0.636 CB 1.054 11 residues pruned to eliminate duplicates Z: 26 28.782 1.880 0.831 0.642 0.960 0.640 CB 1.525 26 residues pruned to eliminate duplicates Z: 29 29.567 1.936 0.950 0.801 0.893 0.536 CB 1.275 29 residues pruned to eliminate duplicates Z: 19 19.782 1.711 0.858 0.926 1.000 0.778 CB 1.028 19 residues pruned to eliminate duplicates Z: 11 18.516 1.657 0.941 0.939 1.000 1.000 CA 1.265 13 residues pruned to eliminate duplicates Z: 40 26.673 1.853 0.651 0.648 0.949 0.667 CB 1.282 39 residues pruned to eliminate duplicates Z: 11 12.387 1.762 0.529 0.889 1.000 0.800 CB 1.046 11 residues pruned to eliminate duplicates Z: 15 10.800 1.796 0.443 0.738 0.786 0.786 CB 1.145 15 residues pruned to eliminate duplicates Z: 13 20.257 1.792 0.801 0.839 1.000 0.500 CA 1.352 13 residues pruned to eliminate duplicates Z: 14 23.004 1.777 0.843 0.913 1.000 1.000 CA 1.379 14 residues pruned to eliminate duplicates Z: 9 7.086 1.704 0.770 0.484 0.875 0.625 CB 0.965 9 residues pruned to eliminate duplicates Z: 17 10.034 1.823 0.411 0.362 0.875 0.375 CB 1.292 17 residues pruned to eliminate duplicates Z: 6 2.839 1.325 0.958 0.486 0.600 0.600 CB 0.827 Z: 20 5.502 1.682 0.130 0.312 0.789 0.316 CB 1.036 20 residues pruned to eliminate duplicates Z: 11 9.645 1.903 0.348 0.866 0.700 0.600 CA 1.243 11 residues pruned to eliminate duplicates Z: 17 15.903 1.924 0.301 0.878 1.000 0.938 CB 1.153 17 residues pruned to eliminate duplicates Z: 14 17.386 1.849 0.754 0.886 0.923 0.846 CA 1.162 14 residues pruned to eliminate duplicates Z: 7 3.853 1.490 0.166 0.510 1.000 0.833 CB 0.896 Z: 29 24.438 1.910 0.694 0.665 0.964 0.679 CB 1.270 29 residues pruned to eliminate duplicates Z: 6 3.608 1.451 0.394 0.411 0.800 0.600 CB 1.095 Z: 8 6.104 1.464 0.689 0.461 0.857 0.286 N 1.133 Z: 9 8.825 1.595 0.304 0.896 1.000 1.000 CA 1.074 9 residues pruned to eliminate duplicates Z: 11 11.437 1.635 0.416 0.913 0.900 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 14 25.677 1.880 1.045 0.868 1.000 0.615 CA 1.354 14 residues pruned to eliminate duplicates Z: 18 9.595 1.631 0.472 0.507 0.882 0.471 CB 1.091 18 residues pruned to eliminate duplicates Z: 42 21.191 1.879 0.616 0.443 0.878 0.610 CB 1.316 42 residues pruned to eliminate duplicates Z: 14 13.549 1.587 0.471 0.890 1.000 0.462 CB 1.158 14 residues pruned to eliminate duplicates Z: 10 10.431 1.776 0.359 0.908 0.889 0.778 CB 1.152 10 residues pruned to eliminate duplicates Z: 6 2.786 1.440 0.243 0.513 0.800 0.400 CB 0.858 Z: 8 2.164 1.517 0.041 0.218 0.571 0.571 CB 1.263 Z: 22 14.508 1.936 0.837 0.520 0.810 0.524 CB 1.078 22 residues pruned to eliminate duplicates Z: 10 11.464 1.701 0.489 0.887 0.889 0.667 CB 1.224 10 residues pruned to eliminate duplicates Z: 28 45.045 2.104 1.148 0.898 1.000 0.519 CB 1.372 28 residues pruned to eliminate duplicates Z: 18 17.152 1.738 0.758 0.755 0.882 0.647 CB 1.230 18 residues pruned to eliminate duplicates Z: 12 10.943 1.535 0.318 0.889 0.909 0.818 O 1.292 12 residues pruned to eliminate duplicates Z: 13 13.849 1.803 0.687 0.865 1.000 0.833 CB 0.963 13 residues pruned to eliminate duplicates Z: 31 39.541 2.077 1.028 0.836 0.933 0.567 CB 1.374 31 residues pruned to eliminate duplicates Z: 8 4.087 1.585 0.584 0.527 0.714 0.714 CB 0.839 Z: 6 4.408 1.626 0.060 0.816 0.800 0.600 CB 1.087 6 residues pruned to eliminate duplicates Z: 11 9.457 1.624 0.615 0.646 0.800 0.600 CA 1.244 11 residues pruned to eliminate duplicates Z: 20 18.456 1.711 0.740 0.897 1.000 0.789 CB 1.017 20 residues pruned to eliminate duplicates Z: 7 9.603 1.819 1.026 0.496 0.833 0.500 CA 1.283 Z: 20 10.291 1.668 0.385 0.387 0.895 0.474 CB 1.288 20 residues pruned to eliminate duplicates Z: 39 28.698 1.894 0.707 0.711 0.921 0.579 CB 1.290 39 residues pruned to eliminate duplicates Z: 12 12.108 1.745 0.536 0.747 0.818 0.727 CA 1.336 12 residues pruned to eliminate duplicates Z: 14 22.126 1.864 0.802 0.870 0.923 0.692 CA 1.444 14 residues pruned to eliminate duplicates Z: 16 20.944 1.763 0.865 0.905 0.933 0.667 CB 1.255 16 residues pruned to eliminate duplicates Z: 8 7.453 1.584 0.179 0.889 1.000 1.000 O 1.086 7 residues pruned to eliminate duplicates Z: 10 6.324 1.419 0.647 0.393 0.889 0.667 C 1.136 10 residues pruned to eliminate duplicates Z: 43 16.868 1.826 0.547 0.504 0.833 0.643 CB 1.102 43 residues pruned to eliminate duplicates Z: 11 15.885 1.681 0.786 0.914 1.000 0.900 CB 1.183 10 residues pruned to eliminate duplicates Z: 6 2.554 1.070 0.534 0.530 0.800 0.600 N 0.843 Z: 24 10.880 1.882 0.349 0.354 0.826 0.522 CB 1.267 24 residues pruned to eliminate duplicates Z: 9 9.792 1.694 0.665 0.755 0.875 0.625 CB 1.118 9 residues pruned to eliminate duplicates Z: 17 18.667 1.783 0.822 0.808 0.938 0.688 CA 1.172 17 residues pruned to eliminate duplicates Z: 27 12.149 1.641 0.581 0.487 0.769 0.500 CB 1.209 18 residues pruned to eliminate duplicates Z: 12 9.379 1.505 0.335 0.846 0.909 0.818 O 1.151 12 residues pruned to eliminate duplicates Z: 7 5.506 1.608 1.161 0.223 0.833 0.500 CB 1.074 6 residues pruned to eliminate duplicates Z: 27 47.964 2.167 1.232 0.937 0.962 0.692 CB 1.407 27 residues pruned to eliminate duplicates Z: 7 6.035 1.597 0.473 0.678 0.667 0.667 O 1.334 Z: 11 11.668 1.871 0.620 0.341 1.000 0.900 CB 1.448 11 residues pruned to eliminate duplicates Z: 19 21.421 1.886 0.579 0.910 1.000 0.833 CB 1.202 19 residues pruned to eliminate duplicates Z: 7 8.400 1.736 1.030 0.495 1.000 0.333 CB 0.977 14 residues pruned to eliminate duplicates Z: 25 37.030 2.176 0.804 0.883 0.958 0.708 CB 1.453 25 residues pruned to eliminate duplicates Z: 17 18.537 1.613 0.729 0.894 0.938 0.500 CB 1.272 17 residues pruned to eliminate duplicates Z: 10 8.482 1.806 0.484 0.481 1.000 0.778 CB 1.076 8 residues pruned to eliminate duplicates Z: 6 3.433 1.457 0.370 0.661 0.800 0.600 CB 0.828 Z: 16 8.725 1.536 0.461 0.504 0.800 0.467 CB 1.250 15 residues pruned to eliminate duplicates Z: 7 4.589 1.542 0.590 0.434 0.833 0.500 CA 0.982 Z: 6 2.579 1.316 0.415 0.771 0.800 0.600 CB 0.609 Z: 9 8.581 1.585 0.564 0.637 1.000 0.625 N 1.076 Z: 8 3.829 1.523 0.469 0.481 1.000 0.714 CB 0.659 Z: 11 13.253 1.831 0.650 0.835 1.000 0.800 CA 1.039 11 residues pruned to eliminate duplicates Z: 9 5.507 1.614 0.464 0.618 0.750 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 21 21.931 1.966 0.804 0.473 0.950 0.700 CB 1.495 21 residues pruned to eliminate duplicates Z: 8 8.433 1.761 0.373 0.837 0.857 0.714 CB 1.150 8 residues pruned to eliminate duplicates Z: 16 17.503 1.652 0.665 0.897 0.933 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 14 20.910 2.016 0.904 0.897 1.000 1.000 CB 1.082 14 residues pruned to eliminate duplicates Z: 10 12.958 1.929 0.500 0.822 1.000 0.778 CA 1.129 10 residues pruned to eliminate duplicates Z: 10 8.865 2.014 0.398 0.585 0.889 0.667 CB 1.089 10 residues pruned to eliminate duplicates Z: 10 8.659 1.569 0.768 0.821 0.889 0.556 CA 0.886 10 residues pruned to eliminate duplicates Z: 12 10.230 1.576 0.271 0.810 1.000 0.636 CB 1.176 12 residues pruned to eliminate duplicates Z: 8 6.110 1.630 0.380 0.520 0.857 0.714 CB 1.174 8 residues pruned to eliminate duplicates Z: 36 20.623 1.971 0.698 0.399 0.857 0.486 CB 1.352 36 residues pruned to eliminate duplicates Z: 11 9.768 1.623 0.236 0.884 1.000 1.000 CB 1.113 11 residues pruned to eliminate duplicates Z: 10 15.952 1.780 0.828 0.867 1.000 0.444 CB 1.195 10 residues pruned to eliminate duplicates Z: 8 12.333 1.851 0.735 0.851 1.000 0.857 CB 1.074 8 residues pruned to eliminate duplicates Z: 7 9.651 2.094 0.194 0.891 1.000 1.000 CB 1.133 7 residues pruned to eliminate duplicates Z: 16 21.019 1.808 0.817 0.876 1.000 0.667 CA 1.201 16 residues pruned to eliminate duplicates Z: 11 13.563 1.541 0.767 0.817 1.000 0.800 CA 1.196 11 residues pruned to eliminate duplicates Z: 15 6.773 1.589 0.247 0.511 0.857 0.643 CB 1.053 15 residues pruned to eliminate duplicates Z: 39 33.172 2.008 0.854 0.768 0.921 0.737 CB 1.238 55 residues pruned to eliminate duplicates Z: 16 8.261 1.628 0.280 0.659 0.867 0.667 CB 1.019 16 residues pruned to eliminate duplicates Z: 13 3.526 1.445 0.688 0.221 0.583 0.167 CB 0.993 Z: 12 12.880 1.828 0.627 0.668 0.909 0.727 CB 1.229 12 residues pruned to eliminate duplicates Z: 7 2.505 1.553 0.608 0.246 0.667 0.500 CB 0.824 Z: 10 11.445 1.897 0.765 0.799 0.889 0.778 CB 0.986 25 residues pruned to eliminate duplicates Z: 20 11.380 1.774 0.521 0.491 0.842 0.421 CB 1.159 10 residues pruned to eliminate duplicates Z: 12 5.682 1.549 0.537 0.499 0.727 0.545 CB 0.991 12 residues pruned to eliminate duplicates Z: 15 17.248 1.713 0.674 0.870 0.929 0.714 CB 1.264 15 residues pruned to eliminate duplicates Z: 18 11.012 1.815 0.399 0.567 0.882 0.471 CB 1.117 29 residues pruned to eliminate duplicates Z: 8 8.868 1.677 0.262 0.905 1.000 1.000 CA 1.127 8 residues pruned to eliminate duplicates Z: 24 20.334 1.940 0.393 0.785 0.913 0.826 CB 1.336 24 residues pruned to eliminate duplicates Z: 8 12.614 1.820 0.814 0.815 0.857 0.571 CB 1.282 8 residues pruned to eliminate duplicates 6 1.963 1.481 0.137 0.381 0.600 0.600 CB 0.987 ? Z: 7 8.819 1.648 1.010 0.625 0.833 0.667 CB 1.159 7 residues pruned to eliminate duplicates Z: 19 14.622 1.823 0.572 0.626 0.778 0.500 CA 1.373 19 residues pruned to eliminate duplicates Z: 6 2.479 1.163 0.752 0.338 0.800 0.400 CA 0.811 Z: 10 6.761 1.532 0.464 0.512 1.000 0.667 CB 0.993 9 residues pruned to eliminate duplicates 7 1.988 1.382 -0.097 0.647 1.000 0.667 CB 0.567 ? Z: 10 6.896 1.527 0.473 0.751 0.889 0.333 CB 0.919 10 residues pruned to eliminate duplicates Z: 15 14.218 1.869 0.537 0.676 0.857 0.643 CB 1.313 15 residues pruned to eliminate duplicates Z: 28 22.007 1.771 0.619 0.640 0.963 0.593 CB 1.345 56 residues pruned to eliminate duplicates Z: 14 16.999 1.848 0.696 0.639 1.000 0.692 CB 1.321 14 residues pruned to eliminate duplicates Z: 6 4.627 1.943 -0.094 0.839 0.800 0.200 CB 1.097 6 residues pruned to eliminate duplicates Z: 17 13.048 1.821 0.271 0.495 1.000 0.562 CB 1.415 17 residues pruned to eliminate duplicates Z: 21 21.911 1.873 0.901 0.634 0.900 0.650 CB 1.348 21 residues pruned to eliminate duplicates Z: 25 26.152 1.981 0.788 0.689 0.917 0.500 CB 1.383 25 residues pruned to eliminate duplicates Z: 16 10.596 1.458 0.582 0.789 0.867 0.600 CB 1.062 17 residues pruned to eliminate duplicates Z: 20 21.058 1.700 0.768 0.915 1.000 0.895 CB 1.137 20 residues pruned to eliminate duplicates Z: 35 29.031 1.911 0.767 0.694 0.882 0.529 CA 1.399 35 residues pruned to eliminate duplicates Z: 19 10.088 1.783 0.467 0.387 0.833 0.444 CB 1.230 6 1.002 0.951 0.362 0.297 0.800 0.400 N 0.543 ? Z: 27 30.989 1.930 0.707 0.916 0.962 0.731 CB 1.355 27 residues pruned to eliminate duplicates Z: 6 3.693 1.346 0.165 0.658 0.800 0.200 CB 1.137 Z: 27 25.902 1.870 0.454 0.924 0.962 0.846 CB 1.364 27 residues pruned to eliminate duplicates Z: 15 16.370 1.648 0.527 0.910 0.929 0.714 CB 1.328 Z: 9 5.285 1.399 0.206 0.546 1.000 0.875 CB 1.059 Z: 6 3.006 1.565 0.066 0.317 0.800 0.400 O 1.234 Z: 17 17.163 1.644 0.651 0.923 0.938 0.688 CB 1.185 15 residues pruned to eliminate duplicates Z: 7 3.685 1.328 0.127 0.755 0.833 0.667 CB 0.961 Z: 16 8.612 1.447 0.393 0.758 0.867 0.600 CB 1.012 16 residues pruned to eliminate duplicates Z: 12 8.174 1.576 0.305 0.877 0.909 0.727 CB 0.958 12 residues pruned to eliminate duplicates Z: 24 16.514 1.721 0.824 0.580 0.826 0.522 CB 1.230 24 residues pruned to eliminate duplicates Z: 6 3.167 1.199 0.266 0.513 1.000 0.400 CA 0.921 Z: 12 17.389 1.810 0.991 0.878 0.909 0.727 CA 1.161 12 residues pruned to eliminate duplicates Z: 15 7.372 1.348 0.508 0.688 0.857 0.643 N 0.951 15 residues pruned to eliminate duplicates Z: 7 3.876 1.526 0.521 0.406 0.667 0.667 CA 1.129 7 residues pruned to eliminate duplicates Z: 16 14.361 1.631 0.702 0.877 0.867 0.467 CB 1.120 16 residues pruned to eliminate duplicates Z: 27 29.409 1.895 0.848 0.916 0.962 0.423 CB 1.209 27 residues pruned to eliminate duplicates Z: 12 3.469 1.394 0.231 0.356 0.727 0.364 CB 0.980 7 1.820 1.437 0.170 0.316 0.667 0.667 CA 0.812 ? Z: 16 27.892 1.833 1.408 0.939 0.933 0.733 CB 1.215 16 residues pruned to eliminate duplicates Z: 17 9.709 1.462 0.282 0.766 0.875 0.625 CB 1.169 16 residues pruned to eliminate duplicates Z: 11 13.080 1.694 0.416 0.878 0.900 0.900 CB 1.390 11 residues pruned to eliminate duplicates Z: 10 5.256 1.727 0.380 0.280 0.778 0.444 CB 1.212 8 residues pruned to eliminate duplicates Z: 8 4.753 1.824 0.454 0.803 0.714 0.571 CB 0.728 8 residues pruned to eliminate duplicates Z: 6 10.205 1.510 1.107 0.860 1.000 0.800 CA 1.054 Z: 14 6.089 1.718 0.356 0.314 0.846 0.538 CA 1.053 14 residues pruned to eliminate duplicates Z: 14 11.651 1.434 0.462 0.808 0.923 0.846 CB 1.277 12 residues pruned to eliminate duplicates Z: 25 27.919 2.033 0.717 0.617 1.000 0.833 CB 1.461 25 residues pruned to eliminate duplicates Z: 8 9.681 1.631 0.570 0.837 1.000 0.857 CA 1.069 12 residues pruned to eliminate duplicates Z: 12 3.519 1.557 -0.036 0.419 0.727 0.545 CB 1.057 5 residues pruned to eliminate duplicates Z: 10 5.454 1.431 0.636 0.596 0.778 0.556 CB 0.911 10 residues pruned to eliminate duplicates Z: 19 9.686 1.583 0.355 0.527 0.944 0.556 CB 1.097 21 residues pruned to eliminate duplicates Z: 23 21.264 1.836 0.711 0.632 0.909 0.727 CB 1.403 23 residues pruned to eliminate duplicates Z: 37 29.742 1.987 0.761 0.740 0.944 0.444 CB 1.209 38 residues pruned to eliminate duplicates Z: 16 17.174 1.651 0.664 0.907 0.933 0.467 CB 1.230 16 residues pruned to eliminate duplicates Z: 21 8.501 1.643 0.559 0.313 0.900 0.600 CB 1.015 26 residues pruned to eliminate duplicates Z: 16 15.822 1.792 0.438 0.878 1.000 0.867 CA 1.150 16 residues pruned to eliminate duplicates 6 1.318 1.290 0.094 0.298 0.600 0.400 CB 0.872 ? Z: 7 6.588 1.522 0.331 0.858 0.833 0.833 CA 1.173 7 residues pruned to eliminate duplicates Z: 14 9.938 1.701 0.489 0.472 0.846 0.692 CA 1.324 13 residues pruned to eliminate duplicates Z: 6 5.151 1.346 0.826 0.714 1.000 0.800 CA 0.772 6 residues pruned to eliminate duplicates Z: 9 12.017 1.735 0.751 0.853 0.875 0.875 CB 1.181 9 residues pruned to eliminate duplicates Z: 6 3.657 1.495 0.699 0.706 1.000 0.400 CB 0.534 6 residues pruned to eliminate duplicates Z: 21 19.606 1.781 0.676 0.724 0.950 0.750 CA 1.263 21 residues pruned to eliminate duplicates Z: 15 16.820 1.669 0.557 0.893 0.929 0.643 CB 1.337 16 residues pruned to eliminate duplicates Z: 24 27.333 1.943 0.926 0.776 0.957 0.696 CB 1.248 23 residues pruned to eliminate duplicates Z: 6 5.328 1.741 0.661 0.620 0.600 0.400 O 1.226 6 residues pruned to eliminate duplicates Z: 7 3.046 1.420 0.502 0.247 0.667 0.500 CB 1.171 Z: 8 7.056 1.714 0.881 0.555 0.714 0.714 N 1.098 6 residues pruned to eliminate duplicates Z: 12 10.621 1.506 0.318 0.895 0.909 0.727 O 1.272 12 residues pruned to eliminate duplicates Z: 16 8.219 1.764 0.337 0.534 0.733 0.333 CB 1.187 16 residues pruned to eliminate duplicates Z: 11 9.334 1.522 0.328 0.882 0.800 0.500 O 1.321 11 residues pruned to eliminate duplicates Z: 35 27.202 1.916 0.646 0.666 0.941 0.676 CB 1.348 35 residues pruned to eliminate duplicates Z: 15 20.132 1.865 0.945 0.875 1.000 0.786 CB 1.079 15 residues pruned to eliminate duplicates Z: 9 12.922 2.028 0.497 0.840 1.000 0.875 CB 1.123 9 residues pruned to eliminate duplicates Z: 16 18.841 1.794 0.716 0.869 1.000 0.800 CA 1.154 16 residues pruned to eliminate duplicates Z: 9 7.197 1.605 0.934 0.379 1.000 0.375 CB 0.933 9 residues pruned to eliminate duplicates Z: 12 14.371 1.786 0.914 0.861 0.909 0.636 CA 1.025 12 residues pruned to eliminate duplicates 6 1.896 1.191 0.874 0.449 0.600 0.400 CA 0.667 ? Z: 10 7.612 1.540 0.381 0.775 0.889 0.444 CA 1.052 10 residues pruned to eliminate duplicates Z: 15 17.645 1.958 0.838 0.699 0.929 0.786 CB 1.177 11 residues pruned to eliminate duplicates Z: 15 14.088 1.792 0.548 0.496 1.000 0.571 CA 1.362 33 residues pruned to eliminate duplicates Z: 12 11.029 1.921 0.452 0.554 0.818 0.636 CA 1.382 12 residues pruned to eliminate duplicates Z: 18 9.385 1.462 0.386 0.739 0.824 0.529 CB 1.101 18 residues pruned to eliminate duplicates Z: 15 23.417 1.874 0.846 0.906 1.000 0.929 CA 1.286 14 residues pruned to eliminate duplicates Z: 15 11.836 1.836 0.587 0.579 0.786 0.429 CB 1.281 15 residues pruned to eliminate duplicates Z: 9 5.073 1.783 0.509 0.501 0.875 0.625 CB 0.761 9 residues pruned to eliminate duplicates Z: 6 6.338 1.615 0.465 0.546 1.000 0.400 CA 1.146 12 residues pruned to eliminate duplicates Z: 19 9.610 1.624 0.702 0.478 0.778 0.611 CB 1.077 19 residues pruned to eliminate duplicates Z: 6 2.131 1.438 0.407 0.382 0.600 0.400 CA 0.890 Z: 9 6.355 1.811 0.417 0.403 1.000 0.500 CB 0.970 7 residues pruned to eliminate duplicates Z: 17 24.879 1.738 0.942 0.874 1.000 0.562 CA 1.341 17 residues pruned to eliminate duplicates Z: 28 13.857 1.732 0.516 0.545 0.852 0.556 CB 1.141 28 residues pruned to eliminate duplicates Z: 21 28.557 1.850 1.300 0.696 0.950 0.750 CB 1.321 19 residues pruned to eliminate duplicates 8 1.422 1.254 0.168 0.235 0.571 0.429 CA 0.874 ? Z: 15 8.031 1.598 0.457 0.402 0.857 0.357 CA 1.193 17 residues pruned to eliminate duplicates Z: 30 26.302 1.945 0.777 0.704 0.931 0.690 CB 1.261 34 residues pruned to eliminate duplicates Z: 6 2.642 1.042 0.725 0.687 0.800 0.600 N 0.692 Z: 8 2.819 1.209 0.454 0.533 1.000 0.571 CB 0.587 9 1.392 1.144 0.337 0.231 0.500 0.375 C 0.880 ? 567 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 23 D: 15 E: 12 F: 32 G: 6 H: 16 I: 7 J: 16 K: 38 L: 11 M: 53 N: 10 O: 66 P: 8 Q: 23 R: 51 S: 7 T: 161 CC for partial structure against native data = 35.16 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.467, Connect. = 0.748 for dens.mod. cycle 1 = 0.300, Contrast = 0.540, Connect. = 0.769 for dens.mod. cycle 2 = 0.300, Contrast = 0.647, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.658, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.670, Connect. = 0.799 for dens.mod. cycle 5 = 0.300, Contrast = 0.675, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.680, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 0.683, Connect. = 0.803 for dens.mod. cycle 8 = 0.300, Contrast = 0.686, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 0.687, Connect. = 0.804 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3497 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 852 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 16.862 2.079 0.551 0.767 0.833 0.583 CB 1.429 B: 12 18.758 2.207 0.730 0.871 0.818 0.636 CB 1.320 12 residues pruned to eliminate duplicates C: 13 21.298 2.093 0.677 0.753 0.917 0.583 CB 1.525 13 residues pruned to eliminate duplicates D: 13 18.892 2.140 0.556 0.800 0.917 0.750 CB 1.375 13 residues pruned to eliminate duplicates E: 24 65.363 2.497 1.143 0.920 0.957 0.696 CB 1.875 F: 16 28.838 2.173 0.884 0.847 0.867 0.800 CB 1.557 G: 28 67.457 2.382 1.104 0.929 1.000 0.593 CA 1.812 28 residues pruned to eliminate duplicates H: 23 57.342 2.470 0.930 0.961 0.955 0.909 CA 1.839 23 residues pruned to eliminate duplicates I: 28 49.609 2.385 0.721 0.932 0.926 0.889 CA 1.754 28 residues pruned to eliminate duplicates J: 28 63.140 2.377 1.024 0.928 1.000 0.778 CA 1.769 24 residues pruned to eliminate duplicates K: 46 66.494 2.246 0.940 0.853 0.956 0.311 CB 1.759 28 residues pruned to eliminate duplicates L: 15 41.221 2.215 0.980 0.920 1.000 0.857 CB 1.770 16 residues pruned to eliminate duplicates M: 14 28.635 2.345 0.979 0.918 0.923 0.615 CB 1.307 N: 29 59.732 2.369 1.051 0.917 0.929 0.679 CA 1.766 29 residues pruned to eliminate duplicates O: 26 55.558 2.467 0.908 0.934 0.960 0.920 CA 1.715 26 residues pruned to eliminate duplicates P: 16 29.945 2.146 0.748 0.931 1.000 0.933 CA 1.441 Q: 26 61.588 2.408 1.026 0.927 1.000 0.720 CA 1.769 26 residues pruned to eliminate duplicates R: 14 26.282 2.260 1.079 0.856 1.000 0.615 CB 1.144 14 residues pruned to eliminate duplicates S: 26 64.362 2.480 1.013 0.952 0.960 0.840 CA 1.849 26 residues pruned to eliminate duplicates T: 25 65.203 2.472 1.048 0.957 0.958 0.417 CB 1.883 25 residues pruned to eliminate duplicates U: 14 18.603 2.067 0.724 0.788 0.923 0.615 CB 1.218 14 residues pruned to eliminate duplicates V: 13 19.515 2.308 0.262 0.884 1.000 0.833 CB 1.398 13 residues pruned to eliminate duplicates W: 16 39.356 2.201 0.853 0.904 1.000 0.800 N 1.774 16 residues pruned to eliminate duplicates X: 15 40.563 2.175 1.121 0.935 1.000 1.000 CA 1.637 15 residues pruned to eliminate duplicates Y: 14 49.107 2.353 1.050 0.930 1.000 0.769 CA 1.974 15 residues pruned to eliminate duplicates Z: 25 63.865 2.421 1.045 0.947 0.958 0.458 CB 1.899 25 residues pruned to eliminate duplicates Z: 8 21.956 2.401 0.612 0.802 1.000 0.857 CA 1.647 Z: 28 59.025 2.392 0.921 0.941 0.963 0.741 CA 1.782 28 residues pruned to eliminate duplicates Z: 19 31.918 2.022 0.704 0.829 1.000 0.778 CA 1.643 19 residues pruned to eliminate duplicates Z: 9 16.295 2.014 0.443 0.880 1.000 0.875 CA 1.437 Z: 28 65.870 2.372 1.104 0.931 0.963 0.667 CB 1.844 28 residues pruned to eliminate duplicates Z: 25 63.942 2.440 1.056 0.950 0.958 0.583 CB 1.872 25 residues pruned to eliminate duplicates Z: 15 36.746 2.255 1.240 0.917 1.000 0.643 CB 1.372 14 residues pruned to eliminate duplicates Z: 6 3.217 1.491 0.295 0.781 0.600 0.400 O 0.970 Z: 25 55.903 2.485 0.899 0.917 0.958 0.792 CA 1.781 25 residues pruned to eliminate duplicates Z: 16 28.048 1.971 0.940 0.864 0.933 0.867 CB 1.488 Z: 10 10.965 1.965 0.449 0.532 1.000 0.778 CB 1.244 Z: 28 33.125 2.104 0.448 0.932 0.963 0.852 CA 1.518 Z: 14 24.752 2.355 0.628 0.861 1.000 0.615 CB 1.315 14 residues pruned to eliminate duplicates Z: 10 16.205 1.925 0.561 0.807 0.889 0.556 CA 1.548 Z: 16 41.311 2.189 1.136 0.947 1.000 0.867 CA 1.576 16 residues pruned to eliminate duplicates Z: 45 36.452 2.246 0.731 0.482 0.955 0.614 CB 1.507 13 residues pruned to eliminate duplicates Z: 14 35.506 2.301 0.776 0.906 1.000 0.923 CA 1.714 14 residues pruned to eliminate duplicates Z: 26 39.542 2.138 0.686 0.915 0.960 0.840 CA 1.615 26 residues pruned to eliminate duplicates Z: 17 37.365 2.085 1.188 0.935 0.938 0.750 CA 1.522 17 residues pruned to eliminate duplicates Z: 16 21.478 2.036 0.408 0.873 0.933 0.933 CA 1.510 16 residues pruned to eliminate duplicates Z: 15 36.094 2.041 1.082 0.919 1.000 0.786 CB 1.601 16 residues pruned to eliminate duplicates Z: 26 54.745 2.410 0.779 0.944 1.000 0.960 CA 1.768 26 residues pruned to eliminate duplicates Z: 10 16.698 1.982 0.505 0.770 1.000 0.444 CA 1.469 10 residues pruned to eliminate duplicates Z: 47 50.821 2.152 0.775 0.717 0.978 0.761 CB 1.647 25 residues pruned to eliminate duplicates Z: 16 23.450 2.154 0.757 0.918 1.000 0.667 CB 1.129 Z: 29 35.497 2.086 0.473 0.893 0.964 0.821 CA 1.625 29 residues pruned to eliminate duplicates Z: 7 13.848 1.855 1.236 0.713 0.833 0.833 O 1.349 Z: 18 24.897 2.052 0.697 0.895 1.000 0.706 CB 1.243 16 residues pruned to eliminate duplicates Z: 16 25.566 2.148 0.928 0.907 1.000 0.733 CB 1.133 16 residues pruned to eliminate duplicates Z: 12 15.211 1.725 0.558 0.862 1.000 0.909 CA 1.253 Z: 12 14.035 1.878 0.408 0.707 0.909 0.636 CB 1.458 Z: 11 20.295 2.079 0.738 0.817 0.900 0.800 CB 1.498 Z: 16 19.604 1.842 0.695 0.846 0.867 0.533 CA 1.389 Z: 15 17.017 2.071 0.799 0.484 0.857 0.500 CA 1.448 12 residues pruned to eliminate duplicates Z: 8 20.705 2.382 0.597 0.830 1.000 0.857 CA 1.548 8 residues pruned to eliminate duplicates Z: 27 43.160 2.173 0.682 0.939 0.962 0.769 CA 1.674 28 residues pruned to eliminate duplicates Z: 19 25.111 1.946 0.422 0.936 1.000 0.889 CB 1.490 17 residues pruned to eliminate duplicates Z: 24 65.470 2.526 0.919 0.947 1.000 0.826 CA 1.947 24 residues pruned to eliminate duplicates Z: 16 29.871 2.061 0.874 0.911 0.933 0.600 CB 1.516 16 residues pruned to eliminate duplicates Z: 29 61.733 2.378 1.162 0.901 0.893 0.464 CB 1.813 29 residues pruned to eliminate duplicates Z: 15 37.275 2.145 1.010 0.888 1.000 0.786 CA 1.665 13 residues pruned to eliminate duplicates Z: 25 66.225 2.497 1.115 0.948 0.958 0.750 CA 1.844 25 residues pruned to eliminate duplicates Z: 15 40.460 2.241 1.106 0.894 0.929 0.786 CB 1.770 15 residues pruned to eliminate duplicates Z: 12 12.865 1.752 0.749 0.596 0.909 0.545 CB 1.271 9 residues pruned to eliminate duplicates Z: 27 40.733 2.165 0.836 0.921 0.846 0.538 CB 1.672 27 residues pruned to eliminate duplicates Z: 15 24.235 2.085 0.494 0.877 0.929 0.857 CA 1.626 15 residues pruned to eliminate duplicates Z: 22 19.111 1.879 0.433 0.684 0.905 0.714 CB 1.446 10 residues pruned to eliminate duplicates Z: 27 42.138 2.168 0.556 0.944 1.000 0.808 CA 1.697 27 residues pruned to eliminate duplicates Z: 15 42.152 2.255 1.256 0.912 1.000 0.643 CB 1.568 15 residues pruned to eliminate duplicates Z: 17 19.119 1.822 0.555 0.904 1.000 0.750 CB 1.202 7 residues pruned to eliminate duplicates Z: 23 17.121 1.876 0.767 0.531 0.909 0.455 CB 1.174 9 residues pruned to eliminate duplicates Z: 16 40.590 2.208 1.103 0.896 0.933 0.733 N 1.732 16 residues pruned to eliminate duplicates Z: 7 20.813 2.406 0.726 0.725 1.000 1.000 CA 1.671 7 residues pruned to eliminate duplicates Z: 15 18.895 1.774 0.604 0.835 0.929 0.714 CB 1.432 Z: 12 20.987 2.073 0.966 0.791 0.818 0.455 CB 1.471 11 residues pruned to eliminate duplicates Z: 27 45.094 2.154 0.716 0.938 1.000 0.731 CA 1.663 27 residues pruned to eliminate duplicates Z: 16 28.103 2.009 0.866 0.940 1.000 0.800 CB 1.344 16 residues pruned to eliminate duplicates Z: 9 21.325 2.313 0.605 0.762 1.000 0.625 CA 1.609 8 residues pruned to eliminate duplicates Z: 24 65.015 2.475 1.148 0.945 0.957 0.696 CA 1.844 24 residues pruned to eliminate duplicates Z: 10 11.228 1.713 0.415 0.863 1.000 0.889 CB 1.133 Z: 10 11.044 1.940 0.614 0.571 0.889 0.444 CB 1.236 Z: 45 66.142 2.300 0.898 0.818 0.977 0.659 CA 1.774 46 residues pruned to eliminate duplicates Z: 16 38.962 2.196 1.002 0.930 1.000 0.733 CB 1.600 15 residues pruned to eliminate duplicates Z: 28 43.904 2.135 0.663 0.940 0.963 0.630 CB 1.716 28 residues pruned to eliminate duplicates Z: 11 15.778 1.981 0.374 0.880 1.000 0.800 CB 1.329 11 residues pruned to eliminate duplicates Z: 16 36.966 2.155 0.928 0.935 1.000 0.800 CA 1.600 16 residues pruned to eliminate duplicates Z: 17 33.407 2.129 0.796 0.796 1.000 0.625 CA 1.685 17 residues pruned to eliminate duplicates Z: 13 20.681 2.150 0.759 0.701 0.833 0.583 CB 1.577 13 residues pruned to eliminate duplicates Z: 28 65.884 2.353 1.292 0.939 0.926 0.333 CB 1.765 28 residues pruned to eliminate duplicates Z: 11 16.743 1.883 0.607 0.840 1.000 0.900 CA 1.306 11 residues pruned to eliminate duplicates Z: 16 33.657 2.230 1.346 0.848 1.000 0.533 CB 1.232 16 residues pruned to eliminate duplicates Z: 8 22.668 2.374 0.823 0.762 0.857 0.571 CB 1.830 8 residues pruned to eliminate duplicates Z: 12 21.454 2.020 0.580 0.853 1.000 0.727 CA 1.498 12 residues pruned to eliminate duplicates Z: 54 35.961 2.177 0.640 0.486 0.962 0.472 CB 1.459 56 residues pruned to eliminate duplicates Z: 12 19.828 1.896 0.723 0.840 1.000 0.727 CB 1.366 Z: 11 14.652 1.937 0.304 0.749 1.000 0.600 CA 1.468 11 residues pruned to eliminate duplicates Z: 11 12.232 1.928 0.509 0.720 0.800 0.600 CA 1.363 11 residues pruned to eliminate duplicates Z: 14 38.984 2.294 0.819 0.913 1.000 1.000 CA 1.834 14 residues pruned to eliminate duplicates Z: 20 26.984 1.923 0.671 0.820 0.947 0.737 CA 1.541 20 residues pruned to eliminate duplicates Z: 16 38.044 2.210 0.940 0.902 0.933 0.867 N 1.751 16 residues pruned to eliminate duplicates Z: 16 38.511 2.209 0.963 0.910 0.933 0.800 N 1.742 16 residues pruned to eliminate duplicates Z: 9 17.844 1.964 0.753 0.810 1.000 0.625 CA 1.398 9 residues pruned to eliminate duplicates Z: 11 13.848 1.901 0.532 0.798 1.000 0.800 CB 1.158 Z: 25 65.369 2.482 0.970 0.957 1.000 0.667 CA 1.873 25 residues pruned to eliminate duplicates Z: 11 21.240 1.991 0.944 0.864 1.000 0.600 CB 1.272 11 residues pruned to eliminate duplicates Z: 14 25.916 2.178 0.509 0.913 1.000 1.000 CB 1.548 14 residues pruned to eliminate duplicates Z: 28 65.640 2.351 1.061 0.932 1.000 0.333 CB 1.821 28 residues pruned to eliminate duplicates Z: 29 57.037 2.373 0.992 0.912 0.929 0.750 CA 1.739 29 residues pruned to eliminate duplicates Z: 9 18.123 2.009 0.488 0.885 1.000 0.875 CA 1.547 9 residues pruned to eliminate duplicates Z: 16 46.986 2.222 1.196 0.911 1.000 0.800 N 1.762 16 residues pruned to eliminate duplicates Z: 17 27.340 2.128 0.706 0.813 0.875 0.750 CB 1.638 17 residues pruned to eliminate duplicates Z: 34 32.349 2.059 0.477 0.662 1.000 0.788 CA 1.593 34 residues pruned to eliminate duplicates Z: 20 27.716 1.922 0.717 0.899 1.000 0.895 CB 1.377 19 residues pruned to eliminate duplicates Z: 29 28.069 2.067 0.859 0.476 0.857 0.571 CA 1.651 27 residues pruned to eliminate duplicates Z: 9 20.507 2.375 0.510 0.738 1.000 0.750 CA 1.633 9 residues pruned to eliminate duplicates Z: 9 12.772 2.100 0.302 0.726 0.875 0.750 CA 1.540 9 residues pruned to eliminate duplicates Z: 14 28.047 2.054 0.868 0.902 0.846 0.769 CB 1.709 14 residues pruned to eliminate duplicates Z: 30 46.937 2.122 0.849 0.901 0.966 0.690 CB 1.642 27 residues pruned to eliminate duplicates Z: 11 16.759 2.107 0.355 0.705 0.900 0.500 CA 1.711 12 residues pruned to eliminate duplicates Z: 20 25.731 1.938 0.600 0.791 0.947 0.842 CA 1.557 20 residues pruned to eliminate duplicates Z: 17 23.801 1.918 0.659 0.918 0.938 0.938 CA 1.407 17 residues pruned to eliminate duplicates Z: 11 22.203 2.031 0.800 0.777 1.000 0.600 CA 1.504 11 residues pruned to eliminate duplicates Z: 10 21.921 2.178 0.624 0.830 0.889 0.778 CB 1.748 11 residues pruned to eliminate duplicates Z: 24 41.278 2.140 0.785 0.915 1.000 0.870 CA 1.592 24 residues pruned to eliminate duplicates Z: 6 11.567 2.096 0.563 0.708 1.000 0.600 CB 1.308 6 residues pruned to eliminate duplicates Z: 10 21.716 2.201 0.497 0.894 1.000 0.889 CA 1.576 10 residues pruned to eliminate duplicates Z: 18 29.986 2.069 0.690 0.837 0.941 0.706 CA 1.652 18 residues pruned to eliminate duplicates Z: 18 33.863 2.115 0.752 0.834 1.000 0.882 CA 1.661 18 residues pruned to eliminate duplicates Z: 15 41.557 2.075 1.148 0.936 1.000 0.857 CA 1.735 16 residues pruned to eliminate duplicates Z: 8 13.955 2.065 0.751 0.794 0.714 0.429 CB 1.578 6 residues pruned to eliminate duplicates Z: 16 23.575 1.971 0.757 0.911 1.000 0.867 CB 1.247 16 residues pruned to eliminate duplicates Z: 27 44.918 2.175 0.711 0.936 1.000 0.885 CA 1.649 27 residues pruned to eliminate duplicates Z: 14 42.644 2.325 0.980 0.922 1.000 1.000 CA 1.807 14 residues pruned to eliminate duplicates Z: 37 22.753 2.020 0.595 0.408 0.861 0.611 CB 1.505 12 residues pruned to eliminate duplicates Z: 26 55.695 2.401 0.947 0.939 0.960 0.800 CA 1.724 26 residues pruned to eliminate duplicates Z: 17 29.409 1.980 0.768 0.891 1.000 0.812 CA 1.510 17 residues pruned to eliminate duplicates Z: 9 20.164 2.013 0.649 0.826 1.000 0.750 CA 1.620 9 residues pruned to eliminate duplicates Z: 8 12.354 2.109 1.027 0.675 0.857 0.571 CB 1.085 Z: 12 22.552 2.031 0.574 0.850 1.000 0.818 CA 1.576 12 residues pruned to eliminate duplicates Z: 14 42.839 2.322 1.117 0.923 0.923 0.769 CA 1.840 14 residues pruned to eliminate duplicates Z: 85 44.343 2.089 0.598 0.591 0.929 0.655 CB 1.431 104 residues pruned to eliminate duplicates Z: 9 10.827 1.900 0.441 0.786 0.875 0.875 CB 1.243 9 residues pruned to eliminate duplicates Z: 12 18.590 2.172 0.549 0.736 0.909 0.727 CB 1.483 12 residues pruned to eliminate duplicates Z: 18 15.537 1.605 0.471 0.818 0.941 0.529 CB 1.287 17 residues pruned to eliminate duplicates Z: 8 13.876 1.938 0.733 0.838 0.857 0.857 CB 1.361 Z: 11 23.121 2.344 0.631 0.911 0.900 0.600 CB 1.507 11 residues pruned to eliminate duplicates Z: 19 31.133 1.970 0.645 0.916 1.000 0.833 CB 1.600 19 residues pruned to eliminate duplicates Z: 13 16.087 1.544 0.632 0.848 1.000 0.667 CB 1.367 Z: 17 24.655 2.077 0.654 0.903 1.000 0.812 CB 1.279 17 residues pruned to eliminate duplicates Z: 11 15.107 2.119 0.570 0.866 0.800 0.700 CB 1.314 11 residues pruned to eliminate duplicates Z: 10 16.950 1.991 0.911 0.797 0.889 0.333 CB 1.288 10 residues pruned to eliminate duplicates Z: 15 29.599 2.092 0.776 0.883 1.000 0.786 CA 1.540 15 residues pruned to eliminate duplicates Z: 16 34.647 2.178 0.883 0.878 0.933 0.800 CB 1.696 16 residues pruned to eliminate duplicates Z: 17 17.239 2.052 0.642 0.490 0.750 0.562 CA 1.722 11 residues pruned to eliminate duplicates Z: 39 15.585 2.035 0.463 0.388 0.816 0.421 CB 1.172 19 residues pruned to eliminate duplicates Z: 36 23.055 2.044 0.564 0.447 0.886 0.571 CB 1.453 36 residues pruned to eliminate duplicates Z: 27 38.532 2.168 0.541 0.936 0.962 0.808 CA 1.638 27 residues pruned to eliminate duplicates Z: 12 10.732 1.608 0.507 0.894 0.909 0.909 CB 1.054 12 residues pruned to eliminate duplicates Z: 11 17.824 1.983 0.645 0.904 1.000 1.000 CB 1.231 14 residues pruned to eliminate duplicates Z: 16 28.048 2.030 0.864 0.933 0.933 0.667 CB 1.431 16 residues pruned to eliminate duplicates Z: 11 24.288 2.271 0.494 0.872 1.000 0.600 CB 1.650 11 residues pruned to eliminate duplicates Z: 17 21.982 2.078 0.733 0.906 1.000 0.875 CB 1.086 17 residues pruned to eliminate duplicates Z: 11 18.531 1.979 0.905 0.867 0.900 0.400 CB 1.263 11 residues pruned to eliminate duplicates Z: 28 40.445 2.111 0.639 0.927 1.000 0.889 CA 1.576 28 residues pruned to eliminate duplicates Z: 12 16.594 1.849 0.596 0.876 1.000 0.818 CA 1.232 12 residues pruned to eliminate duplicates Z: 28 40.183 2.105 0.624 0.938 1.000 0.889 CA 1.573 28 residues pruned to eliminate duplicates Z: 12 19.035 1.749 0.925 0.907 1.000 0.909 CB 1.212 8 residues pruned to eliminate duplicates Z: 8 14.634 1.835 1.077 0.711 0.857 0.571 CB 1.398 8 residues pruned to eliminate duplicates Z: 6 19.039 2.326 1.068 0.848 0.800 0.200 CB 1.642 7 residues pruned to eliminate duplicates Z: 17 31.458 2.026 0.945 0.852 0.938 0.562 CA 1.574 17 residues pruned to eliminate duplicates Z: 25 44.415 2.147 0.837 0.937 0.958 0.625 CB 1.669 28 residues pruned to eliminate duplicates Z: 28 40.926 2.139 0.654 0.928 0.963 0.852 CA 1.619 28 residues pruned to eliminate duplicates Z: 21 20.436 2.061 1.053 0.647 0.900 0.300 CB 1.046 21 residues pruned to eliminate duplicates Z: 16 32.322 2.118 1.054 0.882 1.000 0.800 CA 1.388 16 residues pruned to eliminate duplicates Z: 11 11.394 1.729 0.524 0.772 1.000 0.800 CB 1.075 11 residues pruned to eliminate duplicates Z: 26 45.154 2.121 0.807 0.947 1.000 0.800 CA 1.628 25 residues pruned to eliminate duplicates Z: 10 10.130 1.947 0.528 0.751 0.667 0.556 CB 1.360 10 residues pruned to eliminate duplicates Z: 18 12.742 1.635 0.521 0.809 0.882 0.412 CB 1.076 18 residues pruned to eliminate duplicates Z: 69 47.981 2.176 0.761 0.571 0.941 0.618 CB 1.506 67 residues pruned to eliminate duplicates Z: 28 46.216 2.146 0.796 0.939 0.963 0.889 CA 1.666 27 residues pruned to eliminate duplicates Z: 12 35.529 2.288 0.997 0.883 1.000 0.727 CA 1.695 12 residues pruned to eliminate duplicates Z: 35 18.876 1.932 0.614 0.489 0.824 0.441 CB 1.274 23 residues pruned to eliminate duplicates Z: 12 17.332 1.788 0.759 0.873 0.909 0.818 CB 1.331 12 residues pruned to eliminate duplicates Z: 17 35.360 2.163 0.784 0.797 1.000 0.625 CB 1.766 17 residues pruned to eliminate duplicates Z: 21 22.631 1.809 0.321 0.915 1.000 0.850 CB 1.497 21 residues pruned to eliminate duplicates Z: 12 23.332 2.006 0.697 0.864 1.000 0.727 CA 1.515 12 residues pruned to eliminate duplicates Z: 13 13.950 1.909 0.665 0.576 1.000 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 15 35.250 2.227 1.076 0.908 0.929 0.786 CA 1.558 15 residues pruned to eliminate duplicates Z: 16 32.027 2.148 0.974 0.920 0.933 0.800 CA 1.471 16 residues pruned to eliminate duplicates Z: 18 22.452 1.856 0.701 0.891 0.941 0.706 CB 1.318 18 residues pruned to eliminate duplicates Z: 10 25.273 2.096 1.161 0.932 1.000 0.667 CB 1.298 11 residues pruned to eliminate duplicates Z: 10 13.069 1.826 0.576 0.697 0.889 0.667 CA 1.422 10 residues pruned to eliminate duplicates Z: 15 33.142 2.113 0.960 0.925 0.929 0.929 CA 1.616 16 residues pruned to eliminate duplicates Z: 18 25.152 1.889 0.620 0.876 1.000 0.647 CB 1.449 18 residues pruned to eliminate duplicates Z: 37 33.715 2.059 0.771 0.682 0.944 0.722 CB 1.380 37 residues pruned to eliminate duplicates Z: 27 45.892 2.174 0.743 0.931 1.000 0.769 CA 1.660 27 residues pruned to eliminate duplicates Z: 15 29.466 2.200 0.992 0.809 1.000 0.857 CB 1.372 15 residues pruned to eliminate duplicates Z: 18 33.006 2.127 0.746 0.755 1.000 0.529 CB 1.718 18 residues pruned to eliminate duplicates Z: 25 13.975 1.790 0.643 0.425 0.875 0.542 CB 1.199 25 residues pruned to eliminate duplicates Z: 7 15.190 2.247 0.485 0.818 1.000 0.833 CA 1.410 7 residues pruned to eliminate duplicates Z: 9 18.231 2.227 0.258 0.914 1.000 1.000 CB 1.626 9 residues pruned to eliminate duplicates Z: 10 7.795 1.805 0.234 0.785 0.889 0.667 CB 1.022 10 residues pruned to eliminate duplicates Z: 11 7.961 1.801 0.363 0.519 0.800 0.600 CA 1.258 Z: 7 4.989 1.525 0.699 0.508 0.833 0.667 N 0.936 Z: 11 16.011 1.783 0.695 0.826 1.000 0.700 CA 1.263 11 residues pruned to eliminate duplicates Z: 19 25.765 2.028 0.692 0.799 0.889 0.611 CA 1.533 19 residues pruned to eliminate duplicates Z: 15 5.969 1.738 0.455 0.280 0.786 0.571 CB 1.029 15 residues pruned to eliminate duplicates Z: 39 29.648 2.055 0.541 0.654 0.895 0.632 CB 1.471 46 residues pruned to eliminate duplicates Z: 10 7.678 1.827 0.415 0.740 0.667 0.333 CA 1.198 10 residues pruned to eliminate duplicates Z: 73 35.626 2.069 0.610 0.508 0.861 0.542 CB 1.453 73 residues pruned to eliminate duplicates Z: 16 20.776 1.940 0.629 0.921 1.000 1.000 CB 1.195 16 residues pruned to eliminate duplicates Z: 13 11.345 1.919 0.499 0.437 0.750 0.500 CB 1.619 13 residues pruned to eliminate duplicates Z: 31 32.002 2.022 0.834 0.703 0.933 0.567 CB 1.403 31 residues pruned to eliminate duplicates Z: 10 8.408 2.002 0.321 0.623 0.778 0.333 CB 1.213 10 residues pruned to eliminate duplicates Z: 13 16.134 1.764 0.400 0.912 0.917 0.917 CA 1.458 Z: 21 21.327 1.843 0.291 0.917 1.000 0.850 CB 1.413 21 residues pruned to eliminate duplicates Z: 11 17.937 1.891 0.507 0.926 1.000 1.000 CA 1.396 11 residues pruned to eliminate duplicates Z: 8 7.382 1.517 0.405 0.634 0.857 0.571 CA 1.346 Z: 27 44.237 2.120 0.998 0.899 0.923 0.577 CB 1.586 27 residues pruned to eliminate duplicates Z: 7 12.347 1.896 0.723 0.536 1.000 0.833 N 1.489 Z: 11 14.172 1.996 0.886 0.580 0.900 0.600 CB 1.225 11 residues pruned to eliminate duplicates Z: 17 24.634 1.969 0.613 0.871 1.000 0.562 CA 1.414 17 residues pruned to eliminate duplicates Z: 12 16.212 1.849 0.235 0.926 1.000 0.818 CA 1.501 12 residues pruned to eliminate duplicates Z: 16 28.055 1.961 0.721 0.878 1.000 0.867 CA 1.558 16 residues pruned to eliminate duplicates Z: 26 45.627 2.104 0.922 0.937 1.000 0.800 CB 1.570 26 residues pruned to eliminate duplicates Z: 28 39.927 2.125 0.685 0.916 0.926 0.444 CA 1.637 28 residues pruned to eliminate duplicates Z: 16 13.050 1.669 0.360 0.809 0.867 0.800 CB 1.309 Z: 10 18.634 1.860 0.722 0.888 1.000 0.889 CA 1.397 9 residues pruned to eliminate duplicates Z: 28 30.833 2.070 0.471 0.918 0.963 0.778 CA 1.427 28 residues pruned to eliminate duplicates Z: 49 43.071 2.108 0.564 0.666 0.979 0.708 CB 1.652 49 residues pruned to eliminate duplicates Z: 14 20.988 2.032 0.479 0.916 1.000 0.923 CB 1.368 14 residues pruned to eliminate duplicates Z: 28 46.312 2.114 0.922 0.948 0.963 0.556 CA 1.573 28 residues pruned to eliminate duplicates Z: 7 9.591 1.698 1.002 0.520 1.000 0.667 CB 1.129 Z: 14 40.453 2.269 1.189 0.931 1.000 0.923 CB 1.579 15 residues pruned to eliminate duplicates Z: 15 39.004 2.302 1.177 0.923 1.000 0.643 CB 1.462 15 residues pruned to eliminate duplicates Z: 9 12.771 1.855 0.274 0.841 1.000 1.000 CA 1.424 9 residues pruned to eliminate duplicates Z: 17 22.322 1.957 0.775 0.845 0.875 0.750 CB 1.365 17 residues pruned to eliminate duplicates Z: 8 4.956 1.790 0.165 0.302 0.857 0.143 CB 1.306 Z: 11 16.259 1.808 0.566 0.812 1.000 0.900 CA 1.384 11 residues pruned to eliminate duplicates Z: 15 28.552 2.014 0.957 0.927 1.000 0.857 CB 1.357 15 residues pruned to eliminate duplicates Z: 12 8.131 2.109 0.364 0.288 0.818 0.455 CB 1.322 12 residues pruned to eliminate duplicates Z: 19 26.224 2.032 0.684 0.801 0.889 0.778 CA 1.563 19 residues pruned to eliminate duplicates Z: 17 20.908 1.871 0.944 0.900 0.938 0.625 CB 1.095 17 residues pruned to eliminate duplicates Z: 12 19.588 1.881 0.615 0.907 1.000 1.000 CA 1.381 11 residues pruned to eliminate duplicates Z: 11 23.156 1.894 1.001 0.876 1.000 0.900 CA 1.404 12 residues pruned to eliminate duplicates Z: 33 16.423 1.767 0.511 0.564 0.781 0.375 CB 1.308 26 residues pruned to eliminate duplicates Z: 17 34.454 2.002 0.987 0.897 1.000 0.750 CA 1.550 16 residues pruned to eliminate duplicates Z: 40 29.278 2.247 0.534 0.442 0.949 0.513 CB 1.522 40 residues pruned to eliminate duplicates Z: 10 10.888 1.782 0.499 0.847 1.000 0.667 CB 1.008 10 residues pruned to eliminate duplicates Z: 12 15.239 2.126 0.575 0.832 0.818 0.727 CB 1.259 12 residues pruned to eliminate duplicates Z: 15 33.912 2.110 0.958 0.899 1.000 0.786 CA 1.568 15 residues pruned to eliminate duplicates Z: 15 19.721 2.129 0.229 0.887 1.000 0.929 CA 1.452 15 residues pruned to eliminate duplicates Z: 19 30.893 1.962 0.846 0.928 0.944 0.611 CB 1.491 19 residues pruned to eliminate duplicates Z: 6 5.476 1.553 0.909 0.815 1.000 0.400 CA 0.628 6 residues pruned to eliminate duplicates Z: 15 31.509 2.288 1.011 0.832 1.000 0.500 CB 1.374 15 residues pruned to eliminate duplicates Z: 14 47.045 2.310 1.184 0.906 1.000 0.846 CA 1.840 14 residues pruned to eliminate duplicates Z: 29 44.663 2.091 0.902 0.880 0.964 0.607 CB 1.595 29 residues pruned to eliminate duplicates Z: 50 44.592 2.101 0.752 0.690 0.878 0.653 CB 1.657 50 residues pruned to eliminate duplicates Z: 19 19.170 1.555 0.704 0.928 1.000 0.778 CB 1.194 Z: 15 37.490 2.152 0.998 0.929 1.000 1.000 CA 1.631 15 residues pruned to eliminate duplicates Z: 46 75.117 2.276 1.050 0.858 0.978 0.600 CB 1.807 45 residues pruned to eliminate duplicates Z: 19 33.026 2.032 0.888 0.825 0.944 0.667 CA 1.621 19 residues pruned to eliminate duplicates Z: 9 10.510 1.870 0.436 0.589 0.875 0.625 CB 1.452 9 residues pruned to eliminate duplicates Z: 7 4.442 1.724 0.287 0.441 0.667 0.500 O 1.304 7 residues pruned to eliminate duplicates Z: 8 14.482 2.097 0.336 0.887 1.000 0.857 CB 1.409 8 residues pruned to eliminate duplicates Z: 16 16.429 1.757 0.298 0.882 0.933 0.600 CB 1.443 16 residues pruned to eliminate duplicates Z: 12 16.468 1.868 0.618 0.895 0.909 0.909 CA 1.295 12 residues pruned to eliminate duplicates Z: 10 15.374 1.966 0.668 0.804 0.889 0.667 CB 1.349 10 residues pruned to eliminate duplicates Z: 11 13.343 1.917 0.427 0.869 1.000 0.700 CB 1.127 11 residues pruned to eliminate duplicates Z: 17 14.069 1.577 0.438 0.925 1.000 0.812 CB 1.089 17 residues pruned to eliminate duplicates Z: 9 15.695 1.812 0.504 0.915 1.000 0.750 CB 1.438 9 residues pruned to eliminate duplicates Z: 39 35.321 2.089 0.768 0.701 0.947 0.632 CB 1.363 39 residues pruned to eliminate duplicates Z: 25 12.461 1.862 0.597 0.408 0.833 0.417 CB 1.130 25 residues pruned to eliminate duplicates Z: 10 9.376 1.859 0.309 0.729 0.778 0.556 CB 1.342 10 residues pruned to eliminate duplicates Z: 38 20.647 2.039 0.553 0.409 0.838 0.622 CB 1.407 38 residues pruned to eliminate duplicates Z: 23 44.198 2.215 0.935 0.952 0.909 0.500 CB 1.665 23 residues pruned to eliminate duplicates Z: 19 27.537 1.992 0.801 0.739 0.889 0.556 CB 1.642 19 residues pruned to eliminate duplicates Z: 11 11.446 1.721 0.260 0.841 1.000 0.900 CA 1.244 11 residues pruned to eliminate duplicates Z: 17 22.712 1.981 0.572 0.929 1.000 1.000 CA 1.276 17 residues pruned to eliminate duplicates Z: 11 12.915 2.276 0.167 0.873 0.900 0.800 CB 1.244 11 residues pruned to eliminate duplicates Z: 29 36.140 2.088 0.507 0.928 0.964 0.857 CA 1.576 29 residues pruned to eliminate duplicates Z: 17 29.406 1.971 0.754 0.896 1.000 0.688 CA 1.524 17 residues pruned to eliminate duplicates Z: 23 13.485 1.925 0.552 0.414 0.955 0.636 CB 1.103 23 residues pruned to eliminate duplicates Z: 16 35.483 2.047 0.992 0.913 1.000 0.600 CA 1.591 15 residues pruned to eliminate duplicates Z: 7 11.368 1.929 0.607 0.789 1.000 0.667 CB 1.162 Z: 16 36.845 2.088 1.001 0.906 1.000 0.733 CA 1.620 15 residues pruned to eliminate duplicates Z: 22 29.771 1.957 0.689 0.772 1.000 0.857 CB 1.546 22 residues pruned to eliminate duplicates Z: 11 12.914 1.539 0.479 0.913 1.000 0.900 O 1.269 11 residues pruned to eliminate duplicates Z: 8 8.163 1.888 0.456 0.801 0.714 0.429 CB 1.208 8 residues pruned to eliminate duplicates Z: 39 22.010 1.956 0.591 0.542 0.868 0.605 CB 1.268 32 residues pruned to eliminate duplicates Z: 18 34.635 2.110 0.850 0.819 1.000 0.706 CA 1.632 18 residues pruned to eliminate duplicates Z: 7 4.125 1.702 0.267 0.357 0.833 0.500 CB 1.094 Z: 54 32.343 2.165 0.588 0.420 0.906 0.491 CB 1.551 54 residues pruned to eliminate duplicates Z: 51 34.558 2.161 0.723 0.486 0.940 0.580 CB 1.417 51 residues pruned to eliminate duplicates Z: 12 15.714 1.843 0.343 0.909 0.909 0.727 CA 1.494 12 residues pruned to eliminate duplicates Z: 39 27.965 2.024 0.684 0.582 0.868 0.605 CB 1.416 39 residues pruned to eliminate duplicates Z: 32 28.718 2.275 0.610 0.484 0.935 0.645 CB 1.530 32 residues pruned to eliminate duplicates Z: 10 8.873 1.925 0.472 0.453 0.778 0.778 CB 1.408 Z: 6 6.508 1.467 0.381 0.785 1.000 0.600 CB 1.118 6 residues pruned to eliminate duplicates Z: 37 15.258 2.004 0.421 0.450 0.833 0.528 CB 1.127 37 residues pruned to eliminate duplicates Z: 9 9.600 2.022 0.629 0.412 0.875 0.750 CB 1.291 Z: 14 48.891 2.257 1.229 0.909 1.000 0.846 CB 1.912 14 residues pruned to eliminate duplicates Z: 64 64.846 2.240 0.868 0.726 0.921 0.635 CA 1.730 64 residues pruned to eliminate duplicates Z: 71 40.919 2.148 0.681 0.579 0.900 0.600 CB 1.395 71 residues pruned to eliminate duplicates Z: 21 24.883 1.852 0.543 0.912 1.000 0.750 CB 1.379 21 residues pruned to eliminate duplicates Z: 11 13.942 2.029 0.369 0.833 0.900 0.600 CA 1.323 10 residues pruned to eliminate duplicates Z: 16 27.175 1.983 1.143 0.925 1.000 0.800 CB 1.159 16 residues pruned to eliminate duplicates Z: 40 27.788 1.966 0.635 0.670 0.897 0.487 CB 1.319 40 residues pruned to eliminate duplicates Z: 23 43.935 2.190 1.100 0.722 0.955 0.682 CA 1.746 22 residues pruned to eliminate duplicates Z: 43 43.003 1.975 0.735 0.859 0.929 0.381 CB 1.534 43 residues pruned to eliminate duplicates Z: 9 11.340 1.870 0.688 0.488 0.875 0.500 CA 1.470 12 residues pruned to eliminate duplicates Z: 29 47.511 2.145 0.906 0.887 0.964 0.679 CB 1.643 30 residues pruned to eliminate duplicates Z: 39 27.596 2.001 0.714 0.629 0.895 0.553 CB 1.292 39 residues pruned to eliminate duplicates Z: 16 27.759 2.160 1.191 0.840 0.933 0.467 CB 1.211 16 residues pruned to eliminate duplicates Z: 29 54.859 2.359 0.881 0.912 0.964 0.893 CA 1.716 29 residues pruned to eliminate duplicates Z: 11 13.872 1.802 0.258 0.882 0.900 0.800 CA 1.556 11 residues pruned to eliminate duplicates Z: 10 9.484 2.062 0.431 0.449 0.889 0.667 CB 1.270 10 residues pruned to eliminate duplicates Z: 9 14.925 1.905 0.520 0.898 1.000 0.875 CB 1.303 9 residues pruned to eliminate duplicates Z: 55 38.712 2.199 0.664 0.506 0.944 0.593 CB 1.515 53 residues pruned to eliminate duplicates Z: 7 5.751 1.735 0.543 0.518 0.833 0.500 CA 1.034 6 residues pruned to eliminate duplicates Z: 36 20.391 1.958 0.486 0.551 0.914 0.514 CB 1.232 36 residues pruned to eliminate duplicates Z: 14 13.023 1.848 0.902 0.746 0.615 0.385 CB 1.341 14 residues pruned to eliminate duplicates Z: 9 7.171 1.862 0.134 0.509 1.000 0.750 CB 1.190 9 residues pruned to eliminate duplicates Z: 9 9.228 1.711 0.307 0.806 1.000 0.750 CB 1.118 9 residues pruned to eliminate duplicates Z: 17 28.796 2.093 0.884 0.904 1.000 0.688 CB 1.300 17 residues pruned to eliminate duplicates Z: 16 20.999 1.950 0.689 0.912 0.933 0.800 CB 1.249 16 residues pruned to eliminate duplicates Z: 7 6.180 1.615 0.392 0.504 1.000 0.833 N 1.117 Z: 9 20.573 2.226 0.562 0.898 1.000 1.000 CA 1.496 9 residues pruned to eliminate duplicates Z: 11 22.103 2.019 0.911 0.865 1.000 0.800 CA 1.327 11 residues pruned to eliminate duplicates Z: 29 56.738 2.199 1.338 0.903 0.929 0.536 CB 1.601 29 residues pruned to eliminate duplicates Z: 10 12.881 1.886 0.280 0.811 1.000 0.778 CB 1.357 10 residues pruned to eliminate duplicates Z: 6 4.064 1.680 0.876 0.287 0.600 0.600 N 1.221 Z: 38 34.082 2.118 0.694 0.676 0.919 0.703 CB 1.445 38 residues pruned to eliminate duplicates Z: 16 27.805 2.018 0.946 0.865 0.933 0.667 CA 1.435 16 residues pruned to eliminate duplicates Z: 6 2.444 1.496 0.144 0.477 0.800 0.600 CB 0.817 Z: 29 26.392 2.061 0.781 0.589 0.857 0.607 CB 1.455 29 residues pruned to eliminate duplicates Z: 7 3.698 1.800 0.006 0.595 0.667 0.500 CB 1.142 Z: 7 8.343 1.719 0.819 0.697 0.667 0.500 O 1.365 7 residues pruned to eliminate duplicates Z: 16 16.571 2.025 0.699 0.568 0.733 0.533 N 1.589 16 residues pruned to eliminate duplicates Z: 13 15.067 1.793 0.150 0.926 1.000 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 19 25.792 1.934 0.513 0.919 1.000 0.722 CB 1.464 19 residues pruned to eliminate duplicates Z: 21 26.946 1.832 0.668 0.934 1.000 0.800 CB 1.374 21 residues pruned to eliminate duplicates Z: 11 7.217 1.689 0.762 0.490 0.700 0.600 CB 1.107 Z: 10 16.870 1.864 0.874 0.889 0.889 0.889 CB 1.304 10 residues pruned to eliminate duplicates Z: 9 11.414 1.751 0.236 0.872 0.875 0.750 O 1.554 9 residues pruned to eliminate duplicates Z: 13 14.896 1.625 0.600 0.888 0.917 0.667 CB 1.300 13 residues pruned to eliminate duplicates Z: 9 3.895 1.770 0.637 0.339 0.750 0.625 CB 0.755 9 residues pruned to eliminate duplicates Z: 11 11.917 1.651 0.504 0.892 1.000 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 14 12.362 1.702 0.390 0.904 0.846 0.692 CA 1.220 14 residues pruned to eliminate duplicates Z: 52 48.968 2.094 0.641 0.753 0.980 0.804 CB 1.624 52 residues pruned to eliminate duplicates Z: 14 27.579 2.058 1.060 0.807 0.846 0.769 CA 1.631 14 residues pruned to eliminate duplicates Z: 15 35.204 2.121 1.018 0.904 0.929 0.643 CA 1.686 15 residues pruned to eliminate duplicates Z: 16 15.560 1.737 0.487 0.812 0.867 0.733 CB 1.367 16 residues pruned to eliminate duplicates Z: 9 7.944 1.702 0.797 0.362 1.000 0.625 CA 1.065 9 residues pruned to eliminate duplicates Z: 16 38.117 2.183 1.193 0.902 0.933 0.600 CA 1.571 16 residues pruned to eliminate duplicates Z: 8 4.917 1.647 0.218 0.695 0.714 0.571 N 1.086 8 residues pruned to eliminate duplicates Z: 58 38.127 2.093 0.556 0.637 0.930 0.667 CB 1.466 58 residues pruned to eliminate duplicates Z: 40 70.729 2.404 0.950 0.858 1.000 0.718 CA 1.779 38 residues pruned to eliminate duplicates Z: 9 6.543 1.873 0.173 0.775 0.875 0.875 CB 0.944 9 residues pruned to eliminate duplicates Z: 13 13.109 1.634 0.421 0.880 0.917 0.583 CB 1.289 13 residues pruned to eliminate duplicates Z: 10 12.244 1.906 0.435 0.758 0.778 0.333 N 1.525 10 residues pruned to eliminate duplicates Z: 49 46.904 2.137 0.687 0.687 0.938 0.667 CB 1.687 49 residues pruned to eliminate duplicates Z: 11 16.445 1.860 0.582 0.822 1.000 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 67 47.951 2.174 0.869 0.560 0.924 0.636 CB 1.483 69 residues pruned to eliminate duplicates Z: 17 16.148 1.943 0.458 0.906 1.000 0.812 CB 1.013 17 residues pruned to eliminate duplicates Z: 13 14.871 1.853 0.441 0.839 0.917 0.917 CA 1.310 13 residues pruned to eliminate duplicates Z: 38 32.165 2.011 0.659 0.697 0.973 0.730 CB 1.361 38 residues pruned to eliminate duplicates Z: 10 13.158 2.077 0.216 0.876 1.000 0.667 CB 1.262 10 residues pruned to eliminate duplicates Z: 13 13.209 1.625 0.606 0.833 1.000 0.917 CB 1.096 13 residues pruned to eliminate duplicates Z: 37 35.974 1.949 0.785 0.734 0.917 0.722 CB 1.524 34 residues pruned to eliminate duplicates Z: 16 10.301 1.606 0.156 0.888 0.933 0.800 CB 1.105 16 residues pruned to eliminate duplicates Z: 9 15.070 1.984 0.436 0.862 1.000 0.875 CA 1.373 9 residues pruned to eliminate duplicates Z: 28 79.418 2.406 1.387 0.935 1.000 0.556 CB 1.855 28 residues pruned to eliminate duplicates Z: 9 10.983 1.985 0.347 0.634 0.875 0.750 CB 1.463 8 residues pruned to eliminate duplicates Z: 10 3.355 1.210 0.362 0.249 0.889 0.444 CA 1.019 Z: 40 33.945 2.018 0.831 0.700 0.897 0.436 CB 1.365 40 residues pruned to eliminate duplicates Z: 16 25.581 1.937 0.810 0.907 1.000 0.667 CB 1.339 16 residues pruned to eliminate duplicates Z: 39 22.607 2.104 0.434 0.480 0.816 0.579 CA 1.520 37 residues pruned to eliminate duplicates Z: 6 12.388 1.787 0.842 0.717 1.000 0.800 CA 1.383 Z: 20 22.379 1.849 0.489 0.913 0.947 0.684 CB 1.393 20 residues pruned to eliminate duplicates Z: 10 10.793 1.808 0.185 0.912 0.889 0.667 CB 1.338 10 residues pruned to eliminate duplicates Z: 29 72.148 2.346 1.277 0.920 1.000 0.536 CA 1.797 29 residues pruned to eliminate duplicates Z: 19 31.653 1.965 0.770 0.926 1.000 0.778 CB 1.505 19 residues pruned to eliminate duplicates Z: 9 5.239 1.853 0.307 0.373 0.750 0.500 CA 1.169 8 residues pruned to eliminate duplicates Z: 21 11.759 1.591 0.209 0.777 0.950 0.800 CB 1.127 21 residues pruned to eliminate duplicates Z: 12 16.004 2.062 0.666 0.657 0.909 0.727 CB 1.336 12 residues pruned to eliminate duplicates Z: 26 19.055 1.964 0.626 0.473 0.960 0.560 CB 1.278 39 residues pruned to eliminate duplicates Z: 41 22.921 2.043 0.790 0.362 0.825 0.575 CB 1.394 41 residues pruned to eliminate duplicates Z: 27 38.761 2.117 0.590 0.903 1.000 0.808 CA 1.610 27 residues pruned to eliminate duplicates Z: 15 5.475 1.739 0.448 0.388 0.786 0.357 CB 0.833 15 residues pruned to eliminate duplicates Z: 15 25.840 2.188 0.727 0.712 0.929 0.786 CB 1.624 15 residues pruned to eliminate duplicates Z: 11 26.603 2.066 0.819 0.919 1.000 1.000 CA 1.578 11 residues pruned to eliminate duplicates Z: 16 33.003 2.053 0.876 0.918 1.000 0.867 CA 1.560 16 residues pruned to eliminate duplicates Z: 16 20.266 1.741 0.622 0.821 1.000 0.933 CA 1.402 15 residues pruned to eliminate duplicates Z: 27 41.732 2.134 0.860 0.934 0.885 0.269 CB 1.626 27 residues pruned to eliminate duplicates Z: 57 67.281 2.316 0.973 0.746 0.929 0.643 CB 1.700 57 residues pruned to eliminate duplicates Z: 43 34.604 1.922 0.666 0.864 0.881 0.429 CB 1.388 43 residues pruned to eliminate duplicates Z: 17 16.411 1.603 0.489 0.783 1.000 0.562 CB 1.339 17 residues pruned to eliminate duplicates Z: 50 35.889 2.175 0.652 0.506 0.959 0.612 CB 1.480 49 residues pruned to eliminate duplicates Z: 15 24.613 2.051 0.470 0.841 1.000 0.714 CA 1.626 16 residues pruned to eliminate duplicates Z: 10 6.618 1.714 0.322 0.640 0.667 0.556 N 1.281 10 residues pruned to eliminate duplicates Z: 7 3.969 1.855 0.329 0.802 0.500 0.500 CB 1.009 7 residues pruned to eliminate duplicates Z: 16 24.689 1.992 0.902 0.914 0.933 0.867 CB 1.275 16 residues pruned to eliminate duplicates Z: 9 8.194 2.033 0.548 0.422 0.750 0.625 CB 1.332 Z: 9 7.938 1.773 0.215 0.463 1.000 0.625 N 1.354 7 residues pruned to eliminate duplicates Z: 30 15.916 1.953 0.610 0.430 0.828 0.414 CB 1.222 30 residues pruned to eliminate duplicates Z: 16 15.661 1.683 0.615 0.816 0.933 0.533 CB 1.211 16 residues pruned to eliminate duplicates Z: 17 13.181 2.045 0.458 0.582 0.688 0.625 CB 1.486 17 residues pruned to eliminate duplicates Z: 71 43.521 2.132 0.721 0.570 0.943 0.686 CB 1.405 71 residues pruned to eliminate duplicates Z: 40 63.703 2.317 1.077 0.784 1.000 0.564 CB 1.651 40 residues pruned to eliminate duplicates Z: 9 8.208 1.680 0.247 0.805 1.000 0.625 CB 1.061 9 residues pruned to eliminate duplicates Z: 11 10.774 2.216 0.051 0.808 0.900 0.800 CB 1.243 11 residues pruned to eliminate duplicates Z: 9 4.980 1.791 0.987 0.434 0.875 0.625 CB 0.605 9 residues pruned to eliminate duplicates Z: 42 42.673 1.968 0.780 0.860 0.927 0.585 CB 1.510 42 residues pruned to eliminate duplicates Z: 46 68.046 2.311 0.889 0.837 0.978 0.733 CA 1.776 46 residues pruned to eliminate duplicates Z: 13 17.311 1.761 0.417 0.918 0.917 0.583 CB 1.540 13 residues pruned to eliminate duplicates Z: 15 15.234 1.862 0.345 0.619 1.000 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 26 18.499 2.105 0.467 0.449 0.880 0.600 CB 1.435 26 residues pruned to eliminate duplicates Z: 12 22.049 1.741 1.063 0.899 1.000 0.727 CA 1.323 12 residues pruned to eliminate duplicates Z: 45 70.716 2.305 1.025 0.860 0.932 0.659 CA 1.802 45 residues pruned to eliminate duplicates Z: 17 21.953 1.914 0.416 0.920 1.000 0.938 CB 1.426 17 residues pruned to eliminate duplicates Z: 11 15.031 1.789 0.560 0.803 1.000 0.600 CA 1.307 11 residues pruned to eliminate duplicates Z: 10 14.681 1.844 0.686 0.847 0.889 0.444 CB 1.315 10 residues pruned to eliminate duplicates Z: 10 3.488 1.544 0.649 0.221 0.667 0.333 CB 0.949 Z: 20 30.471 2.136 0.978 0.656 0.895 0.737 CB 1.599 20 residues pruned to eliminate duplicates Z: 12 8.646 1.648 0.169 0.825 1.000 0.545 CB 1.021 12 residues pruned to eliminate duplicates Z: 43 33.131 1.893 0.819 0.680 0.857 0.643 CB 1.467 43 residues pruned to eliminate duplicates Z: 17 15.173 1.677 0.360 0.790 1.000 0.688 CB 1.289 17 residues pruned to eliminate duplicates Z: 10 18.037 2.027 0.830 0.687 0.889 0.222 CA 1.536 10 residues pruned to eliminate duplicates Z: 34 32.634 2.150 0.841 0.541 0.848 0.515 CB 1.625 34 residues pruned to eliminate duplicates Z: 23 16.353 1.977 0.497 0.518 0.818 0.500 CB 1.415 23 residues pruned to eliminate duplicates Z: 16 6.273 1.564 0.347 0.337 0.733 0.400 CA 1.252 Z: 16 23.561 1.917 0.658 0.896 0.933 0.800 CB 1.468 16 residues pruned to eliminate duplicates Z: 24 15.731 1.901 0.580 0.480 0.826 0.522 CA 1.349 24 residues pruned to eliminate duplicates Z: 23 14.610 1.879 0.629 0.464 0.864 0.318 CB 1.222 23 residues pruned to eliminate duplicates Z: 6 4.646 1.875 0.150 0.523 0.800 0.600 CB 1.177 6 residues pruned to eliminate duplicates Z: 8 2.460 1.473 0.978 0.271 0.429 0.429 CB 0.966 Z: 39 32.237 2.129 0.745 0.468 0.868 0.500 CA 1.674 39 residues pruned to eliminate duplicates Z: 42 23.513 1.964 0.703 0.468 0.878 0.463 CB 1.292 42 residues pruned to eliminate duplicates Z: 17 8.758 1.630 0.302 0.511 0.750 0.625 CA 1.361 17 residues pruned to eliminate duplicates Z: 10 26.236 2.466 0.909 0.897 1.000 0.444 CB 1.330 10 residues pruned to eliminate duplicates Z: 8 9.265 1.775 0.512 0.664 0.857 0.714 CB 1.308 Z: 16 27.432 2.144 1.066 0.928 1.000 0.600 CB 1.120 16 residues pruned to eliminate duplicates Z: 38 21.395 2.075 0.632 0.422 0.838 0.541 CB 1.345 43 residues pruned to eliminate duplicates Z: 10 13.107 1.870 0.691 0.815 0.667 0.444 O 1.575 10 residues pruned to eliminate duplicates Z: 10 20.229 1.967 0.909 0.863 0.778 0.556 CA 1.694 10 residues pruned to eliminate duplicates Z: 8 11.558 1.923 0.636 0.785 0.857 0.714 CB 1.262 8 residues pruned to eliminate duplicates Z: 16 24.767 1.866 0.730 0.841 1.000 0.800 CA 1.478 16 residues pruned to eliminate duplicates Z: 18 12.258 1.576 0.315 0.806 0.941 0.765 CB 1.167 18 residues pruned to eliminate duplicates Z: 10 16.985 1.803 0.605 0.900 1.000 0.889 O 1.397 10 residues pruned to eliminate duplicates Z: 12 15.826 1.841 0.337 0.936 0.909 0.455 CB 1.486 12 residues pruned to eliminate duplicates Z: 30 47.331 2.141 0.817 0.870 1.000 0.724 CA 1.649 30 residues pruned to eliminate duplicates Z: 25 57.744 2.373 0.981 0.937 0.958 0.625 CA 1.821 25 residues pruned to eliminate duplicates Z: 58 34.427 2.082 0.551 0.527 0.895 0.561 CB 1.537 58 residues pruned to eliminate duplicates Z: 52 43.696 2.072 0.616 0.667 0.961 0.706 CB 1.629 54 residues pruned to eliminate duplicates Z: 56 37.435 2.189 0.600 0.494 0.945 0.600 CB 1.534 56 residues pruned to eliminate duplicates Z: 22 28.572 2.178 0.740 0.879 0.714 0.429 CB 1.669 22 residues pruned to eliminate duplicates Z: 10 15.540 1.910 0.616 0.860 1.000 0.778 CB 1.234 10 residues pruned to eliminate duplicates Z: 17 22.316 2.076 0.404 0.884 1.000 0.750 CB 1.383 17 residues pruned to eliminate duplicates Z: 19 17.652 1.520 0.562 0.908 1.000 0.889 CB 1.245 19 residues pruned to eliminate duplicates 8 1.856 1.524 0.053 0.258 0.571 0.571 CA 1.009 ? Z: 7 2.183 1.450 0.537 0.248 0.500 0.333 C 1.069 Z: 12 14.425 1.584 0.504 0.848 1.000 0.909 O 1.354 11 residues pruned to eliminate duplicates Z: 16 24.162 2.145 0.841 0.907 0.933 0.733 CB 1.203 16 residues pruned to eliminate duplicates Z: 7 2.932 1.438 -0.058 0.490 0.833 0.333 CB 1.070 Z: 25 14.169 1.992 0.361 0.398 0.875 0.458 CB 1.358 25 residues pruned to eliminate duplicates Z: 18 16.975 1.583 0.449 0.901 1.000 0.882 CB 1.281 18 residues pruned to eliminate duplicates Z: 6 2.595 1.610 -0.230 0.481 0.800 0.600 CB 1.193 6 1.324 1.424 0.552 0.222 0.600 0.200 CB 0.618 ? Z: 9 12.756 1.808 1.007 0.555 0.875 0.750 CA 1.346 Z: 21 10.743 1.813 0.619 0.400 0.800 0.450 CB 1.137 26 residues pruned to eliminate duplicates Z: 10 3.769 1.524 0.885 0.263 0.667 0.444 CB 0.860 10 residues pruned to eliminate duplicates Z: 13 14.966 1.752 0.299 0.917 0.917 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 16 13.483 1.689 0.463 0.802 0.933 0.733 CB 1.159 16 residues pruned to eliminate duplicates Z: 31 17.651 2.027 0.443 0.528 0.867 0.600 CB 1.236 31 residues pruned to eliminate duplicates Z: 11 17.159 1.986 0.712 0.816 0.900 0.400 CB 1.347 11 residues pruned to eliminate duplicates Z: 35 25.068 1.890 0.811 0.637 0.971 0.441 CB 1.138 35 residues pruned to eliminate duplicates Z: 27 16.889 1.950 0.597 0.553 0.846 0.500 CB 1.195 27 residues pruned to eliminate duplicates Z: 16 15.206 1.709 0.352 0.780 1.000 0.600 CB 1.327 16 residues pruned to eliminate duplicates Z: 7 4.754 1.495 0.871 0.235 0.833 0.333 N 1.133 Z: 11 7.355 1.848 0.559 0.614 0.800 0.600 CB 0.906 9 residues pruned to eliminate duplicates Z: 17 13.255 2.084 0.291 0.420 0.875 0.625 CB 1.530 19 residues pruned to eliminate duplicates Z: 9 7.753 1.605 0.502 0.546 0.875 0.750 CA 1.242 8 residues pruned to eliminate duplicates Z: 8 5.526 1.665 0.512 0.304 0.714 0.429 O 1.445 8 residues pruned to eliminate duplicates Z: 6 2.242 1.584 0.401 0.300 0.800 0.400 CB 0.706 6 residues pruned to eliminate duplicates Z: 21 10.815 1.760 0.616 0.334 0.850 0.650 CB 1.200 31 residues pruned to eliminate duplicates Z: 58 70.872 2.335 0.860 0.774 0.965 0.702 CA 1.758 58 residues pruned to eliminate duplicates Z: 15 32.870 2.104 0.804 0.930 1.000 0.571 CA 1.619 15 residues pruned to eliminate duplicates Z: 11 6.337 1.854 0.583 0.299 0.700 0.600 CB 1.221 11 residues pruned to eliminate duplicates Z: 38 36.073 2.114 0.706 0.701 0.919 0.649 CB 1.490 38 residues pruned to eliminate duplicates Z: 16 28.885 2.054 0.597 0.878 1.000 0.867 CA 1.651 16 residues pruned to eliminate duplicates Z: 9 16.597 2.135 0.295 0.898 1.000 1.000 CA 1.518 9 residues pruned to eliminate duplicates Z: 18 11.078 1.589 0.281 0.768 0.882 0.706 CB 1.180 18 residues pruned to eliminate duplicates Z: 77 48.521 2.150 0.715 0.598 0.947 0.513 CB 1.451 77 residues pruned to eliminate duplicates Z: 79 31.960 1.985 0.598 0.432 0.846 0.526 CB 1.447 79 residues pruned to eliminate duplicates Z: 19 31.547 2.139 0.670 0.912 0.944 0.722 CB 1.561 19 residues pruned to eliminate duplicates Z: 9 5.797 1.358 0.569 0.839 0.750 0.750 CB 0.958 9 residues pruned to eliminate duplicates Z: 10 10.834 1.907 0.634 0.892 0.778 0.444 CB 1.071 9 residues pruned to eliminate duplicates Z: 10 9.000 1.716 0.010 0.835 1.000 0.889 CB 1.298 10 residues pruned to eliminate duplicates Z: 9 11.010 2.033 0.262 0.408 1.000 0.500 N 1.671 9 residues pruned to eliminate duplicates Z: 9 12.880 1.970 0.351 0.846 0.875 0.500 CA 1.453 9 residues pruned to eliminate duplicates Z: 9 9.141 1.924 0.433 0.440 0.875 0.750 CB 1.425 9 residues pruned to eliminate duplicates Z: 11 14.112 2.061 0.429 0.582 0.900 0.500 CB 1.555 11 residues pruned to eliminate duplicates Z: 6 3.909 1.346 0.204 0.798 1.000 0.600 CB 0.831 Z: 6 7.461 1.872 0.801 0.224 1.000 0.600 CB 1.368 6 residues pruned to eliminate duplicates Z: 13 21.004 1.798 0.756 0.920 1.000 0.833 CB 1.353 13 residues pruned to eliminate duplicates Z: 16 9.993 1.954 0.201 0.482 0.800 0.533 CB 1.400 16 residues pruned to eliminate duplicates Z: 7 5.730 1.751 0.179 0.786 1.000 0.500 CB 0.880 Z: 12 21.811 1.787 1.020 0.929 1.000 0.909 CB 1.275 12 residues pruned to eliminate duplicates Z: 10 10.320 1.773 0.215 0.879 0.889 0.667 CA 1.302 10 residues pruned to eliminate duplicates Z: 92 59.118 2.089 0.735 0.708 0.956 0.692 CB 1.481 89 residues pruned to eliminate duplicates Z: 19 13.590 1.510 0.313 0.914 1.000 0.833 CB 1.143 19 residues pruned to eliminate duplicates Z: 33 16.767 1.890 0.545 0.519 0.875 0.500 CB 1.138 33 residues pruned to eliminate duplicates Z: 27 16.868 1.749 0.523 0.649 0.808 0.615 CB 1.338 27 residues pruned to eliminate duplicates Z: 13 12.930 1.928 0.149 0.885 1.000 0.917 CB 1.217 13 residues pruned to eliminate duplicates Z: 19 13.633 1.543 0.431 0.911 0.944 0.722 CB 1.091 19 residues pruned to eliminate duplicates Z: 28 21.464 1.800 0.612 0.589 0.889 0.704 CA 1.471 28 residues pruned to eliminate duplicates Z: 11 15.880 1.702 0.657 0.924 0.900 0.500 CB 1.389 11 residues pruned to eliminate duplicates Z: 28 18.539 1.983 0.504 0.542 0.852 0.519 CB 1.347 28 residues pruned to eliminate duplicates Z: 11 7.206 1.687 0.518 0.515 0.700 0.500 CA 1.252 11 residues pruned to eliminate duplicates Z: 18 18.682 1.758 0.412 0.840 1.000 0.882 CB 1.362 16 residues pruned to eliminate duplicates Z: 46 59.622 2.159 1.014 0.796 0.956 0.733 CB 1.650 46 residues pruned to eliminate duplicates Z: 27 46.103 2.125 0.767 0.938 1.000 0.692 CB 1.674 27 residues pruned to eliminate duplicates Z: 11 6.343 1.603 0.558 0.370 0.800 0.500 CB 1.154 19 residues pruned to eliminate duplicates Z: 6 3.404 1.407 0.236 0.499 0.800 0.600 N 1.096 Z: 13 16.545 1.892 0.576 0.672 0.917 0.833 CA 1.492 13 residues pruned to eliminate duplicates Z: 6 3.876 1.337 0.586 0.525 0.800 0.600 CB 0.997 Z: 18 30.588 2.043 0.759 0.853 0.882 0.471 CA 1.728 18 residues pruned to eliminate duplicates Z: 19 14.597 1.533 0.348 0.912 1.000 0.889 CB 1.179 19 residues pruned to eliminate duplicates Z: 11 12.585 1.658 0.601 0.663 1.000 0.700 CB 1.290 11 residues pruned to eliminate duplicates Z: 47 42.782 2.125 0.736 0.701 0.891 0.609 CB 1.598 47 residues pruned to eliminate duplicates Z: 48 30.476 2.045 0.527 0.533 0.957 0.596 CB 1.439 48 residues pruned to eliminate duplicates Z: 7 4.627 1.741 0.561 0.409 0.833 0.333 CB 0.917 7 residues pruned to eliminate duplicates Z: 16 6.091 1.572 0.222 0.508 0.733 0.533 CB 1.107 16 residues pruned to eliminate duplicates Z: 13 8.509 1.800 0.386 0.471 0.833 0.500 CB 1.217 13 residues pruned to eliminate duplicates Z: 32 37.624 2.113 0.689 0.687 0.968 0.581 CB 1.648 32 residues pruned to eliminate duplicates Z: 17 12.725 1.579 0.555 0.778 0.812 0.625 CB 1.247 17 residues pruned to eliminate duplicates Z: 18 15.245 2.058 0.632 0.552 0.765 0.353 CB 1.369 18 residues pruned to eliminate duplicates Z: 103 73.513 2.133 0.849 0.723 0.951 0.588 CB 1.587 101 residues pruned to eliminate duplicates Z: 6 3.200 1.495 0.335 0.297 0.800 0.200 CB 1.124 6 residues pruned to eliminate duplicates Z: 10 14.488 1.845 0.550 0.875 1.000 1.000 CB 1.228 10 residues pruned to eliminate duplicates Z: 16 13.110 1.660 0.383 0.783 0.867 0.667 CB 1.326 16 residues pruned to eliminate duplicates Z: 14 10.588 1.585 0.137 0.887 1.000 0.846 CB 1.175 14 residues pruned to eliminate duplicates Z: 17 25.864 1.871 1.043 0.924 0.938 0.625 CB 1.267 17 residues pruned to eliminate duplicates Z: 12 24.075 1.798 1.140 0.931 1.000 0.818 CB 1.318 12 residues pruned to eliminate duplicates Z: 9 11.941 1.810 0.506 0.807 1.000 0.750 CB 1.185 9 residues pruned to eliminate duplicates Z: 10 5.886 1.424 0.764 0.728 0.889 0.556 CB 0.716 Z: 22 9.100 1.541 0.481 0.422 0.905 0.524 CB 1.044 22 residues pruned to eliminate duplicates Z: 22 9.866 1.753 0.563 0.238 0.810 0.571 CB 1.315 22 residues pruned to eliminate duplicates Z: 12 22.201 1.904 0.890 0.910 1.000 1.000 CA 1.320 12 residues pruned to eliminate duplicates Z: 6 6.801 1.492 0.670 0.782 1.000 1.000 O 0.952 5 residues pruned to eliminate duplicates Z: 56 58.823 2.232 0.857 0.705 0.927 0.564 CA 1.712 56 residues pruned to eliminate duplicates Z: 10 11.169 1.986 0.728 0.503 0.889 0.444 CB 1.216 10 residues pruned to eliminate duplicates Z: 9 4.144 1.258 0.576 0.638 0.875 0.375 CB 0.743 Z: 32 27.023 1.945 0.674 0.653 0.935 0.516 CB 1.383 32 residues pruned to eliminate duplicates Z: 7 6.564 1.766 0.233 0.843 1.000 0.667 CB 0.917 7 residues pruned to eliminate duplicates Z: 6 12.055 1.680 1.211 0.715 1.000 0.800 CA 1.195 Z: 25 38.764 2.116 0.751 0.928 0.958 0.750 CA 1.561 25 residues pruned to eliminate duplicates Z: 29 35.838 2.034 0.851 0.872 0.857 0.321 CB 1.530 29 residues pruned to eliminate duplicates Z: 10 13.437 1.740 0.503 0.814 1.000 0.778 N 1.304 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 64 50.349 2.156 0.814 0.658 0.937 0.524 CB 1.495 64 residues pruned to eliminate duplicates Z: 120 68.461 2.094 0.823 0.666 0.916 0.605 CB 1.540 120 residues pruned to eliminate duplicates Z: 23 18.530 1.996 0.439 0.488 0.909 0.727 CA 1.531 23 residues pruned to eliminate duplicates Z: 45 34.610 2.014 0.655 0.598 0.909 0.682 CA 1.568 44 residues pruned to eliminate duplicates Z: 6 4.215 1.449 1.024 0.292 1.000 0.400 CA 0.811 6 residues pruned to eliminate duplicates Z: 40 33.069 2.105 0.632 0.670 0.923 0.641 CB 1.427 40 residues pruned to eliminate duplicates Z: 38 27.070 2.057 0.590 0.561 0.919 0.541 CB 1.395 38 residues pruned to eliminate duplicates Z: 30 21.705 2.120 0.493 0.576 0.828 0.655 CB 1.430 30 residues pruned to eliminate duplicates Z: 42 27.926 2.056 0.657 0.578 0.854 0.634 CB 1.391 42 residues pruned to eliminate duplicates Z: 36 27.944 2.098 0.644 0.580 0.886 0.629 CB 1.430 36 residues pruned to eliminate duplicates Z: 39 31.781 2.081 0.661 0.667 0.868 0.605 CB 1.471 39 residues pruned to eliminate duplicates Z: 34 25.423 1.927 0.768 0.633 0.879 0.515 CB 1.305 34 residues pruned to eliminate duplicates Z: 30 24.092 2.127 0.668 0.543 0.828 0.586 CB 1.461 30 residues pruned to eliminate duplicates Z: 37 26.809 2.054 0.527 0.573 0.861 0.583 CA 1.543 37 residues pruned to eliminate duplicates Z: 30 23.438 2.101 0.894 0.521 0.793 0.379 CB 1.351 30 residues pruned to eliminate duplicates Z: 30 24.533 2.138 0.823 0.533 0.793 0.414 CB 1.426 30 residues pruned to eliminate duplicates Z: 39 33.023 2.123 0.839 0.708 0.868 0.526 CB 1.309 39 residues pruned to eliminate duplicates Z: 24 18.523 1.979 0.991 0.599 0.826 0.435 CB 1.080 24 residues pruned to eliminate duplicates Z: 39 29.967 2.090 0.888 0.667 0.816 0.579 CB 1.294 39 residues pruned to eliminate duplicates Z: 39 27.771 2.072 0.677 0.557 0.842 0.553 CB 1.456 39 residues pruned to eliminate duplicates Z: 29 24.086 2.100 0.758 0.583 0.821 0.643 CB 1.385 29 residues pruned to eliminate duplicates Z: 37 30.987 2.111 0.736 0.710 0.889 0.444 CB 1.311 37 residues pruned to eliminate duplicates Z: 17 13.205 2.096 0.307 0.510 0.812 0.500 CB 1.468 17 residues pruned to eliminate duplicates Z: 29 28.005 2.135 0.823 0.602 0.893 0.607 CB 1.382 29 residues pruned to eliminate duplicates Z: 27 27.560 2.144 0.793 0.657 0.885 0.538 CB 1.374 27 residues pruned to eliminate duplicates Z: 16 22.767 2.130 0.752 0.643 0.867 0.667 CB 1.591 16 residues pruned to eliminate duplicates Z: 15 17.514 2.120 0.516 0.604 0.857 0.500 CA 1.539 15 residues pruned to eliminate duplicates Z: 26 28.525 2.160 0.860 0.650 0.880 0.440 CB 1.404 26 residues pruned to eliminate duplicates Z: 26 18.383 1.860 0.366 0.628 0.920 0.720 CB 1.394 46 residues pruned to eliminate duplicates Z: 11 11.807 1.728 0.133 0.893 1.000 0.900 CB 1.369 Z: 14 15.127 1.814 0.394 0.873 0.923 0.769 CA 1.310 11 residues pruned to eliminate duplicates Z: 15 17.997 1.773 0.525 0.825 0.929 0.500 CB 1.446 14 residues pruned to eliminate duplicates Z: 14 13.190 1.773 0.502 0.865 0.769 0.615 CB 1.309 14 residues pruned to eliminate duplicates Z: 19 14.264 1.828 0.424 0.578 1.000 0.556 CB 1.198 15 residues pruned to eliminate duplicates Z: 15 15.739 1.807 0.455 0.833 0.857 0.643 CB 1.401 19 residues pruned to eliminate duplicates Z: 15 15.695 1.776 0.307 0.830 0.929 0.571 CA 1.463 15 residues pruned to eliminate duplicates Z: 26 20.926 1.896 0.453 0.678 0.960 0.680 CB 1.343 41 residues pruned to eliminate duplicates Z: 15 14.705 1.763 0.323 0.886 0.929 0.571 CB 1.309 Z: 17 16.298 1.663 0.508 0.878 0.938 0.812 CB 1.258 15 residues pruned to eliminate duplicates Z: 14 12.915 1.831 0.174 0.823 0.923 0.538 CB 1.364 14 residues pruned to eliminate duplicates Z: 21 11.007 1.802 0.415 0.580 0.750 0.350 CB 1.191 21 residues pruned to eliminate duplicates Z: 13 17.120 1.823 0.274 0.919 1.000 0.917 CA 1.500 13 residues pruned to eliminate duplicates Z: 22 19.359 1.879 0.389 0.643 1.000 0.714 CB 1.416 22 residues pruned to eliminate duplicates Z: 13 14.920 1.793 0.284 0.896 0.917 0.667 CA 1.462 13 residues pruned to eliminate duplicates Z: 22 19.034 1.914 0.463 0.662 0.905 0.524 CB 1.411 22 residues pruned to eliminate duplicates Z: 22 18.506 1.869 0.355 0.650 0.952 0.762 CB 1.455 22 residues pruned to eliminate duplicates Z: 23 15.179 1.821 0.348 0.617 0.864 0.591 CB 1.366 23 residues pruned to eliminate duplicates Z: 29 20.828 1.863 0.608 0.579 0.893 0.571 CB 1.363 52 residues pruned to eliminate duplicates Z: 22 15.865 1.898 0.407 0.591 0.857 0.619 CB 1.387 Z: 12 16.898 1.847 0.423 0.918 0.909 0.636 CA 1.503 12 residues pruned to eliminate duplicates Z: 24 17.254 1.835 0.402 0.608 0.870 0.522 CB 1.451 23 residues pruned to eliminate duplicates Z: 12 20.279 1.917 0.691 0.881 1.000 0.909 CA 1.365 12 residues pruned to eliminate duplicates Z: 39 32.625 1.964 0.679 0.659 0.895 0.789 CB 1.548 39 residues pruned to eliminate duplicates Z: 19 18.609 1.716 0.824 0.666 1.000 0.722 CB 1.202 19 residues pruned to eliminate duplicates Z: 35 21.335 1.817 0.600 0.589 0.882 0.676 CB 1.310 35 residues pruned to eliminate duplicates Z: 20 14.740 1.773 0.511 0.633 0.947 0.684 CB 1.176 20 residues pruned to eliminate duplicates Z: 82 62.524 2.141 0.948 0.700 0.914 0.568 CB 1.519 82 residues pruned to eliminate duplicates Z: 36 32.110 1.925 0.699 0.633 0.971 0.771 CA 1.508 36 residues pruned to eliminate duplicates Z: 33 32.897 1.958 0.655 0.781 0.938 0.844 CB 1.494 33 residues pruned to eliminate duplicates Z: 102 75.886 2.161 0.923 0.730 0.931 0.574 CB 1.587 102 residues pruned to eliminate duplicates Z: 25 22.553 1.870 0.545 0.738 0.917 0.792 CB 1.404 25 residues pruned to eliminate duplicates Z: 25 22.831 1.899 0.600 0.608 0.958 0.792 CA 1.444 25 residues pruned to eliminate duplicates Z: 97 76.544 2.168 0.965 0.726 0.938 0.625 CB 1.596 97 residues pruned to eliminate duplicates Z: 87 71.244 2.131 1.027 0.702 0.942 0.453 CB 1.570 87 residues pruned to eliminate duplicates Z: 39 33.978 1.933 0.708 0.709 0.947 0.737 CA 1.458 39 residues pruned to eliminate duplicates Z: 29 25.196 1.869 0.701 0.598 0.929 0.679 CA 1.469 29 residues pruned to eliminate duplicates Z: 52 37.336 2.039 0.561 0.660 0.941 0.804 CA 1.504 53 residues pruned to eliminate duplicates Z: 17 31.440 1.989 0.983 0.883 0.938 0.625 CB 1.537 17 residues pruned to eliminate duplicates Z: 26 26.503 1.895 0.747 0.658 0.960 0.800 CA 1.440 26 residues pruned to eliminate duplicates Z: 52 34.246 1.938 0.778 0.597 0.902 0.588 CB 1.406 52 residues pruned to eliminate duplicates Z: 38 34.673 1.963 0.809 0.716 0.892 0.703 CA 1.481 38 residues pruned to eliminate duplicates Z: 103 78.578 2.143 0.954 0.732 0.961 0.569 CB 1.570 103 residues pruned to eliminate duplicates Z: 34 29.581 1.948 0.689 0.580 0.970 0.636 CA 1.493 34 residues pruned to eliminate duplicates Z: 54 36.458 1.979 0.574 0.653 0.943 0.585 CA 1.478 54 residues pruned to eliminate duplicates Z: 27 33.235 1.906 0.919 0.678 0.962 0.577 CA 1.573 27 residues pruned to eliminate duplicates Z: 57 42.670 1.966 0.774 0.680 0.911 0.536 CB 1.521 57 residues pruned to eliminate duplicates Z: 53 44.120 2.060 0.747 0.672 0.942 0.750 CA 1.539 53 residues pruned to eliminate duplicates Z: 16 35.831 2.090 0.946 0.917 1.000 0.667 CB 1.606 16 residues pruned to eliminate duplicates Z: 98 69.758 2.142 0.973 0.709 0.897 0.536 CB 1.545 98 residues pruned to eliminate duplicates Z: 39 39.079 1.924 0.837 0.713 0.974 0.816 CA 1.518 39 residues pruned to eliminate duplicates Z: 97 73.165 2.146 0.967 0.756 0.927 0.521 CB 1.519 97 residues pruned to eliminate duplicates Z: 8 4.892 1.527 0.376 0.535 0.857 0.571 CB 0.992 Z: 7 6.261 1.590 0.445 0.713 0.833 0.667 CB 1.101 8 residues pruned to eliminate duplicates Z: 6 4.143 1.482 0.576 0.584 0.600 0.200 CB 1.220 4 residues pruned to eliminate duplicates Z: 6 2.011 1.430 0.197 0.614 0.600 0.200 CB 0.786 6 residues pruned to eliminate duplicates Z: 17 19.824 2.104 0.497 0.584 1.000 0.500 CB 1.452 17 residues pruned to eliminate duplicates Z: 25 15.258 1.920 0.294 0.488 0.875 0.625 CA 1.449 25 residues pruned to eliminate duplicates Z: 23 19.963 2.089 0.458 0.443 0.909 0.591 CA 1.629 23 residues pruned to eliminate duplicates Z: 10 4.579 1.948 0.051 0.165 0.889 0.556 CB 1.261 10 residues pruned to eliminate duplicates Z: 59 38.040 1.976 0.678 0.613 0.914 0.672 CB 1.481 59 residues pruned to eliminate duplicates Z: 17 16.807 2.130 0.495 0.520 0.875 0.688 CB 1.478 17 residues pruned to eliminate duplicates Z: 17 21.574 2.122 0.588 0.540 1.000 0.875 CB 1.540 16 residues pruned to eliminate duplicates Z: 7 20.892 2.402 0.646 0.801 1.000 0.833 CA 1.658 7 residues pruned to eliminate duplicates Z: 17 17.589 2.126 0.525 0.534 0.938 0.750 CB 1.400 17 residues pruned to eliminate duplicates Z: 18 15.257 2.197 0.265 0.484 0.882 0.824 CB 1.533 19 residues pruned to eliminate duplicates Z: 7 21.613 2.436 0.577 0.796 1.000 1.000 CA 1.773 7 residues pruned to eliminate duplicates Z: 48 21.556 1.814 0.498 0.454 0.872 0.596 CB 1.390 48 residues pruned to eliminate duplicates Z: 21 11.331 1.986 0.206 0.405 0.900 0.700 CB 1.298 21 residues pruned to eliminate duplicates Z: 8 13.816 2.174 0.533 0.650 0.857 0.714 CA 1.590 8 residues pruned to eliminate duplicates Z: 6 3.424 1.742 0.157 0.846 0.800 0.200 CB 0.705 6 residues pruned to eliminate duplicates Z: 12 3.541 1.459 0.233 0.409 0.727 0.273 CB 0.898 7 residues pruned to eliminate duplicates Z: 7 4.077 1.765 0.283 0.720 0.667 0.667 CB 0.904 7 residues pruned to eliminate duplicates Z: 64 56.465 2.039 0.941 0.755 0.952 0.556 CB 1.503 64 residues pruned to eliminate duplicates Z: 34 19.613 1.735 0.549 0.619 0.848 0.455 CB 1.337 35 residues pruned to eliminate duplicates Z: 17 13.135 1.636 0.447 0.818 0.875 0.750 CB 1.203 17 residues pruned to eliminate duplicates Z: 28 19.288 1.725 0.510 0.707 0.889 0.593 CB 1.329 28 residues pruned to eliminate duplicates Z: 68 41.380 1.899 0.754 0.652 0.940 0.478 CB 1.400 68 residues pruned to eliminate duplicates Z: 63 56.073 2.023 0.923 0.795 0.968 0.500 CB 1.460 63 residues pruned to eliminate duplicates Z: 64 48.970 2.017 0.822 0.774 0.889 0.444 CB 1.482 64 residues pruned to eliminate duplicates Z: 15 15.042 1.728 0.401 0.738 1.000 0.714 CB 1.341 15 residues pruned to eliminate duplicates Z: 76 51.803 1.986 0.831 0.720 0.893 0.600 CB 1.510 76 residues pruned to eliminate duplicates Z: 19 10.547 1.607 0.272 0.703 0.833 0.556 CB 1.213 19 residues pruned to eliminate duplicates Z: 86 52.944 1.985 0.793 0.707 0.929 0.576 CB 1.439 86 residues pruned to eliminate duplicates Z: 48 38.226 1.912 0.695 0.807 0.936 0.511 CB 1.406 48 residues pruned to eliminate duplicates Z: 58 42.028 1.955 0.760 0.716 0.930 0.544 CB 1.431 58 residues pruned to eliminate duplicates Z: 17 14.844 1.602 0.350 0.763 1.000 0.688 CB 1.358 17 residues pruned to eliminate duplicates Z: 23 14.209 2.041 0.600 0.305 0.818 0.500 CB 1.409 22 residues pruned to eliminate duplicates Z: 6 6.948 1.625 0.408 0.625 1.000 0.600 CA 1.208 7 residues pruned to eliminate duplicates Z: 6 6.707 1.691 0.466 0.542 1.000 0.600 CA 1.162 6 residues pruned to eliminate duplicates Z: 9 6.456 1.870 0.361 0.547 0.750 0.375 CB 1.142 9 residues pruned to eliminate duplicates Z: 11 6.085 1.884 0.096 0.344 1.000 0.500 CB 1.104 11 residues pruned to eliminate duplicates Z: 26 17.907 2.092 0.506 0.452 0.840 0.480 CB 1.420 26 residues pruned to eliminate duplicates Z: 29 18.759 2.024 0.489 0.444 0.893 0.464 CB 1.396 29 residues pruned to eliminate duplicates Z: 27 19.136 2.019 0.562 0.431 0.962 0.615 CB 1.329 27 residues pruned to eliminate duplicates Z: 26 18.471 2.087 0.542 0.436 0.880 0.560 CB 1.394 26 residues pruned to eliminate duplicates Z: 27 21.117 2.081 0.684 0.470 0.923 0.615 CB 1.320 27 residues pruned to eliminate duplicates Z: 7 11.019 2.017 0.555 0.487 1.000 0.333 CA 1.453 7 residues pruned to eliminate duplicates Z: 34 19.455 1.903 0.597 0.396 0.939 0.455 CB 1.324 34 residues pruned to eliminate duplicates Z: 27 15.741 2.094 0.460 0.418 0.846 0.462 CB 1.300 27 residues pruned to eliminate duplicates Z: 25 16.543 2.135 0.433 0.451 0.833 0.500 CB 1.393 25 residues pruned to eliminate duplicates Z: 25 17.778 2.123 0.511 0.445 0.875 0.500 CB 1.367 25 residues pruned to eliminate duplicates Z: 24 17.326 2.134 0.471 0.432 0.913 0.609 CB 1.353 24 residues pruned to eliminate duplicates Z: 22 17.171 2.151 0.624 0.370 0.857 0.524 CB 1.439 22 residues pruned to eliminate duplicates Z: 26 16.611 2.082 0.484 0.451 0.880 0.440 CB 1.285 26 residues pruned to eliminate duplicates Z: 27 15.438 2.052 0.501 0.401 0.846 0.462 CB 1.289 27 residues pruned to eliminate duplicates Z: 9 10.342 1.995 0.274 0.812 0.875 0.375 CB 1.253 9 residues pruned to eliminate duplicates Z: 26 17.675 2.081 0.593 0.428 0.840 0.560 CB 1.368 26 residues pruned to eliminate duplicates Z: 25 18.877 2.109 0.562 0.436 0.917 0.458 CB 1.363 25 residues pruned to eliminate duplicates Z: 26 19.677 2.114 0.495 0.455 0.920 0.600 CB 1.417 26 residues pruned to eliminate duplicates Z: 26 18.748 2.090 0.666 0.450 0.880 0.480 CB 1.288 26 residues pruned to eliminate duplicates Z: 26 19.553 2.099 0.668 0.480 0.880 0.560 CB 1.296 26 residues pruned to eliminate duplicates Z: 36 18.156 2.003 0.638 0.408 0.857 0.571 CB 1.201 36 residues pruned to eliminate duplicates Z: 70 33.717 2.064 0.542 0.567 0.870 0.580 CB 1.374 70 residues pruned to eliminate duplicates Z: 88 39.505 2.073 0.594 0.549 0.885 0.609 CB 1.381 88 residues pruned to eliminate duplicates Z: 7 5.766 1.532 0.984 0.550 1.000 0.833 CB 0.738 7 residues pruned to eliminate duplicates Z: 38 15.563 2.022 0.461 0.365 0.838 0.514 CB 1.195 38 residues pruned to eliminate duplicates Z: 6 11.714 1.940 1.119 0.688 1.000 0.600 CB 1.073 6 residues pruned to eliminate duplicates Z: 61 42.242 2.060 0.753 0.646 0.917 0.650 CB 1.438 61 residues pruned to eliminate duplicates Z: 65 40.221 2.060 0.593 0.614 0.922 0.719 CB 1.492 65 residues pruned to eliminate duplicates Z: 14 11.577 1.841 0.542 0.502 0.769 0.385 CB 1.467 14 residues pruned to eliminate duplicates Z: 15 13.304 1.831 0.444 0.510 0.929 0.214 CA 1.433 15 residues pruned to eliminate duplicates Z: 13 12.941 1.993 0.345 0.496 0.917 0.500 CA 1.527 13 residues pruned to eliminate duplicates Z: 14 15.060 1.913 0.602 0.507 1.000 0.385 CB 1.354 14 residues pruned to eliminate duplicates Z: 12 16.222 2.051 0.485 0.527 1.000 0.545 CB 1.564 12 residues pruned to eliminate duplicates Z: 12 14.729 2.032 0.355 0.500 1.000 0.545 CA 1.612 12 residues pruned to eliminate duplicates Z: 11 14.575 2.112 0.402 0.559 0.900 0.700 CA 1.633 11 residues pruned to eliminate duplicates Z: 13 14.344 1.958 0.464 0.483 1.000 0.583 CB 1.468 13 residues pruned to eliminate duplicates Z: 14 13.996 1.915 0.359 0.472 1.000 0.692 CA 1.535 14 residues pruned to eliminate duplicates Z: 11 14.254 1.645 0.518 0.895 0.900 0.800 CA 1.437 19 residues pruned to eliminate duplicates Z: 10 9.645 1.684 0.127 0.907 0.889 0.778 CA 1.355 10 residues pruned to eliminate duplicates Z: 11 13.903 1.617 0.422 0.922 1.000 0.700 CA 1.345 11 residues pruned to eliminate duplicates Z: 11 11.084 1.681 0.382 0.722 0.900 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 11 11.466 1.615 0.427 0.776 0.900 0.900 O 1.370 11 residues pruned to eliminate duplicates Z: 10 7.901 1.619 0.274 0.615 0.778 0.556 CB 1.473 10 residues pruned to eliminate duplicates Z: 10 14.360 1.745 0.549 0.810 1.000 0.111 CB 1.352 10 residues pruned to eliminate duplicates Z: 22 10.549 1.689 0.482 0.546 0.810 0.381 CB 1.086 22 residues pruned to eliminate duplicates Z: 22 13.311 1.674 0.562 0.587 0.905 0.381 CB 1.130 22 residues pruned to eliminate duplicates Z: 21 13.833 1.723 0.595 0.615 0.850 0.450 CB 1.188 21 residues pruned to eliminate duplicates Z: 17 10.108 1.673 0.502 0.631 0.750 0.250 CB 1.185 17 residues pruned to eliminate duplicates Z: 11 4.808 1.709 0.286 0.464 0.800 0.300 CB 0.897 11 residues pruned to eliminate duplicates Z: 19 10.424 1.667 0.657 0.439 0.889 0.556 CB 1.066 19 residues pruned to eliminate duplicates Z: 20 9.987 1.641 0.553 0.474 0.895 0.263 CB 1.031 20 residues pruned to eliminate duplicates Z: 10 3.879 1.655 0.499 0.457 0.778 0.333 CB 0.701 10 residues pruned to eliminate duplicates Z: 31 17.121 1.979 0.504 0.489 0.933 0.467 CB 1.138 31 residues pruned to eliminate duplicates Z: 7 6.113 1.744 0.423 0.585 1.000 0.833 CB 0.927 Z: 14 12.424 2.045 0.544 0.540 0.692 0.154 CB 1.517 14 residues pruned to eliminate duplicates Z: 19 16.963 2.076 0.629 0.559 0.833 0.500 CB 1.339 19 residues pruned to eliminate duplicates Z: 19 15.517 2.072 0.656 0.596 0.722 0.556 CB 1.346 19 residues pruned to eliminate duplicates Z: 42 21.024 1.867 0.549 0.533 0.927 0.585 CB 1.186 42 residues pruned to eliminate duplicates Z: 45 27.037 1.917 0.720 0.610 0.886 0.432 CB 1.257 48 residues pruned to eliminate duplicates Z: 7 17.275 2.146 1.047 0.758 0.833 0.167 CB 1.531 7 residues pruned to eliminate duplicates Z: 31 17.504 1.956 0.610 0.463 0.833 0.433 CB 1.265 31 residues pruned to eliminate duplicates Z: 26 11.920 1.904 0.409 0.476 0.840 0.360 CB 1.084 26 residues pruned to eliminate duplicates Z: 43 19.441 1.877 0.527 0.496 0.881 0.500 CB 1.193 43 residues pruned to eliminate duplicates Z: 30 20.575 2.009 0.583 0.539 0.931 0.552 CB 1.242 30 residues pruned to eliminate duplicates Z: 30 17.636 1.977 0.611 0.498 0.862 0.517 CB 1.195 30 residues pruned to eliminate duplicates Z: 22 14.687 1.987 0.304 0.536 0.857 0.571 CB 1.393 22 residues pruned to eliminate duplicates Z: 29 17.431 2.060 0.488 0.511 0.857 0.429 CB 1.239 29 residues pruned to eliminate duplicates Z: 23 14.878 1.891 0.577 0.434 0.864 0.545 CB 1.318 23 residues pruned to eliminate duplicates Z: 19 14.825 2.022 0.525 0.505 0.889 0.389 CB 1.268 19 residues pruned to eliminate duplicates Z: 17 10.913 1.687 0.514 0.606 0.875 0.688 CB 1.103 17 residues pruned to eliminate duplicates Z: 34 17.003 1.963 0.537 0.440 0.848 0.485 CB 1.230 34 residues pruned to eliminate duplicates Z: 16 20.639 2.122 0.683 0.573 1.000 0.400 CB 1.391 16 residues pruned to eliminate duplicates Z: 53 21.752 1.889 0.521 0.470 0.865 0.500 CB 1.250 53 residues pruned to eliminate duplicates Z: 23 13.929 1.940 0.610 0.376 0.909 0.500 CB 1.194 23 residues pruned to eliminate duplicates Z: 22 18.397 2.010 0.815 0.620 0.905 0.667 CB 1.086 22 residues pruned to eliminate duplicates Z: 11 7.222 1.831 0.413 0.450 0.900 0.600 CB 1.032 11 residues pruned to eliminate duplicates Z: 43 17.052 1.902 0.489 0.486 0.833 0.524 CB 1.131 43 residues pruned to eliminate duplicates Z: 25 15.527 1.866 0.760 0.422 0.875 0.542 CB 1.197 25 residues pruned to eliminate duplicates Z: 37 18.671 2.017 0.477 0.471 0.806 0.389 CB 1.335 37 residues pruned to eliminate duplicates Z: 51 25.098 2.005 0.506 0.544 0.900 0.460 CB 1.251 51 residues pruned to eliminate duplicates Z: 23 19.954 1.994 0.771 0.622 0.864 0.409 CB 1.243 23 residues pruned to eliminate duplicates Z: 33 19.648 1.989 0.667 0.527 0.812 0.438 CB 1.255 35 residues pruned to eliminate duplicates Z: 14 23.586 1.911 1.086 0.614 0.923 0.615 CA 1.596 14 residues pruned to eliminate duplicates Z: 26 20.404 1.886 0.737 0.579 0.960 0.360 CB 1.203 25 residues pruned to eliminate duplicates Z: 11 17.648 1.977 1.111 0.895 0.800 0.400 CB 1.198 11 residues pruned to eliminate duplicates Z: 10 19.289 2.038 1.134 0.859 0.889 0.556 CB 1.224 11 residues pruned to eliminate duplicates Z: 12 16.405 1.908 0.972 0.810 0.818 0.455 CB 1.227 12 residues pruned to eliminate duplicates Z: 51 22.410 1.961 0.550 0.484 0.840 0.380 CB 1.261 51 residues pruned to eliminate duplicates Z: 41 25.163 2.018 0.665 0.497 0.900 0.300 CB 1.320 41 residues pruned to eliminate duplicates Z: 22 17.055 1.952 0.673 0.587 0.905 0.429 CB 1.159 22 residues pruned to eliminate duplicates Z: 17 14.734 1.978 0.531 0.551 0.875 0.438 CB 1.323 17 residues pruned to eliminate duplicates Z: 15 11.375 1.890 0.679 0.638 0.786 0.357 CB 1.072 15 residues pruned to eliminate duplicates Z: 66 72.614 2.266 0.930 0.759 0.938 0.708 CA 1.743 66 residues pruned to eliminate duplicates Z: 41 72.795 2.411 1.059 0.821 1.000 0.700 CB 1.755 41 residues pruned to eliminate duplicates Z: 67 68.945 2.262 0.908 0.736 0.955 0.636 CB 1.667 67 residues pruned to eliminate duplicates Z: 44 66.670 2.355 0.956 0.789 1.000 0.767 CB 1.712 44 residues pruned to eliminate duplicates Z: 72 64.984 2.183 0.955 0.686 0.930 0.577 CA 1.638 72 residues pruned to eliminate duplicates Z: 78 71.744 2.283 0.816 0.689 0.961 0.636 CB 1.726 78 residues pruned to eliminate duplicates Z: 64 75.835 2.306 0.983 0.759 0.937 0.651 CB 1.772 64 residues pruned to eliminate duplicates Z: 42 72.040 2.404 0.996 0.838 1.000 0.732 CA 1.753 42 residues pruned to eliminate duplicates Z: 46 67.416 2.374 0.928 0.827 0.978 0.733 CB 1.692 46 residues pruned to eliminate duplicates Z: 66 64.298 2.263 0.849 0.725 0.923 0.646 CB 1.686 66 residues pruned to eliminate duplicates Z: 44 68.573 2.368 0.966 0.799 1.000 0.651 CB 1.730 44 residues pruned to eliminate duplicates Z: 41 67.610 2.402 1.020 0.824 1.000 0.675 CB 1.663 41 residues pruned to eliminate duplicates Z: 62 79.826 2.317 0.997 0.794 1.000 0.607 CB 1.708 62 residues pruned to eliminate duplicates Z: 41 69.871 2.396 1.049 0.829 1.000 0.600 CB 1.694 41 residues pruned to eliminate duplicates Z: 45 64.771 2.355 0.968 0.788 0.977 0.682 CB 1.675 45 residues pruned to eliminate duplicates Z: 66 70.432 2.267 0.942 0.746 0.938 0.631 CB 1.697 66 residues pruned to eliminate duplicates Z: 40 73.109 2.466 0.968 0.885 1.000 0.692 CB 1.742 40 residues pruned to eliminate duplicates Z: 38 73.082 2.460 1.049 0.881 1.000 0.541 CB 1.726 38 residues pruned to eliminate duplicates Z: 63 70.990 2.301 1.042 0.753 0.919 0.661 CB 1.665 63 residues pruned to eliminate duplicates Z: 43 62.227 2.350 1.040 0.803 0.905 0.548 CB 1.699 43 residues pruned to eliminate duplicates Z: 24 59.492 2.451 1.111 0.825 0.957 0.826 CA 1.892 24 residues pruned to eliminate duplicates Z: 54 58.455 2.283 0.929 0.691 0.962 0.623 CB 1.591 54 residues pruned to eliminate duplicates Z: 43 61.623 2.350 1.043 0.786 0.952 0.690 CB 1.617 43 residues pruned to eliminate duplicates Z: 71 71.659 2.292 0.924 0.758 0.914 0.500 CB 1.689 71 residues pruned to eliminate duplicates Z: 61 78.624 2.330 0.971 0.795 0.967 0.650 CA 1.765 61 residues pruned to eliminate duplicates Z: 44 60.900 2.353 0.936 0.783 0.953 0.558 CB 1.667 44 residues pruned to eliminate duplicates Z: 64 72.363 2.280 0.948 0.751 0.968 0.492 CB 1.695 64 residues pruned to eliminate duplicates Z: 47 60.701 2.298 0.912 0.752 0.913 0.565 CB 1.782 47 residues pruned to eliminate duplicates Z: 61 74.984 2.309 0.978 0.807 0.933 0.517 CB 1.737 61 residues pruned to eliminate duplicates Z: 61 79.171 2.342 1.053 0.777 0.950 0.633 CB 1.752 61 residues pruned to eliminate duplicates Z: 62 73.257 2.319 1.030 0.766 0.902 0.607 CB 1.745 62 residues pruned to eliminate duplicates Z: 38 70.507 2.456 1.164 0.867 0.946 0.541 CB 1.686 38 residues pruned to eliminate duplicates Z: 43 66.558 2.370 1.016 0.798 0.976 0.690 CB 1.696 43 residues pruned to eliminate duplicates Z: 67 69.290 2.248 0.894 0.771 0.924 0.576 CB 1.704 67 residues pruned to eliminate duplicates Z: 64 73.532 2.285 1.058 0.745 0.968 0.556 CB 1.635 64 residues pruned to eliminate duplicates Z: 61 77.398 2.336 1.031 0.783 0.950 0.567 CB 1.729 61 residues pruned to eliminate duplicates Z: 63 64.850 2.285 0.926 0.739 0.952 0.629 CB 1.587 63 residues pruned to eliminate duplicates Z: 65 69.166 2.285 0.942 0.739 0.922 0.562 CB 1.706 65 residues pruned to eliminate duplicates Z: 49 65.244 2.339 1.076 0.770 0.917 0.604 CB 1.666 49 residues pruned to eliminate duplicates Z: 61 83.172 2.319 1.043 0.807 0.983 0.600 CB 1.763 61 residues pruned to eliminate duplicates Z: 65 72.355 2.277 0.968 0.754 0.938 0.469 CB 1.717 65 residues pruned to eliminate duplicates Z: 50 50.283 2.247 0.870 0.703 0.816 0.429 CB 1.741 50 residues pruned to eliminate duplicates Z: 65 68.704 2.259 0.941 0.736 0.938 0.547 CB 1.690 65 residues pruned to eliminate duplicates Z: 64 72.274 2.277 0.927 0.766 0.968 0.476 CB 1.692 64 residues pruned to eliminate duplicates Z: 63 73.697 2.287 0.993 0.789 0.952 0.371 CB 1.673 63 residues pruned to eliminate duplicates Z: 63 79.583 2.293 1.084 0.782 0.952 0.468 CB 1.734 63 residues pruned to eliminate duplicates Z: 63 77.061 2.281 1.050 0.781 0.952 0.468 CB 1.717 63 residues pruned to eliminate duplicates Z: 63 76.496 2.275 1.018 0.783 0.968 0.565 CA 1.704 63 residues pruned to eliminate duplicates Z: 69 67.094 2.210 1.021 0.744 0.897 0.456 CB 1.633 69 residues pruned to eliminate duplicates Z: 48 64.190 2.280 1.079 0.740 0.915 0.532 CB 1.742 48 residues pruned to eliminate duplicates Z: 140 76.556 2.138 0.852 0.667 0.899 0.554 CB 1.562 140 residues pruned to eliminate duplicates Z: 61 70.271 2.335 1.028 0.786 0.883 0.483 CB 1.687 61 residues pruned to eliminate duplicates Z: 67 71.301 2.267 1.019 0.739 0.924 0.591 CB 1.674 67 residues pruned to eliminate duplicates Z: 61 73.679 2.323 1.070 0.789 0.917 0.550 CB 1.675 61 residues pruned to eliminate duplicates Z: 65 64.202 2.269 0.984 0.743 0.891 0.359 CB 1.611 65 residues pruned to eliminate duplicates Z: 67 66.956 2.255 0.901 0.743 0.939 0.485 CB 1.647 67 residues pruned to eliminate duplicates Z: 64 78.173 2.295 1.078 0.771 0.952 0.429 CB 1.706 64 residues pruned to eliminate duplicates Z: 67 69.553 2.249 1.004 0.736 0.939 0.591 CB 1.636 67 residues pruned to eliminate duplicates Z: 67 73.404 2.263 1.097 0.735 0.924 0.515 CB 1.668 67 residues pruned to eliminate duplicates Z: 67 64.387 2.228 0.941 0.728 0.924 0.500 CB 1.614 67 residues pruned to eliminate duplicates Z: 19 26.130 2.050 0.807 0.676 0.889 0.444 CA 1.591 19 residues pruned to eliminate duplicates Z: 61 76.688 2.325 1.069 0.783 0.950 0.567 CB 1.689 61 residues pruned to eliminate duplicates Z: 15 8.901 1.859 0.373 0.398 0.929 0.714 CB 1.118 14 residues pruned to eliminate duplicates Z: 6 6.526 1.779 0.829 0.425 1.000 0.600 CA 0.970 6 residues pruned to eliminate duplicates Z: 23 20.952 1.887 0.460 0.681 0.909 0.636 CB 1.510 24 residues pruned to eliminate duplicates Z: 12 20.149 2.275 0.541 0.660 0.909 0.818 CA 1.644 12 residues pruned to eliminate duplicates Z: 31 16.305 1.979 0.457 0.384 0.867 0.567 CB 1.348 31 residues pruned to eliminate duplicates Z: 28 19.380 2.002 0.446 0.471 0.926 0.481 CB 1.432 28 residues pruned to eliminate duplicates Z: 14 17.659 2.155 0.614 0.625 0.846 0.615 CA 1.479 14 residues pruned to eliminate duplicates Z: 22 17.697 2.050 0.496 0.520 0.905 0.762 CB 1.365 22 residues pruned to eliminate duplicates Z: 18 18.242 2.081 0.586 0.479 0.941 0.412 CB 1.454 18 residues pruned to eliminate duplicates Z: 30 19.658 2.126 0.698 0.417 0.759 0.483 CB 1.454 30 residues pruned to eliminate duplicates Z: 28 19.395 2.082 0.480 0.468 0.889 0.593 CA 1.407 28 residues pruned to eliminate duplicates Z: 12 21.320 2.202 0.748 0.746 0.909 0.636 CA 1.475 12 residues pruned to eliminate duplicates Z: 20 23.776 2.242 0.579 0.551 0.947 0.579 CA 1.547 20 residues pruned to eliminate duplicates Z: 27 22.663 2.042 0.618 0.498 0.962 0.615 CB 1.402 27 residues pruned to eliminate duplicates Z: 32 18.520 2.022 0.561 0.455 0.806 0.516 CB 1.369 32 residues pruned to eliminate duplicates Z: 17 13.121 2.006 0.795 0.331 0.875 0.562 CB 1.253 17 residues pruned to eliminate duplicates Z: 32 20.259 2.078 0.444 0.441 0.903 0.613 CB 1.426 32 residues pruned to eliminate duplicates Z: 12 10.895 2.037 0.533 0.301 0.909 0.364 CB 1.446 12 residues pruned to eliminate duplicates Z: 61 31.345 2.085 0.569 0.459 0.867 0.567 CB 1.488 61 residues pruned to eliminate duplicates Z: 41 36.128 2.256 0.665 0.582 0.875 0.650 CB 1.607 41 residues pruned to eliminate duplicates Z: 21 18.976 2.181 0.622 0.519 0.850 0.700 CA 1.384 21 residues pruned to eliminate duplicates Z: 49 44.477 2.133 0.590 0.717 0.938 0.792 CB 1.659 49 residues pruned to eliminate duplicates Z: 50 44.923 2.128 0.738 0.676 0.939 0.776 CB 1.572 50 residues pruned to eliminate duplicates Z: 50 48.811 2.120 0.760 0.675 0.959 0.653 CB 1.659 50 residues pruned to eliminate duplicates Z: 52 44.939 2.096 0.589 0.691 0.961 0.667 CB 1.651 52 residues pruned to eliminate duplicates Z: 53 44.293 2.073 0.603 0.695 0.942 0.635 CB 1.641 53 residues pruned to eliminate duplicates Z: 16 30.088 2.084 0.969 0.732 0.933 0.867 N 1.647 16 residues pruned to eliminate duplicates Z: 51 47.504 2.125 0.730 0.691 0.920 0.800 CB 1.668 51 residues pruned to eliminate duplicates Z: 48 47.966 2.164 0.614 0.716 1.000 0.723 CB 1.647 48 residues pruned to eliminate duplicates Z: 16 25.602 2.058 0.766 0.739 0.933 0.667 CA 1.574 16 residues pruned to eliminate duplicates Z: 47 47.107 2.161 0.652 0.707 0.978 0.696 CB 1.648 47 residues pruned to eliminate duplicates Z: 49 45.763 2.142 0.579 0.700 0.979 0.688 CB 1.662 49 residues pruned to eliminate duplicates Z: 15 34.189 2.087 1.048 0.803 1.000 0.857 N 1.640 15 residues pruned to eliminate duplicates Z: 49 46.061 2.146 0.612 0.704 0.979 0.688 CB 1.630 49 residues pruned to eliminate duplicates Z: 49 52.505 2.143 0.789 0.705 0.979 0.688 CB 1.676 49 residues pruned to eliminate duplicates Z: 49 50.406 2.145 0.761 0.690 0.958 0.688 CB 1.689 49 residues pruned to eliminate duplicates Z: 47 44.040 2.158 0.643 0.701 0.957 0.717 CB 1.594 47 residues pruned to eliminate duplicates Z: 48 43.105 2.140 0.610 0.692 0.936 0.574 CB 1.636 48 residues pruned to eliminate duplicates Z: 48 48.186 2.158 0.638 0.705 0.979 0.745 CB 1.685 48 residues pruned to eliminate duplicates Z: 48 47.283 2.153 0.659 0.700 0.957 0.766 CB 1.680 48 residues pruned to eliminate duplicates Z: 52 46.345 2.099 0.727 0.663 0.980 0.725 CB 1.570 52 residues pruned to eliminate duplicates Z: 48 50.588 2.161 0.710 0.718 0.979 0.766 CB 1.676 48 residues pruned to eliminate duplicates Z: 51 51.185 2.114 0.723 0.707 1.000 0.760 CB 1.646 51 residues pruned to eliminate duplicates Z: 47 52.101 2.131 0.822 0.705 1.000 0.478 CB 1.642 49 residues pruned to eliminate duplicates Z: 10 17.179 2.045 0.647 0.832 0.889 0.667 CA 1.436 10 residues pruned to eliminate duplicates Z: 49 49.284 2.146 0.743 0.699 0.938 0.708 CA 1.692 49 residues pruned to eliminate duplicates Z: 51 49.410 2.112 0.619 0.735 1.000 0.860 CB 1.655 49 residues pruned to eliminate duplicates Z: 8 10.265 1.902 0.746 0.712 0.857 0.571 CA 1.124 8 residues pruned to eliminate duplicates Z: 37 34.811 2.087 0.629 0.630 0.944 0.722 CB 1.600 37 residues pruned to eliminate duplicates Z: 50 42.127 2.103 0.626 0.663 0.939 0.551 CB 1.613 50 residues pruned to eliminate duplicates Z: 49 44.678 2.106 0.660 0.686 0.979 0.729 CB 1.588 49 residues pruned to eliminate duplicates Z: 49 42.904 2.073 0.614 0.693 0.958 0.667 CA 1.618 49 residues pruned to eliminate duplicates Z: 52 45.683 2.057 0.745 0.700 0.941 0.569 CB 1.577 52 residues pruned to eliminate duplicates Z: 49 45.080 2.119 0.526 0.718 1.000 0.833 CA 1.652 49 residues pruned to eliminate duplicates Z: 35 47.176 2.201 0.913 0.639 1.000 0.706 CB 1.687 35 residues pruned to eliminate duplicates Z: 51 46.340 2.088 0.749 0.692 0.960 0.700 CB 1.569 51 residues pruned to eliminate duplicates Z: 32 40.093 2.152 0.695 0.692 0.968 0.677 CA 1.712 32 residues pruned to eliminate duplicates Z: 49 50.082 2.127 0.746 0.676 0.979 0.688 CB 1.689 49 residues pruned to eliminate duplicates Z: 50 52.044 2.121 0.818 0.724 1.000 0.673 CB 1.576 50 residues pruned to eliminate duplicates Z: 50 47.707 2.112 0.794 0.688 0.959 0.735 CB 1.579 50 residues pruned to eliminate duplicates Z: 46 48.410 2.155 0.801 0.698 0.956 0.689 CB 1.624 46 residues pruned to eliminate duplicates Z: 50 45.881 2.091 0.812 0.669 0.918 0.612 CB 1.611 50 residues pruned to eliminate duplicates Z: 37 35.102 2.085 0.616 0.655 0.972 0.750 CB 1.546 40 residues pruned to eliminate duplicates Z: 19 32.969 1.991 0.749 0.926 1.000 0.778 CB 1.565 17 residues pruned to eliminate duplicates Z: 21 28.201 1.849 0.836 0.891 0.950 0.750 CB 1.406 20 residues pruned to eliminate duplicates Z: 19 18.511 1.828 0.795 0.819 0.833 0.722 CB 1.209 19 residues pruned to eliminate duplicates Z: 38 37.252 2.079 0.858 0.591 0.919 0.595 CB 1.581 38 residues pruned to eliminate duplicates Z: 52 51.079 2.099 0.902 0.713 0.941 0.608 CB 1.569 52 residues pruned to eliminate duplicates Z: 49 55.283 2.145 0.856 0.739 1.000 0.771 CB 1.618 49 residues pruned to eliminate duplicates Z: 37 39.420 2.094 0.646 0.708 1.000 0.694 CB 1.578 37 residues pruned to eliminate duplicates Z: 28 20.462 2.002 0.547 0.491 0.889 0.519 CB 1.444 28 residues pruned to eliminate duplicates Z: 29 24.738 1.998 0.684 0.577 0.893 0.607 CB 1.445 29 residues pruned to eliminate duplicates Z: 26 21.165 2.043 0.485 0.503 0.960 0.720 CB 1.449 26 residues pruned to eliminate duplicates Z: 11 5.968 1.689 0.240 0.347 0.900 0.500 CA 1.182 11 residues pruned to eliminate duplicates Z: 58 41.027 2.171 0.727 0.535 0.930 0.649 CB 1.506 58 residues pruned to eliminate duplicates Z: 20 31.911 2.166 0.886 0.752 0.947 0.737 CA 1.511 20 residues pruned to eliminate duplicates Z: 16 38.311 2.227 1.085 0.849 0.933 0.867 CB 1.692 16 residues pruned to eliminate duplicates Z: 26 22.442 2.100 0.702 0.509 0.840 0.600 CB 1.482 26 residues pruned to eliminate duplicates Z: 39 30.065 1.984 0.762 0.573 0.895 0.579 CB 1.454 39 residues pruned to eliminate duplicates Z: 58 34.154 2.059 0.635 0.490 0.895 0.632 CB 1.517 58 residues pruned to eliminate duplicates Z: 60 33.080 2.088 0.642 0.441 0.881 0.508 CB 1.515 60 residues pruned to eliminate duplicates Z: 25 29.322 2.135 0.832 0.642 0.875 0.750 CA 1.532 25 residues pruned to eliminate duplicates Z: 20 34.626 2.193 0.806 0.664 1.000 0.789 CA 1.723 20 residues pruned to eliminate duplicates Z: 25 25.322 2.011 0.795 0.574 0.875 0.625 CA 1.524 25 residues pruned to eliminate duplicates Z: 22 23.594 2.103 0.832 0.602 0.810 0.619 CB 1.499 22 residues pruned to eliminate duplicates Z: 25 35.022 2.076 1.025 0.606 0.958 0.708 CA 1.604 25 residues pruned to eliminate duplicates Z: 20 32.196 2.186 0.750 0.660 1.000 0.737 CA 1.664 20 residues pruned to eliminate duplicates Z: 45 33.273 2.155 0.651 0.516 0.886 0.614 CB 1.565 45 residues pruned to eliminate duplicates Z: 33 34.188 2.096 0.873 0.581 0.875 0.688 CA 1.628 33 residues pruned to eliminate duplicates Z: 31 27.092 2.116 0.703 0.561 0.833 0.567 CA 1.553 31 residues pruned to eliminate duplicates Z: 19 25.419 2.147 0.896 0.623 0.833 0.667 CA 1.572 19 residues pruned to eliminate duplicates Z: 42 31.079 1.961 0.856 0.505 0.854 0.561 CB 1.554 42 residues pruned to eliminate duplicates Z: 27 35.555 2.150 0.905 0.610 0.923 0.615 CB 1.662 27 residues pruned to eliminate duplicates Z: 33 23.470 2.046 0.712 0.527 0.781 0.531 CB 1.476 33 residues pruned to eliminate duplicates Z: 19 13.081 1.746 0.661 0.432 0.944 0.500 CB 1.208 22 residues pruned to eliminate duplicates Z: 14 9.788 1.570 0.981 0.601 0.846 0.462 CB 0.937 14 residues pruned to eliminate duplicates Z: 47 43.227 2.167 0.888 0.594 0.870 0.522 CB 1.637 47 residues pruned to eliminate duplicates Z: 24 11.602 1.775 0.632 0.413 0.739 0.391 CB 1.238 26 residues pruned to eliminate duplicates Z: 9 4.062 1.592 0.292 0.578 0.750 0.500 CB 0.864 9 residues pruned to eliminate duplicates Z: 22 10.240 1.788 0.411 0.388 0.857 0.571 CB 1.164 22 residues pruned to eliminate duplicates Z: 12 5.256 1.622 0.461 0.189 1.000 0.182 CB 0.971 12 residues pruned to eliminate duplicates Z: 43 21.966 1.915 0.671 0.427 0.833 0.476 CA 1.371 43 residues pruned to eliminate duplicates Z: 13 6.152 1.663 0.403 0.315 0.833 0.000 CA 1.121 13 residues pruned to eliminate duplicates Z: 13 8.593 1.770 0.641 0.403 0.750 0.250 CA 1.260 13 residues pruned to eliminate duplicates Z: 8 3.179 1.529 0.307 0.373 0.857 0.143 CA 0.804 8 residues pruned to eliminate duplicates Z: 16 16.532 1.920 0.624 0.678 0.933 0.600 CA 1.246 16 residues pruned to eliminate duplicates Z: 17 15.939 1.848 0.601 0.700 0.875 0.750 CA 1.284 17 residues pruned to eliminate duplicates Z: 66 32.564 2.089 0.613 0.455 0.877 0.523 CB 1.431 66 residues pruned to eliminate duplicates Z: 11 5.182 1.732 0.304 0.215 0.800 0.400 CA 1.267 11 residues pruned to eliminate duplicates Z: 65 33.459 2.103 0.591 0.464 0.859 0.516 CB 1.508 67 residues pruned to eliminate duplicates Z: 12 10.324 1.949 0.206 0.808 0.818 0.727 CA 1.238 12 residues pruned to eliminate duplicates Z: 14 17.289 1.918 0.816 0.694 0.846 0.538 CA 1.363 14 residues pruned to eliminate duplicates Z: 61 36.979 2.148 0.686 0.505 0.917 0.583 CB 1.431 61 residues pruned to eliminate duplicates Z: 83 42.575 2.109 0.659 0.516 0.890 0.622 CB 1.485 83 residues pruned to eliminate duplicates Z: 13 13.132 1.937 0.538 0.656 1.000 0.583 CB 1.101 13 residues pruned to eliminate duplicates Z: 81 42.036 2.123 0.627 0.512 0.913 0.625 CB 1.474 81 residues pruned to eliminate duplicates Z: 11 10.990 1.979 0.667 0.317 0.900 0.500 CB 1.432 11 residues pruned to eliminate duplicates Z: 75 41.242 2.165 0.587 0.540 0.892 0.581 CB 1.505 75 residues pruned to eliminate duplicates Z: 9 8.139 1.893 0.857 0.306 0.750 0.625 CB 1.354 9 residues pruned to eliminate duplicates Z: 33 28.278 2.203 0.682 0.557 0.906 0.594 CB 1.408 33 residues pruned to eliminate duplicates Z: 20 18.784 1.966 0.599 0.488 1.000 0.579 CB 1.387 20 residues pruned to eliminate duplicates Z: 71 43.830 2.172 0.659 0.550 0.929 0.557 CB 1.491 71 residues pruned to eliminate duplicates Z: 12 6.462 1.796 0.876 0.265 0.636 0.545 CA 1.187 12 residues pruned to eliminate duplicates Z: 21 17.192 1.904 0.556 0.560 0.950 0.600 CB 1.289 21 residues pruned to eliminate duplicates Z: 54 30.791 2.116 0.575 0.419 0.925 0.547 CB 1.494 54 residues pruned to eliminate duplicates Z: 40 33.807 2.294 0.617 0.438 0.974 0.538 CB 1.596 40 residues pruned to eliminate duplicates Z: 46 29.831 2.181 0.553 0.400 0.933 0.556 CB 1.562 46 residues pruned to eliminate duplicates Z: 36 27.828 2.252 0.615 0.415 0.971 0.514 CB 1.455 36 residues pruned to eliminate duplicates Z: 69 46.041 2.189 0.647 0.571 0.941 0.691 CB 1.537 69 residues pruned to eliminate duplicates Z: 49 35.449 2.196 0.698 0.499 0.958 0.562 CB 1.434 49 residues pruned to eliminate duplicates Z: 70 40.399 2.150 0.637 0.514 0.928 0.565 CB 1.469 70 residues pruned to eliminate duplicates Z: 59 38.564 2.203 0.543 0.515 0.948 0.655 CB 1.547 59 residues pruned to eliminate duplicates Z: 71 43.936 2.146 0.768 0.530 0.943 0.543 CB 1.425 71 residues pruned to eliminate duplicates Z: 60 36.407 2.234 0.583 0.452 0.915 0.593 CB 1.538 60 residues pruned to eliminate duplicates Z: 40 31.256 2.284 0.655 0.414 0.923 0.462 CB 1.570 40 residues pruned to eliminate duplicates Z: 43 36.776 2.297 0.663 0.471 0.952 0.643 CB 1.607 43 residues pruned to eliminate duplicates Z: 44 29.937 2.196 0.627 0.429 0.930 0.605 CB 1.479 44 residues pruned to eliminate duplicates Z: 59 30.786 2.113 0.551 0.391 0.948 0.552 CB 1.460 59 residues pruned to eliminate duplicates Z: 34 29.758 2.314 0.613 0.410 0.970 0.545 CB 1.573 34 residues pruned to eliminate duplicates Z: 44 25.914 2.231 0.474 0.383 0.884 0.535 CB 1.540 44 residues pruned to eliminate duplicates Z: 67 41.873 2.174 0.717 0.529 0.924 0.606 CB 1.451 67 residues pruned to eliminate duplicates Z: 52 35.984 2.148 0.759 0.447 0.922 0.471 CB 1.527 52 residues pruned to eliminate duplicates Z: 50 26.771 2.130 0.510 0.373 0.918 0.490 CB 1.482 50 residues pruned to eliminate duplicates Z: 66 43.033 2.172 0.662 0.555 0.969 0.646 CB 1.447 66 residues pruned to eliminate duplicates Z: 72 47.237 2.160 0.728 0.552 0.958 0.676 CB 1.491 72 residues pruned to eliminate duplicates Z: 63 36.873 2.102 0.662 0.459 0.952 0.565 CB 1.469 63 residues pruned to eliminate duplicates Z: 70 39.007 2.141 0.605 0.552 0.913 0.594 CB 1.422 70 residues pruned to eliminate duplicates Z: 41 25.390 2.148 0.688 0.372 0.875 0.500 CB 1.452 41 residues pruned to eliminate duplicates Z: 52 41.962 2.243 0.716 0.558 0.922 0.627 CB 1.565 52 residues pruned to eliminate duplicates Z: 127 70.218 2.149 0.746 0.640 0.960 0.722 CB 1.522 137 residues pruned to eliminate duplicates Z: 6 3.737 1.566 0.611 0.402 1.000 0.400 CA 0.735 6 residues pruned to eliminate duplicates Z: 82 38.349 2.073 0.610 0.474 0.926 0.593 CB 1.416 82 residues pruned to eliminate duplicates Z: 64 47.854 2.232 0.752 0.582 0.937 0.587 CB 1.522 64 residues pruned to eliminate duplicates Z: 77 46.114 2.129 0.658 0.552 0.974 0.566 CB 1.463 77 residues pruned to eliminate duplicates Z: 63 38.524 2.160 0.738 0.465 0.903 0.484 CB 1.496 63 residues pruned to eliminate duplicates Z: 84 60.943 2.110 0.809 0.707 0.928 0.651 CB 1.566 84 residues pruned to eliminate duplicates Z: 41 32.653 2.012 0.765 0.609 0.925 0.575 CB 1.418 41 residues pruned to eliminate duplicates Z: 92 52.098 2.148 0.767 0.570 0.923 0.593 CB 1.457 92 residues pruned to eliminate duplicates Z: 20 20.984 2.071 0.520 0.624 0.895 0.579 CB 1.521 20 residues pruned to eliminate duplicates Z: 31 28.728 2.021 0.800 0.631 0.900 0.700 CB 1.417 31 residues pruned to eliminate duplicates Z: 28 27.061 1.993 0.844 0.710 0.889 0.630 CB 1.318 28 residues pruned to eliminate duplicates Z: 42 29.571 1.991 0.726 0.628 0.878 0.585 CB 1.357 42 residues pruned to eliminate duplicates Z: 36 33.852 2.088 0.710 0.663 0.943 0.571 CB 1.462 36 residues pruned to eliminate duplicates Z: 89 46.246 2.096 0.648 0.539 0.932 0.568 CB 1.474 89 residues pruned to eliminate duplicates Z: 40 29.221 1.994 0.647 0.652 0.897 0.590 CB 1.378 40 residues pruned to eliminate duplicates Z: 39 27.971 2.028 0.692 0.633 0.868 0.500 CB 1.343 39 residues pruned to eliminate duplicates Z: 33 28.848 2.048 0.772 0.700 0.875 0.562 CB 1.339 33 residues pruned to eliminate duplicates Z: 75 49.826 2.149 0.771 0.554 0.973 0.541 CB 1.483 75 residues pruned to eliminate duplicates Z: 38 33.703 2.017 0.886 0.649 0.919 0.541 CB 1.380 38 residues pruned to eliminate duplicates Z: 84 49.444 2.159 0.738 0.568 0.904 0.566 CB 1.498 84 residues pruned to eliminate duplicates Z: 40 29.875 1.946 0.706 0.592 0.897 0.641 CB 1.471 40 residues pruned to eliminate duplicates Z: 40 37.021 2.030 0.894 0.685 0.923 0.462 CB 1.410 40 residues pruned to eliminate duplicates Z: 31 34.122 2.095 0.793 0.656 0.933 0.633 CB 1.536 31 residues pruned to eliminate duplicates Z: 74 46.853 2.147 0.760 0.511 0.945 0.616 CB 1.518 74 residues pruned to eliminate duplicates Z: 35 37.179 2.106 0.786 0.692 0.971 0.618 CB 1.465 35 residues pruned to eliminate duplicates Z: 38 35.769 2.063 0.664 0.685 0.973 0.595 CB 1.486 38 residues pruned to eliminate duplicates Z: 38 33.673 2.046 0.670 0.705 0.892 0.622 CB 1.507 38 residues pruned to eliminate duplicates Z: 39 34.364 2.065 0.734 0.693 0.921 0.658 CB 1.417 39 residues pruned to eliminate duplicates Z: 14 10.044 1.862 0.405 0.460 0.923 0.385 CB 1.202 14 residues pruned to eliminate duplicates Z: 17 10.619 1.816 0.313 0.455 0.875 0.375 CB 1.333 17 residues pruned to eliminate duplicates Z: 81 43.527 2.114 0.696 0.496 0.925 0.600 CB 1.473 81 residues pruned to eliminate duplicates Z: 14 8.612 1.718 0.273 0.576 0.769 0.385 CB 1.319 14 residues pruned to eliminate duplicates Z: 10 11.293 1.879 0.327 0.617 1.000 0.444 CB 1.352 10 residues pruned to eliminate duplicates Z: 17 8.400 1.683 0.232 0.395 0.875 0.438 CA 1.293 17 residues pruned to eliminate duplicates Z: 36 28.867 1.984 0.652 0.627 0.943 0.514 CB 1.401 36 residues pruned to eliminate duplicates Z: 58 50.352 2.088 0.791 0.699 0.947 0.719 CB 1.570 58 residues pruned to eliminate duplicates Z: 54 53.789 2.108 0.831 0.733 0.943 0.679 CB 1.646 54 residues pruned to eliminate duplicates Z: 84 61.673 2.188 0.904 0.591 0.964 0.542 CB 1.545 84 residues pruned to eliminate duplicates Z: 64 50.196 1.999 0.710 0.777 0.952 0.635 CB 1.521 64 residues pruned to eliminate duplicates Z: 35 24.642 1.939 0.786 0.515 0.882 0.588 CB 1.362 35 residues pruned to eliminate duplicates Z: 61 50.645 2.072 0.633 0.802 0.950 0.767 CB 1.562 61 residues pruned to eliminate duplicates Z: 47 54.573 2.166 0.953 0.759 0.935 0.652 CB 1.616 47 residues pruned to eliminate duplicates Z: 18 36.024 2.212 1.114 0.722 0.941 0.765 CB 1.625 18 residues pruned to eliminate duplicates Z: 56 40.841 2.082 0.815 0.655 0.855 0.564 CB 1.477 56 residues pruned to eliminate duplicates Z: 61 46.214 1.991 0.700 0.711 0.933 0.700 CB 1.559 61 residues pruned to eliminate duplicates Z: 67 38.197 1.941 0.679 0.687 0.879 0.636 CB 1.384 67 residues pruned to eliminate duplicates Z: 50 48.759 2.148 0.904 0.712 0.857 0.633 CB 1.639 50 residues pruned to eliminate duplicates Z: 57 40.892 2.064 0.836 0.601 0.911 0.536 CB 1.438 57 residues pruned to eliminate duplicates Z: 49 52.919 2.124 0.941 0.745 0.938 0.729 CB 1.587 49 residues pruned to eliminate duplicates Z: 19 28.098 2.183 0.921 0.678 0.889 0.722 CB 1.508 19 residues pruned to eliminate duplicates Z: 20 26.630 2.063 0.995 0.675 0.842 0.684 CB 1.500 20 residues pruned to eliminate duplicates Z: 47 55.195 2.139 0.902 0.775 0.978 0.717 CB 1.603 47 residues pruned to eliminate duplicates Z: 42 45.819 2.167 0.872 0.718 0.927 0.634 CB 1.563 42 residues pruned to eliminate duplicates Z: 46 55.442 2.171 0.968 0.797 0.911 0.578 CB 1.638 46 residues pruned to eliminate duplicates Z: 47 53.534 2.159 0.886 0.786 0.935 0.609 CB 1.612 47 residues pruned to eliminate duplicates Z: 62 54.967 2.069 0.810 0.783 0.951 0.639 CB 1.541 62 residues pruned to eliminate duplicates Z: 64 48.109 2.016 0.648 0.757 0.952 0.667 CB 1.523 64 residues pruned to eliminate duplicates Z: 48 53.914 2.153 0.926 0.790 0.915 0.617 CB 1.607 48 residues pruned to eliminate duplicates Z: 48 41.849 1.967 0.600 0.773 0.957 0.660 CB 1.592 48 residues pruned to eliminate duplicates Z: 61 44.597 2.011 0.621 0.753 0.900 0.733 CB 1.567 61 residues pruned to eliminate duplicates Z: 47 40.612 1.960 0.584 0.775 0.978 0.739 CB 1.546 47 residues pruned to eliminate duplicates Z: 31 35.643 2.044 0.638 0.787 0.933 0.733 CB 1.618 31 residues pruned to eliminate duplicates Z: 30 34.054 2.033 0.681 0.777 0.931 0.690 CA 1.556 30 residues pruned to eliminate duplicates Z: 57 46.532 2.074 0.709 0.734 0.946 0.696 CB 1.502 57 residues pruned to eliminate duplicates Z: 86 56.670 2.078 0.796 0.694 0.918 0.459 CB 1.502 86 residues pruned to eliminate duplicates Z: 45 60.517 2.212 0.996 0.791 0.977 0.659 CB 1.638 45 residues pruned to eliminate duplicates Z: 47 59.805 2.161 1.069 0.771 0.957 0.652 CB 1.623 47 residues pruned to eliminate duplicates Z: 28 41.382 2.113 0.846 0.810 0.963 0.704 CA 1.619 28 residues pruned to eliminate duplicates Z: 59 44.211 1.948 0.642 0.755 0.966 0.638 CB 1.497 59 residues pruned to eliminate duplicates Z: 45 43.018 1.966 0.666 0.789 0.977 0.659 CB 1.573 45 residues pruned to eliminate duplicates Z: 63 50.953 2.015 0.800 0.781 0.952 0.726 CB 1.464 63 residues pruned to eliminate duplicates Z: 29 47.257 2.152 0.915 0.858 0.964 0.679 CA 1.655 29 residues pruned to eliminate duplicates Z: 53 46.528 2.107 0.910 0.745 0.904 0.577 CB 1.425 53 residues pruned to eliminate duplicates Z: 32 37.112 2.029 0.755 0.747 0.968 0.516 CB 1.551 32 residues pruned to eliminate duplicates Z: 61 55.079 2.034 0.915 0.793 0.967 0.500 CB 1.460 61 residues pruned to eliminate duplicates Z: 59 42.253 1.937 0.674 0.746 0.948 0.552 CB 1.448 59 residues pruned to eliminate duplicates Z: 63 53.633 2.041 0.792 0.784 0.952 0.548 CB 1.524 63 residues pruned to eliminate duplicates Z: 61 49.069 1.994 0.767 0.742 0.950 0.550 CB 1.524 61 residues pruned to eliminate duplicates Z: 95 59.843 2.021 0.826 0.715 0.936 0.511 CB 1.471 95 residues pruned to eliminate duplicates Z: 100 63.281 2.029 0.821 0.746 0.960 0.505 CB 1.440 100 residues pruned to eliminate duplicates Z: 47 59.894 2.148 1.050 0.810 0.935 0.630 CB 1.637 47 residues pruned to eliminate duplicates 589 residues left after pruning, divided into chains as follows: A: 14 B: 156 C: 7 D: 65 E: 22 F: 28 G: 57 H: 81 I: 159 CC for partial structure against native data = 39.57 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.497, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.560, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.667, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.673, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.681, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.683, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.687, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.689, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.690, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.691, Connect. = 0.805 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3494 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 831 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 19.975 2.203 0.706 0.873 0.818 0.636 CB 1.426 B: 11 17.544 2.241 0.591 0.814 1.000 0.600 CB 1.184 11 residues pruned to eliminate duplicates C: 12 21.096 2.149 0.858 0.831 0.909 0.364 CB 1.317 12 residues pruned to eliminate duplicates D: 14 44.066 2.290 0.997 0.923 1.000 0.923 N 1.878 E: 29 64.000 2.370 1.058 0.927 0.964 0.393 CA 1.802 F: 27 58.810 2.432 0.945 0.938 0.962 0.654 CA 1.763 27 residues pruned to eliminate duplicates G: 27 69.813 2.445 1.061 0.945 1.000 0.346 CB 1.880 28 residues pruned to eliminate duplicates H: 24 63.475 2.484 1.048 0.950 0.957 0.522 CA 1.876 24 residues pruned to eliminate duplicates I: 11 28.048 2.363 0.761 0.878 0.900 0.700 CA 1.718 11 residues pruned to eliminate duplicates J: 26 62.796 2.477 1.083 0.934 1.000 0.880 CA 1.697 26 residues pruned to eliminate duplicates K: 24 58.078 2.541 0.797 0.951 0.957 0.870 CA 1.911 24 residues pruned to eliminate duplicates L: 45 65.792 2.282 0.923 0.847 1.000 0.636 CA 1.678 28 residues pruned to eliminate duplicates M: 16 29.528 2.170 0.764 0.880 0.933 0.733 CA 1.546 N: 16 32.650 2.269 0.926 0.869 1.000 0.667 CB 1.409 O: 24 64.892 2.503 1.001 0.950 1.000 0.565 CA 1.864 24 residues pruned to eliminate duplicates P: 11 16.429 1.955 0.498 0.891 1.000 0.600 CB 1.276 Q: 14 42.166 2.299 0.997 0.944 1.000 1.000 CA 1.765 14 residues pruned to eliminate duplicates R: 17 31.847 2.065 0.923 0.780 0.938 0.812 CA 1.671 17 residues pruned to eliminate duplicates S: 7 25.298 2.432 0.973 0.682 1.000 1.000 CA 1.822 T: 27 60.347 2.441 0.931 0.940 0.962 0.615 CA 1.814 27 residues pruned to eliminate duplicates U: 15 35.744 2.239 1.027 0.899 0.929 0.786 CB 1.620 15 residues pruned to eliminate duplicates V: 17 31.947 2.068 0.805 0.801 1.000 0.938 CA 1.645 17 residues pruned to eliminate duplicates W: 28 59.951 2.408 0.974 0.908 0.963 0.778 CA 1.790 28 residues pruned to eliminate duplicates X: 17 30.344 1.982 0.801 0.849 1.000 0.938 CA 1.575 17 residues pruned to eliminate duplicates Y: 26 56.294 2.446 0.990 0.915 0.880 0.400 CA 1.858 26 residues pruned to eliminate duplicates Z: 14 49.970 2.379 1.105 0.938 1.000 0.846 CA 1.924 14 residues pruned to eliminate duplicates Z: 11 14.482 1.761 0.470 0.809 1.000 0.400 N 1.352 Z: 27 57.768 2.397 1.046 0.937 0.923 0.808 CA 1.742 27 residues pruned to eliminate duplicates Z: 15 29.273 2.048 0.918 0.908 0.929 0.286 CA 1.524 Z: 44 34.404 2.246 0.725 0.444 0.930 0.488 CB 1.542 12 residues pruned to eliminate duplicates Z: 10 24.820 2.136 0.813 0.833 1.000 0.444 CB 1.602 Z: 24 65.581 2.489 1.091 0.947 1.000 0.652 CA 1.815 24 residues pruned to eliminate duplicates Z: 11 11.617 1.740 0.332 0.809 0.900 0.900 CA 1.345 Z: 34 36.759 1.934 0.660 0.812 0.939 0.697 CB 1.617 Z: 11 14.432 1.930 0.785 0.747 0.700 0.400 CB 1.517 Z: 16 30.538 2.037 0.883 0.893 0.933 0.800 CA 1.581 Z: 23 17.771 1.841 0.388 0.701 0.864 0.591 CB 1.429 Z: 16 31.335 2.166 0.815 0.944 1.000 0.933 CA 1.426 16 residues pruned to eliminate duplicates Z: 16 32.331 2.062 0.909 0.932 1.000 0.867 CA 1.482 15 residues pruned to eliminate duplicates Z: 23 70.471 2.564 1.177 0.954 0.955 0.636 CA 1.939 23 residues pruned to eliminate duplicates Z: 27 61.407 2.467 0.881 0.944 1.000 0.846 CA 1.798 27 residues pruned to eliminate duplicates Z: 27 54.691 2.410 0.837 0.924 1.000 0.808 CA 1.702 27 residues pruned to eliminate duplicates Z: 11 17.443 1.886 0.531 0.827 0.900 0.800 CA 1.600 11 residues pruned to eliminate duplicates Z: 16 21.640 1.940 0.792 0.892 1.000 0.867 CB 1.154 5 residues pruned to eliminate duplicates Z: 17 32.922 2.165 0.982 0.888 1.000 0.688 CB 1.382 16 residues pruned to eliminate duplicates Z: 11 14.905 1.803 0.622 0.842 0.900 0.600 CA 1.334 11 residues pruned to eliminate duplicates Z: 14 35.475 2.087 0.922 0.942 1.000 0.923 N 1.701 15 residues pruned to eliminate duplicates Z: 15 36.486 2.237 0.917 0.946 1.000 0.857 CA 1.572 15 residues pruned to eliminate duplicates Z: 14 45.540 2.338 1.507 0.917 1.000 0.769 CB 1.522 17 residues pruned to eliminate duplicates Z: 29 54.861 2.355 0.878 0.929 1.000 0.679 CA 1.641 29 residues pruned to eliminate duplicates Z: 11 10.146 1.831 0.457 0.498 0.900 0.600 CB 1.339 10 residues pruned to eliminate duplicates Z: 27 37.854 2.091 0.794 0.942 0.962 0.769 CA 1.427 27 residues pruned to eliminate duplicates Z: 28 50.808 2.395 0.775 0.909 0.926 0.741 CA 1.763 28 residues pruned to eliminate duplicates Z: 15 30.369 2.134 0.778 0.939 1.000 0.786 CA 1.486 15 residues pruned to eliminate duplicates Z: 9 16.112 1.970 0.582 0.767 0.875 0.625 CB 1.649 9 residues pruned to eliminate duplicates Z: 15 37.083 2.256 1.038 0.938 1.000 1.000 CA 1.500 15 residues pruned to eliminate duplicates Z: 21 19.123 1.900 0.427 0.682 0.950 0.650 CB 1.405 23 residues pruned to eliminate duplicates Z: 13 20.421 1.875 0.535 0.816 1.000 0.750 CA 1.556 11 residues pruned to eliminate duplicates Z: 31 18.427 1.751 0.491 0.555 0.900 0.567 CB 1.357 22 residues pruned to eliminate duplicates Z: 27 37.954 2.070 0.864 0.874 0.923 0.654 CA 1.521 27 residues pruned to eliminate duplicates Z: 8 20.107 2.443 0.370 0.824 1.000 1.000 CA 1.715 7 residues pruned to eliminate duplicates Z: 16 29.781 1.995 1.006 0.867 0.933 0.667 CB 1.506 16 residues pruned to eliminate duplicates Z: 16 36.286 2.168 1.184 0.942 0.933 0.600 CA 1.470 17 residues pruned to eliminate duplicates Z: 25 68.261 2.488 1.092 0.960 0.958 0.792 CA 1.913 25 residues pruned to eliminate duplicates Z: 11 15.039 1.980 0.407 0.697 0.900 0.800 CA 1.585 Z: 16 28.287 2.157 0.594 0.921 1.000 0.867 CA 1.495 16 residues pruned to eliminate duplicates Z: 18 34.153 2.112 0.906 0.918 1.000 0.706 CB 1.451 Z: 15 5.947 1.732 0.284 0.369 0.714 0.357 CB 1.151 Z: 12 16.158 1.794 0.510 0.847 1.000 0.909 CB 1.336 Z: 9 15.425 2.088 0.635 0.797 1.000 0.875 CA 1.232 9 residues pruned to eliminate duplicates Z: 28 44.383 2.087 0.901 0.936 1.000 0.630 CA 1.498 30 residues pruned to eliminate duplicates Z: 42 20.504 2.043 0.547 0.373 0.780 0.463 CB 1.486 10 residues pruned to eliminate duplicates Z: 78 42.050 2.152 0.648 0.521 0.883 0.506 CB 1.499 55 residues pruned to eliminate duplicates Z: 28 36.907 2.086 0.575 0.917 0.963 0.741 CA 1.584 28 residues pruned to eliminate duplicates Z: 29 38.890 2.089 0.661 0.930 0.964 0.786 CA 1.536 29 residues pruned to eliminate duplicates Z: 21 24.744 1.875 0.411 0.914 1.000 0.850 CB 1.479 Z: 29 63.010 2.343 1.101 0.888 0.964 0.500 CA 1.807 29 residues pruned to eliminate duplicates Z: 13 18.478 1.847 0.796 0.827 1.000 0.750 CA 1.211 13 residues pruned to eliminate duplicates Z: 12 21.171 2.017 0.700 0.831 1.000 0.818 CB 1.399 12 residues pruned to eliminate duplicates Z: 19 28.177 1.929 0.819 0.817 0.944 0.722 CA 1.523 18 residues pruned to eliminate duplicates Z: 9 18.708 2.408 0.503 0.800 0.875 0.875 CA 1.606 8 residues pruned to eliminate duplicates Z: 16 31.710 1.980 0.835 0.916 1.000 1.000 N 1.591 16 residues pruned to eliminate duplicates Z: 44 68.546 2.292 1.012 0.839 0.930 0.442 CA 1.820 45 residues pruned to eliminate duplicates Z: 10 24.997 2.096 1.184 0.920 1.000 0.556 CB 1.282 11 residues pruned to eliminate duplicates Z: 16 36.500 2.251 1.395 0.855 1.000 0.733 CB 1.291 14 residues pruned to eliminate duplicates Z: 10 17.302 2.175 0.481 0.756 0.889 0.444 CB 1.604 11 residues pruned to eliminate duplicates Z: 15 38.510 2.272 0.737 0.927 1.000 1.000 CB 1.828 15 residues pruned to eliminate duplicates Z: 17 24.435 1.961 0.511 0.900 1.000 0.875 CA 1.472 18 residues pruned to eliminate duplicates Z: 59 33.600 2.162 0.553 0.458 0.879 0.655 CB 1.561 61 residues pruned to eliminate duplicates Z: 14 43.859 2.300 1.097 0.917 1.000 0.923 CB 1.780 14 residues pruned to eliminate duplicates Z: 11 14.688 1.957 0.302 0.908 1.000 0.900 CB 1.294 11 residues pruned to eliminate duplicates Z: 12 17.101 1.973 0.692 0.835 0.909 0.545 CB 1.273 12 residues pruned to eliminate duplicates Z: 15 23.798 2.030 0.893 0.930 0.929 0.714 CB 1.246 15 residues pruned to eliminate duplicates Z: 9 20.763 2.375 0.702 0.743 0.875 0.750 CA 1.670 9 residues pruned to eliminate duplicates Z: 21 14.626 1.871 0.370 0.657 0.850 0.600 CB 1.297 21 residues pruned to eliminate duplicates Z: 11 15.711 2.048 0.695 0.747 0.800 0.600 CB 1.435 11 residues pruned to eliminate duplicates Z: 46 39.177 1.895 0.612 0.855 0.956 0.800 CA 1.476 33 residues pruned to eliminate duplicates Z: 15 21.221 2.015 0.568 0.929 1.000 0.857 CB 1.256 15 residues pruned to eliminate duplicates Z: 16 36.098 2.167 1.048 0.916 1.000 0.867 CA 1.483 16 residues pruned to eliminate duplicates Z: 15 30.691 2.326 0.798 0.889 1.000 0.786 CB 1.413 15 residues pruned to eliminate duplicates Z: 10 13.804 2.106 0.018 0.801 1.000 0.778 CA 1.650 10 residues pruned to eliminate duplicates Z: 81 41.400 2.119 0.631 0.458 0.887 0.575 CB 1.576 55 residues pruned to eliminate duplicates Z: 25 40.564 2.105 0.794 0.944 0.958 0.708 CA 1.584 25 residues pruned to eliminate duplicates Z: 11 14.373 1.904 0.484 0.730 0.900 0.800 CA 1.453 18 residues pruned to eliminate duplicates Z: 101 44.704 2.111 0.635 0.527 0.870 0.540 CB 1.450 119 residues pruned to eliminate duplicates Z: 11 10.653 1.782 0.978 0.554 0.800 0.600 CB 1.133 Z: 17 21.343 1.905 0.771 0.900 0.938 0.750 CB 1.205 17 residues pruned to eliminate duplicates Z: 16 25.890 1.950 0.896 0.905 1.000 0.800 CB 1.287 16 residues pruned to eliminate duplicates Z: 9 9.612 1.521 0.580 0.726 1.000 0.625 CA 1.154 9 residues pruned to eliminate duplicates Z: 11 22.359 1.960 1.010 0.909 1.000 0.700 CB 1.273 10 residues pruned to eliminate duplicates Z: 15 29.597 2.251 0.662 0.917 0.929 0.786 CA 1.608 15 residues pruned to eliminate duplicates Z: 13 47.355 2.388 1.200 0.930 1.000 0.917 CA 1.820 13 residues pruned to eliminate duplicates Z: 11 26.629 2.121 0.780 0.865 1.000 1.000 CA 1.633 11 residues pruned to eliminate duplicates Z: 10 15.352 1.820 0.445 0.851 1.000 0.889 CA 1.440 11 residues pruned to eliminate duplicates Z: 9 17.512 2.148 0.238 0.912 1.000 0.875 CA 1.649 9 residues pruned to eliminate duplicates Z: 13 18.155 1.981 0.593 0.814 1.000 0.750 CB 1.264 13 residues pruned to eliminate duplicates Z: 8 14.617 1.913 0.410 0.852 1.000 1.000 CB 1.514 8 residues pruned to eliminate duplicates Z: 70 47.292 2.189 0.800 0.551 0.913 0.594 CB 1.505 70 residues pruned to eliminate duplicates Z: 22 25.172 1.812 0.497 0.927 1.000 0.810 CB 1.418 21 residues pruned to eliminate duplicates Z: 13 31.933 2.314 0.961 0.886 0.917 0.333 CA 1.599 13 residues pruned to eliminate duplicates Z: 22 28.510 1.838 0.645 0.913 1.000 0.857 CB 1.456 21 residues pruned to eliminate duplicates Z: 28 41.815 2.123 0.711 0.936 0.963 0.667 CA 1.602 28 residues pruned to eliminate duplicates Z: 22 14.161 1.927 0.613 0.467 0.857 0.381 CB 1.199 21 residues pruned to eliminate duplicates Z: 16 29.229 2.053 0.767 0.940 1.000 0.600 CA 1.445 16 residues pruned to eliminate duplicates Z: 13 15.173 1.764 0.531 0.783 1.000 0.917 CA 1.264 12 residues pruned to eliminate duplicates Z: 6 6.252 1.752 0.194 0.688 0.800 0.600 CB 1.407 6 residues pruned to eliminate duplicates Z: 16 26.012 1.958 1.041 0.924 1.000 0.733 CB 1.180 16 residues pruned to eliminate duplicates Z: 9 14.318 1.992 0.297 0.897 1.000 0.875 CA 1.403 9 residues pruned to eliminate duplicates Z: 15 33.765 2.125 0.853 0.882 1.000 0.786 CA 1.658 15 residues pruned to eliminate duplicates Z: 11 20.693 2.166 0.594 0.809 0.900 0.600 CB 1.609 11 residues pruned to eliminate duplicates Z: 28 58.842 2.386 1.037 0.921 0.926 0.778 CA 1.771 28 residues pruned to eliminate duplicates Z: 15 33.322 2.227 0.954 0.924 1.000 0.929 CA 1.437 15 residues pruned to eliminate duplicates Z: 6 6.439 2.075 0.077 0.684 0.800 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 11 19.005 1.942 0.819 0.912 1.000 0.700 CB 1.205 11 residues pruned to eliminate duplicates Z: 37 39.024 2.034 0.641 0.723 0.972 0.694 CB 1.639 34 residues pruned to eliminate duplicates Z: 27 38.817 2.103 0.709 0.922 1.000 0.846 CA 1.490 27 residues pruned to eliminate duplicates Z: 18 29.630 2.065 0.842 0.902 1.000 0.882 CB 1.347 18 residues pruned to eliminate duplicates Z: 15 40.098 2.241 1.078 0.908 0.929 0.643 N 1.760 15 residues pruned to eliminate duplicates Z: 39 36.944 2.288 0.738 0.491 0.947 0.605 CB 1.604 39 residues pruned to eliminate duplicates Z: 10 14.538 1.789 0.418 0.851 1.000 0.556 CA 1.414 Z: 17 30.030 2.065 0.699 0.814 1.000 0.875 CA 1.628 17 residues pruned to eliminate duplicates Z: 30 27.685 2.066 0.544 0.657 0.966 0.724 CB 1.442 22 residues pruned to eliminate duplicates Z: 39 39.283 2.152 0.866 0.713 0.947 0.553 CB 1.381 37 residues pruned to eliminate duplicates Z: 10 13.207 1.915 0.431 0.846 0.889 0.667 CB 1.343 Z: 29 39.701 2.072 0.749 0.910 0.929 0.607 CA 1.582 29 residues pruned to eliminate duplicates Z: 15 44.951 2.241 1.168 0.939 1.000 0.857 N 1.719 15 residues pruned to eliminate duplicates Z: 11 17.415 2.191 0.581 0.846 0.900 0.600 CB 1.312 11 residues pruned to eliminate duplicates Z: 10 15.021 1.893 0.446 0.811 1.000 0.889 CB 1.396 10 residues pruned to eliminate duplicates Z: 17 20.907 2.071 0.795 0.823 0.938 0.500 CB 1.133 17 residues pruned to eliminate duplicates Z: 38 22.083 2.046 0.490 0.389 0.919 0.486 CB 1.459 38 residues pruned to eliminate duplicates Z: 9 13.345 1.913 0.357 0.748 1.000 0.875 CB 1.456 9 residues pruned to eliminate duplicates Z: 30 39.008 2.134 0.794 0.706 0.966 0.690 CB 1.625 29 residues pruned to eliminate duplicates Z: 16 24.352 2.226 0.562 0.915 1.000 0.933 CB 1.278 16 residues pruned to eliminate duplicates Z: 49 46.969 2.118 0.702 0.692 0.958 0.667 CB 1.646 49 residues pruned to eliminate duplicates Z: 10 20.490 2.198 0.534 0.854 0.889 0.778 CB 1.683 10 residues pruned to eliminate duplicates Z: 9 16.518 2.015 0.911 0.804 0.875 0.250 CB 1.329 9 residues pruned to eliminate duplicates Z: 28 39.568 2.075 0.647 0.918 1.000 0.815 CA 1.572 28 residues pruned to eliminate duplicates Z: 21 24.148 1.875 0.366 0.883 1.000 0.750 CB 1.525 21 residues pruned to eliminate duplicates Z: 10 16.051 1.977 0.551 0.792 0.889 0.778 CB 1.519 Z: 16 27.248 2.233 0.772 0.898 1.000 0.867 CB 1.272 16 residues pruned to eliminate duplicates Z: 16 37.807 2.202 1.064 0.924 0.933 0.400 CB 1.616 16 residues pruned to eliminate duplicates Z: 10 16.809 2.110 0.220 0.807 1.000 0.889 N 1.664 10 residues pruned to eliminate duplicates Z: 15 39.166 2.251 0.872 0.936 1.000 1.000 CA 1.729 15 residues pruned to eliminate duplicates Z: 17 31.052 1.987 0.788 0.904 1.000 0.688 CB 1.557 17 residues pruned to eliminate duplicates Z: 11 20.652 2.149 0.503 0.742 1.000 0.700 CA 1.627 11 residues pruned to eliminate duplicates Z: 15 16.935 1.674 0.667 0.890 1.000 0.929 CB 1.166 10 residues pruned to eliminate duplicates Z: 11 17.209 1.974 0.470 0.877 1.000 1.000 CB 1.362 11 residues pruned to eliminate duplicates Z: 8 12.000 1.846 0.409 0.802 1.000 0.429 CB 1.340 8 residues pruned to eliminate duplicates Z: 28 42.375 2.089 0.798 0.930 0.963 0.704 CA 1.577 28 residues pruned to eliminate duplicates Z: 28 64.662 2.380 1.121 0.932 0.963 0.444 CB 1.788 28 residues pruned to eliminate duplicates Z: 12 16.562 1.914 0.496 0.755 0.909 0.818 CB 1.528 12 residues pruned to eliminate duplicates Z: 29 46.792 2.104 0.904 0.905 0.964 0.679 CB 1.629 29 residues pruned to eliminate duplicates Z: 29 42.338 2.079 0.726 0.909 0.964 0.536 CA 1.641 29 residues pruned to eliminate duplicates Z: 11 28.857 2.229 1.076 0.931 1.000 1.000 CB 1.378 11 residues pruned to eliminate duplicates Z: 69 38.860 2.129 0.675 0.516 0.926 0.574 CB 1.404 69 residues pruned to eliminate duplicates Z: 13 17.828 1.692 0.951 0.824 1.000 0.833 CB 1.178 13 residues pruned to eliminate duplicates Z: 16 22.431 1.948 0.820 0.911 1.000 0.933 CB 1.159 16 residues pruned to eliminate duplicates Z: 42 19.051 1.938 0.548 0.345 0.805 0.366 CB 1.459 42 residues pruned to eliminate duplicates Z: 18 27.107 1.972 0.707 0.784 0.941 0.765 CA 1.617 18 residues pruned to eliminate duplicates Z: 8 18.186 2.279 0.438 0.831 1.000 0.857 CA 1.576 8 residues pruned to eliminate duplicates Z: 27 56.730 2.409 0.884 0.928 1.000 0.615 CA 1.718 27 residues pruned to eliminate duplicates Z: 30 30.321 2.093 0.572 0.682 1.000 0.655 CB 1.448 29 residues pruned to eliminate duplicates Z: 11 21.410 1.984 0.593 0.925 1.000 1.000 CA 1.503 11 residues pruned to eliminate duplicates Z: 15 33.071 2.034 1.016 0.931 1.000 0.929 N 1.507 15 residues pruned to eliminate duplicates Z: 17 22.677 1.950 0.523 0.932 1.000 0.938 CA 1.334 17 residues pruned to eliminate duplicates Z: 11 16.338 1.960 0.561 0.874 1.000 0.900 CB 1.228 11 residues pruned to eliminate duplicates Z: 14 49.512 2.378 1.145 0.940 1.000 0.846 CA 1.870 14 residues pruned to eliminate duplicates Z: 14 42.880 2.435 1.225 0.896 1.000 0.538 CB 1.573 14 residues pruned to eliminate duplicates Z: 11 20.225 1.879 0.681 0.898 1.000 1.000 CA 1.449 9 residues pruned to eliminate duplicates Z: 42 29.127 2.232 0.601 0.418 0.902 0.439 CB 1.537 42 residues pruned to eliminate duplicates Z: 22 25.736 1.809 0.695 0.914 0.952 0.810 CB 1.360 23 residues pruned to eliminate duplicates Z: 9 8.193 1.817 0.488 0.860 1.000 0.500 CB 0.788 9 residues pruned to eliminate duplicates Z: 28 40.719 2.104 0.684 0.949 0.963 0.741 CA 1.585 28 residues pruned to eliminate duplicates Z: 13 15.655 1.764 0.600 0.828 0.917 0.833 CB 1.315 13 residues pruned to eliminate duplicates Z: 9 17.188 1.914 0.580 0.827 1.000 0.875 N 1.514 9 residues pruned to eliminate duplicates Z: 32 39.269 2.001 0.696 0.866 0.968 0.742 CA 1.573 32 residues pruned to eliminate duplicates Z: 30 17.785 2.070 0.688 0.381 0.793 0.552 CB 1.352 30 residues pruned to eliminate duplicates Z: 69 46.809 2.189 0.747 0.556 0.926 0.559 CB 1.517 69 residues pruned to eliminate duplicates Z: 17 23.309 1.956 0.360 0.938 1.000 1.000 CB 1.523 17 residues pruned to eliminate duplicates Z: 15 10.075 1.798 0.440 0.532 1.000 0.643 CB 1.008 3 residues pruned to eliminate duplicates Z: 15 19.539 2.041 0.853 0.685 0.857 0.571 CB 1.359 15 residues pruned to eliminate duplicates Z: 9 18.444 1.979 0.820 0.884 0.875 0.875 CB 1.495 9 residues pruned to eliminate duplicates Z: 11 16.715 1.869 0.715 0.852 0.900 0.900 CB 1.354 10 residues pruned to eliminate duplicates Z: 19 29.065 1.906 0.708 0.832 1.000 0.722 CB 1.579 19 residues pruned to eliminate duplicates Z: 60 53.673 2.172 0.911 0.676 0.864 0.559 CA 1.656 60 residues pruned to eliminate duplicates Z: 11 18.098 1.978 0.820 0.665 0.900 0.500 CA 1.516 10 residues pruned to eliminate duplicates Z: 27 61.349 2.412 1.208 0.945 0.885 0.231 CB 1.767 27 residues pruned to eliminate duplicates Z: 20 31.125 1.944 0.717 0.916 1.000 0.737 CB 1.510 20 residues pruned to eliminate duplicates Z: 20 24.880 1.868 0.387 0.929 1.000 0.842 CB 1.542 20 residues pruned to eliminate duplicates Z: 12 6.898 1.713 0.277 0.323 0.909 0.364 CB 1.271 12 residues pruned to eliminate duplicates Z: 12 7.461 1.559 0.674 0.472 0.818 0.636 CB 1.084 Z: 24 15.571 1.896 0.546 0.482 0.826 0.348 CB 1.365 24 residues pruned to eliminate duplicates Z: 11 12.169 1.558 0.525 0.874 1.000 0.600 CB 1.178 Z: 19 12.828 1.905 0.454 0.513 0.778 0.611 CB 1.385 11 residues pruned to eliminate duplicates Z: 9 15.271 1.942 0.590 0.888 0.875 0.625 CB 1.440 9 residues pruned to eliminate duplicates Z: 12 8.615 2.053 0.291 0.310 0.909 0.545 CB 1.331 Z: 15 17.199 2.035 0.515 0.588 0.857 0.571 CA 1.599 15 residues pruned to eliminate duplicates Z: 13 15.378 1.817 0.327 0.828 1.000 0.917 CB 1.386 13 residues pruned to eliminate duplicates Z: 64 41.384 2.162 0.750 0.482 0.889 0.587 CB 1.578 64 residues pruned to eliminate duplicates Z: 9 28.545 2.310 0.834 0.911 1.000 0.625 CB 1.688 9 residues pruned to eliminate duplicates Z: 17 23.437 1.964 0.676 0.884 0.938 0.750 CA 1.372 17 residues pruned to eliminate duplicates Z: 29 45.517 2.107 0.843 0.885 0.964 0.429 CB 1.659 29 residues pruned to eliminate duplicates Z: 45 70.357 2.270 1.035 0.855 0.932 0.523 CB 1.818 45 residues pruned to eliminate duplicates Z: 9 11.732 1.633 0.859 0.860 0.875 0.750 CB 1.148 9 residues pruned to eliminate duplicates Z: 15 17.094 1.900 0.926 0.697 0.857 0.714 CB 1.217 15 residues pruned to eliminate duplicates Z: 18 32.927 1.963 0.984 0.816 1.000 0.647 CA 1.558 18 residues pruned to eliminate duplicates Z: 9 12.873 1.836 0.674 0.807 1.000 0.750 CB 1.133 9 residues pruned to eliminate duplicates Z: 28 57.193 2.397 0.893 0.910 0.963 0.704 CA 1.787 28 residues pruned to eliminate duplicates Z: 25 17.633 2.101 0.426 0.526 0.833 0.625 CB 1.405 25 residues pruned to eliminate duplicates Z: 6 8.394 1.751 0.424 0.628 1.000 0.600 N 1.334 6 residues pruned to eliminate duplicates Z: 13 15.606 1.807 0.365 0.856 1.000 0.833 CB 1.346 13 residues pruned to eliminate duplicates Z: 9 11.712 2.123 0.578 0.428 1.000 0.750 CB 1.332 9 residues pruned to eliminate duplicates Z: 53 43.318 2.250 0.711 0.563 0.923 0.615 CB 1.591 53 residues pruned to eliminate duplicates Z: 8 15.116 1.960 0.419 0.839 1.000 0.571 CA 1.534 8 residues pruned to eliminate duplicates Z: 10 19.440 1.974 0.557 0.897 1.000 0.889 CB 1.509 10 residues pruned to eliminate duplicates Z: 17 12.633 2.089 0.455 0.325 0.875 0.500 CB 1.439 12 residues pruned to eliminate duplicates Z: 11 13.860 1.949 0.694 0.681 1.000 0.800 CB 1.124 12 residues pruned to eliminate duplicates Z: 52 31.530 2.136 0.623 0.441 0.922 0.510 CB 1.468 52 residues pruned to eliminate duplicates Z: 6 6.136 1.889 0.272 0.455 1.000 0.600 CA 1.196 7 residues pruned to eliminate duplicates Z: 18 25.894 2.096 0.552 0.917 0.941 0.941 CB 1.447 18 residues pruned to eliminate duplicates Z: 12 19.629 1.872 0.652 0.904 1.000 0.818 CB 1.364 12 residues pruned to eliminate duplicates Z: 16 33.769 2.052 0.911 0.820 1.000 0.800 CA 1.685 16 residues pruned to eliminate duplicates Z: 27 39.974 2.098 0.731 0.938 0.962 0.846 CA 1.561 27 residues pruned to eliminate duplicates Z: 12 14.989 1.786 0.202 0.929 1.000 0.818 CB 1.474 Z: 15 32.580 2.112 1.004 0.877 0.929 0.786 CA 1.609 15 residues pruned to eliminate duplicates Z: 46 36.731 2.257 0.625 0.466 0.911 0.644 CA 1.697 46 residues pruned to eliminate duplicates Z: 27 36.820 2.072 0.952 0.923 0.769 0.269 CB 1.631 27 residues pruned to eliminate duplicates Z: 10 12.579 1.988 0.322 0.668 0.889 0.667 CA 1.537 10 residues pruned to eliminate duplicates Z: 61 65.362 2.255 0.894 0.755 0.967 0.600 CB 1.629 61 residues pruned to eliminate duplicates Z: 6 7.853 2.033 0.624 0.780 0.600 0.400 CB 1.385 6 residues pruned to eliminate duplicates Z: 13 15.908 1.744 0.398 0.897 0.917 0.500 CA 1.471 13 residues pruned to eliminate duplicates Z: 38 19.698 2.021 0.488 0.389 0.838 0.486 CB 1.445 38 residues pruned to eliminate duplicates Z: 32 27.165 2.001 0.771 0.667 0.871 0.613 CB 1.354 32 residues pruned to eliminate duplicates Z: 27 39.377 2.122 0.728 0.938 0.962 0.615 CA 1.524 27 residues pruned to eliminate duplicates Z: 16 26.866 2.168 0.732 0.909 1.000 0.933 CB 1.311 16 residues pruned to eliminate duplicates Z: 18 30.143 1.951 0.761 0.839 0.941 0.824 CA 1.690 18 residues pruned to eliminate duplicates Z: 13 14.934 1.757 0.409 0.894 1.000 0.917 CB 1.249 13 residues pruned to eliminate duplicates Z: 20 23.924 1.884 0.521 0.880 0.947 0.684 CB 1.465 20 residues pruned to eliminate duplicates Z: 17 28.634 2.121 0.637 0.919 1.000 0.812 CB 1.453 17 residues pruned to eliminate duplicates Z: 16 9.661 1.542 0.992 0.449 0.800 0.533 CB 1.070 Z: 44 29.238 2.008 0.653 0.625 0.884 0.558 CB 1.350 44 residues pruned to eliminate duplicates Z: 41 28.877 2.035 0.803 0.547 0.825 0.550 CB 1.440 41 residues pruned to eliminate duplicates Z: 10 9.586 1.705 0.359 0.872 0.889 0.667 CB 1.131 10 residues pruned to eliminate duplicates Z: 15 19.582 1.977 0.459 0.915 1.000 0.929 CB 1.283 15 residues pruned to eliminate duplicates Z: 15 12.325 1.611 0.358 0.790 0.929 0.786 CB 1.257 15 residues pruned to eliminate duplicates Z: 59 56.138 2.247 0.831 0.699 0.931 0.586 CA 1.606 60 residues pruned to eliminate duplicates Z: 8 8.911 1.682 0.793 0.565 0.857 0.429 CA 1.224 8 residues pruned to eliminate duplicates Z: 7 5.219 1.989 0.401 0.364 0.667 0.333 CB 1.328 Z: 13 8.420 1.945 0.369 0.302 0.917 0.583 CB 1.242 10 residues pruned to eliminate duplicates Z: 11 9.683 1.721 0.218 0.482 1.000 0.700 CB 1.488 10 residues pruned to eliminate duplicates Z: 16 18.807 1.962 0.458 0.912 1.000 0.733 CB 1.201 16 residues pruned to eliminate duplicates Z: 8 7.066 1.940 0.216 0.776 0.857 0.429 CB 1.036 8 residues pruned to eliminate duplicates Z: 13 38.559 2.389 0.993 0.917 1.000 0.667 CA 1.650 13 residues pruned to eliminate duplicates Z: 16 30.230 1.997 0.961 0.915 1.000 0.600 CA 1.408 16 residues pruned to eliminate duplicates Z: 16 26.018 2.011 0.823 0.921 1.000 0.867 CB 1.289 16 residues pruned to eliminate duplicates Z: 17 15.162 1.576 0.691 0.931 0.938 0.812 CB 1.060 Z: 9 17.359 2.003 0.499 0.884 1.000 1.000 CA 1.477 9 residues pruned to eliminate duplicates Z: 14 13.406 1.848 0.298 0.870 0.923 0.769 CB 1.226 14 residues pruned to eliminate duplicates Z: 13 14.487 1.668 0.279 0.875 1.000 0.583 O 1.426 13 residues pruned to eliminate duplicates Z: 17 26.164 2.093 0.829 0.905 0.938 0.562 CB 1.297 17 residues pruned to eliminate duplicates Z: 33 36.605 2.148 0.683 0.666 0.906 0.656 CB 1.694 33 residues pruned to eliminate duplicates Z: 12 11.980 1.787 0.406 0.808 0.909 0.818 CB 1.209 12 residues pruned to eliminate duplicates Z: 13 17.209 1.949 0.181 0.922 1.000 1.000 CA 1.518 13 residues pruned to eliminate duplicates Z: 9 14.296 1.888 0.434 0.840 1.000 0.500 CB 1.393 9 residues pruned to eliminate duplicates Z: 10 8.809 1.905 0.430 0.389 0.889 0.778 CB 1.364 Z: 12 19.598 1.802 0.875 0.871 1.000 0.909 N 1.276 12 residues pruned to eliminate duplicates Z: 22 16.587 1.923 0.692 0.585 0.810 0.429 CB 1.266 24 residues pruned to eliminate duplicates Z: 11 20.272 2.067 0.407 0.882 1.000 0.900 CB 1.595 11 residues pruned to eliminate duplicates Z: 22 16.032 1.851 0.406 0.651 0.857 0.619 CB 1.363 21 residues pruned to eliminate duplicates Z: 15 27.398 1.989 0.796 0.853 1.000 0.857 N 1.515 15 residues pruned to eliminate duplicates Z: 13 16.980 1.891 0.386 0.894 1.000 0.833 CB 1.342 13 residues pruned to eliminate duplicates Z: 37 22.267 1.979 0.473 0.567 0.917 0.500 CB 1.301 24 residues pruned to eliminate duplicates Z: 28 38.987 2.080 0.769 0.937 0.963 0.593 CA 1.474 28 residues pruned to eliminate duplicates Z: 62 27.399 1.949 0.651 0.556 0.885 0.492 CB 1.166 67 residues pruned to eliminate duplicates Z: 17 24.915 2.144 0.649 0.904 1.000 0.812 CB 1.255 17 residues pruned to eliminate duplicates Z: 18 34.260 2.071 1.036 0.910 1.000 0.706 CB 1.397 18 residues pruned to eliminate duplicates Z: 16 21.428 2.120 0.652 0.577 0.933 0.733 CA 1.572 16 residues pruned to eliminate duplicates Z: 25 60.333 2.446 1.083 0.955 0.958 0.958 CA 1.733 25 residues pruned to eliminate duplicates Z: 13 12.842 1.698 0.173 0.893 0.917 0.917 CA 1.457 13 residues pruned to eliminate duplicates Z: 58 35.142 2.156 0.617 0.513 0.912 0.526 CB 1.444 58 residues pruned to eliminate duplicates Z: 16 24.601 2.042 0.593 0.904 0.933 0.667 CA 1.490 16 residues pruned to eliminate duplicates Z: 21 13.243 1.884 0.438 0.391 0.750 0.550 CB 1.635 9 residues pruned to eliminate duplicates Z: 15 36.660 2.063 1.119 0.890 1.000 0.571 CA 1.612 15 residues pruned to eliminate duplicates Z: 15 22.077 1.874 0.794 0.885 0.929 0.500 CA 1.364 15 residues pruned to eliminate duplicates Z: 16 20.752 2.213 0.696 0.763 0.800 0.400 CB 1.412 16 residues pruned to eliminate duplicates Z: 13 16.285 1.712 0.413 0.865 1.000 0.667 CA 1.424 13 residues pruned to eliminate duplicates Z: 19 17.619 1.809 0.301 0.826 0.944 0.667 CA 1.409 19 residues pruned to eliminate duplicates Z: 12 11.034 1.781 0.279 0.840 0.909 0.818 CB 1.199 12 residues pruned to eliminate duplicates Z: 47 45.445 2.162 0.701 0.696 0.935 0.717 CB 1.630 47 residues pruned to eliminate duplicates Z: 11 8.698 1.900 0.401 0.430 1.000 0.600 CB 1.111 11 residues pruned to eliminate duplicates Z: 29 40.800 2.157 0.933 0.696 0.964 0.679 CB 1.603 31 residues pruned to eliminate duplicates Z: 10 13.015 1.880 0.638 0.761 0.778 0.667 CB 1.436 10 residues pruned to eliminate duplicates Z: 9 8.964 1.932 0.487 0.458 1.000 0.375 CB 1.151 9 residues pruned to eliminate duplicates Z: 16 29.472 2.140 0.800 0.903 0.933 0.800 CA 1.509 16 residues pruned to eliminate duplicates Z: 27 46.061 2.146 0.780 0.952 1.000 0.462 CA 1.628 28 residues pruned to eliminate duplicates Z: 12 13.324 1.732 0.182 0.907 1.000 0.818 CB 1.395 12 residues pruned to eliminate duplicates Z: 27 17.192 1.941 0.611 0.523 0.846 0.654 CB 1.246 27 residues pruned to eliminate duplicates Z: 6 22.161 2.383 0.683 0.895 1.000 1.000 CA 1.771 6 residues pruned to eliminate duplicates Z: 6 4.007 1.837 0.033 0.255 1.000 0.400 CB 1.251 Z: 12 13.039 1.488 0.480 0.893 1.000 0.727 CA 1.281 11 residues pruned to eliminate duplicates Z: 20 28.245 1.847 0.741 0.912 0.947 0.737 CB 1.507 20 residues pruned to eliminate duplicates Z: 22 26.088 1.839 0.791 0.876 0.952 0.667 CB 1.319 22 residues pruned to eliminate duplicates Z: 104 69.477 2.143 0.919 0.676 0.913 0.515 CB 1.551 99 residues pruned to eliminate duplicates Z: 10 12.178 2.083 0.387 0.586 0.889 0.333 CB 1.456 10 residues pruned to eliminate duplicates Z: 14 15.898 1.806 0.518 0.880 1.000 0.692 CB 1.166 14 residues pruned to eliminate duplicates Z: 17 25.441 1.991 0.740 0.821 0.812 0.688 CA 1.710 17 residues pruned to eliminate duplicates Z: 18 29.496 1.992 0.808 0.750 0.941 0.706 CA 1.689 18 residues pruned to eliminate duplicates Z: 6 7.483 1.677 0.229 0.718 1.000 1.000 CA 1.333 6 residues pruned to eliminate duplicates Z: 18 27.266 2.012 0.670 0.777 0.941 0.765 CA 1.637 18 residues pruned to eliminate duplicates Z: 16 25.421 2.044 0.610 0.913 1.000 0.867 CA 1.412 16 residues pruned to eliminate duplicates Z: 43 21.460 1.878 0.546 0.550 0.881 0.476 CB 1.234 43 residues pruned to eliminate duplicates Z: 11 8.566 1.508 0.621 0.847 0.800 0.400 CB 1.028 11 residues pruned to eliminate duplicates Z: 6 3.924 1.509 0.755 0.297 0.800 0.600 CA 1.040 Z: 11 13.646 1.685 0.712 0.670 1.000 0.600 CB 1.279 11 residues pruned to eliminate duplicates Z: 8 12.069 1.947 0.552 0.738 0.857 0.429 CB 1.423 8 residues pruned to eliminate duplicates Z: 45 33.410 2.081 0.655 0.603 0.886 0.659 CB 1.495 45 residues pruned to eliminate duplicates Z: 10 14.405 1.596 0.578 0.896 1.000 0.778 CB 1.366 10 residues pruned to eliminate duplicates Z: 13 15.972 1.842 0.768 0.790 0.833 0.750 CA 1.317 13 residues pruned to eliminate duplicates Z: 6 9.237 1.580 0.488 0.887 1.000 1.000 CA 1.266 6 residues pruned to eliminate duplicates Z: 15 32.380 2.091 0.837 0.859 1.000 0.857 CA 1.658 15 residues pruned to eliminate duplicates Z: 43 40.622 1.906 0.716 0.846 0.929 0.524 CB 1.533 43 residues pruned to eliminate duplicates Z: 10 6.297 1.806 0.357 0.551 0.889 0.444 CB 0.916 Z: 10 13.323 1.764 0.537 0.846 0.889 0.778 CB 1.369 10 residues pruned to eliminate duplicates Z: 13 31.706 2.237 0.722 0.881 1.000 0.750 CA 1.721 13 residues pruned to eliminate duplicates Z: 52 41.654 2.111 0.571 0.671 0.961 0.765 CB 1.563 52 residues pruned to eliminate duplicates Z: 16 36.283 2.016 1.172 0.881 1.000 0.800 N 1.550 16 residues pruned to eliminate duplicates Z: 15 30.241 2.087 0.822 0.901 0.929 0.571 CA 1.634 15 residues pruned to eliminate duplicates Z: 15 23.926 2.014 0.671 0.937 1.000 1.000 CB 1.323 15 residues pruned to eliminate duplicates Z: 11 14.782 1.806 0.471 0.844 1.000 0.800 CB 1.310 11 residues pruned to eliminate duplicates Z: 14 11.598 1.626 0.528 0.789 1.000 0.538 CA 1.005 14 residues pruned to eliminate duplicates Z: 16 33.814 2.051 0.962 0.927 1.000 0.800 CA 1.521 16 residues pruned to eliminate duplicates Z: 10 16.447 2.206 0.334 0.799 1.000 1.000 CA 1.435 10 residues pruned to eliminate duplicates Z: 10 19.993 1.854 0.818 0.875 1.000 0.667 CA 1.439 10 residues pruned to eliminate duplicates Z: 21 24.867 1.895 0.332 0.924 1.000 0.850 CB 1.547 21 residues pruned to eliminate duplicates Z: 11 5.651 1.584 0.139 0.630 1.000 0.500 CB 0.877 11 residues pruned to eliminate duplicates Z: 9 3.510 1.529 0.220 0.256 0.750 0.250 O 1.174 Z: 8 15.485 2.095 0.372 0.914 1.000 1.000 CB 1.440 8 residues pruned to eliminate duplicates Z: 26 48.561 2.139 0.900 0.949 1.000 0.640 CA 1.650 26 residues pruned to eliminate duplicates Z: 6 4.749 1.459 0.519 0.810 1.000 0.800 CA 0.731 6 residues pruned to eliminate duplicates Z: 6 4.152 1.457 0.423 0.599 0.800 0.600 CB 1.018 6 residues pruned to eliminate duplicates Z: 16 21.124 2.087 0.766 0.550 0.867 0.200 CA 1.627 16 residues pruned to eliminate duplicates Z: 8 2.063 1.503 0.437 0.214 0.571 0.286 CB 0.885 Z: 73 32.016 2.097 0.586 0.471 0.792 0.514 CB 1.477 80 residues pruned to eliminate duplicates Z: 28 42.669 2.055 0.799 0.918 1.000 0.704 CA 1.566 28 residues pruned to eliminate duplicates Z: 14 15.863 1.778 0.456 0.864 1.000 0.846 CB 1.245 14 residues pruned to eliminate duplicates Z: 28 66.038 2.417 1.115 0.916 0.963 0.407 CB 1.823 28 residues pruned to eliminate duplicates Z: 7 5.359 1.747 0.539 0.625 0.833 0.667 CB 0.868 Z: 19 13.322 1.790 0.241 0.673 0.944 0.722 CB 1.276 20 residues pruned to eliminate duplicates Z: 17 8.772 1.704 0.264 0.502 0.875 0.625 CB 1.161 17 residues pruned to eliminate duplicates Z: 27 45.200 2.140 0.810 0.930 0.962 0.538 CA 1.665 27 residues pruned to eliminate duplicates Z: 10 8.005 1.917 0.544 0.479 0.667 0.667 CA 1.382 10 residues pruned to eliminate duplicates Z: 42 31.918 2.017 0.743 0.669 0.902 0.707 CB 1.344 42 residues pruned to eliminate duplicates Z: 6 3.663 1.467 0.577 0.519 0.800 0.600 N 0.869 Z: 12 6.242 1.528 0.133 0.640 0.909 0.545 CB 1.048 12 residues pruned to eliminate duplicates Z: 11 18.445 1.955 0.838 0.898 1.000 0.500 CB 1.161 11 residues pruned to eliminate duplicates Z: 9 14.193 1.916 0.508 0.853 0.875 0.875 CB 1.468 9 residues pruned to eliminate duplicates Z: 60 36.887 2.082 0.429 0.623 0.966 0.729 CB 1.487 60 residues pruned to eliminate duplicates Z: 7 4.316 1.614 0.280 0.830 0.833 0.500 CB 0.770 Z: 45 25.808 1.913 0.535 0.585 0.955 0.523 CB 1.280 45 residues pruned to eliminate duplicates Z: 9 16.136 1.953 0.551 0.875 1.000 0.625 CB 1.370 9 residues pruned to eliminate duplicates Z: 31 30.041 2.041 0.671 0.622 0.933 0.667 CA 1.535 31 residues pruned to eliminate duplicates Z: 19 27.253 1.874 0.864 0.765 1.000 0.667 CA 1.453 19 residues pruned to eliminate duplicates Z: 7 5.504 1.389 0.464 0.816 0.833 0.667 N 1.007 15 residues pruned to eliminate duplicates Z: 42 71.461 2.378 1.109 0.820 0.976 0.732 CA 1.728 42 residues pruned to eliminate duplicates Z: 13 12.342 1.656 0.110 0.895 1.000 1.000 CB 1.390 13 residues pruned to eliminate duplicates Z: 18 14.273 2.069 0.163 0.520 0.941 0.529 CB 1.498 18 residues pruned to eliminate duplicates Z: 38 26.757 1.994 0.388 0.586 0.946 0.541 CB 1.548 38 residues pruned to eliminate duplicates Z: 10 15.473 1.911 0.637 0.883 0.889 0.556 CB 1.341 10 residues pruned to eliminate duplicates Z: 15 5.169 1.640 0.259 0.389 0.714 0.357 CB 1.053 Z: 18 37.486 2.184 0.998 0.780 1.000 0.824 CA 1.628 57 residues pruned to eliminate duplicates Z: 7 4.720 1.393 0.064 0.744 1.000 1.000 CB 1.045 Z: 6 7.843 1.923 0.763 0.742 1.000 0.600 CB 0.833 Z: 41 34.695 2.144 0.668 0.644 0.925 0.675 CB 1.450 41 residues pruned to eliminate duplicates Z: 43 20.693 1.902 0.459 0.548 0.905 0.429 CB 1.214 43 residues pruned to eliminate duplicates Z: 9 3.780 1.847 -0.008 0.339 0.875 0.750 CB 0.994 21 residues pruned to eliminate duplicates Z: 16 18.689 2.166 0.142 0.923 1.000 0.933 CB 1.371 16 residues pruned to eliminate duplicates Z: 45 31.649 2.074 0.715 0.498 0.886 0.568 CB 1.515 45 residues pruned to eliminate duplicates Z: 20 12.583 1.447 0.440 0.900 0.947 0.789 CB 1.045 20 residues pruned to eliminate duplicates Z: 7 7.040 1.661 0.511 0.718 0.833 0.833 CB 1.129 Z: 16 29.055 2.049 0.835 0.915 1.000 0.867 CA 1.410 16 residues pruned to eliminate duplicates Z: 47 64.027 2.293 0.986 0.770 0.935 0.674 CA 1.746 47 residues pruned to eliminate duplicates Z: 25 29.022 1.937 0.903 0.681 0.917 0.625 CA 1.484 25 residues pruned to eliminate duplicates Z: 16 21.116 1.957 0.673 0.902 1.000 0.933 CB 1.188 16 residues pruned to eliminate duplicates Z: 15 18.374 1.874 0.670 0.734 0.929 0.643 CB 1.369 15 residues pruned to eliminate duplicates Z: 18 28.533 1.957 0.743 0.800 0.941 0.647 CA 1.658 18 residues pruned to eliminate duplicates Z: 27 61.171 2.429 1.049 0.923 0.962 0.692 CA 1.762 27 residues pruned to eliminate duplicates Z: 11 18.721 1.840 1.105 0.877 0.900 0.200 CB 1.233 11 residues pruned to eliminate duplicates Z: 16 26.349 2.065 0.699 0.907 1.000 0.867 CA 1.378 16 residues pruned to eliminate duplicates Z: 12 23.276 1.940 0.972 0.855 1.000 0.818 CB 1.354 12 residues pruned to eliminate duplicates Z: 30 42.904 2.046 0.829 0.893 0.931 0.517 CA 1.642 30 residues pruned to eliminate duplicates Z: 17 28.361 2.099 1.131 0.902 0.938 0.562 CB 1.206 17 residues pruned to eliminate duplicates Z: 16 33.396 2.004 0.989 0.834 1.000 0.867 CA 1.623 14 residues pruned to eliminate duplicates Z: 23 45.620 2.118 0.861 0.939 1.000 0.409 CA 1.715 23 residues pruned to eliminate duplicates Z: 7 9.326 1.790 0.894 0.741 1.000 0.667 CB 0.905 Z: 37 65.835 2.353 1.121 0.804 1.000 0.583 CB 1.686 37 residues pruned to eliminate duplicates Z: 12 14.942 1.756 0.372 0.862 0.909 0.545 N 1.510 Z: 39 18.757 1.988 0.566 0.416 0.816 0.632 CB 1.308 39 residues pruned to eliminate duplicates Z: 6 10.220 1.902 0.691 0.699 1.000 0.800 CB 1.185 Z: 17 23.481 2.008 0.507 0.851 0.938 0.812 CA 1.532 17 residues pruned to eliminate duplicates Z: 15 32.031 2.449 0.863 0.746 0.929 0.786 CA 1.622 15 residues pruned to eliminate duplicates Z: 12 17.130 1.783 0.398 0.913 1.000 0.545 CB 1.466 12 residues pruned to eliminate duplicates Z: 8 10.186 1.835 0.331 0.833 1.000 0.857 CB 1.182 8 residues pruned to eliminate duplicates Z: 11 16.033 1.876 0.583 0.893 1.000 0.800 CB 1.226 11 residues pruned to eliminate duplicates Z: 28 25.981 2.189 0.680 0.440 0.963 0.519 CB 1.502 28 residues pruned to eliminate duplicates Z: 16 27.134 2.220 0.696 0.931 1.000 0.867 CB 1.300 16 residues pruned to eliminate duplicates Z: 15 32.006 2.054 0.986 0.866 0.929 0.786 N 1.654 15 residues pruned to eliminate duplicates Z: 12 13.902 2.112 0.377 0.812 0.818 0.545 CB 1.343 12 residues pruned to eliminate duplicates Z: 13 12.124 1.520 0.453 0.883 0.917 0.583 CB 1.250 13 residues pruned to eliminate duplicates Z: 9 15.162 1.943 0.384 0.771 1.000 0.875 CA 1.569 9 residues pruned to eliminate duplicates Z: 12 21.437 1.861 0.882 0.854 1.000 0.818 CB 1.363 12 residues pruned to eliminate duplicates 8 1.598 1.464 0.138 0.214 0.571 0.429 CB 0.888 ? Z: 6 3.331 1.693 0.234 0.421 0.800 0.800 CA 0.967 Z: 12 22.386 1.887 0.786 0.927 1.000 1.000 CB 1.404 12 residues pruned to eliminate duplicates Z: 9 2.190 1.464 0.605 0.203 0.500 0.500 CB 0.938 9 residues pruned to eliminate duplicates Z: 6 4.849 1.561 0.485 0.472 1.000 0.600 CB 0.962 Z: 16 25.817 2.049 0.630 0.945 1.000 0.933 CA 1.382 16 residues pruned to eliminate duplicates Z: 101 41.743 2.058 0.569 0.519 0.900 0.530 CB 1.410 101 residues pruned to eliminate duplicates Z: 8 4.895 1.441 0.149 0.724 0.857 0.429 N 1.065 8 1.892 1.760 0.387 0.244 0.857 0.429 CB 0.459 ? Z: 6 3.487 1.697 0.378 0.316 0.800 0.400 CA 1.021 6 residues pruned to eliminate duplicates Z: 27 48.927 2.105 0.940 0.939 1.000 0.269 CA 1.632 27 residues pruned to eliminate duplicates Z: 45 42.584 1.925 0.783 0.844 0.909 0.545 CB 1.530 45 residues pruned to eliminate duplicates Z: 16 28.212 1.990 0.926 0.933 0.933 0.667 CA 1.421 16 residues pruned to eliminate duplicates Z: 12 11.399 1.624 0.327 0.913 1.000 0.909 CB 1.128 12 residues pruned to eliminate duplicates Z: 15 18.621 1.925 0.679 0.878 0.929 0.857 CB 1.203 15 residues pruned to eliminate duplicates Z: 12 16.447 1.939 0.651 0.807 1.000 0.455 CB 1.185 12 residues pruned to eliminate duplicates Z: 6 2.488 1.428 0.711 0.643 0.800 0.800 CB 0.498 Z: 15 18.693 1.973 0.498 0.894 1.000 0.857 CB 1.212 15 residues pruned to eliminate duplicates Z: 6 4.216 1.659 1.016 0.412 0.600 0.600 CB 1.030 Z: 6 2.609 1.401 0.310 0.348 0.800 0.400 CB 0.937 Z: 9 11.180 1.842 0.130 0.859 1.000 0.875 CA 1.398 9 residues pruned to eliminate duplicates Z: 6 2.982 1.538 0.275 0.294 0.800 0.400 O 1.070 Z: 6 2.287 1.484 0.301 0.437 0.800 0.400 CB 0.707 Z: 23 55.436 2.328 1.189 0.918 0.955 0.864 CA 1.713 23 residues pruned to eliminate duplicates Z: 41 35.217 2.066 0.699 0.673 0.925 0.575 CB 1.462 41 residues pruned to eliminate duplicates Z: 27 35.016 2.039 0.806 0.923 0.885 0.385 CB 1.481 27 residues pruned to eliminate duplicates 6 1.508 1.347 0.632 0.289 0.600 0.400 CB 0.648 ? Z: 63 36.177 2.045 0.646 0.523 0.903 0.565 CB 1.477 63 residues pruned to eliminate duplicates Z: 7 6.023 1.751 0.305 0.553 0.833 0.667 CA 1.227 8 residues pruned to eliminate duplicates Z: 7 15.719 2.100 0.669 0.870 1.000 1.000 CB 1.337 7 residues pruned to eliminate duplicates Z: 8 17.742 2.099 0.615 0.849 1.000 0.857 CA 1.467 8 residues pruned to eliminate duplicates Z: 45 28.505 2.043 0.792 0.481 0.818 0.364 CB 1.463 45 residues pruned to eliminate duplicates Z: 12 7.416 1.642 0.462 0.419 0.909 0.636 CB 1.116 12 residues pruned to eliminate duplicates Z: 35 19.024 2.043 0.493 0.400 0.853 0.529 CB 1.392 35 residues pruned to eliminate duplicates Z: 57 35.514 1.998 0.638 0.612 0.893 0.679 CB 1.461 57 residues pruned to eliminate duplicates Z: 12 21.222 1.954 0.738 0.900 1.000 0.727 CB 1.346 12 residues pruned to eliminate duplicates Z: 9 8.303 1.821 0.558 0.660 0.750 0.500 CB 1.189 9 residues pruned to eliminate duplicates Z: 32 16.998 2.036 0.468 0.368 0.871 0.516 CB 1.350 33 residues pruned to eliminate duplicates Z: 13 13.184 1.734 0.361 0.874 0.833 0.417 CB 1.408 13 residues pruned to eliminate duplicates Z: 26 62.105 2.397 1.129 0.917 0.960 0.440 CA 1.789 26 residues pruned to eliminate duplicates Z: 24 17.404 2.037 0.618 0.475 0.826 0.652 CB 1.368 24 residues pruned to eliminate duplicates Z: 15 9.649 1.467 0.352 0.891 1.000 0.714 CB 0.935 15 residues pruned to eliminate duplicates Z: 17 34.991 2.076 0.926 0.803 1.000 0.875 CA 1.679 17 residues pruned to eliminate duplicates Z: 12 2.814 1.379 0.803 0.504 0.818 0.455 CB 0.415 Z: 37 30.221 2.158 0.679 0.493 0.917 0.472 CB 1.528 37 residues pruned to eliminate duplicates Z: 9 5.117 1.610 0.374 0.386 0.750 0.500 CA 1.231 9 residues pruned to eliminate duplicates Z: 14 13.163 1.799 0.127 0.917 1.000 0.846 CA 1.271 14 residues pruned to eliminate duplicates Z: 12 14.221 1.811 0.495 0.732 1.000 0.636 CA 1.285 12 residues pruned to eliminate duplicates Z: 6 5.280 1.556 0.318 0.739 1.000 0.400 CB 0.929 6 residues pruned to eliminate duplicates Z: 12 7.390 1.721 0.497 0.569 0.727 0.545 CB 1.112 7 residues pruned to eliminate duplicates Z: 6 4.114 1.671 0.523 0.703 0.600 0.400 CB 1.002 6 residues pruned to eliminate duplicates Z: 15 15.361 1.992 0.348 0.627 1.000 0.714 CA 1.357 17 residues pruned to eliminate duplicates Z: 15 9.432 1.865 0.436 0.243 0.857 0.429 CA 1.478 15 residues pruned to eliminate duplicates Z: 29 22.619 1.933 0.793 0.629 0.857 0.607 CB 1.275 29 residues pruned to eliminate duplicates Z: 46 35.868 2.043 0.697 0.615 0.911 0.689 CB 1.518 48 residues pruned to eliminate duplicates Z: 41 56.639 2.323 0.972 0.754 0.900 0.575 CA 1.732 41 residues pruned to eliminate duplicates Z: 10 19.324 2.097 1.113 0.873 1.000 0.222 CB 1.059 10 residues pruned to eliminate duplicates Z: 40 34.496 2.275 0.619 0.469 0.949 0.667 CB 1.631 40 residues pruned to eliminate duplicates Z: 121 68.555 2.155 0.753 0.641 0.933 0.650 CB 1.556 125 residues pruned to eliminate duplicates Z: 11 10.685 1.513 0.541 0.903 1.000 0.500 CB 1.034 11 residues pruned to eliminate duplicates Z: 50 37.964 2.158 0.804 0.508 0.857 0.490 CB 1.612 50 residues pruned to eliminate duplicates Z: 48 49.692 2.116 0.828 0.708 0.957 0.830 CB 1.620 48 residues pruned to eliminate duplicates Z: 6 3.353 1.472 0.024 0.638 0.800 0.800 N 1.092 Z: 17 10.951 1.616 0.386 0.757 0.812 0.375 CB 1.197 17 residues pruned to eliminate duplicates Z: 19 20.454 1.802 0.464 0.908 0.944 0.833 CB 1.374 19 residues pruned to eliminate duplicates Z: 8 3.542 1.441 0.418 0.510 0.857 0.429 N 0.757 Z: 12 13.750 1.774 0.236 0.874 0.909 0.545 CA 1.514 11 residues pruned to eliminate duplicates Z: 6 6.249 2.169 0.330 0.709 0.800 0.400 CB 1.001 Z: 19 22.824 1.904 0.313 0.928 1.000 0.889 CB 1.507 19 residues pruned to eliminate duplicates Z: 15 11.914 1.592 0.409 0.828 0.929 0.857 CB 1.150 15 residues pruned to eliminate duplicates Z: 18 15.911 1.548 0.637 0.921 1.000 0.647 CB 1.072 18 residues pruned to eliminate duplicates Z: 9 7.084 1.535 0.551 0.795 0.750 0.625 CB 1.083 9 residues pruned to eliminate duplicates Z: 10 9.420 1.855 0.609 0.426 0.889 0.556 CA 1.278 10 residues pruned to eliminate duplicates Z: 10 7.964 1.502 0.235 0.892 1.000 0.778 CB 1.028 10 residues pruned to eliminate duplicates Z: 39 37.341 1.978 0.658 0.730 0.974 0.763 CA 1.542 39 residues pruned to eliminate duplicates Z: 13 15.576 1.720 0.388 0.879 0.917 0.500 CB 1.489 13 residues pruned to eliminate duplicates Z: 9 5.351 1.529 0.354 0.555 0.750 0.500 O 1.156 9 residues pruned to eliminate duplicates Z: 26 44.113 2.333 1.094 0.679 0.880 0.680 CA 1.740 26 residues pruned to eliminate duplicates Z: 15 11.405 1.685 0.692 0.521 0.857 0.643 CB 1.221 10 residues pruned to eliminate duplicates Z: 9 10.308 2.054 0.254 0.838 1.000 0.750 CB 1.057 9 residues pruned to eliminate duplicates 6 1.686 1.356 0.239 0.297 0.800 0.400 C 0.704 ? Z: 48 21.278 1.880 0.540 0.517 0.915 0.596 CB 1.152 48 residues pruned to eliminate duplicates Z: 57 33.468 2.082 0.698 0.461 0.857 0.554 CB 1.536 57 residues pruned to eliminate duplicates Z: 11 11.630 1.747 0.339 0.827 1.000 0.400 CB 1.185 11 residues pruned to eliminate duplicates Z: 6 8.158 1.777 0.580 0.447 1.000 0.600 CB 1.373 6 residues pruned to eliminate duplicates Z: 6 8.201 1.832 0.086 0.827 1.000 0.800 N 1.389 6 residues pruned to eliminate duplicates Z: 14 11.816 1.579 0.509 0.920 1.000 0.615 CB 0.969 14 residues pruned to eliminate duplicates Z: 20 18.261 1.960 0.637 0.653 0.789 0.316 CB 1.435 20 residues pruned to eliminate duplicates Z: 19 18.719 2.030 0.529 0.570 0.889 0.611 CA 1.495 19 residues pruned to eliminate duplicates Z: 18 15.275 1.519 0.595 0.927 1.000 0.765 CB 1.072 18 residues pruned to eliminate duplicates Z: 21 57.893 2.465 1.219 0.887 1.000 0.800 CA 1.705 21 residues pruned to eliminate duplicates Z: 17 22.381 2.076 0.549 0.879 0.938 0.812 CB 1.345 17 residues pruned to eliminate duplicates Z: 12 8.408 1.889 0.219 0.400 0.909 0.636 CA 1.345 12 residues pruned to eliminate duplicates Z: 74 41.463 2.123 0.715 0.527 0.836 0.507 CB 1.553 74 residues pruned to eliminate duplicates Z: 11 3.153 1.430 0.483 0.201 0.700 0.300 CB 0.958 6 residues pruned to eliminate duplicates Z: 8 3.555 1.668 0.378 0.284 0.571 0.286 CB 1.305 Z: 8 12.882 1.832 0.876 0.886 1.000 0.571 CB 1.022 8 residues pruned to eliminate duplicates Z: 23 10.395 1.949 0.188 0.297 0.864 0.455 CB 1.391 23 residues pruned to eliminate duplicates Z: 10 23.497 1.974 0.998 0.929 1.000 1.000 CB 1.390 10 residues pruned to eliminate duplicates Z: 13 15.541 1.750 0.774 0.799 1.000 0.500 CB 1.113 13 residues pruned to eliminate duplicates Z: 65 38.741 2.161 0.651 0.506 0.844 0.594 CB 1.599 65 residues pruned to eliminate duplicates Z: 6 3.824 1.187 0.213 0.834 1.000 0.800 CB 0.890 Z: 13 18.062 1.802 0.535 0.855 1.000 0.917 CB 1.391 13 residues pruned to eliminate duplicates Z: 14 32.964 2.182 0.959 0.885 1.000 0.769 CA 1.544 14 residues pruned to eliminate duplicates Z: 13 14.187 1.855 0.706 0.738 0.750 0.417 CB 1.394 13 residues pruned to eliminate duplicates Z: 6 3.464 1.688 0.355 0.610 0.600 0.600 CB 1.017 6 residues pruned to eliminate duplicates Z: 15 28.029 1.953 0.883 0.913 1.000 0.500 CA 1.442 15 residues pruned to eliminate duplicates Z: 49 67.633 2.300 1.033 0.768 0.958 0.438 CA 1.718 49 residues pruned to eliminate duplicates Z: 20 14.580 1.447 0.557 0.933 1.000 0.737 CB 1.036 20 residues pruned to eliminate duplicates Z: 6 3.552 1.544 0.235 0.254 1.000 0.400 CB 1.105 Z: 16 31.009 1.998 1.004 0.889 0.933 0.800 N 1.543 16 residues pruned to eliminate duplicates Z: 10 21.882 2.021 0.696 0.928 1.000 1.000 CB 1.490 10 residues pruned to eliminate duplicates Z: 17 38.896 2.107 1.228 0.902 1.000 0.500 CA 1.477 17 residues pruned to eliminate duplicates Z: 40 45.805 2.143 0.763 0.621 1.000 0.692 CA 1.732 40 residues pruned to eliminate duplicates Z: 6 3.728 1.467 0.196 0.648 1.000 0.600 CB 0.828 Z: 15 16.117 1.891 0.326 0.783 1.000 0.929 CA 1.340 15 residues pruned to eliminate duplicates Z: 44 43.860 2.109 0.789 0.686 0.953 0.698 CB 1.568 44 residues pruned to eliminate duplicates Z: 12 8.056 1.897 0.335 0.195 0.818 0.455 CA 1.687 12 residues pruned to eliminate duplicates Z: 40 50.519 2.211 0.942 0.715 0.923 0.538 CA 1.680 40 residues pruned to eliminate duplicates Z: 60 71.185 2.276 1.114 0.754 0.915 0.390 CB 1.678 60 residues pruned to eliminate duplicates Z: 14 11.792 1.596 0.602 0.815 0.923 0.615 CB 1.053 14 residues pruned to eliminate duplicates Z: 13 9.062 1.774 0.491 0.407 0.917 0.667 CB 1.190 13 residues pruned to eliminate duplicates Z: 6 4.403 1.470 0.193 0.467 1.000 0.400 O 1.161 Z: 37 27.172 1.856 0.772 0.558 0.917 0.444 CB 1.420 37 residues pruned to eliminate duplicates Z: 15 11.426 1.704 0.253 0.900 0.929 0.714 CB 1.100 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 6.419 1.620 0.240 0.665 0.889 0.556 CB 1.029 10 residues pruned to eliminate duplicates Z: 14 12.262 1.736 0.264 0.876 0.923 0.692 CB 1.221 14 residues pruned to eliminate duplicates Z: 13 11.923 1.689 0.475 0.860 0.833 0.667 CB 1.219 13 residues pruned to eliminate duplicates Z: 16 11.539 1.803 0.261 0.718 0.933 0.867 CB 1.153 16 residues pruned to eliminate duplicates Z: 18 13.749 1.735 0.313 0.718 0.941 0.765 CB 1.277 18 residues pruned to eliminate duplicates Z: 15 13.222 1.862 0.262 0.727 1.000 0.786 CB 1.225 15 residues pruned to eliminate duplicates Z: 18 14.770 1.742 0.399 0.705 1.000 0.588 CB 1.220 18 residues pruned to eliminate duplicates Z: 12 11.986 1.817 0.198 0.864 0.909 0.818 CB 1.339 12 residues pruned to eliminate duplicates Z: 14 14.842 1.806 0.284 0.847 1.000 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 15 13.027 1.758 0.310 0.888 0.929 0.714 CB 1.173 15 residues pruned to eliminate duplicates Z: 11 10.479 1.796 0.456 0.613 1.000 0.800 CB 1.139 11 residues pruned to eliminate duplicates Z: 11 11.701 1.888 0.280 0.686 1.000 0.900 CB 1.291 11 residues pruned to eliminate duplicates Z: 39 31.042 2.061 0.667 0.614 0.921 0.658 CB 1.429 39 residues pruned to eliminate duplicates Z: 33 21.106 2.014 0.334 0.620 0.875 0.688 CB 1.418 33 residues pruned to eliminate duplicates Z: 41 36.058 2.152 0.606 0.649 0.925 0.625 CB 1.552 41 residues pruned to eliminate duplicates Z: 43 30.882 2.070 0.573 0.612 0.929 0.667 CB 1.418 43 residues pruned to eliminate duplicates Z: 22 26.945 2.126 0.517 0.704 1.000 0.667 CA 1.514 22 residues pruned to eliminate duplicates Z: 42 30.188 2.107 0.473 0.638 0.878 0.610 CB 1.520 42 residues pruned to eliminate duplicates Z: 41 34.100 2.094 0.552 0.643 0.950 0.650 CB 1.529 41 residues pruned to eliminate duplicates Z: 33 27.966 2.042 0.516 0.612 1.000 0.594 CB 1.435 33 residues pruned to eliminate duplicates Z: 43 30.440 2.018 0.670 0.591 0.905 0.548 CB 1.412 43 residues pruned to eliminate duplicates Z: 38 29.544 2.125 0.542 0.628 0.892 0.486 CB 1.473 38 residues pruned to eliminate duplicates Z: 43 36.148 2.071 0.598 0.673 0.929 0.595 CB 1.547 43 residues pruned to eliminate duplicates Z: 30 26.036 2.084 0.646 0.645 0.931 0.586 CB 1.322 30 residues pruned to eliminate duplicates Z: 41 34.920 2.133 0.745 0.624 0.925 0.650 CB 1.427 40 residues pruned to eliminate duplicates Z: 16 20.617 2.199 0.450 0.898 0.933 0.867 CB 1.280 16 residues pruned to eliminate duplicates Z: 42 25.503 1.987 0.673 0.496 0.878 0.512 CB 1.370 42 residues pruned to eliminate duplicates Z: 29 24.163 2.063 0.890 0.571 0.857 0.464 CB 1.276 29 residues pruned to eliminate duplicates Z: 40 36.527 2.150 0.721 0.652 0.897 0.615 CB 1.529 40 residues pruned to eliminate duplicates Z: 18 29.466 2.090 1.003 0.878 0.941 0.529 CB 1.317 18 residues pruned to eliminate duplicates Z: 31 30.116 2.097 0.697 0.627 1.000 0.500 CB 1.370 31 residues pruned to eliminate duplicates Z: 41 35.360 2.136 0.638 0.632 0.950 0.575 CB 1.486 41 residues pruned to eliminate duplicates Z: 18 31.834 2.092 1.116 0.905 1.000 0.588 CB 1.241 18 residues pruned to eliminate duplicates Z: 42 32.512 2.099 0.719 0.601 0.878 0.561 CB 1.457 42 residues pruned to eliminate duplicates Z: 89 67.534 2.241 0.904 0.674 0.909 0.534 CB 1.581 88 residues pruned to eliminate duplicates Z: 18 30.200 2.063 1.187 0.891 1.000 0.471 CB 1.167 18 residues pruned to eliminate duplicates Z: 31 32.697 2.130 0.843 0.656 0.933 0.533 CB 1.409 31 residues pruned to eliminate duplicates Z: 40 38.596 2.133 0.802 0.694 0.949 0.487 CB 1.419 40 residues pruned to eliminate duplicates Z: 41 37.898 2.112 0.715 0.672 0.950 0.650 CB 1.486 41 residues pruned to eliminate duplicates Z: 13 15.619 2.022 0.390 0.602 0.917 0.500 N 1.587 13 residues pruned to eliminate duplicates Z: 108 78.038 2.202 0.847 0.701 0.935 0.570 CB 1.654 102 residues pruned to eliminate duplicates Z: 10 14.465 2.146 0.098 0.788 1.000 0.778 CA 1.589 10 residues pruned to eliminate duplicates Z: 39 39.543 2.189 0.720 0.691 0.947 0.632 CB 1.510 39 residues pruned to eliminate duplicates Z: 40 38.788 2.125 0.781 0.664 0.949 0.487 CB 1.487 40 residues pruned to eliminate duplicates Z: 41 39.065 2.137 0.815 0.685 0.925 0.600 CB 1.453 41 residues pruned to eliminate duplicates Z: 42 30.970 2.041 0.737 0.640 0.854 0.390 CB 1.402 42 residues pruned to eliminate duplicates Z: 89 75.320 2.249 0.949 0.713 0.943 0.557 CB 1.601 89 residues pruned to eliminate duplicates Z: 32 33.630 2.171 0.914 0.699 0.903 0.548 CB 1.342 32 residues pruned to eliminate duplicates Z: 40 34.605 2.119 0.703 0.657 0.897 0.410 CB 1.479 40 residues pruned to eliminate duplicates Z: 55 29.786 1.966 0.631 0.543 0.889 0.537 CB 1.363 55 residues pruned to eliminate duplicates Z: 39 38.173 2.159 0.829 0.693 0.895 0.474 CB 1.469 39 residues pruned to eliminate duplicates Z: 61 81.409 2.352 1.032 0.781 0.967 0.650 CB 1.776 61 residues pruned to eliminate duplicates Z: 61 80.647 2.339 1.041 0.786 0.950 0.617 CA 1.785 61 residues pruned to eliminate duplicates Z: 68 69.188 2.232 1.066 0.710 0.940 0.627 CA 1.612 68 residues pruned to eliminate duplicates Z: 64 75.208 2.300 1.010 0.750 0.952 0.619 CB 1.722 64 residues pruned to eliminate duplicates Z: 47 69.313 2.356 1.063 0.775 0.978 0.696 CA 1.687 47 residues pruned to eliminate duplicates Z: 74 68.837 2.254 0.843 0.737 0.918 0.630 CB 1.709 74 residues pruned to eliminate duplicates Z: 41 73.856 2.425 1.008 0.841 1.000 0.600 CB 1.788 41 residues pruned to eliminate duplicates Z: 61 82.186 2.341 1.079 0.777 0.967 0.600 CB 1.766 61 residues pruned to eliminate duplicates Z: 63 78.272 2.313 1.047 0.766 0.968 0.597 CA 1.715 63 residues pruned to eliminate duplicates Z: 54 66.557 2.324 0.951 0.708 0.962 0.698 CB 1.734 54 residues pruned to eliminate duplicates Z: 61 75.151 2.339 0.915 0.772 0.967 0.717 CA 1.761 61 residues pruned to eliminate duplicates Z: 63 79.223 2.307 1.072 0.765 0.952 0.629 CA 1.749 63 residues pruned to eliminate duplicates Z: 61 81.396 2.346 1.026 0.791 0.967 0.650 CA 1.772 61 residues pruned to eliminate duplicates Z: 47 68.013 2.396 0.955 0.765 0.957 0.565 CB 1.769 47 residues pruned to eliminate duplicates Z: 46 69.782 2.417 1.050 0.787 0.911 0.711 CB 1.790 46 residues pruned to eliminate duplicates Z: 49 63.636 2.333 0.992 0.752 0.938 0.583 CB 1.683 49 residues pruned to eliminate duplicates Z: 51 69.566 2.336 1.026 0.734 0.960 0.560 CB 1.755 51 residues pruned to eliminate duplicates Z: 62 82.907 2.309 1.071 0.778 0.967 0.607 CB 1.797 62 residues pruned to eliminate duplicates Z: 61 83.471 2.348 1.090 0.787 0.967 0.600 CA 1.765 61 residues pruned to eliminate duplicates Z: 44 75.949 2.452 1.094 0.821 0.953 0.698 CB 1.792 44 residues pruned to eliminate duplicates Z: 104 80.395 2.230 0.928 0.705 0.951 0.515 CB 1.607 104 residues pruned to eliminate duplicates Z: 61 66.913 2.288 1.027 0.706 0.917 0.583 CB 1.685 61 residues pruned to eliminate duplicates Z: 51 61.188 2.295 0.998 0.712 0.920 0.480 CB 1.693 51 residues pruned to eliminate duplicates Z: 64 71.294 2.288 1.000 0.734 0.937 0.571 CA 1.699 64 residues pruned to eliminate duplicates Z: 61 77.817 2.324 1.040 0.776 0.933 0.533 CB 1.778 61 residues pruned to eliminate duplicates Z: 62 80.756 2.328 1.097 0.772 0.951 0.492 CB 1.752 62 residues pruned to eliminate duplicates Z: 50 64.947 2.347 1.077 0.740 0.939 0.612 CB 1.635 50 residues pruned to eliminate duplicates Z: 38 74.938 2.492 1.173 0.867 0.946 0.486 CB 1.759 38 residues pruned to eliminate duplicates Z: 50 60.505 2.375 0.881 0.725 0.959 0.592 CB 1.646 50 residues pruned to eliminate duplicates Z: 62 77.078 2.315 1.114 0.754 0.934 0.393 CB 1.721 62 residues pruned to eliminate duplicates Z: 63 78.777 2.334 1.122 0.755 0.919 0.516 CB 1.751 63 residues pruned to eliminate duplicates Z: 64 76.330 2.305 1.016 0.748 0.968 0.492 CB 1.712 64 residues pruned to eliminate duplicates Z: 61 74.840 2.346 1.057 0.773 0.900 0.500 CB 1.747 61 residues pruned to eliminate duplicates Z: 60 81.257 2.355 1.026 0.787 0.966 0.492 CB 1.784 60 residues pruned to eliminate duplicates Z: 48 70.956 2.341 1.153 0.753 0.936 0.447 CB 1.751 48 residues pruned to eliminate duplicates Z: 80 73.542 2.274 1.046 0.722 0.937 0.494 CB 1.553 80 residues pruned to eliminate duplicates Z: 58 85.792 2.366 1.193 0.805 0.947 0.456 CB 1.772 58 residues pruned to eliminate duplicates Z: 76 71.915 2.250 1.000 0.706 0.933 0.440 CB 1.640 76 residues pruned to eliminate duplicates Z: 92 69.990 2.233 0.931 0.676 0.945 0.495 CB 1.531 92 residues pruned to eliminate duplicates Z: 61 85.087 2.343 1.160 0.786 0.967 0.450 CB 1.746 61 residues pruned to eliminate duplicates Z: 67 68.136 2.237 0.977 0.710 0.939 0.470 CB 1.668 67 residues pruned to eliminate duplicates Z: 62 77.549 2.311 1.076 0.757 0.934 0.410 CB 1.761 62 residues pruned to eliminate duplicates Z: 61 77.272 2.323 1.072 0.762 0.967 0.433 CB 1.699 61 residues pruned to eliminate duplicates Z: 60 88.469 2.357 1.190 0.803 0.983 0.508 CB 1.742 60 residues pruned to eliminate duplicates Z: 62 73.404 2.310 1.011 0.776 0.951 0.525 CB 1.668 62 residues pruned to eliminate duplicates Z: 66 73.642 2.278 1.090 0.724 0.954 0.462 CB 1.644 66 residues pruned to eliminate duplicates Z: 61 81.401 2.331 1.175 0.793 0.933 0.533 CB 1.718 61 residues pruned to eliminate duplicates Z: 72 64.147 2.205 1.046 0.676 0.873 0.380 CB 1.643 72 residues pruned to eliminate duplicates Z: 33 42.758 2.128 1.067 0.659 0.875 0.500 CB 1.694 33 residues pruned to eliminate duplicates Z: 63 75.983 2.324 1.134 0.758 0.919 0.403 CB 1.683 63 residues pruned to eliminate duplicates Z: 64 73.008 2.263 1.095 0.748 0.921 0.444 CB 1.688 64 residues pruned to eliminate duplicates Z: 102 81.841 2.247 0.974 0.725 0.941 0.485 CB 1.593 102 residues pruned to eliminate duplicates Z: 61 84.145 2.335 1.154 0.782 0.967 0.417 CB 1.742 61 residues pruned to eliminate duplicates Z: 58 77.027 2.345 1.143 0.804 0.912 0.386 CB 1.706 58 residues pruned to eliminate duplicates Z: 65 72.477 2.270 0.991 0.733 0.953 0.469 CB 1.706 65 residues pruned to eliminate duplicates Z: 58 75.525 2.335 1.064 0.777 0.930 0.526 CB 1.748 58 residues pruned to eliminate duplicates Z: 27 27.978 2.006 0.897 0.649 0.846 0.500 CB 1.482 27 residues pruned to eliminate duplicates Z: 72 66.523 2.263 1.037 0.735 0.901 0.479 CB 1.538 72 residues pruned to eliminate duplicates Z: 71 76.158 2.276 1.064 0.726 0.971 0.529 CB 1.627 71 residues pruned to eliminate duplicates Z: 69 71.090 2.304 0.988 0.763 0.897 0.515 CB 1.661 69 residues pruned to eliminate duplicates Z: 70 72.566 2.281 1.032 0.749 0.942 0.478 CB 1.602 70 residues pruned to eliminate duplicates Z: 70 72.071 2.293 0.999 0.774 0.913 0.522 CB 1.627 70 residues pruned to eliminate duplicates Z: 14 13.422 1.914 0.517 0.647 0.846 0.615 CB 1.321 14 residues pruned to eliminate duplicates Z: 56 64.033 2.239 0.953 0.740 0.945 0.382 CB 1.685 56 residues pruned to eliminate duplicates Z: 15 13.902 1.844 0.520 0.598 0.857 0.714 N 1.409 15 residues pruned to eliminate duplicates Z: 72 73.106 2.289 0.996 0.728 0.944 0.549 CB 1.638 72 residues pruned to eliminate duplicates Z: 67 59.148 2.250 0.985 0.713 0.848 0.439 CB 1.584 67 residues pruned to eliminate duplicates Z: 9 12.299 2.015 0.260 0.795 1.000 1.000 CA 1.322 9 residues pruned to eliminate duplicates Z: 40 32.424 1.946 0.524 0.693 0.974 0.744 CB 1.507 40 residues pruned to eliminate duplicates Z: 59 38.367 1.995 0.599 0.597 0.983 0.724 CA 1.465 59 residues pruned to eliminate duplicates Z: 99 76.491 2.189 0.913 0.730 0.939 0.571 CB 1.598 99 residues pruned to eliminate duplicates Z: 115 80.687 2.208 0.870 0.705 0.939 0.614 CB 1.618 115 residues pruned to eliminate duplicates Z: 11 22.395 1.912 0.929 0.909 1.000 1.000 CA 1.363 11 residues pruned to eliminate duplicates Z: 117 81.060 2.179 0.888 0.702 0.957 0.552 CB 1.590 116 residues pruned to eliminate duplicates Z: 13 18.368 1.927 0.586 0.823 1.000 0.833 CB 1.311 13 residues pruned to eliminate duplicates Z: 115 76.662 2.183 0.863 0.696 0.930 0.509 CB 1.588 115 residues pruned to eliminate duplicates Z: 43 25.378 1.883 0.541 0.536 0.952 0.667 CB 1.368 43 residues pruned to eliminate duplicates Z: 102 75.356 2.167 0.924 0.731 0.921 0.564 CB 1.587 102 residues pruned to eliminate duplicates Z: 64 42.409 1.997 0.759 0.634 0.889 0.635 CB 1.510 64 residues pruned to eliminate duplicates Z: 59 42.109 2.012 0.680 0.634 0.948 0.724 CB 1.522 59 residues pruned to eliminate duplicates Z: 16 32.869 2.056 0.876 0.912 1.000 0.667 CA 1.558 16 residues pruned to eliminate duplicates Z: 113 79.035 2.204 0.892 0.696 0.938 0.518 CB 1.597 113 residues pruned to eliminate duplicates Z: 99 80.689 2.181 1.023 0.746 0.949 0.531 CB 1.563 99 residues pruned to eliminate duplicates Z: 32 31.202 2.055 0.657 0.614 0.935 0.710 CA 1.579 32 residues pruned to eliminate duplicates Z: 33 31.991 2.039 0.684 0.591 0.969 0.625 CA 1.559 33 residues pruned to eliminate duplicates Z: 106 78.879 2.190 0.936 0.715 0.943 0.552 CB 1.585 106 residues pruned to eliminate duplicates Z: 114 84.652 2.209 0.903 0.713 0.956 0.593 CB 1.634 115 residues pruned to eliminate duplicates Z: 15 32.617 2.095 0.970 0.866 1.000 0.571 CA 1.547 15 residues pruned to eliminate duplicates Z: 27 32.155 1.984 0.958 0.689 0.885 0.385 CA 1.543 27 residues pruned to eliminate duplicates Z: 116 82.049 2.200 0.955 0.700 0.948 0.600 CB 1.564 116 residues pruned to eliminate duplicates Z: 42 36.102 2.053 0.711 0.610 0.927 0.512 CA 1.560 41 residues pruned to eliminate duplicates Z: 16 34.415 2.027 1.065 0.928 1.000 0.533 CA 1.486 16 residues pruned to eliminate duplicates Z: 42 36.098 2.054 0.726 0.628 0.927 0.610 CA 1.521 42 residues pruned to eliminate duplicates Z: 100 78.734 2.168 0.980 0.743 0.949 0.535 CB 1.562 100 residues pruned to eliminate duplicates Z: 99 79.271 2.173 1.018 0.737 0.918 0.490 CB 1.608 99 residues pruned to eliminate duplicates Z: 43 32.449 2.035 0.538 0.608 0.929 0.619 CA 1.555 43 residues pruned to eliminate duplicates Z: 50 35.144 1.948 0.655 0.641 0.959 0.755 CB 1.423 50 residues pruned to eliminate duplicates Z: 57 42.042 2.055 0.737 0.616 0.929 0.661 CB 1.520 57 residues pruned to eliminate duplicates Z: 116 80.310 2.187 0.912 0.696 0.930 0.513 CB 1.610 116 residues pruned to eliminate duplicates Z: 42 32.710 2.007 0.628 0.581 0.951 0.634 CA 1.521 49 residues pruned to eliminate duplicates Z: 7 5.105 1.751 0.142 0.333 1.000 0.667 CB 1.251 7 residues pruned to eliminate duplicates Z: 44 30.147 1.962 0.594 0.562 0.953 0.372 CB 1.452 44 residues pruned to eliminate duplicates Z: 41 33.533 2.067 0.538 0.609 0.950 0.625 CB 1.583 41 residues pruned to eliminate duplicates Z: 16 19.082 2.178 0.475 0.579 0.933 0.867 CA 1.523 16 residues pruned to eliminate duplicates Z: 18 16.022 2.159 0.454 0.459 0.882 0.588 CA 1.463 18 residues pruned to eliminate duplicates Z: 41 36.551 2.072 0.750 0.606 0.950 0.625 CB 1.517 41 residues pruned to eliminate duplicates Z: 18 14.333 2.168 0.338 0.460 0.824 0.706 CA 1.516 18 residues pruned to eliminate duplicates Z: 42 35.323 2.067 0.660 0.632 0.951 0.610 CB 1.493 42 residues pruned to eliminate duplicates Z: 8 18.103 2.130 0.899 0.654 1.000 0.571 CA 1.465 9 residues pruned to eliminate duplicates Z: 10 19.149 2.232 0.626 0.783 0.889 0.778 CA 1.542 10 residues pruned to eliminate duplicates Z: 9 24.537 2.461 0.602 0.814 1.000 1.000 CA 1.674 10 residues pruned to eliminate duplicates Z: 7 5.926 1.664 0.223 0.785 1.000 0.667 CB 0.925 6 residues pruned to eliminate duplicates Z: 7 5.316 1.654 0.072 0.854 1.000 1.000 CB 0.904 7 residues pruned to eliminate duplicates Z: 7 5.880 1.662 0.197 0.833 1.000 0.833 CB 0.905 7 residues pruned to eliminate duplicates Z: 6 5.148 1.574 0.309 0.802 1.000 0.600 CB 0.858 6 residues pruned to eliminate duplicates Z: 11 8.618 1.493 0.273 0.833 0.900 0.700 O 1.196 11 residues pruned to eliminate duplicates Z: 49 28.664 1.940 0.532 0.580 0.875 0.583 CB 1.473 49 residues pruned to eliminate duplicates Z: 20 13.292 1.603 0.481 0.661 0.947 0.632 CB 1.167 20 residues pruned to eliminate duplicates Z: 56 24.215 1.860 0.561 0.548 0.836 0.527 CB 1.282 56 residues pruned to eliminate duplicates Z: 11 8.393 1.540 0.343 0.779 0.800 0.300 CA 1.253 11 residues pruned to eliminate duplicates Z: 16 10.555 1.517 0.310 0.623 1.000 0.467 CB 1.221 16 residues pruned to eliminate duplicates Z: 55 21.371 1.859 0.500 0.483 0.852 0.463 CB 1.245 55 residues pruned to eliminate duplicates Z: 34 15.295 1.877 0.485 0.460 0.848 0.424 CB 1.173 34 residues pruned to eliminate duplicates Z: 20 12.240 1.746 0.455 0.488 0.947 0.579 CB 1.182 20 residues pruned to eliminate duplicates Z: 14 5.745 1.659 0.274 0.424 0.846 0.462 CB 0.964 14 residues pruned to eliminate duplicates Z: 39 23.490 1.902 0.562 0.526 0.974 0.474 CB 1.284 39 residues pruned to eliminate duplicates Z: 53 24.234 1.874 0.633 0.481 0.885 0.519 CB 1.266 53 residues pruned to eliminate duplicates Z: 37 20.676 1.972 0.461 0.554 0.917 0.500 CB 1.239 37 residues pruned to eliminate duplicates Z: 42 22.768 1.902 0.531 0.528 0.927 0.585 CB 1.281 42 residues pruned to eliminate duplicates Z: 31 11.426 1.887 0.368 0.373 0.800 0.333 CB 1.157 31 residues pruned to eliminate duplicates Z: 36 23.961 1.960 0.593 0.546 0.943 0.514 CB 1.315 36 residues pruned to eliminate duplicates Z: 32 22.213 1.995 0.655 0.525 0.935 0.516 CB 1.261 32 residues pruned to eliminate duplicates Z: 20 18.772 2.122 0.511 0.565 0.947 0.579 CB 1.331 20 residues pruned to eliminate duplicates Z: 37 19.883 1.945 0.543 0.579 0.861 0.444 CB 1.188 37 residues pruned to eliminate duplicates Z: 42 19.451 1.902 0.456 0.531 0.854 0.463 CB 1.245 42 residues pruned to eliminate duplicates Z: 42 20.668 1.912 0.503 0.531 0.902 0.463 CB 1.207 42 residues pruned to eliminate duplicates Z: 42 24.456 1.962 0.540 0.554 0.902 0.561 CB 1.329 42 residues pruned to eliminate duplicates Z: 44 21.463 1.914 0.466 0.612 0.860 0.488 CB 1.219 60 residues pruned to eliminate duplicates Z: 10 17.576 1.907 0.784 0.736 1.000 0.333 CA 1.393 10 residues pruned to eliminate duplicates Z: 41 21.559 1.927 0.559 0.555 0.950 0.625 CB 1.132 41 residues pruned to eliminate duplicates Z: 37 19.929 1.915 0.498 0.561 0.889 0.389 CB 1.227 37 residues pruned to eliminate duplicates Z: 33 25.244 2.031 0.554 0.652 0.969 0.531 CB 1.268 33 residues pruned to eliminate duplicates Z: 39 18.565 1.898 0.447 0.532 0.895 0.474 CB 1.188 39 residues pruned to eliminate duplicates Z: 34 24.771 2.007 0.652 0.608 0.939 0.606 CB 1.250 34 residues pruned to eliminate duplicates Z: 62 28.919 1.927 0.574 0.570 0.885 0.475 CB 1.288 62 residues pruned to eliminate duplicates Z: 31 25.966 2.043 0.765 0.610 0.933 0.600 CB 1.269 31 residues pruned to eliminate duplicates Z: 42 21.537 1.918 0.552 0.534 0.927 0.463 CB 1.179 42 residues pruned to eliminate duplicates Z: 42 24.997 1.907 0.659 0.597 0.927 0.512 CB 1.214 42 residues pruned to eliminate duplicates Z: 21 22.955 2.117 0.679 0.504 0.950 0.500 CB 1.514 21 residues pruned to eliminate duplicates Z: 36 22.515 1.983 0.584 0.597 0.914 0.571 CB 1.208 36 residues pruned to eliminate duplicates Z: 42 21.825 1.912 0.534 0.512 0.902 0.488 CB 1.272 42 residues pruned to eliminate duplicates Z: 43 24.759 1.984 0.508 0.582 0.929 0.500 CB 1.271 43 residues pruned to eliminate duplicates Z: 43 24.071 1.932 0.509 0.586 0.929 0.690 CB 1.263 43 residues pruned to eliminate duplicates Z: 45 25.632 1.918 0.618 0.567 0.932 0.545 CB 1.252 45 residues pruned to eliminate duplicates Z: 52 27.137 1.914 0.588 0.527 0.941 0.510 CB 1.293 52 residues pruned to eliminate duplicates Z: 42 27.193 1.993 0.652 0.593 0.951 0.512 CB 1.241 42 residues pruned to eliminate duplicates Z: 42 22.406 1.900 0.604 0.548 0.951 0.512 CB 1.152 42 residues pruned to eliminate duplicates Z: 25 20.385 1.944 0.544 0.639 0.958 0.583 CB 1.271 25 residues pruned to eliminate duplicates Z: 42 26.370 1.989 0.608 0.581 0.951 0.585 CB 1.251 42 residues pruned to eliminate duplicates Z: 50 32.178 2.050 0.696 0.612 0.918 0.367 CB 1.295 50 residues pruned to eliminate duplicates Z: 20 15.820 2.005 0.500 0.639 0.842 0.632 CB 1.259 20 residues pruned to eliminate duplicates Z: 13 9.686 1.784 0.619 0.515 0.917 0.583 CB 1.041 13 residues pruned to eliminate duplicates Z: 46 24.861 1.964 0.619 0.575 0.933 0.578 CB 1.162 46 residues pruned to eliminate duplicates Z: 23 15.851 1.949 0.685 0.563 0.909 0.455 CB 1.065 23 residues pruned to eliminate duplicates Z: 22 20.154 2.005 0.807 0.615 0.905 0.667 CB 1.203 22 residues pruned to eliminate duplicates Z: 23 19.151 1.910 0.655 0.634 0.909 0.727 CB 1.253 23 residues pruned to eliminate duplicates Z: 11 13.414 1.973 0.617 0.612 1.000 0.700 CB 1.195 11 residues pruned to eliminate duplicates Z: 21 17.814 1.988 0.770 0.650 0.850 0.600 CB 1.157 21 residues pruned to eliminate duplicates Z: 45 26.540 2.031 0.592 0.584 0.909 0.500 CB 1.256 45 residues pruned to eliminate duplicates Z: 48 26.869 2.018 0.661 0.590 0.872 0.596 CB 1.229 48 residues pruned to eliminate duplicates Z: 23 19.483 1.978 0.626 0.592 0.955 0.636 CB 1.238 23 residues pruned to eliminate duplicates Z: 13 12.550 1.975 0.723 0.617 0.917 0.500 CB 1.040 13 residues pruned to eliminate duplicates Z: 18 16.737 1.913 0.718 0.485 0.941 0.706 CB 1.332 18 residues pruned to eliminate duplicates Z: 19 15.292 1.955 0.766 0.518 0.833 0.389 CB 1.231 19 residues pruned to eliminate duplicates Z: 19 20.917 1.984 0.831 0.632 0.889 0.611 CB 1.348 19 residues pruned to eliminate duplicates Z: 21 17.040 2.028 0.687 0.596 0.850 0.400 CB 1.195 21 residues pruned to eliminate duplicates Z: 22 19.328 2.008 0.780 0.578 0.905 0.333 CB 1.210 22 residues pruned to eliminate duplicates Z: 21 17.076 1.849 0.612 0.597 1.000 0.400 CB 1.167 21 residues pruned to eliminate duplicates Z: 12 17.039 1.806 0.335 0.907 1.000 0.818 N 1.515 12 residues pruned to eliminate duplicates Z: 13 16.797 1.739 0.491 0.875 0.917 0.667 CB 1.484 13 residues pruned to eliminate duplicates Z: 13 16.885 1.713 0.527 0.852 0.917 0.417 CB 1.503 13 residues pruned to eliminate duplicates Z: 12 15.247 1.808 0.317 0.897 0.909 0.545 CA 1.519 12 residues pruned to eliminate duplicates Z: 24 14.391 1.813 0.377 0.592 0.826 0.435 CB 1.332 14 residues pruned to eliminate duplicates Z: 13 12.951 1.744 0.231 0.885 0.833 0.500 CA 1.508 13 residues pruned to eliminate duplicates Z: 22 17.988 1.898 0.326 0.671 0.905 0.667 CB 1.472 22 residues pruned to eliminate duplicates Z: 11 11.473 1.767 0.153 0.865 0.900 0.600 CA 1.450 11 residues pruned to eliminate duplicates Z: 13 13.919 1.789 0.212 0.887 0.917 0.583 CA 1.458 13 residues pruned to eliminate duplicates Z: 12 15.034 1.780 0.306 0.875 1.000 0.636 CA 1.419 12 residues pruned to eliminate duplicates Z: 14 13.555 1.714 0.333 0.879 0.923 0.462 CA 1.292 14 residues pruned to eliminate duplicates Z: 23 18.122 1.870 0.344 0.664 0.909 0.636 CB 1.453 24 residues pruned to eliminate duplicates Z: 15 11.837 1.735 0.321 0.739 0.857 0.643 CB 1.299 15 residues pruned to eliminate duplicates Z: 6 7.906 1.818 1.026 0.494 0.800 0.400 CA 1.207 Z: 7 7.125 1.537 0.440 0.673 1.000 0.833 CA 1.120 5 residues pruned to eliminate duplicates Z: 8 10.388 1.962 0.515 0.536 1.000 0.429 CB 1.274 8 residues pruned to eliminate duplicates Z: 26 20.207 2.146 0.510 0.488 0.880 0.440 CB 1.435 26 residues pruned to eliminate duplicates Z: 24 12.339 2.050 0.377 0.385 0.913 0.391 CB 1.128 24 residues pruned to eliminate duplicates Z: 27 20.898 2.097 0.534 0.461 0.923 0.577 CB 1.436 27 residues pruned to eliminate duplicates Z: 28 17.721 2.070 0.514 0.435 0.889 0.481 CB 1.309 28 residues pruned to eliminate duplicates Z: 25 20.004 2.160 0.542 0.435 0.917 0.542 CB 1.430 25 residues pruned to eliminate duplicates Z: 24 20.892 2.179 0.551 0.429 0.913 0.522 CB 1.520 24 residues pruned to eliminate duplicates Z: 27 18.274 2.135 0.478 0.421 0.885 0.615 CB 1.394 27 residues pruned to eliminate duplicates Z: 26 17.292 2.073 0.560 0.395 0.920 0.440 CB 1.299 26 residues pruned to eliminate duplicates Z: 28 16.277 2.046 0.431 0.419 0.852 0.407 CB 1.367 28 residues pruned to eliminate duplicates Z: 27 19.191 2.130 0.538 0.435 0.885 0.538 CB 1.389 27 residues pruned to eliminate duplicates Z: 20 11.686 2.067 0.552 0.274 0.842 0.579 CB 1.281 20 residues pruned to eliminate duplicates Z: 25 18.931 2.143 0.472 0.418 0.917 0.542 CB 1.455 25 residues pruned to eliminate duplicates Z: 26 21.470 2.151 0.529 0.447 0.920 0.600 CB 1.498 26 residues pruned to eliminate duplicates Z: 24 21.169 2.187 0.541 0.449 0.957 0.609 CB 1.443 24 residues pruned to eliminate duplicates Z: 26 17.316 2.089 0.419 0.414 0.920 0.520 CB 1.388 26 residues pruned to eliminate duplicates Z: 25 19.422 2.150 0.477 0.459 0.917 0.625 CB 1.420 25 residues pruned to eliminate duplicates Z: 32 15.605 2.047 0.430 0.383 0.839 0.516 CB 1.293 26 residues pruned to eliminate duplicates Z: 10 14.981 1.929 0.554 0.740 1.000 0.556 CB 1.344 16 residues pruned to eliminate duplicates Z: 9 15.881 1.920 0.791 0.841 0.875 0.500 CB 1.392 9 residues pruned to eliminate duplicates Z: 27 18.426 2.136 0.619 0.434 0.808 0.500 CB 1.385 27 residues pruned to eliminate duplicates Z: 27 17.095 2.089 0.530 0.462 0.808 0.462 CB 1.350 27 residues pruned to eliminate duplicates Z: 31 14.862 2.044 0.456 0.383 0.833 0.433 CB 1.239 31 residues pruned to eliminate duplicates Z: 39 17.096 2.018 0.503 0.423 0.816 0.526 CB 1.214 44 residues pruned to eliminate duplicates Z: 6 3.084 1.693 0.570 0.437 0.800 0.200 CB 0.692 Z: 6 6.112 1.859 0.660 0.318 0.800 0.200 CB 1.353 Z: 8 4.710 1.544 0.389 0.527 0.857 0.143 CB 0.943 5 residues pruned to eliminate duplicates Z: 26 19.758 1.923 0.725 0.610 0.840 0.640 CB 1.278 35 residues pruned to eliminate duplicates Z: 16 24.988 2.115 0.906 0.677 0.867 0.867 CB 1.569 16 residues pruned to eliminate duplicates Z: 50 39.302 2.093 0.614 0.651 0.918 0.735 CB 1.572 50 residues pruned to eliminate duplicates Z: 59 37.954 2.103 0.593 0.623 0.879 0.707 CB 1.507 59 residues pruned to eliminate duplicates Z: 48 44.741 2.133 0.689 0.682 0.936 0.766 CB 1.638 48 residues pruned to eliminate duplicates Z: 63 37.705 2.042 0.663 0.586 0.887 0.581 CB 1.465 69 residues pruned to eliminate duplicates Z: 20 28.401 2.086 0.709 0.688 1.000 0.526 CB 1.538 20 residues pruned to eliminate duplicates Z: 49 41.801 2.117 0.709 0.660 0.938 0.771 CB 1.533 49 residues pruned to eliminate duplicates Z: 24 25.258 2.061 0.915 0.613 0.870 0.696 CB 1.378 24 residues pruned to eliminate duplicates Z: 48 42.548 2.123 0.608 0.692 0.957 0.787 CB 1.593 48 residues pruned to eliminate duplicates Z: 19 28.120 2.116 0.973 0.670 0.944 0.667 CB 1.437 19 residues pruned to eliminate duplicates Z: 47 49.586 2.168 0.778 0.705 0.957 0.630 CB 1.646 47 residues pruned to eliminate duplicates Z: 50 46.636 2.117 0.640 0.683 0.980 0.653 CB 1.655 50 residues pruned to eliminate duplicates Z: 46 46.362 2.162 0.679 0.710 0.956 0.600 CB 1.647 46 residues pruned to eliminate duplicates Z: 49 41.747 2.118 0.663 0.672 0.917 0.708 CB 1.592 49 residues pruned to eliminate duplicates Z: 49 45.063 2.117 0.698 0.711 0.958 0.750 CB 1.559 49 residues pruned to eliminate duplicates Z: 49 45.246 2.136 0.684 0.652 0.938 0.729 CB 1.682 49 residues pruned to eliminate duplicates Z: 46 50.273 2.170 0.722 0.711 0.978 0.667 CB 1.694 46 residues pruned to eliminate duplicates Z: 49 44.901 2.129 0.690 0.685 0.917 0.729 CB 1.659 49 residues pruned to eliminate duplicates Z: 47 46.407 2.155 0.745 0.704 0.935 0.804 CB 1.617 47 residues pruned to eliminate duplicates Z: 49 49.205 2.122 0.721 0.701 0.979 0.625 CB 1.653 49 residues pruned to eliminate duplicates Z: 48 51.627 2.155 0.769 0.694 0.979 0.702 CB 1.690 48 residues pruned to eliminate duplicates Z: 34 36.685 2.085 0.610 0.675 0.970 0.758 CB 1.671 34 residues pruned to eliminate duplicates Z: 38 34.298 2.051 0.639 0.641 0.946 0.730 CB 1.555 38 residues pruned to eliminate duplicates Z: 47 46.944 2.161 0.805 0.694 0.935 0.609 CB 1.591 47 residues pruned to eliminate duplicates Z: 49 44.749 2.111 0.674 0.704 0.958 0.646 CB 1.585 49 residues pruned to eliminate duplicates Z: 33 37.974 2.172 0.546 0.707 1.000 0.781 CB 1.656 33 residues pruned to eliminate duplicates Z: 50 44.409 2.111 0.826 0.648 0.898 0.755 CB 1.597 50 residues pruned to eliminate duplicates Z: 35 36.700 2.106 0.593 0.684 0.941 0.735 CB 1.684 35 residues pruned to eliminate duplicates Z: 34 39.767 2.130 0.729 0.653 0.970 0.636 CB 1.681 34 residues pruned to eliminate duplicates Z: 33 32.718 2.126 0.466 0.644 0.969 0.719 CB 1.675 33 residues pruned to eliminate duplicates Z: 48 48.700 2.137 0.691 0.705 1.000 0.681 CB 1.631 48 residues pruned to eliminate duplicates Z: 44 42.231 2.103 0.784 0.658 0.953 0.674 CB 1.554 44 residues pruned to eliminate duplicates Z: 34 38.445 2.107 0.678 0.677 0.970 0.667 CB 1.658 34 residues pruned to eliminate duplicates Z: 35 33.225 2.118 0.691 0.643 0.912 0.853 CB 1.527 35 residues pruned to eliminate duplicates Z: 49 44.748 2.123 0.854 0.670 0.917 0.729 CB 1.530 49 residues pruned to eliminate duplicates Z: 34 39.504 2.089 0.716 0.676 1.000 0.788 CB 1.631 34 residues pruned to eliminate duplicates Z: 57 36.863 2.047 0.704 0.580 0.875 0.661 CB 1.494 57 residues pruned to eliminate duplicates Z: 50 46.030 2.094 0.855 0.659 0.939 0.612 CB 1.556 50 residues pruned to eliminate duplicates Z: 34 38.814 2.151 0.687 0.652 0.970 0.818 CB 1.667 34 residues pruned to eliminate duplicates Z: 49 49.160 2.139 0.787 0.684 0.938 0.792 CB 1.673 49 residues pruned to eliminate duplicates Z: 33 40.451 2.148 0.721 0.698 0.969 0.656 CB 1.666 33 residues pruned to eliminate duplicates Z: 31 42.113 2.187 0.831 0.692 0.967 0.733 CB 1.667 31 residues pruned to eliminate duplicates Z: 50 48.619 2.103 0.851 0.660 0.939 0.633 CB 1.638 50 residues pruned to eliminate duplicates Z: 48 50.917 2.137 0.827 0.685 0.979 0.723 CB 1.640 48 residues pruned to eliminate duplicates Z: 49 44.830 2.110 0.853 0.686 0.938 0.604 CB 1.488 49 residues pruned to eliminate duplicates Z: 37 40.159 2.068 0.771 0.695 0.972 0.722 CB 1.573 37 residues pruned to eliminate duplicates Z: 52 46.291 2.073 0.830 0.702 0.922 0.647 CB 1.542 52 residues pruned to eliminate duplicates Z: 39 38.392 2.030 0.708 0.689 0.947 0.684 CB 1.594 39 residues pruned to eliminate duplicates Z: 21 28.424 1.880 0.685 0.899 0.950 0.650 CB 1.509 21 residues pruned to eliminate duplicates Z: 6 6.358 1.601 0.611 0.544 1.000 0.600 CB 1.055 6 residues pruned to eliminate duplicates Z: 6 5.283 1.623 0.527 0.658 1.000 0.600 CB 0.823 6 residues pruned to eliminate duplicates Z: 10 6.046 1.778 0.219 0.389 0.889 0.444 CB 1.177 10 residues pruned to eliminate duplicates Z: 9 3.617 1.792 0.513 0.135 0.625 0.375 CA 1.189 9 residues pruned to eliminate duplicates Z: 30 18.741 2.034 0.441 0.434 0.862 0.448 CB 1.475 30 residues pruned to eliminate duplicates Z: 25 21.429 2.107 0.654 0.470 0.917 0.583 CB 1.412 25 residues pruned to eliminate duplicates Z: 28 19.234 2.066 0.515 0.458 0.852 0.593 CB 1.450 28 residues pruned to eliminate duplicates Z: 18 10.318 1.949 0.298 0.274 0.882 0.471 CB 1.448 18 residues pruned to eliminate duplicates Z: 42 25.326 2.144 0.556 0.393 0.902 0.488 CB 1.472 42 residues pruned to eliminate duplicates Z: 18 7.374 1.937 0.367 0.276 0.647 0.353 CB 1.344 18 residues pruned to eliminate duplicates Z: 59 35.557 2.190 0.554 0.470 0.879 0.603 CB 1.609 59 residues pruned to eliminate duplicates Z: 37 19.542 2.003 0.474 0.404 0.833 0.472 CB 1.465 37 residues pruned to eliminate duplicates Z: 32 18.199 2.005 0.538 0.421 0.839 0.581 CB 1.372 32 residues pruned to eliminate duplicates Z: 30 20.645 2.046 0.495 0.428 0.931 0.517 CB 1.450 30 residues pruned to eliminate duplicates Z: 20 11.210 1.854 0.557 0.284 0.842 0.474 CB 1.350 20 residues pruned to eliminate duplicates Z: 59 33.842 2.184 0.508 0.464 0.879 0.621 CB 1.592 59 residues pruned to eliminate duplicates Z: 20 20.318 2.119 0.587 0.512 0.895 0.684 CB 1.531 20 residues pruned to eliminate duplicates Z: 37 26.142 2.071 0.640 0.418 0.917 0.583 CB 1.524 37 residues pruned to eliminate duplicates Z: 40 22.874 2.068 0.534 0.424 0.846 0.538 CB 1.476 40 residues pruned to eliminate duplicates Z: 59 33.877 2.151 0.604 0.452 0.862 0.586 CB 1.572 59 residues pruned to eliminate duplicates Z: 38 23.269 2.101 0.513 0.416 0.892 0.541 CB 1.473 38 residues pruned to eliminate duplicates Z: 13 20.883 2.164 0.705 0.700 0.917 0.583 CA 1.486 13 residues pruned to eliminate duplicates Z: 10 23.257 2.250 0.607 0.898 0.889 0.778 CB 1.726 10 residues pruned to eliminate duplicates Z: 47 34.672 2.186 0.676 0.507 0.870 0.609 CA 1.594 47 residues pruned to eliminate duplicates Z: 28 18.186 2.037 0.467 0.443 0.852 0.630 CB 1.457 28 residues pruned to eliminate duplicates Z: 44 35.046 2.225 0.565 0.551 0.884 0.535 CB 1.653 44 residues pruned to eliminate duplicates Z: 12 22.159 2.191 0.745 0.758 0.909 0.727 CB 1.527 12 residues pruned to eliminate duplicates Z: 80 41.927 2.138 0.652 0.457 0.899 0.570 CB 1.552 80 residues pruned to eliminate duplicates Z: 30 31.982 2.311 0.728 0.517 0.862 0.552 CB 1.697 30 residues pruned to eliminate duplicates Z: 59 36.949 2.194 0.652 0.457 0.879 0.552 CB 1.591 59 residues pruned to eliminate duplicates Z: 41 26.436 2.189 0.568 0.401 0.875 0.475 CB 1.545 41 residues pruned to eliminate duplicates Z: 60 34.082 2.192 0.617 0.455 0.831 0.593 CB 1.578 60 residues pruned to eliminate duplicates Z: 56 39.065 2.215 0.659 0.508 0.873 0.564 CB 1.629 56 residues pruned to eliminate duplicates Z: 59 31.415 2.133 0.586 0.416 0.845 0.517 CB 1.575 59 residues pruned to eliminate duplicates Z: 68 36.039 2.091 0.647 0.492 0.851 0.597 CB 1.514 68 residues pruned to eliminate duplicates Z: 35 24.441 2.121 0.637 0.477 0.824 0.529 CA 1.500 35 residues pruned to eliminate duplicates Z: 27 23.337 2.219 0.523 0.489 0.885 0.577 CB 1.548 27 residues pruned to eliminate duplicates Z: 61 34.016 2.155 0.556 0.443 0.867 0.533 CB 1.604 61 residues pruned to eliminate duplicates Z: 56 33.594 2.137 0.637 0.451 0.855 0.527 CB 1.592 56 residues pruned to eliminate duplicates Z: 59 34.044 2.174 0.585 0.462 0.879 0.569 CB 1.534 59 residues pruned to eliminate duplicates Z: 25 24.361 2.135 0.630 0.542 0.833 0.708 CB 1.647 25 residues pruned to eliminate duplicates Z: 30 31.712 2.298 0.638 0.528 0.897 0.690 CB 1.697 30 residues pruned to eliminate duplicates Z: 22 30.798 2.244 0.773 0.602 0.905 0.667 CA 1.694 22 residues pruned to eliminate duplicates Z: 82 40.310 2.094 0.632 0.457 0.889 0.531 CB 1.541 82 residues pruned to eliminate duplicates Z: 60 35.457 2.164 0.633 0.454 0.881 0.542 CB 1.554 60 residues pruned to eliminate duplicates Z: 46 31.155 2.112 0.758 0.482 0.822 0.489 CB 1.550 46 residues pruned to eliminate duplicates Z: 82 40.456 2.069 0.659 0.458 0.901 0.506 CB 1.517 82 residues pruned to eliminate duplicates Z: 81 35.834 2.080 0.584 0.419 0.887 0.500 CB 1.491 81 residues pruned to eliminate duplicates Z: 32 32.413 2.257 0.758 0.483 0.871 0.581 CA 1.714 32 residues pruned to eliminate duplicates Z: 23 31.061 2.228 0.797 0.596 0.864 0.682 CB 1.747 23 residues pruned to eliminate duplicates Z: 32 37.753 2.198 0.918 0.610 0.871 0.581 CB 1.663 32 residues pruned to eliminate duplicates Z: 48 29.999 2.106 0.579 0.472 0.851 0.532 CB 1.591 48 residues pruned to eliminate duplicates Z: 46 35.051 2.149 0.827 0.541 0.800 0.511 CB 1.598 46 residues pruned to eliminate duplicates Z: 29 35.629 2.166 0.821 0.619 0.929 0.536 CA 1.643 29 residues pruned to eliminate duplicates Z: 46 35.042 2.178 0.739 0.495 0.867 0.556 CB 1.600 46 residues pruned to eliminate duplicates Z: 20 19.081 1.959 0.730 0.500 0.842 0.526 CA 1.534 20 residues pruned to eliminate duplicates Z: 68 38.717 2.111 0.712 0.494 0.851 0.552 CB 1.548 68 residues pruned to eliminate duplicates Z: 77 40.913 2.107 0.678 0.454 0.895 0.618 CB 1.555 77 residues pruned to eliminate duplicates Z: 43 32.884 2.076 0.702 0.529 0.881 0.548 CB 1.583 43 residues pruned to eliminate duplicates Z: 32 34.012 2.214 0.974 0.622 0.806 0.581 CB 1.545 32 residues pruned to eliminate duplicates Z: 49 37.584 2.173 0.750 0.518 0.875 0.562 CB 1.601 49 residues pruned to eliminate duplicates Z: 12 13.553 1.847 0.805 0.534 0.818 0.545 CB 1.450 12 residues pruned to eliminate duplicates Z: 24 16.836 1.943 0.580 0.448 0.826 0.435 CB 1.461 24 residues pruned to eliminate duplicates Z: 82 36.356 2.089 0.610 0.435 0.827 0.506 CB 1.554 82 residues pruned to eliminate duplicates Z: 48 33.661 2.116 0.804 0.463 0.830 0.596 CB 1.610 48 residues pruned to eliminate duplicates Z: 24 17.680 1.923 0.554 0.470 0.870 0.522 CB 1.462 24 residues pruned to eliminate duplicates Z: 43 31.524 2.042 0.796 0.510 0.905 0.667 CB 1.451 43 residues pruned to eliminate duplicates Z: 41 38.010 2.044 0.868 0.584 0.900 0.450 CB 1.613 41 residues pruned to eliminate duplicates Z: 80 41.080 2.136 0.674 0.467 0.861 0.544 CB 1.553 80 residues pruned to eliminate duplicates Z: 26 19.458 1.875 0.664 0.461 0.920 0.400 CB 1.411 26 residues pruned to eliminate duplicates Z: 50 30.738 2.006 0.697 0.476 0.857 0.510 CB 1.543 50 residues pruned to eliminate duplicates Z: 82 41.463 2.107 0.642 0.442 0.889 0.556 CB 1.590 82 residues pruned to eliminate duplicates Z: 28 12.417 1.729 0.501 0.418 0.778 0.444 CB 1.290 28 residues pruned to eliminate duplicates Z: 78 38.146 2.116 0.661 0.461 0.870 0.494 CB 1.479 78 residues pruned to eliminate duplicates Z: 64 37.311 2.132 0.731 0.470 0.825 0.540 CB 1.592 64 residues pruned to eliminate duplicates Z: 46 37.822 2.061 0.818 0.576 0.889 0.600 CB 1.573 46 residues pruned to eliminate duplicates Z: 56 35.213 2.102 0.663 0.464 0.891 0.600 CA 1.582 56 residues pruned to eliminate duplicates Z: 39 33.625 2.129 0.677 0.560 0.921 0.658 CA 1.566 39 residues pruned to eliminate duplicates Z: 23 20.761 1.997 0.668 0.455 0.909 0.409 CA 1.531 23 residues pruned to eliminate duplicates Z: 23 19.735 1.960 0.679 0.587 0.864 0.636 CB 1.362 23 residues pruned to eliminate duplicates Z: 88 44.855 2.120 0.626 0.568 0.885 0.575 CB 1.477 88 residues pruned to eliminate duplicates Z: 15 16.719 1.855 0.705 0.660 0.929 0.643 CB 1.312 15 residues pruned to eliminate duplicates Z: 86 48.314 2.125 0.685 0.579 0.918 0.612 CB 1.478 106 residues pruned to eliminate duplicates Z: 12 17.977 1.935 0.600 0.845 1.000 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 24 18.535 1.947 0.558 0.523 0.913 0.478 CB 1.365 24 residues pruned to eliminate duplicates Z: 16 15.593 1.878 0.839 0.652 0.867 0.667 CB 1.167 16 residues pruned to eliminate duplicates Z: 15 20.981 1.904 1.038 0.681 1.000 0.786 CB 1.224 15 residues pruned to eliminate duplicates Z: 9 10.676 2.036 0.347 0.633 0.875 0.625 CB 1.390 9 residues pruned to eliminate duplicates Z: 139 63.564 2.086 0.733 0.594 0.906 0.587 CB 1.511 139 residues pruned to eliminate duplicates Z: 84 48.403 2.152 0.646 0.564 0.940 0.602 CB 1.500 84 residues pruned to eliminate duplicates Z: 83 45.568 2.157 0.630 0.554 0.915 0.598 CB 1.484 83 residues pruned to eliminate duplicates Z: 56 33.620 2.163 0.621 0.445 0.909 0.436 CB 1.506 56 residues pruned to eliminate duplicates Z: 20 16.605 1.992 0.645 0.501 0.842 0.421 CB 1.379 20 residues pruned to eliminate duplicates Z: 60 34.513 2.129 0.617 0.455 0.915 0.525 CB 1.493 60 residues pruned to eliminate duplicates Z: 27 17.305 2.077 0.622 0.465 0.885 0.500 CB 1.180 27 residues pruned to eliminate duplicates Z: 8 17.307 2.107 1.009 0.647 0.857 0.857 CB 1.572 8 residues pruned to eliminate duplicates Z: 55 34.813 2.173 0.587 0.528 0.852 0.556 CB 1.570 55 residues pruned to eliminate duplicates Z: 33 29.003 2.253 0.751 0.413 0.875 0.344 CB 1.627 33 residues pruned to eliminate duplicates Z: 85 44.921 2.172 0.597 0.561 0.905 0.607 CB 1.472 85 residues pruned to eliminate duplicates Z: 60 34.286 2.172 0.501 0.480 0.915 0.559 CB 1.526 60 residues pruned to eliminate duplicates Z: 52 30.236 2.170 0.577 0.482 0.843 0.569 CB 1.494 52 residues pruned to eliminate duplicates Z: 39 28.299 2.226 0.619 0.466 0.895 0.553 CB 1.474 39 residues pruned to eliminate duplicates Z: 131 69.517 2.114 0.756 0.664 0.900 0.654 CB 1.568 131 residues pruned to eliminate duplicates Z: 77 45.242 2.157 0.689 0.528 0.947 0.513 CB 1.462 77 residues pruned to eliminate duplicates Z: 44 33.934 2.279 0.698 0.433 0.907 0.465 CB 1.581 44 residues pruned to eliminate duplicates Z: 71 45.223 2.170 0.678 0.544 0.943 0.614 CB 1.509 71 residues pruned to eliminate duplicates Z: 65 36.799 2.141 0.654 0.453 0.922 0.469 CB 1.479 65 residues pruned to eliminate duplicates Z: 76 44.999 2.160 0.667 0.521 0.973 0.560 CB 1.452 76 residues pruned to eliminate duplicates Z: 48 34.457 2.198 0.687 0.430 0.936 0.468 CB 1.556 48 residues pruned to eliminate duplicates Z: 87 42.656 2.135 0.639 0.531 0.895 0.593 CB 1.423 87 residues pruned to eliminate duplicates Z: 56 37.652 2.202 0.681 0.497 0.927 0.509 CB 1.484 56 residues pruned to eliminate duplicates Z: 90 39.403 2.116 0.571 0.528 0.843 0.551 CB 1.451 90 residues pruned to eliminate duplicates Z: 70 41.733 2.182 0.626 0.522 0.913 0.638 CB 1.518 70 residues pruned to eliminate duplicates Z: 35 28.380 2.210 0.636 0.427 0.912 0.559 CB 1.593 35 residues pruned to eliminate duplicates Z: 69 34.377 2.132 0.567 0.488 0.853 0.500 CB 1.480 69 residues pruned to eliminate duplicates Z: 43 32.773 2.255 0.610 0.406 0.976 0.524 CB 1.574 43 residues pruned to eliminate duplicates Z: 49 33.679 2.187 0.574 0.397 0.979 0.625 CB 1.607 49 residues pruned to eliminate duplicates Z: 71 35.877 2.149 0.561 0.547 0.843 0.514 CB 1.449 71 residues pruned to eliminate duplicates Z: 54 43.273 2.250 0.695 0.543 0.962 0.585 CB 1.553 54 residues pruned to eliminate duplicates Z: 63 42.147 2.194 0.659 0.534 0.919 0.597 CB 1.547 63 residues pruned to eliminate duplicates Z: 70 41.583 2.179 0.694 0.538 0.870 0.551 CB 1.503 70 residues pruned to eliminate duplicates Z: 44 33.625 2.260 0.600 0.444 0.930 0.558 CB 1.614 44 residues pruned to eliminate duplicates Z: 123 64.029 2.121 0.677 0.624 0.918 0.598 CB 1.580 123 residues pruned to eliminate duplicates Z: 44 29.836 2.183 0.620 0.460 0.930 0.512 CB 1.441 44 residues pruned to eliminate duplicates Z: 57 43.579 2.206 0.700 0.543 0.964 0.625 CB 1.544 57 residues pruned to eliminate duplicates Z: 42 36.354 2.293 0.724 0.434 0.927 0.585 CB 1.660 42 residues pruned to eliminate duplicates Z: 71 41.742 2.144 0.766 0.538 0.871 0.571 CB 1.456 71 residues pruned to eliminate duplicates Z: 70 42.513 2.136 0.649 0.515 0.942 0.580 CB 1.520 70 residues pruned to eliminate duplicates Z: 57 40.937 2.178 0.683 0.583 0.929 0.589 CB 1.484 57 residues pruned to eliminate duplicates Z: 70 44.340 2.182 0.692 0.544 0.928 0.594 CB 1.493 70 residues pruned to eliminate duplicates Z: 54 41.925 2.228 0.694 0.535 0.962 0.604 CB 1.532 54 residues pruned to eliminate duplicates Z: 38 35.987 2.071 0.840 0.679 0.946 0.541 CB 1.392 38 residues pruned to eliminate duplicates Z: 85 47.861 2.152 0.670 0.544 0.940 0.571 CB 1.479 85 residues pruned to eliminate duplicates Z: 16 12.259 2.011 0.556 0.401 0.733 0.467 CA 1.531 16 residues pruned to eliminate duplicates Z: 39 31.331 2.096 0.669 0.637 0.842 0.474 CB 1.517 39 residues pruned to eliminate duplicates Z: 85 44.814 2.146 0.706 0.535 0.905 0.571 CB 1.427 85 residues pruned to eliminate duplicates Z: 40 32.516 2.064 0.826 0.637 0.846 0.487 CB 1.436 40 residues pruned to eliminate duplicates Z: 49 38.587 2.113 0.747 0.566 0.917 0.604 CB 1.545 49 residues pruned to eliminate duplicates Z: 69 46.824 2.188 0.738 0.544 0.956 0.618 CB 1.496 69 residues pruned to eliminate duplicates Z: 70 49.420 2.194 0.735 0.544 0.957 0.580 CB 1.565 70 residues pruned to eliminate duplicates Z: 133 68.617 2.101 0.764 0.619 0.939 0.598 CB 1.533 133 residues pruned to eliminate duplicates Z: 99 62.466 2.028 0.847 0.700 0.939 0.653 CB 1.496 99 residues pruned to eliminate duplicates Z: 37 36.710 2.081 0.748 0.652 0.944 0.556 CB 1.545 37 residues pruned to eliminate duplicates Z: 38 31.578 2.047 0.704 0.660 0.892 0.378 CB 1.438 38 residues pruned to eliminate duplicates Z: 34 34.002 2.063 0.826 0.664 0.939 0.545 CB 1.437 34 residues pruned to eliminate duplicates Z: 70 43.688 2.191 0.768 0.517 0.870 0.565 CB 1.535 70 residues pruned to eliminate duplicates Z: 76 52.050 2.176 0.852 0.583 0.933 0.613 CB 1.476 76 residues pruned to eliminate duplicates Z: 43 32.316 2.069 0.804 0.605 0.857 0.524 CB 1.411 43 residues pruned to eliminate duplicates Z: 42 33.866 2.028 0.793 0.600 0.927 0.488 CB 1.426 42 residues pruned to eliminate duplicates Z: 85 51.555 2.183 0.677 0.583 0.952 0.607 CB 1.490 85 residues pruned to eliminate duplicates Z: 116 75.804 2.190 0.852 0.658 0.939 0.643 CB 1.603 116 residues pruned to eliminate duplicates Z: 41 29.936 2.056 0.670 0.627 0.875 0.600 CB 1.398 41 residues pruned to eliminate duplicates Z: 66 50.121 2.194 0.771 0.581 0.969 0.569 CB 1.527 66 residues pruned to eliminate duplicates Z: 119 52.560 2.134 0.646 0.513 0.890 0.559 CB 1.528 146 residues pruned to eliminate duplicates Z: 10 14.360 1.898 0.581 0.735 0.889 0.222 CB 1.453 10 residues pruned to eliminate duplicates Z: 13 8.411 1.913 0.486 0.484 0.750 0.333 CB 1.158 13 residues pruned to eliminate duplicates Z: 38 34.035 2.086 0.786 0.697 0.838 0.595 CB 1.498 38 residues pruned to eliminate duplicates Z: 38 34.649 2.058 0.844 0.650 0.919 0.486 CB 1.420 38 residues pruned to eliminate duplicates Z: 40 35.059 2.058 0.904 0.679 0.872 0.590 CB 1.393 40 residues pruned to eliminate duplicates Z: 12 11.458 1.948 0.286 0.586 0.909 0.545 CA 1.396 12 residues pruned to eliminate duplicates Z: 15 15.215 1.934 0.469 0.575 0.929 0.500 CA 1.433 15 residues pruned to eliminate duplicates Z: 29 30.818 2.182 0.763 0.665 0.857 0.679 CB 1.516 29 residues pruned to eliminate duplicates Z: 93 53.795 2.174 0.722 0.579 0.924 0.533 CB 1.502 93 residues pruned to eliminate duplicates Z: 20 30.965 2.205 1.024 0.658 0.947 0.684 CB 1.451 20 residues pruned to eliminate duplicates Z: 62 57.388 2.025 0.825 0.801 0.967 0.705 CA 1.580 63 residues pruned to eliminate duplicates Z: 17 30.531 2.081 1.097 0.877 0.938 0.688 CA 1.355 17 residues pruned to eliminate duplicates Z: 45 51.690 2.153 0.903 0.788 0.955 0.727 CB 1.547 45 residues pruned to eliminate duplicates Z: 87 50.835 2.145 0.822 0.539 0.884 0.547 CB 1.527 87 residues pruned to eliminate duplicates Z: 53 54.056 2.091 0.792 0.774 0.942 0.692 CA 1.667 53 residues pruned to eliminate duplicates Z: 20 24.701 2.171 0.870 0.655 0.842 0.737 CB 1.436 20 residues pruned to eliminate duplicates Z: 56 48.074 2.083 0.847 0.686 0.927 0.636 CB 1.532 56 residues pruned to eliminate duplicates Z: 65 48.868 1.992 0.769 0.751 0.906 0.656 CB 1.528 65 residues pruned to eliminate duplicates Z: 121 68.773 2.137 0.750 0.634 0.950 0.600 CB 1.558 121 residues pruned to eliminate duplicates Z: 83 65.360 2.115 0.902 0.732 0.951 0.659 CB 1.531 83 residues pruned to eliminate duplicates Z: 25 28.598 2.085 0.829 0.526 0.958 0.625 CA 1.556 25 residues pruned to eliminate duplicates Z: 62 49.823 2.020 0.740 0.776 0.918 0.623 CB 1.550 62 residues pruned to eliminate duplicates Z: 23 28.378 2.042 0.988 0.595 0.909 0.409 CB 1.497 23 residues pruned to eliminate duplicates Z: 89 56.059 2.055 0.740 0.672 0.920 0.534 CB 1.548 89 residues pruned to eliminate duplicates Z: 42 54.562 2.170 0.953 0.802 0.951 0.561 CB 1.624 42 residues pruned to eliminate duplicates Z: 63 46.551 2.034 0.740 0.701 0.919 0.565 CB 1.513 63 residues pruned to eliminate duplicates Z: 49 52.197 2.113 0.818 0.767 0.958 0.625 CB 1.615 49 residues pruned to eliminate duplicates Z: 46 54.587 2.174 1.045 0.783 0.933 0.622 CB 1.528 46 residues pruned to eliminate duplicates Z: 52 53.628 2.098 0.917 0.745 0.941 0.549 CB 1.593 52 residues pruned to eliminate duplicates Z: 55 40.142 1.918 0.754 0.755 0.852 0.574 CB 1.519 55 residues pruned to eliminate duplicates Z: 51 49.061 2.037 0.952 0.724 0.940 0.620 CB 1.517 51 residues pruned to eliminate duplicates Z: 27 39.786 2.104 0.862 0.803 0.923 0.731 CA 1.656 27 residues pruned to eliminate duplicates Z: 129 63.984 2.093 0.660 0.647 0.922 0.555 CB 1.538 129 residues pruned to eliminate duplicates Z: 50 36.231 1.891 0.637 0.728 0.878 0.694 CB 1.552 50 residues pruned to eliminate duplicates Z: 47 39.350 1.901 0.703 0.789 0.978 0.652 CB 1.421 46 residues pruned to eliminate duplicates Z: 31 37.797 2.021 0.723 0.854 0.933 0.667 CA 1.569 31 residues pruned to eliminate duplicates Z: 55 53.805 2.090 0.812 0.763 0.963 0.630 CA 1.590 55 residues pruned to eliminate duplicates Z: 54 49.121 2.073 0.788 0.769 0.906 0.642 CB 1.584 54 residues pruned to eliminate duplicates Z: 37 32.758 1.978 0.712 0.711 0.889 0.639 CA 1.498 37 residues pruned to eliminate duplicates Z: 31 41.334 2.068 0.842 0.827 0.900 0.667 CA 1.658 31 residues pruned to eliminate duplicates Z: 75 51.170 2.001 0.770 0.727 0.905 0.622 CB 1.511 75 residues pruned to eliminate duplicates Z: 26 44.456 2.127 1.040 0.824 0.960 0.560 CB 1.612 26 residues pruned to eliminate duplicates Z: 33 40.380 2.047 0.766 0.779 0.969 0.406 CB 1.593 33 residues pruned to eliminate duplicates Z: 38 37.430 2.000 0.838 0.726 0.892 0.378 CB 1.531 38 residues pruned to eliminate duplicates Z: 34 37.543 1.999 0.759 0.752 0.939 0.485 CA 1.580 34 residues pruned to eliminate duplicates Z: 54 53.354 2.073 0.897 0.767 0.943 0.434 CB 1.560 54 residues pruned to eliminate duplicates Z: 46 44.731 2.087 0.904 0.691 0.889 0.444 CB 1.585 46 residues pruned to eliminate duplicates Z: 50 53.317 2.119 0.899 0.759 0.939 0.490 CB 1.601 50 residues pruned to eliminate duplicates Z: 15 9.601 1.721 0.171 0.488 0.929 0.500 CB 1.388 15 residues pruned to eliminate duplicates Z: 43 46.842 2.145 0.962 0.736 0.905 0.333 CB 1.536 43 residues pruned to eliminate duplicates Z: 60 44.628 1.969 0.746 0.735 0.932 0.458 CB 1.468 60 residues pruned to eliminate duplicates Z: 18 12.413 1.766 0.351 0.637 0.765 0.353 N 1.451 18 residues pruned to eliminate duplicates Z: 10 10.854 1.963 0.338 0.650 0.778 0.222 CA 1.540 10 residues pruned to eliminate duplicates Z: 47 39.145 2.026 0.890 0.648 0.913 0.413 CB 1.438 47 residues pruned to eliminate duplicates Z: 52 41.384 2.019 0.835 0.690 0.902 0.471 CB 1.458 52 residues pruned to eliminate duplicates Z: 47 42.170 1.923 0.809 0.783 0.913 0.457 CB 1.526 47 residues pruned to eliminate duplicates Z: 19 12.509 1.585 0.508 0.752 0.833 0.611 CB 1.183 19 residues pruned to eliminate duplicates Z: 48 37.178 1.877 0.713 0.767 0.872 0.468 CB 1.525 48 residues pruned to eliminate duplicates Z: 74 47.711 1.949 0.797 0.690 0.918 0.493 CB 1.460 74 residues pruned to eliminate duplicates Z: 36 17.426 1.698 0.492 0.578 0.857 0.543 CB 1.259 32 residues pruned to eliminate duplicates Z: 17 13.467 1.589 0.409 0.781 1.000 0.625 CB 1.175 17 residues pruned to eliminate duplicates Z: 21 14.409 1.599 0.529 0.648 0.900 0.450 CB 1.275 21 residues pruned to eliminate duplicates Z: 64 49.656 1.969 0.897 0.782 0.905 0.397 CB 1.444 64 residues pruned to eliminate duplicates Z: 11 8.693 1.563 0.706 0.632 0.700 0.300 CB 1.302 11 residues pruned to eliminate duplicates Z: 17 12.654 1.616 0.400 0.755 0.938 0.500 CB 1.189 17 residues pruned to eliminate duplicates Z: 20 10.869 1.565 0.634 0.671 0.842 0.368 CB 0.988 20 residues pruned to eliminate duplicates Z: 96 53.967 2.007 0.836 0.680 0.895 0.484 CB 1.423 96 residues pruned to eliminate duplicates Z: 34 17.462 1.725 0.456 0.593 0.879 0.394 CB 1.260 34 residues pruned to eliminate duplicates Z: 74 43.774 1.975 0.723 0.666 0.890 0.315 CB 1.450 74 residues pruned to eliminate duplicates Z: 17 13.091 1.621 0.496 0.780 0.938 0.625 CB 1.124 17 residues pruned to eliminate duplicates Z: 59 39.880 1.947 0.598 0.734 0.914 0.517 CB 1.492 59 residues pruned to eliminate duplicates Z: 13 14.896 1.939 0.363 0.577 1.000 0.833 CB 1.511 13 residues pruned to eliminate duplicates Z: 7 3.475 1.414 0.087 0.509 1.000 0.833 CB 0.915 7 residues pruned to eliminate duplicates Z: 14 10.328 1.874 0.264 0.527 0.923 0.615 CB 1.275 14 residues pruned to eliminate duplicates Z: 14 11.827 1.840 0.371 0.520 0.923 0.615 CB 1.381 14 residues pruned to eliminate duplicates Z: 14 8.313 1.790 0.322 0.453 0.692 0.462 CB 1.477 14 residues pruned to eliminate duplicates Z: 13 9.924 1.940 0.145 0.522 0.833 0.667 CB 1.514 13 residues pruned to eliminate duplicates Z: 12 10.400 1.996 0.137 0.532 0.909 0.545 CA 1.472 12 residues pruned to eliminate duplicates Z: 13 15.460 1.886 0.521 0.583 1.000 0.500 CB 1.436 13 residues pruned to eliminate duplicates Z: 10 18.164 1.864 0.670 0.856 1.000 0.556 CA 1.435 10 residues pruned to eliminate duplicates Z: 14 12.336 1.981 0.391 0.459 0.923 0.385 CB 1.403 14 residues pruned to eliminate duplicates Z: 10 13.916 1.860 0.592 0.673 0.889 0.556 CB 1.503 10 residues pruned to eliminate duplicates 579 residues left after pruning, divided into chains as follows: A: 14 B: 161 C: 8 D: 46 E: 11 F: 22 G: 29 H: 6 I: 51 J: 231 CC for partial structure against native data = 39.64 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.492, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.555, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.662, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.669, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.677, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.685, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.687, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.688, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.689, Connect. = 0.805 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3598 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 849 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 15.733 2.058 0.511 0.773 0.909 0.636 CB 1.318 B: 11 22.481 2.284 0.478 0.827 1.000 0.500 CB 1.587 12 residues pruned to eliminate duplicates C: 28 64.561 2.419 1.052 0.912 0.963 0.630 CB 1.841 D: 45 61.089 2.247 0.826 0.840 0.955 0.614 CA 1.755 28 residues pruned to eliminate duplicates E: 30 58.765 2.302 1.018 0.905 0.966 0.448 CA 1.731 30 residues pruned to eliminate duplicates F: 12 14.664 2.121 0.614 0.840 0.909 0.636 CB 1.061 12 residues pruned to eliminate duplicates G: 15 36.888 2.288 0.952 0.945 1.000 0.929 CA 1.528 H: 16 34.841 2.170 0.722 0.897 1.000 0.933 CB 1.724 I: 27 55.856 2.409 0.886 0.926 1.000 0.808 CA 1.691 27 residues pruned to eliminate duplicates J: 28 58.800 2.406 0.876 0.952 1.000 0.926 CA 1.727 28 residues pruned to eliminate duplicates K: 15 26.360 2.185 0.835 0.767 0.929 0.643 CB 1.493 L: 16 37.511 2.229 0.975 0.925 1.000 0.733 CA 1.543 15 residues pruned to eliminate duplicates M: 13 23.411 2.136 0.653 0.811 0.917 0.417 CB 1.592 13 residues pruned to eliminate duplicates N: 25 60.057 2.475 1.090 0.901 0.958 0.417 CB 1.765 25 residues pruned to eliminate duplicates O: 27 65.125 2.464 1.015 0.929 0.962 0.654 CA 1.872 27 residues pruned to eliminate duplicates P: 6 20.147 2.449 0.592 0.761 1.000 0.800 N 1.833 Q: 28 59.479 2.378 0.961 0.946 1.000 0.852 CA 1.698 28 residues pruned to eliminate duplicates R: 28 61.400 2.296 1.154 0.927 0.963 0.481 CB 1.738 28 residues pruned to eliminate duplicates S: 27 63.645 2.390 0.970 0.947 1.000 0.731 CB 1.832 28 residues pruned to eliminate duplicates T: 66 35.276 2.098 0.663 0.466 0.938 0.600 CB 1.383 11 residues pruned to eliminate duplicates U: 10 17.323 1.945 0.459 0.838 1.000 0.889 CB 1.521 V: 30 55.592 2.298 0.978 0.894 1.000 0.759 CA 1.629 30 residues pruned to eliminate duplicates W: 15 35.973 2.184 0.928 0.913 0.929 0.929 CA 1.740 15 residues pruned to eliminate duplicates X: 11 17.758 2.012 0.488 0.880 1.000 0.600 CB 1.359 Y: 45 68.421 2.245 0.997 0.875 0.955 0.591 CB 1.753 44 residues pruned to eliminate duplicates Z: 21 25.076 1.868 0.464 0.910 1.000 0.700 CB 1.455 Z: 22 19.296 1.834 0.414 0.644 0.905 0.667 CB 1.570 Z: 14 33.010 2.354 1.101 0.878 0.923 0.615 CB 1.455 15 residues pruned to eliminate duplicates Z: 15 15.191 1.907 0.380 0.925 1.000 0.857 CB 1.083 15 residues pruned to eliminate duplicates Z: 15 33.198 2.237 1.029 0.883 1.000 0.643 CB 1.414 14 residues pruned to eliminate duplicates Z: 10 8.256 1.850 -0.079 0.674 0.889 0.778 N 1.548 Z: 19 27.351 1.973 0.712 0.748 0.889 0.722 O 1.721 19 residues pruned to eliminate duplicates Z: 16 25.174 2.049 0.762 0.934 1.000 0.867 CB 1.256 16 residues pruned to eliminate duplicates Z: 11 14.591 1.881 0.360 0.849 1.000 0.700 CA 1.338 11 residues pruned to eliminate duplicates Z: 16 25.752 2.033 0.778 0.927 1.000 0.733 CA 1.289 Z: 14 36.059 2.327 1.016 0.910 1.000 0.923 CB 1.512 15 residues pruned to eliminate duplicates Z: 16 33.025 2.216 0.926 0.894 0.933 0.800 CA 1.536 16 residues pruned to eliminate duplicates Z: 45 63.932 2.222 0.996 0.849 0.932 0.409 CB 1.729 45 residues pruned to eliminate duplicates Z: 16 29.603 2.025 0.936 0.892 1.000 0.733 CA 1.401 16 residues pruned to eliminate duplicates Z: 16 36.123 2.259 1.085 0.883 0.933 0.600 CB 1.535 14 residues pruned to eliminate duplicates Z: 14 43.628 2.359 0.913 0.931 1.000 0.846 CA 1.874 16 residues pruned to eliminate duplicates Z: 29 38.494 2.141 0.625 0.802 0.964 0.821 CA 1.665 30 residues pruned to eliminate duplicates Z: 15 34.076 2.275 0.836 0.944 1.000 0.929 CB 1.511 15 residues pruned to eliminate duplicates Z: 16 30.866 2.264 0.725 0.912 1.000 0.533 CB 1.446 16 residues pruned to eliminate duplicates Z: 15 37.076 2.198 0.935 0.917 0.929 0.857 N 1.771 15 residues pruned to eliminate duplicates Z: 50 35.452 2.182 0.663 0.465 0.939 0.571 CB 1.541 50 residues pruned to eliminate duplicates Z: 44 25.424 2.013 0.501 0.457 0.884 0.581 CA 1.518 19 residues pruned to eliminate duplicates Z: 30 56.805 2.291 0.960 0.903 1.000 0.828 CA 1.675 30 residues pruned to eliminate duplicates Z: 15 28.931 2.235 0.899 0.766 0.929 0.643 CB 1.549 15 residues pruned to eliminate duplicates Z: 8 19.204 2.450 0.520 0.710 1.000 0.714 CA 1.611 7 residues pruned to eliminate duplicates Z: 16 27.709 2.032 0.951 0.895 1.000 0.733 CA 1.293 16 residues pruned to eliminate duplicates Z: 44 59.872 2.272 0.835 0.842 0.907 0.628 CA 1.800 44 residues pruned to eliminate duplicates Z: 16 30.921 2.036 1.077 0.939 1.000 1.000 CA 1.312 16 residues pruned to eliminate duplicates Z: 10 17.726 2.005 0.843 0.803 1.000 0.778 CB 1.227 9 residues pruned to eliminate duplicates Z: 10 20.695 2.100 0.888 0.892 1.000 0.889 CB 1.249 11 residues pruned to eliminate duplicates Z: 26 65.352 2.456 1.084 0.958 1.000 0.800 CA 1.751 25 residues pruned to eliminate duplicates Z: 16 26.247 1.942 0.733 0.884 1.000 0.867 CA 1.455 Z: 25 37.123 2.083 0.730 0.950 1.000 0.833 CA 1.450 Z: 16 28.867 2.031 0.664 0.905 1.000 0.867 N 1.570 16 residues pruned to eliminate duplicates Z: 44 62.415 2.250 0.885 0.825 0.930 0.581 CA 1.821 44 residues pruned to eliminate duplicates Z: 24 60.541 2.460 0.950 0.961 1.000 0.870 CA 1.801 24 residues pruned to eliminate duplicates Z: 11 10.902 1.993 0.396 0.600 0.900 0.600 CB 1.252 11 residues pruned to eliminate duplicates Z: 12 16.000 1.865 0.452 0.842 1.000 0.727 CA 1.327 Z: 11 18.462 1.831 0.675 0.832 1.000 0.700 N 1.430 10 residues pruned to eliminate duplicates Z: 9 20.172 2.285 0.727 0.740 1.000 0.625 CA 1.457 7 residues pruned to eliminate duplicates Z: 9 19.045 2.275 0.487 0.642 1.000 0.625 CA 1.743 9 residues pruned to eliminate duplicates Z: 23 35.920 2.112 0.731 0.922 0.909 0.500 CA 1.620 23 residues pruned to eliminate duplicates Z: 11 17.149 1.872 0.625 0.844 1.000 0.600 CA 1.327 11 residues pruned to eliminate duplicates Z: 29 38.658 1.988 0.901 0.921 0.964 0.607 CA 1.411 25 residues pruned to eliminate duplicates Z: 28 60.562 2.314 1.101 0.943 0.963 0.370 CB 1.726 28 residues pruned to eliminate duplicates Z: 7 5.532 1.719 0.251 0.594 0.833 0.500 CB 1.152 7 residues pruned to eliminate duplicates Z: 28 57.080 2.376 0.920 0.942 1.000 0.926 CA 1.670 28 residues pruned to eliminate duplicates Z: 22 20.624 1.891 0.473 0.687 0.905 0.619 CB 1.504 20 residues pruned to eliminate duplicates Z: 12 19.131 1.950 0.828 0.792 0.909 0.364 CB 1.378 Z: 14 25.186 2.298 0.507 0.874 1.000 0.923 CB 1.468 14 residues pruned to eliminate duplicates Z: 16 24.228 2.053 0.846 0.949 1.000 0.933 CB 1.140 16 residues pruned to eliminate duplicates Z: 16 32.094 2.227 0.811 0.925 0.933 0.867 CA 1.545 16 residues pruned to eliminate duplicates Z: 45 67.584 2.265 0.903 0.855 1.000 0.818 CA 1.744 45 residues pruned to eliminate duplicates Z: 15 18.798 2.021 0.566 0.905 1.000 0.786 CB 1.130 15 residues pruned to eliminate duplicates Z: 26 69.130 2.465 1.334 0.924 0.960 0.720 CB 1.757 26 residues pruned to eliminate duplicates Z: 12 7.912 1.953 0.645 0.475 0.818 0.455 CB 0.931 10 residues pruned to eliminate duplicates Z: 11 19.986 2.238 0.424 0.871 1.000 0.700 CB 1.447 11 residues pruned to eliminate duplicates Z: 28 56.721 2.360 1.034 0.902 0.963 0.889 CA 1.684 28 residues pruned to eliminate duplicates Z: 18 27.392 2.089 0.660 0.884 0.941 0.706 CA 1.470 18 residues pruned to eliminate duplicates Z: 29 48.446 2.291 0.831 0.910 0.964 0.929 CA 1.606 28 residues pruned to eliminate duplicates Z: 7 18.795 2.222 0.756 0.858 1.000 0.667 N 1.448 7 residues pruned to eliminate duplicates Z: 11 20.011 2.034 0.702 0.816 1.000 0.600 CB 1.390 11 residues pruned to eliminate duplicates Z: 22 27.276 1.862 0.453 0.914 1.000 0.952 CA 1.557 21 residues pruned to eliminate duplicates Z: 39 31.988 2.139 0.670 0.699 0.868 0.395 CB 1.396 Z: 30 49.708 2.298 0.804 0.901 0.966 0.724 CA 1.646 30 residues pruned to eliminate duplicates Z: 21 16.172 1.915 0.398 0.620 0.850 0.750 CB 1.419 21 residues pruned to eliminate duplicates Z: 22 26.868 1.867 0.437 0.869 1.000 0.762 CA 1.596 23 residues pruned to eliminate duplicates Z: 42 29.620 2.068 0.527 0.607 0.902 0.683 CB 1.466 42 residues pruned to eliminate duplicates Z: 15 36.185 2.126 0.903 0.889 1.000 0.857 CA 1.721 16 residues pruned to eliminate duplicates Z: 24 26.759 1.936 0.620 0.883 0.957 0.739 CA 1.344 24 residues pruned to eliminate duplicates Z: 39 35.103 2.157 0.710 0.581 0.921 0.632 CB 1.550 45 residues pruned to eliminate duplicates Z: 11 24.250 2.115 0.703 0.810 1.000 0.800 CB 1.624 12 residues pruned to eliminate duplicates Z: 19 27.257 1.897 0.687 0.809 1.000 0.778 CA 1.534 19 residues pruned to eliminate duplicates Z: 8 13.147 1.950 0.231 0.852 1.000 1.000 CA 1.530 Z: 17 24.601 1.942 0.804 0.903 0.938 0.750 CA 1.335 17 residues pruned to eliminate duplicates Z: 45 70.115 2.272 1.005 0.847 0.977 0.636 CA 1.763 45 residues pruned to eliminate duplicates Z: 10 16.956 1.881 0.415 0.899 1.000 1.000 CB 1.518 10 residues pruned to eliminate duplicates Z: 18 26.962 1.986 0.546 0.911 0.941 0.765 CA 1.604 18 residues pruned to eliminate duplicates Z: 10 23.059 2.139 0.935 0.909 1.000 0.556 CB 1.318 10 residues pruned to eliminate duplicates Z: 14 38.665 2.283 0.728 0.927 1.000 0.846 CA 1.904 14 residues pruned to eliminate duplicates Z: 46 62.416 2.255 0.928 0.819 0.911 0.711 CA 1.781 46 residues pruned to eliminate duplicates Z: 16 30.590 2.034 0.792 0.865 1.000 0.800 N 1.587 16 residues pruned to eliminate duplicates Z: 22 28.703 1.870 0.551 0.924 0.952 0.762 CB 1.592 22 residues pruned to eliminate duplicates Z: 10 17.852 1.933 0.852 0.878 1.000 0.778 CB 1.206 10 residues pruned to eliminate duplicates Z: 27 54.733 2.395 0.892 0.933 0.962 0.885 CA 1.719 27 residues pruned to eliminate duplicates Z: 15 34.018 2.240 1.085 0.895 1.000 0.571 CB 1.395 15 residues pruned to eliminate duplicates Z: 22 29.766 1.873 0.518 0.893 1.000 0.857 CA 1.641 22 residues pruned to eliminate duplicates Z: 67 37.564 2.153 0.561 0.524 0.879 0.591 CB 1.529 72 residues pruned to eliminate duplicates Z: 13 15.807 1.971 0.543 0.681 0.917 0.167 CB 1.387 Z: 12 17.980 1.937 0.673 0.833 0.909 0.818 CB 1.381 11 residues pruned to eliminate duplicates Z: 10 13.423 1.825 0.272 0.873 0.889 0.889 CA 1.580 10 residues pruned to eliminate duplicates Z: 10 13.461 1.997 0.219 0.779 1.000 0.778 CA 1.441 10 residues pruned to eliminate duplicates Z: 9 14.600 1.993 0.100 0.875 1.000 1.000 CA 1.713 9 residues pruned to eliminate duplicates Z: 12 15.859 2.030 0.510 0.794 0.909 0.636 CB 1.326 12 residues pruned to eliminate duplicates Z: 18 21.516 1.976 0.464 0.863 0.941 0.765 CA 1.406 18 residues pruned to eliminate duplicates Z: 12 21.659 2.180 0.735 0.914 0.909 0.545 CB 1.344 12 residues pruned to eliminate duplicates Z: 9 12.157 2.233 0.409 0.878 0.875 0.750 CB 1.134 9 residues pruned to eliminate duplicates Z: 17 26.593 2.161 0.559 0.901 1.000 0.938 CB 1.408 17 residues pruned to eliminate duplicates Z: 48 36.318 2.223 0.681 0.441 0.915 0.553 CB 1.647 49 residues pruned to eliminate duplicates Z: 14 36.337 2.303 0.760 0.938 1.000 1.000 CA 1.729 14 residues pruned to eliminate duplicates Z: 25 39.280 2.086 0.900 0.955 0.917 0.625 CA 1.517 25 residues pruned to eliminate duplicates Z: 15 39.902 2.259 1.087 0.924 1.000 0.786 CB 1.589 15 residues pruned to eliminate duplicates Z: 9 18.304 2.132 0.319 0.888 1.000 0.875 CA 1.658 9 residues pruned to eliminate duplicates Z: 10 11.896 1.850 0.150 0.863 0.889 0.778 CB 1.539 10 residues pruned to eliminate duplicates Z: 12 21.832 2.107 0.897 0.794 0.818 0.727 CB 1.556 12 residues pruned to eliminate duplicates Z: 13 17.378 1.775 0.708 0.811 1.000 0.750 CB 1.262 12 residues pruned to eliminate duplicates Z: 16 30.410 2.209 0.906 0.918 1.000 0.867 CB 1.315 16 residues pruned to eliminate duplicates Z: 6 7.014 1.583 0.808 0.664 0.800 0.600 CA 1.177 6 residues pruned to eliminate duplicates Z: 30 39.715 2.165 0.858 0.690 0.931 0.586 CB 1.655 25 residues pruned to eliminate duplicates Z: 9 9.949 2.048 0.196 0.573 0.875 0.750 CA 1.529 9 residues pruned to eliminate duplicates Z: 7 9.876 2.086 0.558 0.781 0.667 0.500 CB 1.452 7 residues pruned to eliminate duplicates Z: 12 18.732 1.963 0.752 0.614 0.909 0.636 CA 1.621 12 residues pruned to eliminate duplicates Z: 9 11.499 1.980 0.222 0.801 0.875 0.875 CB 1.476 9 residues pruned to eliminate duplicates Z: 6 5.580 1.755 0.052 0.753 0.800 0.800 CA 1.348 Z: 12 13.796 1.966 0.561 0.780 0.727 0.545 CB 1.456 12 residues pruned to eliminate duplicates Z: 15 34.882 2.099 1.066 0.863 1.000 0.857 CA 1.577 15 residues pruned to eliminate duplicates Z: 64 36.028 2.073 0.533 0.524 0.905 0.603 CB 1.541 52 residues pruned to eliminate duplicates Z: 12 15.628 1.739 0.640 0.824 1.000 0.727 CB 1.248 Z: 19 14.439 1.995 0.495 0.457 0.778 0.500 N 1.532 19 residues pruned to eliminate duplicates Z: 15 35.240 2.130 0.809 0.873 1.000 0.786 CB 1.781 15 residues pruned to eliminate duplicates Z: 14 42.640 2.331 0.993 0.919 1.000 0.846 CA 1.794 14 residues pruned to eliminate duplicates Z: 57 34.506 2.202 0.531 0.473 0.875 0.607 CB 1.606 43 residues pruned to eliminate duplicates Z: 14 25.956 2.114 0.870 0.860 0.923 0.615 CA 1.451 14 residues pruned to eliminate duplicates Z: 6 6.675 1.984 0.387 0.699 0.600 0.200 O 1.508 6 residues pruned to eliminate duplicates Z: 10 26.907 2.401 0.687 0.935 1.000 0.889 CB 1.543 10 residues pruned to eliminate duplicates Z: 28 37.885 2.050 0.742 0.937 1.000 0.704 CA 1.421 28 residues pruned to eliminate duplicates Z: 10 18.005 1.918 0.658 0.791 1.000 0.667 CA 1.462 11 residues pruned to eliminate duplicates Z: 48 49.390 2.147 0.778 0.703 0.936 0.638 CB 1.675 47 residues pruned to eliminate duplicates Z: 43 38.407 1.935 0.603 0.843 0.976 0.738 CA 1.457 29 residues pruned to eliminate duplicates Z: 18 24.093 2.044 0.414 0.855 1.000 0.706 CA 1.493 18 residues pruned to eliminate duplicates Z: 77 39.009 2.127 0.497 0.480 0.908 0.618 CB 1.580 75 residues pruned to eliminate duplicates Z: 11 13.563 1.793 0.607 0.697 1.000 0.400 CB 1.243 11 residues pruned to eliminate duplicates Z: 50 45.008 2.098 0.739 0.691 0.939 0.714 CB 1.577 50 residues pruned to eliminate duplicates Z: 13 14.960 1.663 0.664 0.897 0.917 0.833 CB 1.219 13 residues pruned to eliminate duplicates Z: 16 30.926 2.059 0.893 0.926 1.000 0.800 CA 1.437 16 residues pruned to eliminate duplicates Z: 30 37.041 2.061 0.697 0.888 0.931 0.655 CA 1.522 30 residues pruned to eliminate duplicates Z: 14 49.669 2.316 1.278 0.935 1.000 0.846 CB 1.820 14 residues pruned to eliminate duplicates Z: 16 20.383 2.021 0.795 0.914 1.000 0.800 CB 1.026 16 residues pruned to eliminate duplicates Z: 27 33.360 2.088 0.678 0.943 0.923 0.846 CA 1.402 27 residues pruned to eliminate duplicates Z: 42 32.719 1.905 0.594 0.840 0.878 0.732 CA 1.431 41 residues pruned to eliminate duplicates Z: 11 9.982 1.755 0.116 0.858 0.900 0.800 N 1.318 11 residues pruned to eliminate duplicates Z: 13 16.434 1.845 0.456 0.883 1.000 0.833 CB 1.277 Z: 46 37.590 1.913 0.581 0.841 0.933 0.667 CA 1.481 45 residues pruned to eliminate duplicates Z: 16 28.211 2.202 0.783 0.935 1.000 0.867 CB 1.293 16 residues pruned to eliminate duplicates Z: 13 42.192 2.333 0.991 0.920 1.000 0.667 CA 1.847 13 residues pruned to eliminate duplicates Z: 56 28.967 2.153 0.587 0.395 0.873 0.455 CB 1.463 43 residues pruned to eliminate duplicates Z: 29 22.280 2.118 0.524 0.466 0.893 0.571 CB 1.514 29 residues pruned to eliminate duplicates Z: 26 26.928 2.134 0.624 0.675 0.960 0.640 CB 1.378 26 residues pruned to eliminate duplicates Z: 13 15.513 1.759 0.543 0.821 1.000 0.750 CB 1.249 13 residues pruned to eliminate duplicates Z: 7 12.029 2.104 0.787 0.769 0.667 0.333 CB 1.545 7 residues pruned to eliminate duplicates Z: 20 26.228 1.801 0.724 0.895 0.947 0.632 CA 1.467 20 residues pruned to eliminate duplicates Z: 9 11.317 2.018 0.256 0.788 0.875 0.625 CB 1.400 9 residues pruned to eliminate duplicates Z: 10 18.041 1.940 0.952 0.880 1.000 0.444 CB 1.150 10 residues pruned to eliminate duplicates Z: 28 40.253 2.082 0.803 0.924 0.963 0.852 CA 1.505 28 residues pruned to eliminate duplicates Z: 14 38.984 2.271 1.328 0.940 1.000 0.769 CB 1.420 14 residues pruned to eliminate duplicates Z: 9 13.341 1.957 0.461 0.706 0.875 0.625 C 1.563 9 residues pruned to eliminate duplicates Z: 14 33.996 2.113 0.915 0.870 1.000 0.846 CA 1.701 14 residues pruned to eliminate duplicates Z: 17 16.740 1.946 0.365 0.923 0.938 0.875 CA 1.181 17 residues pruned to eliminate duplicates Z: 20 30.203 1.955 0.649 0.942 0.947 0.842 CB 1.572 20 residues pruned to eliminate duplicates Z: 12 21.877 1.970 0.684 0.926 1.000 0.909 CB 1.394 Z: 14 36.310 2.154 0.959 0.910 1.000 1.000 N 1.693 14 residues pruned to eliminate duplicates Z: 12 20.849 1.945 0.539 0.865 1.000 0.909 CB 1.537 12 residues pruned to eliminate duplicates Z: 11 18.327 1.886 0.528 0.901 1.000 1.000 CA 1.435 10 residues pruned to eliminate duplicates Z: 10 21.613 1.933 0.727 0.885 1.000 0.889 CB 1.558 11 residues pruned to eliminate duplicates Z: 27 63.813 2.401 1.119 0.950 0.962 0.423 CB 1.765 27 residues pruned to eliminate duplicates Z: 7 5.682 1.606 1.170 0.295 0.833 0.500 CB 1.004 Z: 16 27.232 2.215 0.709 0.932 1.000 0.733 CB 1.297 16 residues pruned to eliminate duplicates Z: 9 12.151 2.091 -0.066 0.909 1.000 1.000 CA 1.562 10 residues pruned to eliminate duplicates Z: 27 34.386 2.094 0.717 0.925 0.923 0.769 CA 1.425 27 residues pruned to eliminate duplicates Z: 46 27.444 2.177 0.520 0.429 0.889 0.578 CB 1.497 46 residues pruned to eliminate duplicates Z: 20 16.016 1.983 0.668 0.561 0.737 0.579 CB 1.421 20 residues pruned to eliminate duplicates Z: 13 8.298 1.742 0.453 0.403 0.833 0.500 CA 1.258 13 residues pruned to eliminate duplicates Z: 12 13.247 2.007 0.283 0.773 0.909 0.818 CA 1.340 12 residues pruned to eliminate duplicates Z: 12 19.873 1.924 0.576 0.855 1.000 0.818 CB 1.458 12 residues pruned to eliminate duplicates Z: 15 30.663 2.052 0.784 0.825 1.000 0.857 CA 1.690 15 residues pruned to eliminate duplicates Z: 16 26.561 2.158 0.601 0.906 1.000 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 12 3.408 1.620 0.448 0.205 0.545 0.273 CB 1.139 12 residues pruned to eliminate duplicates Z: 13 17.866 1.835 0.406 0.902 1.000 1.000 CB 1.425 13 residues pruned to eliminate duplicates Z: 21 23.335 1.869 0.355 0.899 0.950 0.950 CB 1.550 21 residues pruned to eliminate duplicates Z: 28 39.209 2.054 0.789 0.918 0.889 0.296 CA 1.629 28 residues pruned to eliminate duplicates Z: 6 17.278 2.379 0.606 0.646 1.000 0.600 CA 1.765 6 residues pruned to eliminate duplicates Z: 20 30.854 1.952 0.663 0.916 1.000 0.684 CB 1.540 20 residues pruned to eliminate duplicates Z: 52 49.276 2.080 0.679 0.735 0.961 0.706 CB 1.665 52 residues pruned to eliminate duplicates Z: 10 13.934 1.806 0.735 0.789 0.778 0.444 CB 1.478 10 residues pruned to eliminate duplicates Z: 16 38.881 2.167 1.046 0.910 0.933 0.333 N 1.721 16 residues pruned to eliminate duplicates Z: 15 33.621 2.105 0.999 0.876 0.929 0.857 N 1.671 15 residues pruned to eliminate duplicates Z: 9 18.309 2.184 0.200 0.918 1.000 1.000 CB 1.742 9 residues pruned to eliminate duplicates Z: 14 30.360 2.139 0.728 0.898 1.000 0.923 N 1.630 14 residues pruned to eliminate duplicates Z: 12 14.865 1.865 0.577 0.867 0.909 0.727 CB 1.226 12 residues pruned to eliminate duplicates Z: 16 43.113 2.188 1.222 0.893 0.933 0.867 N 1.762 16 residues pruned to eliminate duplicates Z: 45 39.795 1.934 0.583 0.857 0.932 0.682 CA 1.550 45 residues pruned to eliminate duplicates Z: 13 15.582 1.752 0.756 0.767 1.000 0.667 CA 1.153 13 residues pruned to eliminate duplicates Z: 28 59.090 2.404 1.001 0.913 0.963 0.556 CA 1.738 28 residues pruned to eliminate duplicates Z: 6 3.383 1.567 -0.090 0.838 0.800 0.800 CB 0.991 6 residues pruned to eliminate duplicates Z: 7 9.344 1.619 0.722 0.587 1.000 0.667 CB 1.258 7 residues pruned to eliminate duplicates Z: 13 11.291 1.651 0.332 0.827 0.917 0.750 CB 1.218 10 residues pruned to eliminate duplicates Z: 15 9.642 1.697 0.432 0.804 1.000 0.857 CB 0.814 15 residues pruned to eliminate duplicates Z: 9 14.175 2.041 0.264 0.820 1.000 0.875 CA 1.472 9 residues pruned to eliminate duplicates Z: 46 65.534 2.205 0.954 0.846 0.978 0.578 CA 1.723 47 residues pruned to eliminate duplicates Z: 9 14.826 2.062 0.376 0.908 1.000 0.750 CB 1.311 9 residues pruned to eliminate duplicates Z: 13 16.955 1.959 0.713 0.802 0.917 0.667 CB 1.222 13 residues pruned to eliminate duplicates Z: 44 35.014 1.912 0.605 0.848 0.930 0.651 CA 1.388 44 residues pruned to eliminate duplicates Z: 14 11.449 1.954 0.454 0.441 0.923 0.538 CB 1.287 14 residues pruned to eliminate duplicates Z: 10 19.274 2.059 0.811 0.926 1.000 0.778 CB 1.209 10 residues pruned to eliminate duplicates Z: 10 13.479 1.942 0.362 0.790 0.889 0.778 CB 1.481 10 residues pruned to eliminate duplicates Z: 11 14.206 1.908 0.410 0.802 0.900 0.800 CB 1.424 11 residues pruned to eliminate duplicates Z: 18 30.422 1.920 0.904 0.816 0.941 0.588 CB 1.630 18 residues pruned to eliminate duplicates Z: 7 4.825 1.769 0.000 0.478 0.833 0.333 CA 1.365 7 residues pruned to eliminate duplicates Z: 6 18.253 2.346 0.471 0.856 1.000 0.400 CB 1.745 9 residues pruned to eliminate duplicates Z: 14 38.582 2.167 1.057 0.918 1.000 0.769 N 1.692 14 residues pruned to eliminate duplicates Z: 9 18.080 2.118 0.380 0.855 1.000 1.000 CA 1.614 9 residues pruned to eliminate duplicates Z: 14 37.362 2.171 1.066 0.929 1.000 0.923 N 1.618 14 residues pruned to eliminate duplicates Z: 41 35.731 2.052 0.733 0.651 0.925 0.575 CA 1.493 26 residues pruned to eliminate duplicates Z: 8 10.691 2.014 0.111 0.805 1.000 0.429 CB 1.384 8 residues pruned to eliminate duplicates Z: 10 15.723 1.967 0.365 0.747 1.000 0.667 CA 1.566 10 residues pruned to eliminate duplicates Z: 13 12.076 1.658 0.523 0.842 1.000 0.750 CB 1.029 13 residues pruned to eliminate duplicates Z: 15 8.180 1.983 0.469 0.280 0.643 0.500 CA 1.497 15 residues pruned to eliminate duplicates Z: 17 31.377 2.053 0.778 0.885 1.000 0.750 CB 1.550 17 residues pruned to eliminate duplicates Z: 7 17.272 2.424 0.388 0.707 1.000 1.000 CA 1.737 7 residues pruned to eliminate duplicates Z: 45 72.599 2.267 1.069 0.838 0.977 0.727 CA 1.784 45 residues pruned to eliminate duplicates Z: 73 36.854 2.126 0.570 0.496 0.917 0.583 CB 1.426 71 residues pruned to eliminate duplicates Z: 11 22.568 1.954 0.791 0.920 1.000 1.000 N 1.436 15 residues pruned to eliminate duplicates Z: 16 35.404 2.148 1.056 0.898 0.933 0.467 CA 1.586 16 residues pruned to eliminate duplicates Z: 10 13.123 1.922 0.287 0.833 1.000 0.778 CA 1.327 10 residues pruned to eliminate duplicates Z: 28 40.336 2.080 0.744 0.935 0.963 0.741 CA 1.549 28 residues pruned to eliminate duplicates Z: 15 18.963 2.100 0.667 0.594 0.929 0.357 CB 1.425 14 residues pruned to eliminate duplicates Z: 6 9.358 1.937 0.188 0.711 1.000 0.800 CA 1.502 6 residues pruned to eliminate duplicates Z: 17 28.198 1.988 0.884 0.896 1.000 0.812 CA 1.349 17 residues pruned to eliminate duplicates Z: 17 24.697 1.920 0.627 0.843 1.000 0.812 CA 1.471 17 residues pruned to eliminate duplicates Z: 43 32.786 2.000 0.628 0.642 0.929 0.643 CB 1.464 33 residues pruned to eliminate duplicates Z: 28 42.958 2.078 0.859 0.942 0.926 0.519 CA 1.604 28 residues pruned to eliminate duplicates Z: 56 42.074 2.148 0.641 0.679 0.891 0.691 CB 1.532 57 residues pruned to eliminate duplicates Z: 16 21.072 2.008 0.760 0.935 1.000 1.000 CB 1.073 16 residues pruned to eliminate duplicates Z: 77 35.835 2.061 0.737 0.441 0.868 0.461 CB 1.406 77 residues pruned to eliminate duplicates Z: 12 20.561 1.907 0.635 0.870 1.000 1.000 CB 1.452 12 residues pruned to eliminate duplicates Z: 16 27.846 2.006 0.994 0.854 0.933 0.867 CA 1.423 16 residues pruned to eliminate duplicates Z: 46 32.822 2.212 0.597 0.494 0.933 0.556 CB 1.493 46 residues pruned to eliminate duplicates Z: 16 12.029 1.768 0.586 0.670 0.867 0.667 CB 1.092 16 residues pruned to eliminate duplicates Z: 14 29.050 2.116 0.624 0.911 1.000 0.846 N 1.661 14 residues pruned to eliminate duplicates Z: 17 30.350 2.083 0.870 0.893 0.938 0.500 CA 1.492 17 residues pruned to eliminate duplicates Z: 17 28.905 1.975 0.808 0.834 0.938 0.812 CA 1.618 17 residues pruned to eliminate duplicates Z: 40 40.041 2.125 0.824 0.698 0.923 0.615 CB 1.495 39 residues pruned to eliminate duplicates Z: 16 24.362 2.192 0.492 0.909 1.000 0.800 CB 1.365 16 residues pruned to eliminate duplicates Z: 45 30.409 2.050 0.788 0.506 0.818 0.477 CB 1.519 45 residues pruned to eliminate duplicates Z: 15 12.589 1.709 0.293 0.902 0.929 0.857 CB 1.170 15 residues pruned to eliminate duplicates Z: 105 75.431 2.219 0.811 0.695 0.942 0.692 CB 1.635 105 residues pruned to eliminate duplicates Z: 44 33.682 1.885 0.628 0.824 0.907 0.419 CB 1.394 44 residues pruned to eliminate duplicates Z: 22 29.458 1.865 0.724 0.889 0.905 0.571 CB 1.592 22 residues pruned to eliminate duplicates Z: 17 26.050 2.005 0.745 0.929 1.000 1.000 CA 1.303 17 residues pruned to eliminate duplicates Z: 17 32.177 2.014 0.864 0.831 0.938 0.875 CA 1.717 17 residues pruned to eliminate duplicates Z: 15 16.103 1.749 0.782 0.754 0.857 0.571 CB 1.285 15 residues pruned to eliminate duplicates Z: 16 23.897 2.037 0.600 0.907 1.000 1.000 CA 1.346 16 residues pruned to eliminate duplicates Z: 35 47.625 2.161 0.798 0.773 0.971 0.588 CA 1.702 35 residues pruned to eliminate duplicates Z: 17 29.630 1.970 0.969 0.873 1.000 0.750 CA 1.391 17 residues pruned to eliminate duplicates Z: 8 4.215 1.763 0.801 0.214 0.571 0.571 CB 1.230 Z: 9 15.403 1.980 0.632 0.879 0.875 0.875 CB 1.397 9 residues pruned to eliminate duplicates Z: 9 6.834 1.608 0.329 0.822 0.875 0.250 CB 0.978 Z: 47 31.568 2.235 0.564 0.435 0.891 0.565 CB 1.598 47 residues pruned to eliminate duplicates Z: 11 15.117 1.713 0.677 0.729 1.000 0.600 N 1.354 11 residues pruned to eliminate duplicates Z: 9 12.157 1.777 0.756 0.489 1.000 0.375 CB 1.394 9 residues pruned to eliminate duplicates Z: 97 75.398 2.159 0.931 0.736 0.927 0.615 CB 1.611 96 residues pruned to eliminate duplicates Z: 28 43.842 2.099 0.956 0.932 0.889 0.370 CA 1.615 28 residues pruned to eliminate duplicates Z: 13 6.474 1.921 0.718 0.329 0.667 0.333 CB 1.025 13 residues pruned to eliminate duplicates Z: 10 20.576 2.083 1.030 0.926 1.000 0.222 CB 1.137 10 residues pruned to eliminate duplicates Z: 11 10.820 1.878 -0.009 0.890 1.000 0.900 CB 1.322 11 residues pruned to eliminate duplicates Z: 12 8.046 2.075 0.029 0.400 0.909 0.364 CB 1.389 5 residues pruned to eliminate duplicates Z: 6 13.498 2.183 1.140 0.845 1.000 0.800 CB 0.961 6 residues pruned to eliminate duplicates Z: 13 12.823 1.431 0.542 0.873 1.000 0.750 O 1.221 9 residues pruned to eliminate duplicates Z: 6 6.775 1.509 0.986 0.738 1.000 0.600 CA 0.817 6 residues pruned to eliminate duplicates Z: 10 11.156 1.590 0.557 0.863 0.889 0.556 CB 1.240 10 residues pruned to eliminate duplicates Z: 18 30.494 1.937 0.851 0.781 1.000 0.824 CA 1.610 18 residues pruned to eliminate duplicates Z: 15 36.889 2.108 1.107 0.894 1.000 0.500 CA 1.592 15 residues pruned to eliminate duplicates Z: 18 28.560 1.923 0.644 0.787 1.000 0.765 O 1.704 18 residues pruned to eliminate duplicates Z: 105 47.671 2.119 0.599 0.559 0.913 0.606 CB 1.426 100 residues pruned to eliminate duplicates Z: 16 39.971 2.144 1.184 0.915 0.933 0.733 N 1.668 16 residues pruned to eliminate duplicates Z: 14 31.450 2.101 0.692 0.921 1.000 1.000 N 1.726 14 residues pruned to eliminate duplicates Z: 16 23.293 2.029 0.709 0.943 1.000 0.867 CB 1.202 16 residues pruned to eliminate duplicates Z: 10 14.435 1.937 0.533 0.800 0.889 0.667 CB 1.403 10 residues pruned to eliminate duplicates Z: 6 5.027 1.807 0.476 0.450 1.000 0.800 CB 0.887 6 residues pruned to eliminate duplicates Z: 20 11.360 1.503 0.302 0.671 0.947 0.421 CB 1.199 20 residues pruned to eliminate duplicates Z: 13 14.662 1.736 0.323 0.901 0.917 0.667 CA 1.434 13 residues pruned to eliminate duplicates Z: 16 11.482 1.706 0.211 0.764 0.867 0.733 CB 1.310 16 residues pruned to eliminate duplicates Z: 13 14.653 1.768 0.234 0.902 0.917 0.583 N 1.509 13 residues pruned to eliminate duplicates Z: 44 26.937 1.944 0.606 0.583 0.977 0.535 CB 1.244 43 residues pruned to eliminate duplicates Z: 7 9.444 2.090 0.145 0.782 0.833 0.667 CB 1.508 7 residues pruned to eliminate duplicates Z: 11 24.335 1.971 0.907 0.932 1.000 0.900 N 1.430 11 residues pruned to eliminate duplicates Z: 17 22.907 2.094 0.470 0.892 1.000 0.875 CB 1.337 17 residues pruned to eliminate duplicates Z: 40 22.746 1.948 0.506 0.566 0.897 0.538 CB 1.298 40 residues pruned to eliminate duplicates Z: 46 47.078 2.164 0.781 0.681 0.911 0.644 CB 1.693 46 residues pruned to eliminate duplicates Z: 16 13.103 1.913 0.633 0.410 0.800 0.600 CB 1.487 16 residues pruned to eliminate duplicates Z: 9 12.816 1.887 0.639 0.694 0.875 0.375 CA 1.402 9 residues pruned to eliminate duplicates Z: 14 34.522 2.332 0.872 0.889 1.000 0.846 CB 1.580 14 residues pruned to eliminate duplicates Z: 96 66.754 2.124 0.864 0.669 0.937 0.495 CB 1.579 96 residues pruned to eliminate duplicates Z: 13 15.365 1.704 0.431 0.871 0.917 0.667 CA 1.448 13 residues pruned to eliminate duplicates Z: 42 30.749 2.105 0.524 0.616 0.927 0.561 CB 1.447 42 residues pruned to eliminate duplicates Z: 16 34.307 2.165 0.913 0.896 1.000 0.733 CB 1.531 16 residues pruned to eliminate duplicates Z: 23 15.744 1.877 0.257 0.617 0.864 0.682 CB 1.474 23 residues pruned to eliminate duplicates Z: 15 34.356 2.145 0.912 0.897 1.000 0.857 CA 1.602 15 residues pruned to eliminate duplicates Z: 8 4.793 1.452 0.649 0.575 0.714 0.429 N 0.986 8 residues pruned to eliminate duplicates Z: 9 3.081 1.513 0.414 0.395 0.875 0.625 CB 0.650 Z: 11 14.793 2.203 0.505 0.758 0.900 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 70 45.256 2.166 0.753 0.552 0.928 0.536 CB 1.471 70 residues pruned to eliminate duplicates Z: 28 47.692 2.095 0.972 0.926 0.926 0.185 CB 1.683 28 residues pruned to eliminate duplicates Z: 27 21.138 2.049 0.614 0.478 0.885 0.615 CB 1.448 23 residues pruned to eliminate duplicates Z: 21 17.838 1.786 0.218 0.865 0.900 0.850 CB 1.493 21 residues pruned to eliminate duplicates Z: 83 43.429 2.124 0.637 0.538 0.902 0.573 CB 1.472 86 residues pruned to eliminate duplicates Z: 8 15.066 2.084 0.798 0.834 0.857 0.857 CA 1.329 8 residues pruned to eliminate duplicates Z: 17 4.767 1.532 0.526 0.226 0.688 0.312 CB 1.022 Z: 17 27.560 1.998 0.877 0.907 1.000 0.750 CA 1.306 17 residues pruned to eliminate duplicates Z: 17 27.514 2.179 0.483 0.904 1.000 0.875 CA 1.516 17 residues pruned to eliminate duplicates Z: 14 11.943 1.712 0.195 0.890 0.923 0.692 CA 1.262 14 residues pruned to eliminate duplicates Z: 76 40.525 2.108 0.726 0.478 0.920 0.560 CB 1.430 75 residues pruned to eliminate duplicates Z: 12 23.165 1.888 1.006 0.835 1.000 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 15 27.290 2.105 0.786 0.919 1.000 0.857 CB 1.367 15 residues pruned to eliminate duplicates Z: 41 33.213 2.105 0.576 0.639 0.900 0.550 CB 1.545 41 residues pruned to eliminate duplicates Z: 17 29.597 2.046 0.931 0.900 1.000 0.812 CB 1.338 17 residues pruned to eliminate duplicates Z: 13 41.786 2.313 0.999 0.935 1.000 0.667 CA 1.818 13 residues pruned to eliminate duplicates Z: 7 5.127 1.725 0.262 0.850 0.667 0.667 CB 1.068 7 residues pruned to eliminate duplicates Z: 6 4.708 1.326 0.404 0.807 1.000 0.600 N 0.865 6 residues pruned to eliminate duplicates Z: 8 12.872 1.690 0.683 0.887 0.857 0.571 CB 1.439 8 residues pruned to eliminate duplicates Z: 12 11.817 1.684 0.144 0.907 0.909 0.818 CA 1.446 12 residues pruned to eliminate duplicates Z: 29 38.752 2.011 0.858 0.887 0.893 0.607 CA 1.583 29 residues pruned to eliminate duplicates Z: 10 21.208 1.919 0.788 0.901 1.000 0.667 CB 1.470 10 residues pruned to eliminate duplicates Z: 9 18.076 2.036 0.346 0.886 1.000 0.750 CA 1.683 9 residues pruned to eliminate duplicates Z: 9 17.909 2.182 0.577 0.776 1.000 0.875 CA 1.442 9 residues pruned to eliminate duplicates Z: 16 14.331 1.657 0.294 0.818 1.000 0.733 CB 1.309 16 residues pruned to eliminate duplicates Z: 16 30.283 2.081 0.814 0.909 1.000 0.667 CA 1.471 16 residues pruned to eliminate duplicates Z: 16 26.838 2.192 0.861 0.885 1.000 0.800 CB 1.226 16 residues pruned to eliminate duplicates Z: 44 35.214 1.931 0.494 0.848 0.953 0.744 CA 1.448 44 residues pruned to eliminate duplicates Z: 16 21.243 1.972 1.018 0.907 0.933 0.600 CB 1.050 16 residues pruned to eliminate duplicates Z: 60 46.036 2.225 0.760 0.556 0.949 0.593 CB 1.526 60 residues pruned to eliminate duplicates Z: 11 10.393 1.736 0.438 0.767 0.800 0.500 CB 1.298 11 residues pruned to eliminate duplicates Z: 18 26.496 1.880 0.927 0.887 1.000 0.882 CB 1.278 18 residues pruned to eliminate duplicates Z: 18 11.057 1.412 0.448 0.926 0.941 0.647 CB 0.977 12 residues pruned to eliminate duplicates Z: 21 41.606 2.070 0.983 0.940 1.000 0.750 CA 1.573 21 residues pruned to eliminate duplicates Z: 9 19.864 2.057 0.563 0.897 1.000 0.750 N 1.563 9 residues pruned to eliminate duplicates Z: 8 22.631 2.174 0.660 0.796 1.000 0.429 CA 1.830 8 residues pruned to eliminate duplicates Z: 12 23.549 1.900 0.944 0.905 1.000 0.818 CA 1.368 12 residues pruned to eliminate duplicates Z: 7 13.287 2.037 0.237 0.878 1.000 1.000 CB 1.562 7 residues pruned to eliminate duplicates Z: 10 19.180 2.034 0.399 0.869 1.000 0.778 CB 1.642 10 residues pruned to eliminate duplicates Z: 75 75.288 2.226 0.985 0.750 0.932 0.581 CB 1.699 75 residues pruned to eliminate duplicates Z: 14 30.636 2.101 1.149 0.932 1.000 0.692 CB 1.314 14 residues pruned to eliminate duplicates Z: 9 4.284 1.694 0.552 0.241 0.750 0.375 CB 1.037 Z: 18 15.200 1.935 0.880 0.642 0.765 0.353 CB 1.160 20 residues pruned to eliminate duplicates Z: 8 14.385 2.038 0.369 0.795 1.000 0.857 CB 1.505 8 residues pruned to eliminate duplicates Z: 34 18.271 2.030 0.576 0.357 0.848 0.515 CB 1.367 34 residues pruned to eliminate duplicates Z: 31 25.737 2.081 0.662 0.620 0.867 0.467 CB 1.400 30 residues pruned to eliminate duplicates Z: 9 15.131 1.702 0.577 0.866 1.000 0.750 CB 1.459 9 residues pruned to eliminate duplicates Z: 91 55.995 2.180 0.704 0.584 0.944 0.689 CB 1.551 89 residues pruned to eliminate duplicates Z: 17 17.928 2.163 0.364 0.557 0.938 0.750 CA 1.533 17 residues pruned to eliminate duplicates Z: 30 45.140 2.005 0.926 0.947 0.966 0.345 CA 1.554 30 residues pruned to eliminate duplicates Z: 14 5.407 1.460 0.488 0.344 0.769 0.462 CB 1.064 14 residues pruned to eliminate duplicates Z: 17 24.993 2.094 0.613 0.933 1.000 0.875 CB 1.291 17 residues pruned to eliminate duplicates Z: 58 53.312 2.111 0.951 0.637 0.860 0.667 CB 1.753 58 residues pruned to eliminate duplicates Z: 29 66.207 2.346 1.150 0.935 0.964 0.429 CA 1.793 29 residues pruned to eliminate duplicates Z: 59 36.742 2.099 0.558 0.628 0.862 0.707 CB 1.517 59 residues pruned to eliminate duplicates Z: 43 27.541 1.859 0.398 0.836 0.857 0.548 CB 1.428 43 residues pruned to eliminate duplicates Z: 18 26.729 1.920 0.759 0.793 0.941 0.765 CA 1.577 18 residues pruned to eliminate duplicates Z: 7 14.456 2.067 0.365 0.826 1.000 0.833 CB 1.578 7 residues pruned to eliminate duplicates Z: 8 2.774 1.429 0.341 0.409 0.571 0.286 C 1.053 8 residues pruned to eliminate duplicates Z: 7 3.134 1.505 0.238 0.399 0.667 0.167 C 1.146 Z: 26 36.513 2.042 0.880 0.945 0.840 0.280 CB 1.567 26 residues pruned to eliminate duplicates Z: 8 5.344 1.722 0.390 0.550 0.714 0.286 CA 1.125 8 residues pruned to eliminate duplicates Z: 19 23.434 1.822 0.652 0.789 0.944 0.667 CA 1.507 19 residues pruned to eliminate duplicates Z: 6 5.981 1.672 0.224 0.824 1.000 0.800 CA 0.987 6 residues pruned to eliminate duplicates Z: 44 30.190 2.196 0.641 0.448 0.907 0.605 CB 1.487 44 residues pruned to eliminate duplicates Z: 12 17.432 1.766 0.589 0.872 0.909 0.545 CB 1.503 12 residues pruned to eliminate duplicates Z: 12 13.070 1.727 0.143 0.913 1.000 1.000 CA 1.414 12 residues pruned to eliminate duplicates Z: 6 12.424 1.936 0.789 0.709 1.000 0.600 CB 1.326 6 residues pruned to eliminate duplicates Z: 52 27.945 2.008 0.566 0.609 0.922 0.569 CB 1.217 50 residues pruned to eliminate duplicates Z: 22 21.895 2.179 0.375 0.534 0.952 0.714 CA 1.619 22 residues pruned to eliminate duplicates Z: 25 13.864 1.634 0.546 0.444 0.875 0.542 CB 1.356 25 residues pruned to eliminate duplicates Z: 32 19.000 1.880 0.478 0.545 0.871 0.613 CB 1.350 32 residues pruned to eliminate duplicates Z: 17 29.971 2.041 0.909 0.791 0.875 0.750 CA 1.702 17 residues pruned to eliminate duplicates Z: 30 19.867 2.056 0.760 0.423 0.759 0.517 CB 1.456 30 residues pruned to eliminate duplicates Z: 15 29.139 2.270 0.748 0.831 0.929 0.714 CB 1.587 15 residues pruned to eliminate duplicates Z: 13 15.554 1.766 0.337 0.900 0.917 0.583 CB 1.483 13 residues pruned to eliminate duplicates Z: 59 59.063 2.169 0.946 0.693 0.931 0.707 CB 1.655 59 residues pruned to eliminate duplicates Z: 15 35.405 2.122 1.015 0.874 0.929 0.857 CA 1.735 15 residues pruned to eliminate duplicates Z: 26 51.678 2.365 0.756 0.945 1.000 0.920 CA 1.722 26 residues pruned to eliminate duplicates Z: 41 50.903 2.223 0.969 0.655 0.925 0.675 CA 1.721 41 residues pruned to eliminate duplicates Z: 12 7.121 1.714 0.523 0.282 0.818 0.364 CB 1.286 11 residues pruned to eliminate duplicates Z: 31 25.547 2.032 0.727 0.493 0.867 0.633 CB 1.544 31 residues pruned to eliminate duplicates Z: 13 18.084 1.852 0.652 0.834 1.000 0.917 CA 1.279 13 residues pruned to eliminate duplicates Z: 79 38.544 2.095 0.623 0.486 0.846 0.500 CB 1.539 79 residues pruned to eliminate duplicates Z: 15 11.081 2.050 0.217 0.507 0.786 0.500 CB 1.500 15 residues pruned to eliminate duplicates Z: 11 8.200 1.728 0.481 0.550 0.800 0.600 CB 1.206 Z: 6 8.526 1.925 0.083 0.858 1.000 0.800 CA 1.347 6 residues pruned to eliminate duplicates Z: 51 24.742 1.918 0.559 0.522 0.900 0.520 CB 1.272 51 residues pruned to eliminate duplicates Z: 13 21.020 2.119 0.547 0.919 1.000 0.833 CA 1.305 13 residues pruned to eliminate duplicates Z: 26 35.242 1.981 0.937 0.708 1.000 0.600 CA 1.520 26 residues pruned to eliminate duplicates Z: 113 64.882 2.123 0.804 0.668 0.875 0.491 CB 1.566 113 residues pruned to eliminate duplicates Z: 34 25.482 1.995 0.527 0.601 0.909 0.667 CB 1.455 34 residues pruned to eliminate duplicates Z: 16 29.411 2.219 0.807 0.926 1.000 0.800 CB 1.328 16 residues pruned to eliminate duplicates Z: 16 23.449 2.149 0.408 0.914 1.000 0.933 CB 1.416 16 residues pruned to eliminate duplicates Z: 8 15.789 2.129 0.760 0.661 0.857 0.714 CB 1.600 10 residues pruned to eliminate duplicates Z: 7 7.616 1.507 0.648 0.806 1.000 0.833 CA 0.959 7 residues pruned to eliminate duplicates Z: 18 12.564 1.402 0.436 0.912 1.000 0.706 CA 1.072 18 residues pruned to eliminate duplicates Z: 9 22.429 2.032 0.696 0.899 1.000 0.875 CA 1.645 10 residues pruned to eliminate duplicates Z: 23 36.698 2.032 0.924 0.911 0.955 0.636 CA 1.485 23 residues pruned to eliminate duplicates Z: 16 27.583 2.046 0.829 0.880 0.933 0.800 CA 1.477 16 residues pruned to eliminate duplicates Z: 28 38.197 2.007 0.864 0.895 0.926 0.519 CA 1.521 28 residues pruned to eliminate duplicates Z: 15 21.734 2.009 0.611 0.925 1.000 0.929 CB 1.259 15 residues pruned to eliminate duplicates Z: 44 62.279 2.292 0.976 0.769 0.930 0.628 CA 1.777 44 residues pruned to eliminate duplicates Z: 7 13.144 1.961 0.755 0.807 1.000 0.667 CB 1.192 10 residues pruned to eliminate duplicates Z: 53 49.067 2.081 0.684 0.699 0.981 0.596 CB 1.651 53 residues pruned to eliminate duplicates Z: 25 32.061 1.975 0.750 0.864 0.958 0.542 CA 1.448 25 residues pruned to eliminate duplicates Z: 15 15.952 1.956 0.213 0.902 1.000 1.000 CB 1.282 15 residues pruned to eliminate duplicates Z: 9 7.783 1.945 0.460 0.645 0.875 0.625 CB 0.967 Z: 13 15.363 1.748 0.684 0.843 1.000 0.750 CB 1.122 13 residues pruned to eliminate duplicates Z: 14 10.290 1.459 0.352 0.908 0.923 0.923 CA 1.114 14 residues pruned to eliminate duplicates Z: 18 34.539 1.973 1.066 0.820 1.000 0.765 CA 1.556 18 residues pruned to eliminate duplicates Z: 8 6.959 1.592 0.446 0.680 0.857 0.429 CB 1.129 8 residues pruned to eliminate duplicates Z: 21 16.192 2.098 0.333 0.506 0.850 0.550 CB 1.514 21 residues pruned to eliminate duplicates Z: 12 4.863 1.557 0.646 0.276 0.727 0.273 N 1.014 Z: 11 14.777 1.835 0.834 0.822 0.900 0.800 CB 1.167 11 residues pruned to eliminate duplicates Z: 16 19.384 1.928 0.419 0.792 0.933 0.800 CA 1.517 16 residues pruned to eliminate duplicates Z: 6 2.958 1.759 0.000 0.181 0.800 0.600 CB 1.381 6 residues pruned to eliminate duplicates Z: 17 28.345 2.161 0.634 0.899 1.000 0.688 CB 1.434 17 residues pruned to eliminate duplicates Z: 6 3.879 1.642 0.465 0.439 0.600 0.400 CA 1.280 6 1.588 1.360 0.358 0.295 0.800 0.600 CB 0.605 ? Z: 29 19.627 2.049 0.484 0.461 0.821 0.679 CB 1.545 29 residues pruned to eliminate duplicates Z: 35 22.771 1.969 0.477 0.627 0.941 0.441 CB 1.267 35 residues pruned to eliminate duplicates Z: 10 6.183 1.826 0.719 0.505 0.889 0.444 CB 0.735 9 residues pruned to eliminate duplicates Z: 10 3.468 1.549 0.495 0.308 0.667 0.444 CB 0.927 10 residues pruned to eliminate duplicates Z: 58 35.508 2.122 0.435 0.542 0.947 0.632 CB 1.564 58 residues pruned to eliminate duplicates Z: 41 33.045 1.915 0.481 0.824 0.925 0.650 CA 1.504 41 residues pruned to eliminate duplicates Z: 26 19.524 2.139 0.422 0.446 0.880 0.600 CB 1.543 26 residues pruned to eliminate duplicates Z: 16 13.164 1.616 0.339 0.817 1.000 0.800 CB 1.192 16 residues pruned to eliminate duplicates Z: 84 41.189 2.091 0.618 0.480 0.916 0.602 CB 1.490 84 residues pruned to eliminate duplicates Z: 12 20.469 1.947 0.695 0.856 1.000 0.545 CB 1.380 12 residues pruned to eliminate duplicates Z: 13 13.730 1.776 0.479 0.613 1.000 0.667 CB 1.356 13 residues pruned to eliminate duplicates Z: 42 31.600 2.040 0.621 0.659 0.902 0.463 CB 1.427 42 residues pruned to eliminate duplicates Z: 7 3.814 1.580 0.467 0.245 0.833 0.500 CB 1.082 Z: 7 2.582 1.541 0.182 0.539 1.000 0.833 CB 0.557 Z: 6 2.210 1.705 -0.414 0.814 0.800 0.600 CB 0.942 Z: 12 16.293 1.783 0.448 0.893 0.909 0.636 CA 1.502 12 residues pruned to eliminate duplicates Z: 20 25.182 1.878 0.679 0.724 0.947 0.579 CA 1.581 20 residues pruned to eliminate duplicates Z: 11 8.424 1.884 0.114 0.861 0.900 0.800 CB 1.036 11 residues pruned to eliminate duplicates Z: 6 4.326 1.767 0.078 0.644 0.800 0.800 CB 1.110 Z: 12 10.420 1.553 0.548 0.927 0.909 0.636 CB 1.007 12 residues pruned to eliminate duplicates Z: 41 35.921 2.062 0.785 0.607 0.925 0.475 CB 1.507 41 residues pruned to eliminate duplicates Z: 20 17.534 2.135 0.287 0.465 0.947 0.684 CA 1.601 20 residues pruned to eliminate duplicates Z: 91 67.191 2.161 0.884 0.691 0.911 0.478 CB 1.602 91 residues pruned to eliminate duplicates Z: 28 23.723 2.158 0.552 0.452 0.963 0.519 CB 1.488 28 residues pruned to eliminate duplicates Z: 31 18.253 2.009 0.368 0.329 0.900 0.567 CB 1.626 31 residues pruned to eliminate duplicates Z: 15 32.005 2.081 0.875 0.905 1.000 0.929 CA 1.561 15 residues pruned to eliminate duplicates Z: 6 4.056 1.658 0.395 0.637 1.000 0.800 CB 0.690 7 residues pruned to eliminate duplicates Z: 13 19.602 1.808 0.783 0.849 1.000 0.417 CB 1.302 13 residues pruned to eliminate duplicates Z: 11 6.986 1.948 0.372 0.285 0.800 0.600 CB 1.317 11 residues pruned to eliminate duplicates Z: 36 31.142 2.038 0.518 0.648 0.914 0.771 CB 1.621 36 residues pruned to eliminate duplicates Z: 51 24.982 1.902 0.531 0.585 0.900 0.560 CB 1.242 51 residues pruned to eliminate duplicates Z: 17 14.674 1.938 0.568 0.369 0.938 0.625 CA 1.482 17 residues pruned to eliminate duplicates Z: 14 14.312 1.727 0.636 0.793 1.000 0.846 CA 1.087 14 residues pruned to eliminate duplicates Z: 12 16.421 1.822 0.669 0.856 0.909 0.818 CA 1.321 12 residues pruned to eliminate duplicates Z: 17 13.580 1.700 0.502 0.750 0.875 0.562 CB 1.217 17 residues pruned to eliminate duplicates Z: 31 21.534 1.987 0.603 0.562 0.833 0.400 CB 1.395 31 residues pruned to eliminate duplicates Z: 92 59.469 2.151 0.698 0.628 0.934 0.527 CB 1.619 92 residues pruned to eliminate duplicates Z: 23 20.187 2.013 0.710 0.533 0.864 0.591 CB 1.402 23 residues pruned to eliminate duplicates Z: 8 5.270 1.503 0.160 0.844 1.000 0.857 CB 0.850 6 residues pruned to eliminate duplicates Z: 27 19.890 1.960 0.799 0.579 0.846 0.615 CB 1.212 28 residues pruned to eliminate duplicates Z: 9 3.988 1.312 0.689 0.644 0.500 0.125 CA 1.113 9 residues pruned to eliminate duplicates Z: 8 6.181 1.361 0.756 0.750 0.857 0.714 CB 0.912 Z: 11 19.106 1.771 0.830 0.887 1.000 1.000 CB 1.344 11 residues pruned to eliminate duplicates Z: 6 6.008 1.839 0.275 0.461 1.000 0.600 CA 1.193 6 residues pruned to eliminate duplicates Z: 6 2.571 1.493 0.484 0.372 0.800 0.600 CB 0.744 Z: 12 20.497 1.884 0.703 0.864 1.000 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 84 42.144 1.982 0.532 0.583 0.928 0.590 CB 1.516 84 residues pruned to eliminate duplicates Z: 6 4.036 1.881 -0.104 0.439 0.800 0.400 N 1.425 Z: 7 4.393 1.696 0.353 0.842 0.833 0.667 CB 0.699 7 residues pruned to eliminate duplicates Z: 46 57.633 2.224 0.878 0.739 0.956 0.800 CA 1.738 46 residues pruned to eliminate duplicates Z: 9 3.894 1.550 0.524 0.288 0.750 0.250 O 0.986 Z: 8 2.093 1.592 0.276 0.206 0.571 0.286 CB 0.965 8 residues pruned to eliminate duplicates Z: 18 16.873 2.002 0.211 0.887 1.000 0.824 CB 1.217 18 residues pruned to eliminate duplicates Z: 6 6.308 1.583 0.271 0.726 1.000 0.600 CB 1.144 Z: 26 49.064 2.421 0.903 0.918 0.880 0.680 CA 1.707 26 residues pruned to eliminate duplicates Z: 14 12.229 1.744 0.285 0.887 1.000 0.923 CB 1.091 14 residues pruned to eliminate duplicates Z: 48 26.831 2.129 0.588 0.383 0.894 0.532 CB 1.467 48 residues pruned to eliminate duplicates Z: 48 69.749 2.327 1.091 0.786 0.979 0.489 CB 1.661 48 residues pruned to eliminate duplicates Z: 15 16.513 1.975 0.287 0.926 1.000 0.857 CB 1.217 15 residues pruned to eliminate duplicates Z: 6 10.397 1.863 0.652 0.832 1.000 0.800 CA 1.135 6 residues pruned to eliminate duplicates Z: 10 15.023 2.182 0.300 0.821 1.000 0.889 CA 1.336 10 residues pruned to eliminate duplicates Z: 17 33.193 2.068 1.183 0.926 0.938 0.438 CB 1.375 17 residues pruned to eliminate duplicates 6 1.944 1.139 0.355 0.312 0.800 0.400 CA 0.867 ? Z: 7 5.040 1.748 0.047 0.794 0.833 0.667 CB 1.042 7 residues pruned to eliminate duplicates Z: 16 24.140 1.858 0.870 0.871 0.933 0.467 CB 1.402 16 residues pruned to eliminate duplicates Z: 11 8.117 1.896 0.290 0.645 0.900 0.600 CB 1.018 Z: 7 2.465 1.249 0.564 0.333 0.667 0.167 C 0.928 Z: 11 13.059 1.879 0.449 0.811 1.000 0.900 CA 1.157 11 residues pruned to eliminate duplicates Z: 47 34.971 2.068 0.672 0.601 0.891 0.652 CB 1.520 47 residues pruned to eliminate duplicates Z: 18 13.863 1.385 0.624 0.939 1.000 0.882 CB 1.039 18 residues pruned to eliminate duplicates Z: 19 14.451 1.908 0.502 0.419 0.889 0.611 CB 1.455 19 residues pruned to eliminate duplicates Z: 12 10.210 1.816 0.226 0.813 0.818 0.727 CB 1.287 12 residues pruned to eliminate duplicates Z: 13 13.926 1.530 0.479 0.854 1.000 0.667 CB 1.313 13 residues pruned to eliminate duplicates Z: 6 6.046 1.838 0.545 0.721 0.800 0.600 CA 0.975 6 residues pruned to eliminate duplicates Z: 7 2.635 1.304 0.546 0.398 0.833 0.667 CB 0.713 Z: 7 6.187 1.358 0.787 0.680 0.833 0.667 O 1.059 7 residues pruned to eliminate duplicates Z: 6 9.134 1.596 0.759 0.624 1.000 0.600 CA 1.295 Z: 6 3.675 1.817 0.306 0.100 0.800 0.400 N 1.442 5 residues pruned to eliminate duplicates Z: 8 3.573 1.424 0.103 0.459 0.857 0.571 N 1.045 Z: 6 4.596 1.764 0.504 0.472 0.800 0.400 CB 0.996 Z: 7 4.078 1.906 -0.158 0.763 0.833 0.667 CB 0.986 7 residues pruned to eliminate duplicates Z: 31 25.987 2.043 0.608 0.642 0.933 0.633 CB 1.355 31 residues pruned to eliminate duplicates Z: 17 30.242 2.189 0.743 0.905 1.000 0.688 CB 1.410 17 residues pruned to eliminate duplicates Z: 56 52.058 2.187 0.893 0.696 0.873 0.618 CB 1.624 56 residues pruned to eliminate duplicates Z: 43 37.118 1.923 0.734 0.758 0.905 0.595 CB 1.509 43 residues pruned to eliminate duplicates Z: 10 9.315 1.760 0.409 0.812 1.000 0.889 CB 0.954 Z: 18 16.687 2.024 0.500 0.540 0.824 0.471 CB 1.556 18 residues pruned to eliminate duplicates Z: 15 24.677 1.741 0.871 0.880 1.000 0.857 CA 1.467 15 residues pruned to eliminate duplicates Z: 44 25.406 1.933 0.503 0.537 0.884 0.488 CB 1.455 44 residues pruned to eliminate duplicates 7 1.583 1.419 0.753 0.401 0.833 0.500 CB 0.346 ? Z: 9 4.446 1.580 -0.135 0.483 0.875 0.625 O 1.337 Z: 47 27.367 1.975 0.699 0.644 0.891 0.522 CB 1.179 47 residues pruned to eliminate duplicates Z: 18 11.695 1.619 0.251 0.780 0.941 0.824 CB 1.162 18 residues pruned to eliminate duplicates Z: 36 28.522 2.022 0.656 0.552 0.943 0.571 CB 1.452 36 residues pruned to eliminate duplicates Z: 47 35.467 2.178 0.731 0.491 0.870 0.435 CB 1.609 47 residues pruned to eliminate duplicates 6 1.923 1.466 0.719 0.341 0.800 0.200 CB 0.507 ? Z: 11 4.211 1.426 0.190 0.274 0.900 0.300 CB 1.126 11 residues pruned to eliminate duplicates Z: 6 2.274 1.841 0.018 0.100 0.800 0.200 CB 1.130 Z: 12 11.084 1.732 0.179 0.869 0.818 0.455 CA 1.461 12 residues pruned to eliminate duplicates Z: 12 10.821 1.732 0.212 0.834 1.000 0.636 CB 1.166 12 residues pruned to eliminate duplicates Z: 6 10.288 1.934 0.756 0.800 1.000 0.800 CA 1.042 Z: 22 6.680 1.489 0.624 0.424 0.762 0.524 CB 0.856 22 residues pruned to eliminate duplicates Z: 16 7.422 1.465 0.206 0.666 1.000 0.800 CB 0.930 16 residues pruned to eliminate duplicates Z: 8 8.420 1.764 0.418 0.560 1.000 0.857 CB 1.200 Z: 13 18.295 1.825 0.592 0.852 1.000 0.833 CB 1.344 13 residues pruned to eliminate duplicates Z: 45 68.849 2.261 0.967 0.868 0.955 0.568 CA 1.787 45 residues pruned to eliminate duplicates Z: 15 23.042 2.165 0.702 0.723 0.929 0.714 CB 1.472 15 residues pruned to eliminate duplicates Z: 42 30.123 2.092 0.569 0.632 0.854 0.561 CB 1.484 42 residues pruned to eliminate duplicates Z: 9 15.129 2.173 0.330 0.606 1.000 0.375 CB 1.673 9 residues pruned to eliminate duplicates Z: 33 33.963 2.043 0.833 0.647 0.969 0.656 CB 1.443 31 residues pruned to eliminate duplicates Z: 23 29.220 1.797 0.835 0.855 0.955 0.545 CB 1.460 23 residues pruned to eliminate duplicates Z: 17 9.893 2.236 0.375 0.307 0.625 0.312 CA 1.595 17 residues pruned to eliminate duplicates Z: 45 32.997 2.004 0.634 0.606 0.909 0.636 CB 1.510 45 residues pruned to eliminate duplicates Z: 16 9.967 1.471 0.299 0.916 0.933 0.800 CB 1.019 16 residues pruned to eliminate duplicates Z: 11 16.770 1.948 0.880 0.900 0.900 0.900 CB 1.149 21 residues pruned to eliminate duplicates Z: 17 12.624 1.472 0.530 0.923 0.938 0.688 CB 1.051 18 residues pruned to eliminate duplicates Z: 25 25.266 1.928 0.402 0.805 0.917 0.792 CB 1.596 25 residues pruned to eliminate duplicates Z: 11 24.820 1.919 1.135 0.912 1.000 0.800 CA 1.356 11 residues pruned to eliminate duplicates Z: 14 11.090 1.995 0.176 0.602 0.846 0.615 CB 1.406 14 residues pruned to eliminate duplicates Z: 16 28.248 1.969 0.920 0.917 1.000 0.467 CA 1.362 16 residues pruned to eliminate duplicates Z: 8 5.740 1.793 0.103 0.675 0.714 0.714 CB 1.307 8 residues pruned to eliminate duplicates 6 1.371 1.683 -0.131 0.247 0.800 0.400 CB 0.702 ? Z: 39 43.709 2.144 0.716 0.646 1.000 0.684 CA 1.682 49 residues pruned to eliminate duplicates Z: 11 3.105 1.498 0.951 0.151 0.400 0.100 CB 1.289 Using tripeptides from previous cycle as seeds Z: 7 6.522 1.760 -0.066 0.819 1.000 0.833 CB 1.228 7 residues pruned to eliminate duplicates Z: 13 10.458 1.801 0.035 0.868 0.917 0.667 CA 1.292 13 residues pruned to eliminate duplicates Z: 15 9.680 1.820 0.179 0.809 0.857 0.714 CB 1.075 15 residues pruned to eliminate duplicates Z: 15 10.787 1.750 0.139 0.878 1.000 0.786 CB 1.050 15 residues pruned to eliminate duplicates Z: 18 12.362 1.728 0.288 0.720 1.000 0.882 CB 1.104 18 residues pruned to eliminate duplicates Z: 14 14.580 1.740 0.458 0.645 1.000 0.769 CB 1.392 14 residues pruned to eliminate duplicates Z: 14 14.978 1.749 0.456 0.647 1.000 0.846 CA 1.422 9 residues pruned to eliminate duplicates Z: 16 13.173 1.629 0.400 0.896 1.000 0.800 CB 1.069 16 residues pruned to eliminate duplicates Z: 11 13.107 1.864 0.492 0.676 0.900 0.800 CB 1.408 11 residues pruned to eliminate duplicates Z: 10 11.309 1.876 0.454 0.660 0.778 0.667 CA 1.532 10 residues pruned to eliminate duplicates Z: 10 11.655 1.811 0.177 0.784 0.889 0.889 CA 1.597 10 residues pruned to eliminate duplicates Z: 49 35.515 2.143 0.620 0.544 0.917 0.583 CB 1.543 49 residues pruned to eliminate duplicates Z: 6 4.935 1.654 0.197 0.333 1.000 0.400 N 1.339 6 residues pruned to eliminate duplicates Z: 9 3.573 1.601 -0.087 0.213 0.875 0.125 N 1.386 10 residues pruned to eliminate duplicates 6 1.535 1.330 0.469 0.281 0.800 0.400 N 0.562 ? Z: 6 3.290 1.546 0.137 0.213 1.000 0.400 CA 1.173 6 residues pruned to eliminate duplicates Z: 39 33.567 2.139 0.486 0.629 0.947 0.684 CB 1.602 39 residues pruned to eliminate duplicates Z: 31 33.354 2.113 0.647 0.673 1.000 0.767 CB 1.492 31 residues pruned to eliminate duplicates Z: 40 30.451 2.148 0.456 0.654 0.897 0.667 CB 1.506 40 residues pruned to eliminate duplicates Z: 32 30.527 2.075 0.626 0.644 0.968 0.677 CB 1.468 32 residues pruned to eliminate duplicates Z: 157 84.276 2.179 0.775 0.672 0.929 0.679 CB 1.601 153 residues pruned to eliminate duplicates Z: 16 25.173 2.184 0.696 0.898 0.933 0.733 CB 1.345 16 residues pruned to eliminate duplicates Z: 42 30.935 2.124 0.494 0.620 0.927 0.634 CB 1.466 42 residues pruned to eliminate duplicates Z: 31 32.633 2.095 0.682 0.672 1.000 0.633 CB 1.442 31 residues pruned to eliminate duplicates Z: 33 25.987 2.033 0.653 0.584 0.938 0.625 CB 1.345 33 residues pruned to eliminate duplicates Z: 31 33.459 2.132 0.730 0.687 0.933 0.633 CB 1.495 31 residues pruned to eliminate duplicates Z: 27 29.619 2.084 0.720 0.729 0.923 0.615 CB 1.429 27 residues pruned to eliminate duplicates Z: 41 37.793 2.148 0.742 0.640 0.900 0.525 CB 1.556 41 residues pruned to eliminate duplicates Z: 32 30.153 2.056 0.814 0.624 0.935 0.581 CB 1.381 32 residues pruned to eliminate duplicates Z: 42 35.067 2.131 0.726 0.625 0.927 0.537 CB 1.428 42 residues pruned to eliminate duplicates Z: 41 34.550 2.151 0.686 0.631 0.900 0.525 CB 1.481 41 residues pruned to eliminate duplicates Z: 31 31.784 2.088 0.832 0.667 0.900 0.467 CB 1.444 31 residues pruned to eliminate duplicates Z: 28 32.764 2.156 0.934 0.701 0.926 0.444 CB 1.360 28 residues pruned to eliminate duplicates Z: 103 76.073 2.209 0.844 0.721 0.951 0.539 CB 1.592 103 residues pruned to eliminate duplicates Z: 73 67.641 2.314 0.932 0.729 0.931 0.597 CB 1.560 73 residues pruned to eliminate duplicates Z: 37 24.874 2.011 0.783 0.602 0.806 0.417 CB 1.302 37 residues pruned to eliminate duplicates Z: 46 36.339 2.090 0.689 0.606 0.933 0.467 CB 1.486 46 residues pruned to eliminate duplicates Z: 41 33.032 2.030 0.786 0.580 0.925 0.375 CB 1.443 41 residues pruned to eliminate duplicates Z: 50 30.432 2.051 0.527 0.582 0.898 0.510 CB 1.428 50 residues pruned to eliminate duplicates Z: 13 14.186 1.933 0.468 0.654 0.917 0.583 N 1.364 13 residues pruned to eliminate duplicates Z: 46 35.199 2.105 0.639 0.652 0.867 0.556 CB 1.523 46 residues pruned to eliminate duplicates Z: 39 37.374 2.164 0.776 0.691 0.895 0.526 CB 1.480 39 residues pruned to eliminate duplicates Z: 40 34.546 2.135 0.804 0.659 0.897 0.462 CB 1.381 40 residues pruned to eliminate duplicates Z: 47 33.987 2.047 0.628 0.652 0.935 0.457 CB 1.397 51 residues pruned to eliminate duplicates Z: 13 15.951 1.950 0.538 0.693 0.833 0.500 N 1.544 13 residues pruned to eliminate duplicates Z: 40 37.597 2.128 0.824 0.681 0.923 0.513 CB 1.424 40 residues pruned to eliminate duplicates Z: 40 35.669 2.152 0.727 0.668 0.897 0.436 CB 1.466 40 residues pruned to eliminate duplicates Z: 47 29.720 2.043 0.615 0.585 0.848 0.326 CB 1.443 47 residues pruned to eliminate duplicates Z: 40 35.762 2.126 0.817 0.663 0.872 0.462 CB 1.462 40 residues pruned to eliminate duplicates Z: 106 75.130 2.209 0.824 0.699 0.914 0.610 CB 1.659 106 residues pruned to eliminate duplicates Z: 87 67.978 2.268 0.775 0.720 0.907 0.570 CB 1.646 87 residues pruned to eliminate duplicates Z: 100 77.132 2.228 0.814 0.718 0.960 0.586 CB 1.641 100 residues pruned to eliminate duplicates Z: 60 75.453 2.340 0.912 0.790 0.966 0.695 CA 1.762 60 residues pruned to eliminate duplicates Z: 111 76.713 2.223 0.802 0.711 0.936 0.555 CB 1.611 111 residues pruned to eliminate duplicates Z: 74 66.778 2.215 0.895 0.738 0.918 0.685 CB 1.639 74 residues pruned to eliminate duplicates Z: 62 72.864 2.325 0.934 0.764 0.951 0.689 CA 1.726 62 residues pruned to eliminate duplicates Z: 62 74.069 2.304 0.939 0.773 0.967 0.754 CA 1.725 62 residues pruned to eliminate duplicates Z: 57 82.607 2.365 1.011 0.812 0.982 0.750 CB 1.801 57 residues pruned to eliminate duplicates Z: 60 83.653 2.346 1.037 0.809 0.966 0.695 CB 1.802 60 residues pruned to eliminate duplicates Z: 56 84.177 2.381 1.069 0.799 0.982 0.745 CB 1.806 56 residues pruned to eliminate duplicates Z: 45 72.508 2.409 1.033 0.797 0.955 0.727 CB 1.803 45 residues pruned to eliminate duplicates Z: 62 71.230 2.287 0.972 0.734 0.934 0.623 CA 1.753 62 residues pruned to eliminate duplicates Z: 64 71.212 2.278 0.948 0.746 0.952 0.603 CB 1.704 64 residues pruned to eliminate duplicates Z: 72 72.436 2.276 0.944 0.737 0.944 0.634 CB 1.665 72 residues pruned to eliminate duplicates Z: 108 75.843 2.211 0.800 0.701 0.935 0.664 CB 1.642 108 residues pruned to eliminate duplicates Z: 45 68.099 2.417 0.988 0.795 0.955 0.636 CA 1.728 45 residues pruned to eliminate duplicates Z: 74 74.299 2.251 1.005 0.741 0.932 0.685 CB 1.667 74 residues pruned to eliminate duplicates Z: 72 75.814 2.278 0.941 0.757 0.958 0.718 CB 1.691 72 residues pruned to eliminate duplicates Z: 59 82.199 2.349 1.067 0.808 0.948 0.621 CB 1.793 59 residues pruned to eliminate duplicates Z: 67 69.174 2.242 0.932 0.744 0.939 0.667 CB 1.683 67 residues pruned to eliminate duplicates Z: 60 74.511 2.281 1.043 0.752 0.966 0.610 CA 1.721 60 residues pruned to eliminate duplicates Z: 61 74.864 2.311 1.031 0.773 0.933 0.633 CB 1.733 61 residues pruned to eliminate duplicates Z: 48 63.997 2.300 0.962 0.742 0.915 0.638 CA 1.821 48 residues pruned to eliminate duplicates Z: 50 62.224 2.332 0.982 0.724 0.939 0.571 CB 1.674 50 residues pruned to eliminate duplicates Z: 50 62.479 2.262 0.937 0.721 0.939 0.592 CB 1.777 50 residues pruned to eliminate duplicates Z: 61 74.038 2.283 0.939 0.788 0.967 0.633 CB 1.734 61 residues pruned to eliminate duplicates Z: 71 74.569 2.277 0.931 0.739 0.957 0.600 CB 1.709 71 residues pruned to eliminate duplicates Z: 64 74.675 2.280 0.992 0.764 0.968 0.603 CB 1.692 64 residues pruned to eliminate duplicates Z: 58 84.298 2.327 1.121 0.799 0.965 0.596 CB 1.804 58 residues pruned to eliminate duplicates Z: 64 68.970 2.287 0.925 0.745 0.921 0.508 CB 1.722 64 residues pruned to eliminate duplicates Z: 61 71.727 2.296 1.011 0.729 0.950 0.550 CB 1.718 61 residues pruned to eliminate duplicates Z: 62 77.249 2.305 1.060 0.754 0.934 0.557 CB 1.779 62 residues pruned to eliminate duplicates Z: 59 77.869 2.317 1.044 0.778 0.983 0.603 CB 1.719 59 residues pruned to eliminate duplicates Z: 57 79.880 2.353 1.013 0.792 0.964 0.464 CA 1.809 57 residues pruned to eliminate duplicates Z: 57 63.775 2.248 0.908 0.736 0.946 0.411 CB 1.699 57 residues pruned to eliminate duplicates Z: 44 68.788 2.402 1.147 0.816 0.907 0.349 CB 1.704 44 residues pruned to eliminate duplicates Z: 60 76.469 2.316 1.059 0.787 0.932 0.475 CB 1.740 60 residues pruned to eliminate duplicates Z: 61 80.325 2.313 1.080 0.789 0.967 0.517 CB 1.729 61 residues pruned to eliminate duplicates Z: 47 59.967 2.266 0.917 0.759 0.935 0.413 CB 1.730 47 residues pruned to eliminate duplicates Z: 62 70.716 2.294 1.012 0.750 0.918 0.508 CB 1.710 62 residues pruned to eliminate duplicates Z: 47 65.881 2.333 1.131 0.772 0.913 0.391 CB 1.681 47 residues pruned to eliminate duplicates Z: 72 73.255 2.292 1.024 0.733 0.930 0.577 CB 1.635 72 residues pruned to eliminate duplicates Z: 58 78.862 2.337 0.998 0.783 0.965 0.421 CB 1.806 58 residues pruned to eliminate duplicates Z: 98 75.955 2.236 0.935 0.715 0.938 0.464 CB 1.564 98 residues pruned to eliminate duplicates Z: 68 65.500 2.228 1.038 0.691 0.910 0.537 CB 1.625 68 residues pruned to eliminate duplicates Z: 60 81.046 2.314 1.082 0.813 0.966 0.508 CB 1.726 60 residues pruned to eliminate duplicates Z: 44 66.987 2.314 1.003 0.766 0.953 0.442 CB 1.826 44 residues pruned to eliminate duplicates Z: 74 67.126 2.214 0.993 0.756 0.890 0.534 CB 1.592 74 residues pruned to eliminate duplicates Z: 47 59.120 2.233 0.991 0.749 0.913 0.326 CB 1.719 47 residues pruned to eliminate duplicates Z: 102 78.533 2.236 0.926 0.719 0.941 0.475 CB 1.583 102 residues pruned to eliminate duplicates Z: 69 74.775 2.298 1.036 0.741 0.941 0.500 CB 1.659 69 residues pruned to eliminate duplicates Z: 70 74.403 2.277 1.034 0.759 0.928 0.536 CB 1.656 70 residues pruned to eliminate duplicates Z: 60 73.389 2.312 1.075 0.761 0.932 0.610 CB 1.694 60 residues pruned to eliminate duplicates Z: 63 71.798 2.306 1.088 0.768 0.919 0.484 CB 1.625 63 residues pruned to eliminate duplicates Z: 61 71.177 2.279 1.037 0.753 0.950 0.467 CB 1.664 61 residues pruned to eliminate duplicates Z: 99 74.934 2.180 0.917 0.720 0.918 0.561 CB 1.616 99 residues pruned to eliminate duplicates Z: 70 74.823 2.284 1.064 0.743 0.928 0.507 CB 1.658 70 residues pruned to eliminate duplicates Z: 73 79.132 2.271 1.066 0.757 0.958 0.583 CB 1.650 73 residues pruned to eliminate duplicates Z: 57 61.199 2.226 1.001 0.724 0.911 0.339 CB 1.647 57 residues pruned to eliminate duplicates Z: 100 80.394 2.186 0.980 0.731 0.929 0.596 CB 1.632 100 residues pruned to eliminate duplicates Z: 43 43.307 2.122 0.907 0.691 0.881 0.595 CB 1.574 43 residues pruned to eliminate duplicates Z: 102 66.145 2.160 0.782 0.671 0.911 0.614 CB 1.602 102 residues pruned to eliminate duplicates Z: 40 42.169 2.155 0.870 0.667 0.897 0.513 CB 1.601 40 residues pruned to eliminate duplicates Z: 70 81.497 2.295 1.084 0.759 0.986 0.522 CB 1.653 70 residues pruned to eliminate duplicates Z: 70 78.199 2.282 1.077 0.751 0.957 0.478 CB 1.660 70 residues pruned to eliminate duplicates Z: 12 21.474 2.052 0.742 0.728 1.000 0.727 CB 1.475 12 residues pruned to eliminate duplicates Z: 72 74.254 2.259 1.042 0.737 0.944 0.479 CB 1.636 72 residues pruned to eliminate duplicates Z: 67 60.392 2.207 0.952 0.695 0.909 0.455 CB 1.589 67 residues pruned to eliminate duplicates Z: 43 37.573 1.974 0.818 0.680 0.929 0.690 CB 1.474 43 residues pruned to eliminate duplicates Z: 113 83.500 2.212 0.873 0.703 0.946 0.607 CA 1.673 114 residues pruned to eliminate duplicates Z: 16 16.964 1.650 0.663 0.878 1.000 0.867 CA 1.159 16 residues pruned to eliminate duplicates Z: 100 71.238 2.171 0.801 0.671 0.949 0.566 CB 1.647 100 residues pruned to eliminate duplicates Z: 38 35.299 1.986 0.730 0.696 0.946 0.784 CA 1.493 38 residues pruned to eliminate duplicates Z: 40 35.216 1.970 0.671 0.715 0.949 0.769 CB 1.487 40 residues pruned to eliminate duplicates Z: 75 72.043 2.225 0.975 0.753 0.959 0.514 CB 1.585 75 residues pruned to eliminate duplicates Z: 44 30.271 2.103 0.459 0.587 0.907 0.628 CA 1.526 44 residues pruned to eliminate duplicates Z: 18 21.634 1.984 0.612 0.772 0.941 0.765 CA 1.370 18 residues pruned to eliminate duplicates Z: 99 75.444 2.188 0.921 0.723 0.918 0.490 CB 1.614 99 residues pruned to eliminate duplicates Z: 102 79.523 2.179 0.949 0.712 0.950 0.545 CB 1.616 102 residues pruned to eliminate duplicates Z: 100 78.637 2.189 0.935 0.725 0.949 0.596 CB 1.605 100 residues pruned to eliminate duplicates Z: 114 79.906 2.206 0.877 0.708 0.920 0.549 CB 1.634 114 residues pruned to eliminate duplicates Z: 40 35.610 2.112 0.674 0.615 0.949 0.718 CA 1.526 40 residues pruned to eliminate duplicates Z: 42 33.328 2.113 0.613 0.597 0.927 0.585 CA 1.502 42 residues pruned to eliminate duplicates Z: 45 34.036 2.056 0.627 0.592 0.909 0.636 CA 1.544 45 residues pruned to eliminate duplicates Z: 115 71.801 2.138 0.854 0.669 0.904 0.518 CB 1.608 115 residues pruned to eliminate duplicates Z: 116 83.148 2.198 0.918 0.698 0.939 0.496 CB 1.635 116 residues pruned to eliminate duplicates Z: 41 36.678 2.103 0.611 0.636 0.975 0.700 CA 1.546 41 residues pruned to eliminate duplicates Z: 45 32.046 2.029 0.668 0.579 0.886 0.659 CA 1.493 45 residues pruned to eliminate duplicates Z: 45 33.910 2.017 0.669 0.608 0.932 0.636 CB 1.471 44 residues pruned to eliminate duplicates Z: 17 26.583 1.975 0.811 0.872 1.000 0.562 CA 1.354 17 residues pruned to eliminate duplicates Z: 24 31.694 2.045 0.872 0.700 0.957 0.696 CA 1.503 24 residues pruned to eliminate duplicates Z: 43 30.457 2.053 0.602 0.569 0.905 0.643 CA 1.477 43 residues pruned to eliminate duplicates Z: 116 75.930 2.162 0.890 0.677 0.922 0.530 CB 1.597 116 residues pruned to eliminate duplicates Z: 115 81.746 2.184 0.853 0.711 0.956 0.570 CB 1.633 115 residues pruned to eliminate duplicates Z: 116 79.808 2.175 0.900 0.676 0.939 0.583 CB 1.631 119 residues pruned to eliminate duplicates Z: 6 6.342 1.415 1.108 0.483 1.000 0.600 CA 0.967 6 residues pruned to eliminate duplicates Z: 115 79.790 2.206 0.840 0.715 0.930 0.526 CB 1.630 115 residues pruned to eliminate duplicates Z: 114 89.337 2.207 0.971 0.708 0.965 0.558 CB 1.658 115 residues pruned to eliminate duplicates Z: 6 4.108 1.547 0.320 0.368 0.800 0.200 CA 1.295 6 residues pruned to eliminate duplicates Z: 18 16.100 2.207 0.385 0.451 0.882 0.588 CA 1.522 18 residues pruned to eliminate duplicates Z: 18 15.894 2.241 0.239 0.433 0.941 0.588 CA 1.581 18 residues pruned to eliminate duplicates Z: 115 79.700 2.198 0.829 0.708 0.947 0.588 CB 1.623 115 residues pruned to eliminate duplicates Z: 54 35.879 2.034 0.568 0.597 0.943 0.623 CA 1.494 54 residues pruned to eliminate duplicates Z: 114 78.336 2.203 0.865 0.686 0.938 0.584 CB 1.612 114 residues pruned to eliminate duplicates Z: 41 34.194 2.100 0.606 0.595 0.950 0.650 CA 1.541 41 residues pruned to eliminate duplicates Z: 18 14.317 2.194 0.121 0.531 0.882 0.824 CA 1.551 18 residues pruned to eliminate duplicates Z: 113 71.674 2.184 0.829 0.690 0.893 0.518 CB 1.596 113 residues pruned to eliminate duplicates Z: 41 37.379 2.105 0.756 0.618 0.925 0.650 CA 1.546 41 residues pruned to eliminate duplicates Z: 18 19.814 2.222 0.512 0.457 0.941 0.706 CB 1.588 18 residues pruned to eliminate duplicates Z: 11 17.986 2.093 0.513 0.808 1.000 0.600 CA 1.373 11 residues pruned to eliminate duplicates Z: 7 13.249 2.050 0.974 0.525 0.833 0.667 CB 1.565 7 residues pruned to eliminate duplicates Z: 7 11.758 2.124 0.776 0.483 0.833 0.833 CA 1.553 7 residues pruned to eliminate duplicates Z: 7 8.822 2.085 0.310 0.555 0.833 0.667 CA 1.499 7 residues pruned to eliminate duplicates Z: 6 4.241 1.763 -0.150 0.859 1.000 0.600 CB 0.932 6 residues pruned to eliminate duplicates Z: 7 6.585 1.785 0.055 0.849 1.000 0.833 CB 1.057 7 residues pruned to eliminate duplicates Z: 8 6.453 1.680 0.133 0.845 1.000 0.571 CB 0.952 8 residues pruned to eliminate duplicates Z: 8 6.825 1.668 0.302 0.854 1.000 0.857 CB 0.877 7 residues pruned to eliminate duplicates Z: 8 6.725 1.692 0.289 0.880 1.000 0.429 CB 0.845 8 residues pruned to eliminate duplicates Z: 7 6.370 1.755 0.139 0.860 1.000 0.833 CB 0.956 7 residues pruned to eliminate duplicates Z: 10 12.661 1.627 0.731 0.738 0.889 0.556 CB 1.361 10 residues pruned to eliminate duplicates Z: 10 8.892 1.660 0.573 0.607 0.889 0.222 CB 1.153 10 residues pruned to eliminate duplicates Z: 9 15.174 1.704 0.746 0.890 0.875 0.500 CB 1.483 9 residues pruned to eliminate duplicates Z: 11 10.092 1.616 0.553 0.665 0.900 0.300 CB 1.212 11 residues pruned to eliminate duplicates Z: 20 9.941 1.670 0.498 0.429 0.789 0.421 CB 1.243 20 residues pruned to eliminate duplicates Z: 10 9.010 1.705 0.451 0.617 0.778 0.444 CB 1.397 10 residues pruned to eliminate duplicates Z: 36 14.932 1.823 0.530 0.424 0.800 0.257 CB 1.225 36 residues pruned to eliminate duplicates Z: 13 7.832 1.586 0.510 0.598 0.667 0.167 CB 1.289 13 residues pruned to eliminate duplicates Z: 12 7.570 1.614 0.591 0.605 0.727 0.273 CB 1.106 12 residues pruned to eliminate duplicates Z: 33 18.030 1.921 0.634 0.459 0.812 0.469 CB 1.303 33 residues pruned to eliminate duplicates Z: 12 5.165 1.736 0.403 0.383 0.909 0.455 CB 0.796 12 residues pruned to eliminate duplicates Z: 36 13.149 1.892 0.373 0.351 0.829 0.400 CB 1.214 36 residues pruned to eliminate duplicates Z: 29 14.649 2.053 0.412 0.407 0.821 0.429 CB 1.281 29 residues pruned to eliminate duplicates Z: 34 24.154 2.006 0.558 0.586 0.909 0.394 CB 1.362 34 residues pruned to eliminate duplicates Z: 32 19.905 2.001 0.473 0.562 0.839 0.516 CB 1.362 32 residues pruned to eliminate duplicates Z: 8 9.359 1.952 0.408 0.613 1.000 0.571 CB 1.156 8 residues pruned to eliminate duplicates Z: 44 22.391 1.940 0.498 0.577 0.860 0.465 CB 1.268 44 residues pruned to eliminate duplicates Z: 40 20.531 1.939 0.530 0.532 0.846 0.359 CB 1.269 40 residues pruned to eliminate duplicates Z: 30 13.892 1.933 0.498 0.457 0.793 0.379 CB 1.173 30 residues pruned to eliminate duplicates Z: 46 21.997 1.897 0.508 0.559 0.867 0.422 CB 1.249 46 residues pruned to eliminate duplicates Z: 58 34.127 1.984 0.603 0.580 0.930 0.561 CB 1.416 58 residues pruned to eliminate duplicates Z: 27 14.410 1.959 0.392 0.543 0.808 0.385 CB 1.230 27 residues pruned to eliminate duplicates Z: 35 21.460 1.981 0.515 0.561 0.971 0.618 CB 1.191 35 residues pruned to eliminate duplicates Z: 12 20.666 2.280 0.634 0.607 0.909 0.545 CB 1.661 12 residues pruned to eliminate duplicates Z: 23 17.207 2.047 0.602 0.492 0.955 0.545 CB 1.181 23 residues pruned to eliminate duplicates Z: 46 25.361 1.903 0.598 0.553 0.911 0.511 CB 1.295 46 residues pruned to eliminate duplicates Z: 31 21.612 1.927 0.760 0.541 0.900 0.433 CB 1.242 31 residues pruned to eliminate duplicates Z: 22 29.244 2.068 0.809 0.679 1.000 0.524 CB 1.447 22 residues pruned to eliminate duplicates Z: 25 24.411 2.078 0.614 0.631 0.917 0.458 CB 1.433 25 residues pruned to eliminate duplicates Z: 57 23.990 1.866 0.559 0.546 0.875 0.571 CB 1.205 57 residues pruned to eliminate duplicates Z: 27 26.109 2.036 0.794 0.597 0.923 0.462 CB 1.385 27 residues pruned to eliminate duplicates Z: 51 25.285 1.897 0.616 0.574 0.880 0.480 CB 1.235 51 residues pruned to eliminate duplicates Z: 37 21.830 1.965 0.536 0.541 0.944 0.611 CB 1.227 37 residues pruned to eliminate duplicates Z: 29 21.103 2.004 0.541 0.611 0.893 0.714 CB 1.302 29 residues pruned to eliminate duplicates Z: 43 22.905 1.935 0.482 0.560 0.905 0.524 CB 1.285 43 residues pruned to eliminate duplicates Z: 17 16.174 1.791 0.540 0.565 0.938 0.625 CB 1.468 17 residues pruned to eliminate duplicates Z: 23 25.853 2.018 0.817 0.650 0.909 0.545 CB 1.438 23 residues pruned to eliminate duplicates Z: 30 19.003 1.889 0.608 0.548 0.828 0.448 CB 1.340 37 residues pruned to eliminate duplicates Z: 45 25.028 1.899 0.530 0.593 0.932 0.409 CB 1.275 45 residues pruned to eliminate duplicates Z: 26 20.732 2.028 0.491 0.649 0.880 0.560 CB 1.356 26 residues pruned to eliminate duplicates Z: 45 25.277 1.947 0.638 0.583 0.909 0.500 CB 1.214 45 residues pruned to eliminate duplicates Z: 35 19.610 1.964 0.385 0.580 0.912 0.500 CB 1.256 35 residues pruned to eliminate duplicates Z: 39 25.406 1.973 0.556 0.613 0.947 0.553 CB 1.273 39 residues pruned to eliminate duplicates Z: 47 23.871 1.913 0.540 0.583 0.957 0.587 CB 1.153 47 residues pruned to eliminate duplicates Z: 16 12.097 1.980 0.604 0.562 0.800 0.200 CB 1.158 16 residues pruned to eliminate duplicates Z: 18 14.756 1.945 0.736 0.480 0.882 0.235 CB 1.225 18 residues pruned to eliminate duplicates Z: 17 15.015 1.972 0.720 0.596 0.938 0.375 CB 1.077 17 residues pruned to eliminate duplicates Z: 11 18.103 2.160 0.812 0.718 0.900 0.400 CB 1.334 11 residues pruned to eliminate duplicates Z: 14 13.043 2.044 0.555 0.557 0.846 0.231 CB 1.272 14 residues pruned to eliminate duplicates Z: 17 13.854 1.975 0.863 0.610 0.812 0.375 CB 1.044 17 residues pruned to eliminate duplicates Z: 18 15.497 1.972 0.709 0.564 0.882 0.412 CB 1.188 18 residues pruned to eliminate duplicates Z: 18 15.399 1.926 0.697 0.514 0.882 0.412 CB 1.277 18 residues pruned to eliminate duplicates Z: 18 13.531 1.847 0.632 0.564 0.882 0.412 CB 1.160 18 residues pruned to eliminate duplicates Z: 13 13.867 1.650 0.386 0.755 1.000 0.500 CA 1.396 13 residues pruned to eliminate duplicates Z: 25 15.766 1.793 0.316 0.605 0.917 0.542 CB 1.347 25 residues pruned to eliminate duplicates Z: 22 16.950 1.919 0.374 0.625 0.905 0.571 CB 1.379 22 residues pruned to eliminate duplicates Z: 19 16.142 1.869 0.438 0.588 0.889 0.556 CB 1.463 19 residues pruned to eliminate duplicates Z: 14 10.015 1.691 0.338 0.695 0.769 0.462 CB 1.336 14 residues pruned to eliminate duplicates Z: 21 15.837 1.906 0.324 0.545 0.900 0.650 CB 1.492 21 residues pruned to eliminate duplicates Z: 22 15.913 1.875 0.376 0.608 0.857 0.524 CB 1.417 22 residues pruned to eliminate duplicates Z: 22 20.985 1.909 0.519 0.619 0.952 0.571 CB 1.482 22 residues pruned to eliminate duplicates Z: 10 11.528 1.791 0.341 0.839 0.778 0.556 N 1.535 10 residues pruned to eliminate duplicates Z: 22 17.392 1.918 0.470 0.636 0.857 0.571 CB 1.383 22 residues pruned to eliminate duplicates Z: 24 13.523 1.822 0.330 0.573 0.783 0.522 CB 1.385 24 residues pruned to eliminate duplicates Z: 25 16.712 1.861 0.343 0.609 0.875 0.625 CB 1.407 25 residues pruned to eliminate duplicates Z: 21 18.123 1.933 0.539 0.573 0.850 0.700 CB 1.493 21 residues pruned to eliminate duplicates Z: 23 16.519 1.893 0.396 0.669 0.818 0.591 CB 1.394 23 residues pruned to eliminate duplicates Z: 28 15.011 1.805 0.382 0.529 0.889 0.593 CB 1.266 23 residues pruned to eliminate duplicates Z: 6 4.018 1.650 -0.025 0.390 1.000 0.400 CA 1.254 6 residues pruned to eliminate duplicates Z: 21 18.668 1.925 0.495 0.611 0.900 0.500 CB 1.450 27 residues pruned to eliminate duplicates Z: 6 6.979 1.759 0.266 0.692 1.000 0.800 CA 1.176 6 residues pruned to eliminate duplicates Z: 25 25.130 2.150 0.680 0.472 0.958 0.625 CB 1.524 26 residues pruned to eliminate duplicates Z: 9 11.199 1.855 0.428 0.572 1.000 0.500 CB 1.394 9 residues pruned to eliminate duplicates Z: 27 21.078 2.107 0.509 0.463 0.923 0.615 CB 1.462 27 residues pruned to eliminate duplicates Z: 27 20.700 2.116 0.463 0.453 0.923 0.538 CB 1.492 27 residues pruned to eliminate duplicates Z: 25 23.415 2.142 0.571 0.487 0.917 0.583 CB 1.570 25 residues pruned to eliminate duplicates Z: 35 18.201 1.992 0.373 0.423 0.912 0.471 CB 1.356 35 residues pruned to eliminate duplicates Z: 27 15.946 2.095 0.361 0.447 0.846 0.500 CB 1.369 27 residues pruned to eliminate duplicates Z: 25 20.066 2.124 0.538 0.476 0.875 0.583 CB 1.468 25 residues pruned to eliminate duplicates Z: 25 21.068 2.143 0.474 0.469 0.917 0.625 CB 1.532 25 residues pruned to eliminate duplicates Z: 26 22.319 2.155 0.461 0.484 0.960 0.400 CB 1.501 26 residues pruned to eliminate duplicates Z: 25 22.389 2.157 0.589 0.457 0.917 0.542 CB 1.520 25 residues pruned to eliminate duplicates Z: 25 18.881 2.148 0.453 0.459 0.875 0.542 CB 1.471 25 residues pruned to eliminate duplicates Z: 25 22.060 2.144 0.636 0.460 0.875 0.458 CB 1.529 25 residues pruned to eliminate duplicates Z: 25 22.551 2.158 0.519 0.455 0.958 0.417 CB 1.535 25 residues pruned to eliminate duplicates Z: 27 19.370 2.128 0.467 0.487 0.846 0.615 CB 1.457 27 residues pruned to eliminate duplicates Z: 26 18.827 2.119 0.494 0.436 0.880 0.560 CB 1.444 26 residues pruned to eliminate duplicates Z: 26 17.994 2.106 0.442 0.499 0.840 0.480 CB 1.412 26 residues pruned to eliminate duplicates Z: 26 19.980 2.118 0.553 0.516 0.840 0.560 CB 1.423 26 residues pruned to eliminate duplicates Z: 25 21.412 2.120 0.527 0.458 0.917 0.500 CB 1.538 25 residues pruned to eliminate duplicates Z: 26 21.581 2.144 0.512 0.496 0.880 0.560 CB 1.518 26 residues pruned to eliminate duplicates Z: 36 14.611 1.946 0.457 0.396 0.800 0.486 CB 1.215 36 residues pruned to eliminate duplicates Z: 27 20.681 2.132 0.436 0.469 0.923 0.462 CB 1.481 27 residues pruned to eliminate duplicates Z: 27 18.229 2.083 0.528 0.460 0.846 0.462 CB 1.382 27 residues pruned to eliminate duplicates Z: 27 20.027 2.106 0.467 0.450 0.923 0.346 CB 1.450 27 residues pruned to eliminate duplicates Z: 59 39.493 2.103 0.517 0.612 0.948 0.655 CB 1.542 59 residues pruned to eliminate duplicates Z: 57 39.455 2.115 0.643 0.642 0.893 0.661 CB 1.488 57 residues pruned to eliminate duplicates Z: 25 19.459 2.026 0.661 0.592 0.833 0.750 CB 1.297 25 residues pruned to eliminate duplicates Z: 49 46.727 2.135 0.687 0.683 0.938 0.729 CB 1.689 49 residues pruned to eliminate duplicates Z: 49 45.023 2.134 0.602 0.703 0.958 0.771 CB 1.649 49 residues pruned to eliminate duplicates Z: 49 43.840 2.139 0.587 0.674 0.938 0.792 CB 1.693 49 residues pruned to eliminate duplicates Z: 54 48.831 2.072 0.700 0.697 0.981 0.755 CB 1.623 54 residues pruned to eliminate duplicates Z: 16 27.846 2.094 1.014 0.741 0.867 0.733 CB 1.585 16 residues pruned to eliminate duplicates Z: 48 50.890 2.153 0.744 0.720 0.957 0.660 CB 1.693 48 residues pruned to eliminate duplicates Z: 14 34.914 2.168 0.975 0.904 1.000 0.692 N 1.610 14 residues pruned to eliminate duplicates Z: 15 39.075 2.148 1.082 0.905 1.000 0.714 CA 1.662 14 residues pruned to eliminate duplicates Z: 15 36.678 2.163 0.897 0.877 1.000 0.786 N 1.734 15 residues pruned to eliminate duplicates Z: 15 30.404 2.031 1.093 0.869 0.929 0.429 N 1.505 15 residues pruned to eliminate duplicates Z: 52 47.508 2.107 0.655 0.724 0.941 0.765 CB 1.656 52 residues pruned to eliminate duplicates Z: 49 46.304 2.135 0.663 0.706 0.938 0.646 CB 1.665 49 residues pruned to eliminate duplicates Z: 52 43.921 2.098 0.675 0.692 0.902 0.667 CB 1.627 52 residues pruned to eliminate duplicates Z: 55 47.640 2.066 0.700 0.684 0.963 0.741 CB 1.618 55 residues pruned to eliminate duplicates Z: 51 50.860 2.127 0.702 0.731 0.960 0.760 CB 1.682 51 residues pruned to eliminate duplicates Z: 53 48.041 2.088 0.704 0.696 0.962 0.654 CB 1.628 53 residues pruned to eliminate duplicates Z: 53 51.818 2.086 0.697 0.702 0.981 0.731 CB 1.721 53 residues pruned to eliminate duplicates Z: 53 46.641 2.085 0.764 0.695 0.923 0.750 CB 1.594 53 residues pruned to eliminate duplicates Z: 52 45.417 2.103 0.690 0.655 0.961 0.725 CB 1.613 52 residues pruned to eliminate duplicates Z: 52 46.679 2.078 0.752 0.689 0.902 0.588 CB 1.674 52 residues pruned to eliminate duplicates Z: 49 50.708 2.127 0.786 0.684 0.979 0.688 CB 1.662 49 residues pruned to eliminate duplicates Z: 34 39.704 2.126 0.672 0.699 0.939 0.697 CB 1.726 34 residues pruned to eliminate duplicates Z: 32 38.585 2.190 0.591 0.694 0.968 0.839 CB 1.722 32 residues pruned to eliminate duplicates Z: 55 46.470 2.046 0.744 0.682 0.926 0.704 CB 1.619 55 residues pruned to eliminate duplicates Z: 47 54.316 2.192 0.847 0.724 0.957 0.804 CB 1.690 47 residues pruned to eliminate duplicates Z: 33 35.603 2.111 0.626 0.674 0.938 0.781 CB 1.667 33 residues pruned to eliminate duplicates Z: 48 48.023 2.153 0.641 0.712 0.957 0.787 CB 1.709 48 residues pruned to eliminate duplicates Z: 48 46.248 2.136 0.724 0.698 0.936 0.723 CB 1.633 48 residues pruned to eliminate duplicates Z: 52 52.896 2.118 0.786 0.717 0.961 0.706 CB 1.674 52 residues pruned to eliminate duplicates Z: 24 30.808 1.863 0.686 0.844 1.000 0.913 CA 1.522 24 residues pruned to eliminate duplicates Z: 48 48.926 2.153 0.740 0.693 0.936 0.681 CB 1.705 48 residues pruned to eliminate duplicates Z: 49 53.680 2.143 0.782 0.720 0.958 0.708 CB 1.736 49 residues pruned to eliminate duplicates Z: 50 53.494 2.124 0.789 0.736 0.959 0.755 CB 1.697 50 residues pruned to eliminate duplicates Z: 52 51.826 2.110 0.715 0.722 0.980 0.765 CB 1.674 52 residues pruned to eliminate duplicates Z: 48 50.569 2.148 0.788 0.680 0.979 0.660 CB 1.663 48 residues pruned to eliminate duplicates Z: 37 43.932 2.104 0.697 0.704 1.000 0.778 CB 1.703 38 residues pruned to eliminate duplicates Z: 17 36.179 2.066 0.897 0.930 1.000 0.812 CA 1.614 17 residues pruned to eliminate duplicates Z: 48 51.706 2.161 0.851 0.701 0.957 0.638 CB 1.639 48 residues pruned to eliminate duplicates Z: 48 52.988 2.159 0.910 0.703 0.936 0.723 CB 1.664 48 residues pruned to eliminate duplicates Z: 47 54.547 2.190 0.820 0.723 0.978 0.739 CB 1.686 47 residues pruned to eliminate duplicates Z: 35 33.337 2.106 0.628 0.643 0.941 0.735 CB 1.550 35 residues pruned to eliminate duplicates Z: 52 55.640 2.119 0.833 0.730 0.980 0.765 CB 1.663 52 residues pruned to eliminate duplicates Z: 33 37.720 2.121 0.740 0.654 0.938 0.688 CB 1.669 33 residues pruned to eliminate duplicates Z: 49 53.424 2.144 0.916 0.696 0.938 0.708 CB 1.674 49 residues pruned to eliminate duplicates Z: 23 29.977 1.802 0.767 0.862 0.955 0.455 N 1.544 21 residues pruned to eliminate duplicates Z: 22 33.029 1.879 0.673 0.915 1.000 0.810 CB 1.620 22 residues pruned to eliminate duplicates Z: 55 46.918 2.039 0.787 0.685 0.963 0.685 CB 1.536 55 residues pruned to eliminate duplicates Z: 38 40.140 2.085 0.646 0.685 1.000 0.649 CB 1.623 38 residues pruned to eliminate duplicates Z: 54 50.070 2.078 0.838 0.714 0.925 0.774 CB 1.605 55 residues pruned to eliminate duplicates Z: 6 7.057 1.941 0.352 0.377 1.000 0.400 CA 1.371 6 residues pruned to eliminate duplicates Z: 18 11.606 1.982 0.546 0.294 0.824 0.588 CB 1.406 18 residues pruned to eliminate duplicates Z: 26 23.735 2.148 0.552 0.519 0.920 0.560 CB 1.519 26 residues pruned to eliminate duplicates Z: 33 24.881 2.122 0.712 0.451 0.875 0.531 CB 1.455 33 residues pruned to eliminate duplicates Z: 30 19.752 2.082 0.509 0.419 0.862 0.552 CB 1.474 30 residues pruned to eliminate duplicates Z: 27 17.227 2.089 0.543 0.364 0.846 0.423 CB 1.434 27 residues pruned to eliminate duplicates Z: 28 25.467 2.150 0.635 0.474 0.963 0.519 CB 1.486 28 residues pruned to eliminate duplicates Z: 37 23.270 2.128 0.502 0.422 0.917 0.583 CB 1.437 37 residues pruned to eliminate duplicates Z: 30 21.012 2.088 0.510 0.424 0.897 0.655 CB 1.493 30 residues pruned to eliminate duplicates Z: 25 22.449 2.106 0.700 0.475 0.833 0.542 CA 1.575 25 residues pruned to eliminate duplicates Z: 40 25.360 2.114 0.590 0.440 0.897 0.487 CB 1.433 40 residues pruned to eliminate duplicates Z: 27 16.895 2.030 0.545 0.466 0.769 0.577 CB 1.423 27 residues pruned to eliminate duplicates Z: 76 43.259 2.116 0.701 0.484 0.893 0.600 CB 1.579 84 residues pruned to eliminate duplicates Z: 12 16.857 2.133 0.526 0.691 0.818 0.545 CB 1.602 12 residues pruned to eliminate duplicates Z: 28 20.091 2.126 0.422 0.437 0.889 0.519 CB 1.535 26 residues pruned to eliminate duplicates Z: 14 12.841 1.773 0.454 0.723 0.923 0.615 CB 1.223 14 residues pruned to eliminate duplicates Z: 37 22.595 2.103 0.419 0.408 0.917 0.583 CB 1.516 36 residues pruned to eliminate duplicates Z: 13 18.027 2.017 0.667 0.749 0.833 0.667 CB 1.488 13 residues pruned to eliminate duplicates Z: 75 43.264 2.149 0.625 0.475 0.919 0.649 CA 1.607 75 residues pruned to eliminate duplicates Z: 12 16.636 1.967 0.488 0.739 0.909 0.636 CB 1.521 12 residues pruned to eliminate duplicates Z: 29 21.734 2.118 0.471 0.437 0.929 0.464 CB 1.515 29 residues pruned to eliminate duplicates Z: 43 36.786 2.256 0.661 0.547 0.881 0.595 CA 1.642 43 residues pruned to eliminate duplicates Z: 59 34.491 2.205 0.538 0.456 0.879 0.483 CB 1.589 59 residues pruned to eliminate duplicates Z: 35 23.715 2.136 0.553 0.421 0.882 0.647 CB 1.509 35 residues pruned to eliminate duplicates Z: 72 41.324 2.178 0.564 0.485 0.901 0.620 CA 1.621 72 residues pruned to eliminate duplicates Z: 57 35.345 2.207 0.555 0.467 0.911 0.571 CB 1.563 57 residues pruned to eliminate duplicates Z: 46 38.784 2.245 0.629 0.533 0.911 0.644 CB 1.679 46 residues pruned to eliminate duplicates Z: 39 20.390 2.085 0.464 0.402 0.789 0.500 CB 1.521 39 residues pruned to eliminate duplicates Z: 57 33.734 2.081 0.567 0.454 0.929 0.536 CB 1.560 57 residues pruned to eliminate duplicates Z: 83 42.868 2.088 0.557 0.510 0.939 0.646 CB 1.537 83 residues pruned to eliminate duplicates Z: 37 24.199 2.100 0.510 0.421 0.917 0.583 CB 1.506 37 residues pruned to eliminate duplicates Z: 42 30.722 2.288 0.423 0.553 0.829 0.634 CA 1.687 42 residues pruned to eliminate duplicates Z: 60 36.050 2.161 0.578 0.509 0.864 0.610 CA 1.578 60 residues pruned to eliminate duplicates Z: 69 44.561 2.207 0.616 0.491 0.926 0.618 CB 1.650 69 residues pruned to eliminate duplicates Z: 60 34.977 2.187 0.576 0.460 0.864 0.610 CB 1.593 60 residues pruned to eliminate duplicates Z: 54 32.196 2.180 0.537 0.502 0.830 0.585 CB 1.586 54 residues pruned to eliminate duplicates Z: 26 24.740 2.196 0.707 0.513 0.800 0.680 CA 1.629 26 residues pruned to eliminate duplicates Z: 53 37.089 2.224 0.624 0.498 0.865 0.615 CA 1.648 53 residues pruned to eliminate duplicates Z: 59 36.397 2.206 0.580 0.463 0.879 0.586 CB 1.619 59 residues pruned to eliminate duplicates Z: 74 41.959 2.161 0.577 0.475 0.918 0.548 CB 1.609 74 residues pruned to eliminate duplicates Z: 31 28.854 2.182 0.642 0.608 0.800 0.700 CB 1.659 31 residues pruned to eliminate duplicates Z: 34 31.946 2.206 0.631 0.560 0.909 0.636 CB 1.603 34 residues pruned to eliminate duplicates Z: 42 32.210 2.090 0.667 0.546 0.878 0.561 CB 1.573 42 residues pruned to eliminate duplicates Z: 24 22.606 2.217 0.540 0.563 0.826 0.652 CB 1.573 24 residues pruned to eliminate duplicates Z: 59 31.221 2.182 0.484 0.441 0.845 0.517 CA 1.592 59 residues pruned to eliminate duplicates Z: 37 33.675 2.106 0.787 0.518 0.889 0.528 CB 1.648 37 residues pruned to eliminate duplicates Z: 85 42.744 2.129 0.690 0.494 0.833 0.536 CB 1.565 85 residues pruned to eliminate duplicates Z: 58 34.958 2.207 0.611 0.485 0.842 0.544 CB 1.570 58 residues pruned to eliminate duplicates Z: 62 38.856 2.127 0.581 0.558 0.869 0.639 CB 1.610 62 residues pruned to eliminate duplicates Z: 81 34.420 2.054 0.584 0.404 0.850 0.463 CB 1.539 81 residues pruned to eliminate duplicates Z: 76 39.695 2.125 0.642 0.450 0.893 0.507 CB 1.548 76 residues pruned to eliminate duplicates Z: 50 35.543 2.079 0.707 0.546 0.878 0.531 CB 1.558 50 residues pruned to eliminate duplicates Z: 39 33.262 2.185 0.611 0.538 0.895 0.658 CA 1.650 39 residues pruned to eliminate duplicates Z: 46 35.029 2.071 0.670 0.583 0.911 0.689 CB 1.531 46 residues pruned to eliminate duplicates Z: 64 41.561 2.095 0.717 0.540 0.937 0.524 CB 1.494 64 residues pruned to eliminate duplicates Z: 124 60.192 2.158 0.677 0.569 0.886 0.626 CB 1.583 213 residues pruned to eliminate duplicates Z: 28 41.177 2.170 0.982 0.715 0.963 0.593 CB 1.575 Z: 9 6.743 1.831 0.012 0.552 0.875 0.500 CB 1.398 9 residues pruned to eliminate duplicates Z: 79 38.125 2.117 0.628 0.434 0.872 0.526 CB 1.538 39 residues pruned to eliminate duplicates Z: 6 7.713 1.983 0.195 0.633 0.800 0.400 CB 1.606 6 residues pruned to eliminate duplicates Z: 27 21.458 2.014 0.755 0.497 0.808 0.615 CA 1.478 27 residues pruned to eliminate duplicates Z: 43 27.671 1.993 0.793 0.441 0.881 0.595 CB 1.441 43 residues pruned to eliminate duplicates Z: 77 35.850 2.138 0.589 0.440 0.816 0.539 CB 1.578 77 residues pruned to eliminate duplicates Z: 39 32.769 2.191 0.738 0.495 0.868 0.605 CB 1.615 39 residues pruned to eliminate duplicates Z: 44 25.220 2.035 0.783 0.477 0.791 0.535 CB 1.372 44 residues pruned to eliminate duplicates Z: 29 38.350 2.223 0.833 0.615 0.929 0.643 CB 1.718 29 residues pruned to eliminate duplicates Z: 47 26.327 1.933 0.688 0.468 0.804 0.457 CB 1.527 45 residues pruned to eliminate duplicates Z: 7 8.679 1.468 1.057 0.528 1.000 0.833 CA 1.141 7 residues pruned to eliminate duplicates Z: 24 15.017 1.833 0.623 0.539 0.826 0.478 CB 1.226 24 residues pruned to eliminate duplicates Z: 44 25.179 1.872 0.683 0.626 0.884 0.581 CB 1.224 44 residues pruned to eliminate duplicates Z: 8 6.606 1.915 0.627 0.292 0.714 0.571 CB 1.417 8 residues pruned to eliminate duplicates Z: 14 9.241 1.766 0.592 0.377 0.846 0.538 CB 1.229 14 residues pruned to eliminate duplicates Z: 20 10.147 1.890 0.507 0.261 0.789 0.526 CB 1.360 20 residues pruned to eliminate duplicates Z: 13 6.428 1.846 0.384 0.296 0.833 0.667 CB 1.094 13 residues pruned to eliminate duplicates Z: 86 38.108 2.115 0.557 0.479 0.894 0.588 CB 1.433 86 residues pruned to eliminate duplicates Z: 53 31.428 2.172 0.562 0.417 0.923 0.558 CB 1.517 53 residues pruned to eliminate duplicates Z: 73 39.600 2.147 0.559 0.486 0.944 0.597 CB 1.496 73 residues pruned to eliminate duplicates Z: 60 34.719 2.148 0.603 0.459 0.915 0.542 CB 1.496 60 residues pruned to eliminate duplicates Z: 99 44.206 2.088 0.698 0.525 0.827 0.541 CB 1.487 99 residues pruned to eliminate duplicates Z: 60 34.896 2.179 0.518 0.491 0.932 0.542 CB 1.487 60 residues pruned to eliminate duplicates Z: 28 12.418 1.982 0.394 0.424 0.815 0.333 CB 1.148 28 residues pruned to eliminate duplicates Z: 49 28.720 2.203 0.478 0.413 0.917 0.521 CB 1.521 49 residues pruned to eliminate duplicates Z: 52 31.859 2.167 0.597 0.471 0.882 0.510 CB 1.505 52 residues pruned to eliminate duplicates Z: 51 26.302 2.171 0.480 0.373 0.880 0.460 CB 1.506 51 residues pruned to eliminate duplicates Z: 66 33.249 2.145 0.619 0.469 0.815 0.508 CB 1.504 66 residues pruned to eliminate duplicates Z: 27 14.699 1.998 0.493 0.399 1.000 0.423 CB 1.075 27 residues pruned to eliminate duplicates Z: 42 30.698 2.247 0.521 0.467 0.951 0.488 CB 1.526 42 residues pruned to eliminate duplicates Z: 47 28.361 2.203 0.538 0.393 0.891 0.478 CB 1.551 47 residues pruned to eliminate duplicates Z: 56 33.873 2.194 0.523 0.451 0.945 0.545 CB 1.520 56 residues pruned to eliminate duplicates Z: 59 30.999 2.155 0.562 0.414 0.897 0.534 CB 1.477 59 residues pruned to eliminate duplicates Z: 47 30.943 2.235 0.584 0.459 0.913 0.587 CB 1.472 47 residues pruned to eliminate duplicates Z: 45 34.119 2.231 0.577 0.424 0.955 0.568 CB 1.657 45 residues pruned to eliminate duplicates Z: 67 46.507 2.201 0.695 0.571 0.939 0.652 CB 1.525 67 residues pruned to eliminate duplicates Z: 63 30.841 2.129 0.519 0.492 0.871 0.468 CB 1.401 63 residues pruned to eliminate duplicates Z: 70 38.300 2.133 0.638 0.498 0.899 0.594 CB 1.472 70 residues pruned to eliminate duplicates Z: 43 30.183 2.217 0.496 0.421 0.976 0.571 CB 1.563 43 residues pruned to eliminate duplicates Z: 60 42.047 2.218 0.508 0.586 0.966 0.644 CB 1.561 60 residues pruned to eliminate duplicates Z: 49 31.203 2.219 0.509 0.470 0.938 0.479 CB 1.479 49 residues pruned to eliminate duplicates Z: 60 30.581 2.149 0.576 0.449 0.898 0.475 CB 1.379 60 residues pruned to eliminate duplicates Z: 130 66.229 2.109 0.663 0.653 0.953 0.659 CB 1.512 130 residues pruned to eliminate duplicates Z: 60 32.901 2.087 0.640 0.451 0.915 0.508 CB 1.438 60 residues pruned to eliminate duplicates Z: 60 31.393 2.159 0.572 0.461 0.881 0.525 CB 1.422 60 residues pruned to eliminate duplicates Z: 61 32.701 2.148 0.617 0.473 0.883 0.500 CB 1.414 61 residues pruned to eliminate duplicates Z: 38 31.239 2.325 0.448 0.463 1.000 0.541 CB 1.584 38 residues pruned to eliminate duplicates Z: 36 31.430 2.321 0.554 0.414 0.943 0.571 CB 1.709 36 residues pruned to eliminate duplicates Z: 54 36.733 2.199 0.528 0.551 0.943 0.604 CB 1.514 54 residues pruned to eliminate duplicates Z: 48 27.219 2.158 0.575 0.363 0.915 0.511 CB 1.478 48 residues pruned to eliminate duplicates Z: 46 35.694 2.230 0.658 0.476 0.933 0.511 CB 1.579 46 residues pruned to eliminate duplicates Z: 46 31.009 2.197 0.570 0.474 0.911 0.556 CB 1.510 46 residues pruned to eliminate duplicates Z: 43 26.088 2.046 0.685 0.522 0.810 0.548 CB 1.410 43 residues pruned to eliminate duplicates Z: 57 27.845 2.099 0.637 0.384 0.875 0.589 CB 1.399 57 residues pruned to eliminate duplicates Z: 55 27.310 2.153 0.468 0.393 0.870 0.463 CB 1.512 55 residues pruned to eliminate duplicates Z: 40 34.581 2.319 0.635 0.415 0.974 0.462 CB 1.637 40 residues pruned to eliminate duplicates Z: 9 18.172 2.304 0.584 0.637 0.875 0.625 CA 1.769 9 residues pruned to eliminate duplicates Z: 64 31.439 2.101 0.635 0.420 0.889 0.603 CB 1.410 64 residues pruned to eliminate duplicates Z: 13 18.167 2.134 0.684 0.487 0.917 0.667 CA 1.613 13 residues pruned to eliminate duplicates Z: 38 23.605 2.011 0.729 0.548 0.757 0.568 CB 1.408 38 residues pruned to eliminate duplicates Z: 15 18.056 2.108 0.676 0.596 0.786 0.643 CB 1.587 15 residues pruned to eliminate duplicates Z: 15 13.352 2.031 0.584 0.571 0.786 0.500 CB 1.319 15 residues pruned to eliminate duplicates Z: 85 40.958 2.108 0.670 0.511 0.905 0.548 CB 1.388 85 residues pruned to eliminate duplicates Z: 36 39.712 2.134 0.794 0.705 0.943 0.714 CB 1.543 36 residues pruned to eliminate duplicates Z: 55 38.810 2.186 0.696 0.542 0.944 0.630 CB 1.447 55 residues pruned to eliminate duplicates Z: 72 46.259 2.173 0.714 0.537 0.930 0.577 CB 1.529 72 residues pruned to eliminate duplicates Z: 35 29.996 2.030 0.728 0.700 0.882 0.618 CB 1.385 35 residues pruned to eliminate duplicates Z: 39 38.788 2.098 0.740 0.684 0.947 0.632 CB 1.537 39 residues pruned to eliminate duplicates Z: 86 47.773 2.148 0.744 0.521 0.941 0.612 CB 1.439 86 residues pruned to eliminate duplicates Z: 40 37.803 2.120 0.731 0.650 0.949 0.615 CB 1.513 40 residues pruned to eliminate duplicates Z: 42 36.704 2.054 0.815 0.643 0.902 0.610 CB 1.490 42 residues pruned to eliminate duplicates Z: 74 42.196 2.152 0.684 0.525 0.918 0.507 CB 1.449 74 residues pruned to eliminate duplicates Z: 41 34.938 2.063 0.793 0.648 0.900 0.600 CB 1.445 41 residues pruned to eliminate duplicates Z: 83 49.358 2.156 0.744 0.558 0.939 0.598 CB 1.459 83 residues pruned to eliminate duplicates Z: 76 42.247 2.130 0.667 0.530 0.920 0.533 CB 1.449 76 residues pruned to eliminate duplicates Z: 101 65.344 2.058 0.846 0.740 0.930 0.600 CB 1.492 101 residues pruned to eliminate duplicates Z: 42 37.040 2.117 0.773 0.643 0.902 0.610 CB 1.495 42 residues pruned to eliminate duplicates Z: 69 48.211 2.195 0.744 0.554 0.941 0.588 CB 1.539 69 residues pruned to eliminate duplicates Z: 37 30.148 2.038 0.799 0.659 0.889 0.639 CB 1.330 37 residues pruned to eliminate duplicates Z: 73 45.420 2.168 0.760 0.535 0.903 0.528 CB 1.501 73 residues pruned to eliminate duplicates Z: 70 46.817 2.203 0.682 0.566 0.928 0.725 CB 1.538 70 residues pruned to eliminate duplicates Z: 61 46.816 2.114 0.876 0.652 0.933 0.617 CB 1.416 61 residues pruned to eliminate duplicates Z: 74 44.780 2.166 0.608 0.562 0.959 0.658 CB 1.478 74 residues pruned to eliminate duplicates Z: 54 47.756 2.100 0.829 0.728 0.925 0.642 CB 1.505 54 residues pruned to eliminate duplicates Z: 75 46.787 2.177 0.689 0.568 0.919 0.662 CB 1.507 75 residues pruned to eliminate duplicates Z: 11 9.804 2.022 -0.062 0.653 0.900 0.700 CA 1.575 11 residues pruned to eliminate duplicates Z: 84 43.042 2.121 0.635 0.500 0.928 0.446 CB 1.468 84 residues pruned to eliminate duplicates Z: 16 10.262 1.896 0.332 0.419 0.933 0.600 CB 1.223 16 residues pruned to eliminate duplicates Z: 74 44.642 2.149 0.666 0.537 0.945 0.534 CB 1.488 74 residues pruned to eliminate duplicates Z: 72 43.066 2.162 0.693 0.535 0.930 0.563 CB 1.452 72 residues pruned to eliminate duplicates Z: 148 68.099 2.095 0.662 0.638 0.946 0.585 CB 1.498 148 residues pruned to eliminate duplicates Z: 21 25.890 2.134 0.858 0.611 0.900 0.650 CB 1.460 21 residues pruned to eliminate duplicates Z: 54 49.072 2.093 0.784 0.767 0.906 0.547 CA 1.573 54 residues pruned to eliminate duplicates Z: 99 58.318 2.043 0.727 0.716 0.929 0.643 CB 1.479 99 residues pruned to eliminate duplicates Z: 94 49.048 2.158 0.680 0.550 0.925 0.602 CB 1.445 94 residues pruned to eliminate duplicates Z: 22 27.149 2.106 0.915 0.616 0.857 0.619 CB 1.535 22 residues pruned to eliminate duplicates Z: 63 56.208 2.050 0.836 0.770 0.952 0.710 CB 1.569 63 residues pruned to eliminate duplicates Z: 17 29.936 2.084 0.813 0.885 0.938 0.812 CA 1.526 17 residues pruned to eliminate duplicates Z: 99 56.923 2.048 0.675 0.723 0.908 0.633 CB 1.509 99 residues pruned to eliminate duplicates Z: 43 54.135 2.199 0.973 0.818 0.929 0.690 CA 1.573 43 residues pruned to eliminate duplicates Z: 56 45.231 2.059 0.732 0.717 0.909 0.655 CA 1.546 56 residues pruned to eliminate duplicates Z: 64 51.442 2.017 0.811 0.758 0.921 0.698 CB 1.532 64 residues pruned to eliminate duplicates Z: 15 39.247 2.301 1.309 0.906 0.929 0.643 CB 1.512 15 residues pruned to eliminate duplicates Z: 80 56.146 2.116 0.765 0.718 0.911 0.557 CB 1.524 80 residues pruned to eliminate duplicates Z: 62 55.757 2.063 0.775 0.777 0.967 0.590 CB 1.579 62 residues pruned to eliminate duplicates Z: 113 68.299 2.175 0.753 0.636 0.955 0.598 CB 1.559 113 residues pruned to eliminate duplicates Z: 62 55.004 2.057 0.752 0.791 0.967 0.672 CA 1.565 62 residues pruned to eliminate duplicates Z: 63 54.257 2.036 0.798 0.780 0.952 0.581 CB 1.546 63 residues pruned to eliminate duplicates Z: 78 53.355 2.004 0.725 0.713 0.948 0.636 CB 1.530 78 residues pruned to eliminate duplicates Z: 34 37.239 2.036 0.752 0.771 0.939 0.727 CA 1.522 34 residues pruned to eliminate duplicates Z: 151 64.318 2.056 0.690 0.627 0.920 0.540 CB 1.458 151 residues pruned to eliminate duplicates Z: 51 50.496 2.100 0.831 0.746 0.940 0.620 CA 1.586 51 residues pruned to eliminate duplicates Z: 61 49.198 2.028 0.710 0.783 0.933 0.683 CA 1.530 61 residues pruned to eliminate duplicates Z: 26 31.577 2.131 0.845 0.765 0.880 0.560 CB 1.443 26 residues pruned to eliminate duplicates Z: 53 37.405 2.004 0.653 0.670 0.904 0.538 CA 1.480 53 residues pruned to eliminate duplicates Z: 108 69.511 2.195 0.783 0.654 0.953 0.589 CB 1.561 108 residues pruned to eliminate duplicates Z: 85 56.508 2.042 0.821 0.699 0.917 0.595 CA 1.509 85 residues pruned to eliminate duplicates Z: 65 53.256 2.002 0.840 0.763 0.953 0.625 CB 1.501 65 residues pruned to eliminate duplicates Z: 48 42.528 1.942 0.692 0.763 0.957 0.702 CB 1.562 48 residues pruned to eliminate duplicates Z: 61 53.919 2.058 0.775 0.790 0.950 0.617 CB 1.555 61 residues pruned to eliminate duplicates Z: 52 37.677 1.932 0.687 0.736 0.863 0.529 CB 1.518 52 residues pruned to eliminate duplicates Z: 35 45.951 2.133 0.852 0.833 0.941 0.559 CB 1.591 35 residues pruned to eliminate duplicates Z: 73 49.480 2.015 0.769 0.743 0.889 0.583 CB 1.481 73 residues pruned to eliminate duplicates Z: 42 35.792 1.966 0.645 0.795 0.902 0.585 CA 1.478 42 residues pruned to eliminate duplicates Z: 63 48.767 2.003 0.715 0.775 0.935 0.484 CA 1.511 63 residues pruned to eliminate duplicates Z: 41 34.291 1.881 0.617 0.760 0.950 0.700 CB 1.489 41 residues pruned to eliminate duplicates Z: 132 65.754 2.104 0.784 0.650 0.893 0.588 CB 1.490 132 residues pruned to eliminate duplicates Z: 62 55.584 2.052 0.825 0.787 0.967 0.705 CB 1.526 63 residues pruned to eliminate duplicates Z: 22 28.319 2.035 0.723 0.929 0.952 0.381 CA 1.295 22 residues pruned to eliminate duplicates Z: 46 39.333 1.948 0.689 0.794 0.911 0.444 CB 1.512 46 residues pruned to eliminate duplicates Z: 98 65.071 2.050 0.853 0.737 0.948 0.515 CB 1.481 98 residues pruned to eliminate duplicates Z: 113 55.248 2.006 0.706 0.681 0.884 0.491 CB 1.461 113 residues pruned to eliminate duplicates Z: 26 19.551 1.769 0.365 0.700 0.920 0.560 CB 1.467 25 residues pruned to eliminate duplicates Z: 25 27.568 1.883 0.626 0.803 1.000 0.458 CA 1.411 25 residues pruned to eliminate duplicates Z: 44 44.845 1.961 0.724 0.832 0.977 0.488 CA 1.555 44 residues pruned to eliminate duplicates Z: 61 50.647 2.043 0.839 0.812 0.900 0.550 CB 1.474 61 residues pruned to eliminate duplicates Z: 48 35.548 1.909 0.692 0.752 0.851 0.404 CB 1.507 48 residues pruned to eliminate duplicates Z: 132 64.871 2.083 0.764 0.637 0.939 0.427 CB 1.445 132 residues pruned to eliminate duplicates Z: 45 32.392 1.878 0.566 0.717 0.886 0.500 CB 1.540 45 residues pruned to eliminate duplicates Z: 54 38.460 1.919 0.726 0.755 0.868 0.434 CB 1.464 54 residues pruned to eliminate duplicates Z: 62 56.439 2.050 0.905 0.802 0.918 0.508 CB 1.548 62 residues pruned to eliminate duplicates Z: 49 42.536 1.953 0.803 0.768 0.917 0.479 CB 1.501 48 residues pruned to eliminate duplicates Z: 16 13.067 1.694 0.402 0.784 0.867 0.600 CB 1.277 16 residues pruned to eliminate duplicates Z: 47 41.164 1.947 0.688 0.785 0.957 0.543 CB 1.502 47 residues pruned to eliminate duplicates Z: 101 57.854 2.024 0.763 0.725 0.900 0.480 CB 1.471 101 residues pruned to eliminate duplicates Z: 23 16.361 1.748 0.584 0.600 0.818 0.273 CA 1.400 23 residues pruned to eliminate duplicates Z: 46 45.509 1.932 0.792 0.809 0.978 0.400 CB 1.530 46 residues pruned to eliminate duplicates Z: 15 11.636 1.637 0.566 0.811 0.786 0.286 CB 1.178 18 residues pruned to eliminate duplicates Z: 16 12.240 1.658 0.613 0.730 0.800 0.400 CB 1.201 16 residues pruned to eliminate duplicates Z: 21 11.075 1.677 0.369 0.700 0.850 0.500 CB 1.058 21 residues pruned to eliminate duplicates Z: 59 47.800 1.962 0.758 0.753 0.983 0.483 CB 1.478 59 residues pruned to eliminate duplicates Z: 6 5.073 1.628 0.335 0.405 1.000 0.800 CA 1.153 6 residues pruned to eliminate duplicates Z: 16 9.913 1.924 0.162 0.489 0.867 0.333 CB 1.336 16 residues pruned to eliminate duplicates Z: 14 12.915 1.964 0.209 0.526 1.000 0.385 CB 1.470 14 residues pruned to eliminate duplicates Z: 14 11.897 2.012 0.254 0.466 1.000 0.462 CB 1.354 14 residues pruned to eliminate duplicates Z: 14 12.803 1.938 0.371 0.522 0.923 0.462 CB 1.417 14 residues pruned to eliminate duplicates Z: 13 15.146 1.988 0.407 0.562 1.000 0.667 CB 1.472 13 residues pruned to eliminate duplicates Z: 57 39.233 1.932 0.676 0.731 0.929 0.411 CB 1.417 57 residues pruned to eliminate duplicates Z: 12 16.274 2.018 0.609 0.657 0.909 0.818 CB 1.437 11 residues pruned to eliminate duplicates Z: 10 20.328 1.941 0.681 0.875 1.000 0.667 CB 1.511 10 residues pruned to eliminate duplicates Z: 12 15.017 2.021 0.487 0.633 0.909 0.545 CB 1.462 12 residues pruned to eliminate duplicates Z: 14 13.088 1.954 0.436 0.542 0.923 0.385 CB 1.344 14 residues pruned to eliminate duplicates 577 residues left after pruning, divided into chains as follows: A: 47 B: 12 C: 18 D: 160 E: 9 F: 21 G: 26 H: 53 I: 231 CC for partial structure against native data = 39.81 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.494, Connect. = 0.756 for dens.mod. cycle 1 = 0.303, Contrast = 0.554, Connect. = 0.773 for dens.mod. cycle 2 = 0.304, Contrast = 0.677, Connect. = 0.804 for dens.mod. cycle 3 = 0.303, Contrast = 0.679, Connect. = 0.803 for dens.mod. cycle 4 = 0.303, Contrast = 0.691, Connect. = 0.804 for dens.mod. cycle 5 = 0.303, Contrast = 0.693, Connect. = 0.805 for dens.mod. cycle 6 = 0.304, Contrast = 0.698, Connect. = 0.806 for dens.mod. cycle 7 = 0.303, Contrast = 0.699, Connect. = 0.807 for dens.mod. cycle 8 = 0.304, Contrast = 0.702, Connect. = 0.807 for dens.mod. cycle 9 = 0.304, Contrast = 0.703, Connect. = 0.808 for dens.mod. cycle 10 TimeTaking 203.02