null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:49:14 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: ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.ins Phases from ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.phi Native data from ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.hkl Listing output to ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.lst Phases output to ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.phs Poly-Ala trace output to ./2hx1-2.1-parrot-noncs/2hx1-2.1-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 21 21 21 Allowed origin shift code: 4 70128 Reflections read from file ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.phi 70128 Reflections read from file ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.hkl 70128 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by -0.000189h^2 +0.000017k^2 +0.000047l^2 +0.000000kl +0.000000hl +0.000000hk 43 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 128 x 256 x 55 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.820 = 0.277, Contrast = 0.097, Connect. = 0.558 for dens.mod. cycle 1 = 0.300, Contrast = 0.276, Connect. = 0.601 for dens.mod. cycle 2 = 0.300, Contrast = 0.419, Connect. = 0.678 for dens.mod. cycle 3 = 0.300, Contrast = 0.486, Connect. = 0.713 for dens.mod. cycle 4 = 0.300, Contrast = 0.519, Connect. = 0.728 for dens.mod. cycle 5 = 0.300, Contrast = 0.534, Connect. = 0.737 for dens.mod. cycle 6 = 0.300, Contrast = 0.544, Connect. = 0.743 for dens.mod. cycle 7 = 0.300, Contrast = 0.550, Connect. = 0.747 for dens.mod. cycle 8 = 0.300, Contrast = 0.554, Connect. = 0.750 for dens.mod. cycle 9 = 0.300, Contrast = 0.557, Connect. = 0.752 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5886 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1227 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 17.750 1.795 0.501 0.853 1.000 0.462 CB 1.350 B: 13 11.845 1.761 0.297 0.892 1.000 0.750 CB 1.075 C: 15 29.072 1.970 0.701 0.931 1.000 0.786 CA 1.621 D: 15 26.826 2.013 0.590 0.879 1.000 0.714 CA 1.625 15 residues pruned to eliminate duplicates E: 15 27.421 1.963 0.631 0.922 1.000 0.643 CB 1.610 15 residues pruned to eliminate duplicates F: 13 13.232 1.833 0.606 0.879 1.000 0.833 CB 0.940 12 residues pruned to eliminate duplicates G: 16 18.778 1.759 0.662 0.836 0.867 0.533 CB 1.432 H: 10 14.820 1.881 0.608 0.877 1.000 0.778 CA 1.186 I: 15 25.796 1.889 0.609 0.874 1.000 0.786 CA 1.651 15 residues pruned to eliminate duplicates J: 6 8.662 1.775 0.774 0.812 1.000 1.000 CB 0.937 K: 16 21.881 1.886 0.457 0.895 1.000 0.867 CA 1.474 16 residues pruned to eliminate duplicates L: 12 12.728 1.815 0.383 0.884 1.000 0.909 CA 1.104 M: 8 10.495 1.870 0.352 0.846 1.000 0.857 CB 1.165 8 residues pruned to eliminate duplicates N: 13 15.741 1.782 0.572 0.925 1.000 0.917 CB 1.138 O: 12 10.835 1.714 0.230 0.932 1.000 1.000 CB 1.082 P: 18 18.015 1.665 0.669 0.802 0.941 0.529 CA 1.283 17 residues pruned to eliminate duplicates Q: 7 5.457 1.549 0.263 0.685 0.833 0.500 CA 1.153 R: 12 16.878 1.736 0.956 0.832 1.000 0.727 CB 1.125 S: 11 12.461 1.797 0.526 0.896 1.000 0.900 CB 1.029 11 residues pruned to eliminate duplicates T: 12 12.151 1.844 0.373 0.910 1.000 0.727 CB 1.026 U: 15 21.303 1.937 0.570 0.892 1.000 0.714 CA 1.345 19 residues pruned to eliminate duplicates V: 13 11.198 1.729 0.439 0.848 1.000 0.667 CB 0.964 12 residues pruned to eliminate duplicates W: 15 23.069 1.970 0.351 0.893 1.000 0.857 CA 1.663 15 residues pruned to eliminate duplicates X: 14 15.358 1.756 0.414 0.867 1.000 0.769 CA 1.255 Y: 17 15.408 1.797 0.359 0.800 0.875 0.562 CA 1.387 17 residues pruned to eliminate duplicates Z: 12 16.214 1.782 0.742 0.876 0.909 0.636 CA 1.259 Z: 16 21.350 1.872 0.440 0.870 1.000 0.733 CA 1.492 14 residues pruned to eliminate duplicates Z: 16 16.396 1.741 0.520 0.792 0.933 0.533 CA 1.326 16 residues pruned to eliminate duplicates Z: 6 6.568 1.415 0.787 0.841 1.000 0.800 N 0.867 Z: 17 19.997 1.687 0.780 0.789 0.938 0.625 CA 1.378 18 residues pruned to eliminate duplicates Z: 10 15.408 1.856 0.587 0.890 1.000 0.667 CA 1.254 11 residues pruned to eliminate duplicates Z: 13 10.739 1.633 0.620 0.747 0.833 0.500 CA 1.128 Z: 14 16.998 1.741 0.544 0.914 0.923 0.923 CA 1.344 14 residues pruned to eliminate duplicates Z: 13 16.731 1.772 0.693 0.825 1.000 0.833 CB 1.215 13 residues pruned to eliminate duplicates Z: 8 9.336 1.837 0.378 0.890 1.000 1.000 CB 1.002 8 residues pruned to eliminate duplicates Z: 9 9.323 1.797 0.561 0.841 0.875 0.375 CB 1.001 9 residues pruned to eliminate duplicates Z: 14 15.034 1.802 0.461 0.883 1.000 0.462 CA 1.145 13 residues pruned to eliminate duplicates Z: 12 15.025 1.779 0.557 0.904 1.000 0.727 CB 1.165 12 residues pruned to eliminate duplicates 7 1.898 1.432 0.439 0.313 0.667 0.333 CB 0.693 ? Z: 15 15.924 1.932 0.325 0.877 0.929 0.714 CB 1.300 15 residues pruned to eliminate duplicates Z: 13 14.850 1.877 0.401 0.869 1.000 0.833 CB 1.191 Z: 6 8.807 1.808 0.651 0.683 0.800 0.600 CA 1.395 Z: 16 16.601 1.858 0.458 0.882 0.933 0.667 CB 1.227 16 residues pruned to eliminate duplicates Z: 10 5.147 1.466 0.307 0.607 0.778 0.222 CB 1.040 Z: 17 22.821 1.742 0.652 0.868 0.938 0.688 O 1.545 17 residues pruned to eliminate duplicates Z: 13 14.873 1.899 0.570 0.858 1.000 0.583 CB 1.060 12 residues pruned to eliminate duplicates Z: 15 16.204 1.669 0.715 0.882 1.000 0.929 CA 1.096 Z: 13 16.174 1.823 0.593 0.851 1.000 0.583 CB 1.190 13 residues pruned to eliminate duplicates Z: 7 5.050 1.628 0.071 0.586 1.000 0.667 CB 1.089 Z: 15 8.812 1.600 0.596 0.496 0.857 0.429 CB 1.080 Z: 13 10.327 1.727 0.226 0.874 1.000 0.833 CB 1.025 13 residues pruned to eliminate duplicates Z: 10 14.510 1.815 0.614 0.859 1.000 0.889 CB 1.214 10 residues pruned to eliminate duplicates Z: 7 8.195 1.629 0.684 0.745 0.833 0.667 CA 1.176 Z: 13 12.839 1.715 0.427 0.904 1.000 0.833 CA 1.079 12 residues pruned to eliminate duplicates Z: 10 9.945 1.681 0.152 0.855 1.000 0.667 CA 1.264 Z: 10 20.422 1.872 1.129 0.887 1.000 0.333 CB 1.232 12 residues pruned to eliminate duplicates Z: 13 17.788 1.858 0.571 0.893 0.917 0.583 N 1.379 13 residues pruned to eliminate duplicates Z: 15 15.486 1.738 0.642 0.921 0.929 0.357 CB 1.100 5 residues pruned to eliminate duplicates Z: 15 11.371 1.649 0.362 0.788 0.929 0.643 CA 1.131 15 residues pruned to eliminate duplicates Z: 16 19.784 1.894 0.844 0.901 0.933 0.667 CB 1.118 14 residues pruned to eliminate duplicates Z: 11 13.485 1.744 0.615 0.904 0.900 0.700 CB 1.198 Z: 16 20.872 1.809 0.645 0.843 0.933 0.600 CB 1.444 16 residues pruned to eliminate duplicates Z: 10 17.399 1.839 0.966 0.819 1.000 0.444 CB 1.216 10 residues pruned to eliminate duplicates Z: 17 16.324 1.649 0.580 0.905 1.000 0.938 CB 1.115 16 residues pruned to eliminate duplicates Z: 16 12.025 1.739 0.609 0.448 0.933 0.533 CA 1.254 13 residues pruned to eliminate duplicates Z: 19 8.169 1.594 0.562 0.364 0.833 0.500 CB 1.075 Z: 16 7.613 1.589 0.573 0.366 0.733 0.533 CB 1.238 16 residues pruned to eliminate duplicates Z: 9 6.246 1.671 0.597 0.410 0.750 0.750 CB 1.213 Z: 14 10.682 1.712 0.356 0.832 0.923 0.692 CA 1.038 14 residues pruned to eliminate duplicates Z: 11 13.712 1.860 0.224 0.923 1.000 1.000 CB 1.338 11 residues pruned to eliminate duplicates Z: 12 12.459 1.836 0.257 0.878 1.000 0.818 CB 1.181 12 residues pruned to eliminate duplicates Z: 11 11.982 1.632 0.726 0.896 1.000 0.700 CB 0.963 Z: 41 18.196 1.679 0.677 0.516 0.825 0.400 CB 1.219 31 residues pruned to eliminate duplicates Z: 7 6.307 1.564 0.252 0.836 1.000 1.000 CA 0.985 Z: 15 17.057 1.932 0.537 0.900 1.000 0.786 CB 1.097 15 residues pruned to eliminate duplicates Z: 11 10.800 1.740 0.363 0.884 1.000 0.800 CB 1.041 10 residues pruned to eliminate duplicates Z: 8 3.576 1.538 0.109 0.400 0.857 0.571 CA 1.028 Z: 7 7.801 1.647 0.322 0.777 1.000 0.500 CA 1.146 Z: 7 5.016 1.554 0.024 0.761 0.833 0.833 CA 1.225 7 residues pruned to eliminate duplicates Z: 7 9.314 1.692 0.224 0.882 1.000 0.833 CA 1.328 Z: 13 12.482 1.651 0.713 0.765 0.917 0.500 CA 1.099 Z: 7 7.987 1.741 0.211 0.861 0.833 0.833 CB 1.364 7 residues pruned to eliminate duplicates Z: 6 3.728 1.429 0.604 0.482 0.800 0.600 CA 0.926 Z: 28 7.356 1.656 0.386 0.305 0.778 0.519 CB 0.985 11 residues pruned to eliminate duplicates Z: 10 9.317 1.579 0.224 0.874 1.000 0.889 CB 1.169 Z: 33 16.642 1.646 0.465 0.562 0.938 0.531 CB 1.225 12 residues pruned to eliminate duplicates Z: 9 8.597 1.704 0.308 0.849 1.000 0.750 CB 1.011 10 residues pruned to eliminate duplicates Z: 15 11.139 1.761 0.504 0.479 1.000 0.571 CB 1.149 Z: 30 13.872 1.663 0.440 0.505 0.897 0.621 CA 1.194 13 residues pruned to eliminate duplicates Z: 13 13.480 1.797 0.585 0.911 0.917 0.833 CB 1.056 13 residues pruned to eliminate duplicates Z: 14 8.457 1.570 0.480 0.783 0.846 0.538 CA 0.930 14 residues pruned to eliminate duplicates Z: 10 9.239 1.690 0.655 0.851 0.778 0.556 CB 1.048 Z: 15 9.306 1.443 0.574 0.854 0.929 0.571 CB 0.871 13 residues pruned to eliminate duplicates Z: 10 8.062 1.502 0.336 0.814 1.000 0.444 CB 1.020 Z: 15 23.570 1.955 0.794 0.898 1.000 0.714 CB 1.285 15 residues pruned to eliminate duplicates Z: 17 11.016 1.630 0.649 0.549 0.812 0.562 CB 1.202 Z: 15 16.778 1.807 0.354 0.872 0.929 0.643 CA 1.438 15 residues pruned to eliminate duplicates Z: 10 9.297 1.609 0.811 0.872 1.000 1.000 CB 0.775 10 residues pruned to eliminate duplicates Z: 15 14.031 1.855 0.362 0.892 1.000 0.714 CB 1.066 15 residues pruned to eliminate duplicates Z: 11 8.642 1.520 0.332 0.909 0.900 0.800 CB 1.064 10 residues pruned to eliminate duplicates Z: 12 14.579 1.849 0.414 0.905 1.000 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 11 11.074 1.448 0.813 0.815 1.000 0.800 CB 1.014 10 residues pruned to eliminate duplicates Z: 9 14.799 1.804 0.822 0.900 1.000 0.875 CB 1.138 Z: 11 18.020 1.777 1.097 0.861 0.900 0.600 CA 1.248 11 residues pruned to eliminate duplicates Z: 16 21.058 1.757 0.753 0.826 0.933 0.667 CA 1.427 16 residues pruned to eliminate duplicates Z: 11 16.008 1.880 0.441 0.922 1.000 0.900 CA 1.314 10 residues pruned to eliminate duplicates Z: 10 12.570 1.872 0.864 0.904 0.889 0.556 CB 0.962 Z: 12 15.691 1.741 0.741 0.797 1.000 0.727 CA 1.203 12 residues pruned to eliminate duplicates Z: 9 7.476 1.737 0.176 0.833 0.875 0.750 CB 1.109 9 residues pruned to eliminate duplicates Z: 14 9.189 1.704 0.321 0.659 0.846 0.538 CA 1.155 14 residues pruned to eliminate duplicates Z: 14 10.794 1.539 0.661 0.784 1.000 0.769 CA 0.912 13 residues pruned to eliminate duplicates Z: 15 18.801 1.745 0.676 0.885 1.000 0.643 CB 1.241 17 residues pruned to eliminate duplicates Z: 15 11.641 1.690 0.766 0.427 0.857 0.643 CA 1.313 Z: 9 14.676 1.828 0.951 0.903 1.000 0.625 CA 1.037 9 residues pruned to eliminate duplicates Z: 12 6.820 1.405 0.135 0.855 1.000 0.545 CB 0.951 12 residues pruned to eliminate duplicates Z: 10 10.314 1.729 0.339 0.885 1.000 0.889 CB 1.072 10 residues pruned to eliminate duplicates Z: 9 11.161 1.765 0.623 0.894 1.000 1.000 CB 0.988 9 residues pruned to eliminate duplicates Z: 7 4.496 1.571 0.581 0.745 0.667 0.500 CA 0.890 Z: 13 8.149 1.586 0.602 0.824 0.833 0.583 CB 0.839 12 residues pruned to eliminate duplicates Z: 17 18.420 1.660 0.819 0.816 0.875 0.562 CA 1.325 17 residues pruned to eliminate duplicates Z: 14 13.200 1.673 0.554 0.849 1.000 0.769 CB 1.044 14 residues pruned to eliminate duplicates Z: 9 8.702 1.796 0.767 0.254 1.000 0.250 CB 1.286 10 residues pruned to eliminate duplicates Z: 12 15.811 1.873 0.824 0.921 0.909 0.636 CB 1.080 12 residues pruned to eliminate duplicates Z: 9 14.415 1.870 0.722 0.866 0.875 0.625 CA 1.324 7 residues pruned to eliminate duplicates Z: 12 11.135 1.754 0.692 0.808 0.909 0.545 CB 0.952 12 residues pruned to eliminate duplicates Z: 12 17.433 1.749 1.038 0.868 1.000 0.545 CB 1.078 10 residues pruned to eliminate duplicates Z: 10 8.374 1.574 0.188 0.755 1.000 0.667 O 1.190 10 residues pruned to eliminate duplicates Z: 12 5.952 1.582 0.744 0.351 0.727 0.545 CB 1.051 Z: 16 13.368 1.684 0.429 0.606 0.933 0.733 CA 1.390 16 residues pruned to eliminate duplicates Z: 11 9.051 1.489 0.424 0.852 1.000 0.800 CA 0.998 Z: 8 7.742 1.655 0.244 0.828 0.857 0.714 N 1.248 7 residues pruned to eliminate duplicates Z: 9 9.251 1.585 0.480 0.707 1.000 0.375 CB 1.156 Z: 6 6.738 1.679 0.152 0.861 1.000 1.000 CA 1.144 6 residues pruned to eliminate duplicates Z: 16 6.313 1.574 0.284 0.449 0.867 0.333 CB 0.980 Z: 10 10.313 1.769 1.035 0.849 0.889 0.444 CB 0.796 9 residues pruned to eliminate duplicates Z: 8 6.223 1.534 0.405 0.802 0.857 0.714 CA 0.978 8 residues pruned to eliminate duplicates Z: 12 15.158 1.887 0.398 0.901 1.000 0.818 CB 1.237 12 residues pruned to eliminate duplicates Z: 12 10.559 1.548 0.641 0.865 0.909 0.818 CB 1.010 23 residues pruned to eliminate duplicates Z: 7 3.535 1.544 -0.164 0.901 1.000 1.000 CB 0.798 7 residues pruned to eliminate duplicates Z: 10 13.683 1.864 0.816 0.830 0.889 0.556 CB 1.139 10 residues pruned to eliminate duplicates Z: 7 8.696 1.662 0.398 0.865 0.833 0.833 CB 1.343 7 residues pruned to eliminate duplicates Z: 15 20.236 1.963 0.900 0.873 0.857 0.500 CB 1.231 15 residues pruned to eliminate duplicates Z: 12 11.333 1.738 0.228 0.871 1.000 0.818 CB 1.168 12 residues pruned to eliminate duplicates Z: 8 11.366 1.725 0.658 0.850 1.000 0.429 CB 1.113 8 residues pruned to eliminate duplicates Z: 8 6.669 1.548 0.073 0.861 1.000 1.000 CA 1.115 7 residues pruned to eliminate duplicates Z: 13 9.942 1.753 0.673 0.312 0.917 0.500 CA 1.315 13 residues pruned to eliminate duplicates Z: 11 5.452 1.576 0.335 0.334 0.800 0.500 CB 1.228 8 residues pruned to eliminate duplicates Z: 8 8.552 1.543 0.656 0.838 0.857 0.714 CA 1.103 7 residues pruned to eliminate duplicates Z: 14 14.423 1.588 0.767 0.907 0.923 0.692 CB 1.097 14 residues pruned to eliminate duplicates Z: 10 11.423 1.677 0.674 0.894 1.000 0.778 CB 0.972 9 residues pruned to eliminate duplicates Z: 13 11.152 1.799 0.549 0.896 0.917 0.667 CB 0.903 12 residues pruned to eliminate duplicates Z: 6 6.552 1.638 0.444 0.837 1.000 0.800 CB 0.927 6 residues pruned to eliminate duplicates Z: 7 4.642 1.615 0.363 0.517 0.833 0.833 CB 1.016 Z: 10 11.408 1.694 0.495 0.774 0.889 0.667 CA 1.326 10 residues pruned to eliminate duplicates Z: 10 7.858 1.667 0.443 0.405 0.889 0.556 CA 1.353 Z: 9 11.225 1.702 0.217 0.881 1.000 0.875 CA 1.388 9 residues pruned to eliminate duplicates Z: 17 15.500 1.606 0.578 0.861 1.000 0.750 CB 1.123 16 residues pruned to eliminate duplicates Z: 13 12.466 1.604 0.516 0.802 0.917 0.750 CA 1.240 13 residues pruned to eliminate duplicates Z: 10 7.487 1.553 0.492 0.804 0.889 0.778 CB 0.929 10 residues pruned to eliminate duplicates Z: 6 8.598 1.756 0.287 0.824 1.000 0.600 CA 1.284 6 residues pruned to eliminate duplicates Z: 10 12.581 1.497 0.927 0.897 1.000 0.889 CB 1.041 11 residues pruned to eliminate duplicates Z: 14 9.654 1.705 0.604 0.268 0.846 0.385 N 1.507 Z: 6 11.724 1.794 0.611 0.857 1.000 1.000 CB 1.337 8 residues pruned to eliminate duplicates Z: 10 9.049 1.609 0.397 0.793 1.000 0.556 CB 1.038 10 residues pruned to eliminate duplicates Z: 11 9.718 1.475 0.374 0.825 1.000 0.500 CB 1.143 11 residues pruned to eliminate duplicates Z: 28 10.160 1.678 0.527 0.340 0.889 0.556 CB 1.022 21 residues pruned to eliminate duplicates Z: 14 20.715 1.944 0.759 0.894 0.923 0.615 CB 1.306 14 residues pruned to eliminate duplicates Z: 9 7.577 1.545 0.318 0.850 1.000 0.875 CB 0.975 Z: 13 13.277 1.699 0.749 0.357 1.000 0.667 CA 1.506 8 residues pruned to eliminate duplicates Z: 10 6.675 1.800 0.222 0.358 0.889 0.556 CB 1.326 16 residues pruned to eliminate duplicates Z: 13 16.789 1.657 0.777 0.840 1.000 0.833 CA 1.228 13 residues pruned to eliminate duplicates Z: 10 11.248 1.690 0.851 0.896 1.000 0.889 CB 0.859 Z: 13 11.584 1.815 0.390 0.854 0.917 0.833 CA 1.068 12 residues pruned to eliminate duplicates Z: 6 3.691 1.567 0.122 0.596 1.000 0.600 CB 0.856 7 1.295 1.436 -0.359 0.380 0.667 0.667 CB 0.978 ? Z: 6 3.629 1.409 0.636 0.403 1.000 0.600 CB 0.780 Z: 17 17.928 1.594 0.712 0.930 1.000 0.938 CB 1.148 16 residues pruned to eliminate duplicates Z: 12 7.070 1.671 0.508 0.455 0.909 0.455 CA 0.975 12 residues pruned to eliminate duplicates Z: 6 5.811 1.596 0.888 0.492 0.800 0.600 CB 1.087 Z: 6 5.105 1.548 0.222 0.748 1.000 1.000 CB 0.967 6 residues pruned to eliminate duplicates Z: 13 10.436 1.509 0.673 0.851 0.917 0.500 CB 0.964 10 residues pruned to eliminate duplicates Z: 13 9.818 1.645 0.327 0.859 0.917 0.917 CA 1.042 13 residues pruned to eliminate duplicates Z: 9 10.655 1.772 0.514 0.877 1.000 0.625 CB 1.020 9 residues pruned to eliminate duplicates Z: 9 7.895 1.526 0.716 0.474 0.875 0.875 CB 1.251 Z: 11 10.127 1.540 0.679 0.754 0.900 0.700 CA 1.097 11 residues pruned to eliminate duplicates Z: 9 8.297 1.726 0.571 0.841 0.875 0.750 CB 0.922 9 residues pruned to eliminate duplicates Z: 11 6.303 1.567 0.389 0.578 0.900 0.600 CA 0.943 Z: 9 6.858 1.599 0.536 0.521 0.875 0.875 CA 1.105 Z: 16 18.867 1.892 0.579 0.904 1.000 0.867 CB 1.162 16 residues pruned to eliminate duplicates Z: 16 20.489 1.901 0.870 0.932 0.933 0.733 CB 1.113 16 residues pruned to eliminate duplicates Z: 12 10.853 1.802 0.786 0.896 0.909 0.727 CB 0.801 15 residues pruned to eliminate duplicates Z: 9 8.950 1.691 0.463 0.556 0.875 0.750 N 1.385 11 residues pruned to eliminate duplicates Z: 13 16.413 1.824 0.595 0.839 1.000 0.667 CA 1.217 13 residues pruned to eliminate duplicates Z: 38 19.197 1.643 0.831 0.454 0.946 0.541 CB 1.162 38 residues pruned to eliminate duplicates Z: 6 3.442 1.560 0.004 0.755 1.000 0.400 CB 0.783 7 residues pruned to eliminate duplicates Z: 10 17.532 1.762 1.113 0.884 1.000 0.444 CB 1.134 10 residues pruned to eliminate duplicates Z: 12 11.670 1.621 0.538 0.873 0.909 0.364 CB 1.130 11 residues pruned to eliminate duplicates Z: 9 10.695 1.656 0.683 0.853 1.000 0.750 CA 1.002 9 residues pruned to eliminate duplicates Z: 12 10.735 1.616 0.418 0.903 0.909 0.727 CB 1.108 12 residues pruned to eliminate duplicates Z: 11 14.297 1.778 1.027 0.884 0.900 0.600 CB 1.007 12 residues pruned to eliminate duplicates Z: 13 14.732 1.836 0.495 0.916 1.000 0.667 CB 1.094 14 residues pruned to eliminate duplicates Z: 8 7.778 1.727 0.577 0.498 1.000 0.714 CB 1.081 Z: 8 4.530 1.432 0.469 0.429 0.857 0.429 CB 1.022 8 residues pruned to eliminate duplicates Z: 7 4.599 1.362 0.584 0.388 0.833 0.500 CA 1.176 Z: 12 10.469 1.778 0.516 0.852 1.000 0.818 CB 0.866 12 residues pruned to eliminate duplicates Z: 6 3.007 1.488 0.553 0.329 0.600 0.400 C 1.170 6 residues pruned to eliminate duplicates Z: 6 2.624 1.450 0.382 0.297 0.600 0.400 CB 1.224 Z: 9 9.975 1.445 0.510 0.899 1.000 0.875 CB 1.156 8 residues pruned to eliminate duplicates Z: 9 9.601 1.699 0.630 0.860 1.000 0.500 CB 0.901 9 residues pruned to eliminate duplicates Z: 9 2.742 1.375 0.086 0.475 0.750 0.500 C 0.888 Z: 14 17.606 1.824 0.571 0.834 0.846 0.769 CA 1.509 14 residues pruned to eliminate duplicates Z: 8 5.244 1.646 0.248 0.391 0.857 0.429 N 1.264 7 residues pruned to eliminate duplicates Z: 17 10.038 1.590 0.693 0.311 0.938 0.688 CA 1.226 Z: 6 3.891 1.346 0.491 0.716 0.800 0.600 CA 0.891 Z: 11 7.505 1.671 0.341 0.466 0.900 0.800 CA 1.219 7 residues pruned to eliminate duplicates Z: 9 8.202 1.654 0.474 0.809 0.875 0.750 CB 1.039 9 residues pruned to eliminate duplicates Z: 10 14.429 1.855 0.779 0.862 1.000 0.667 CB 1.070 10 residues pruned to eliminate duplicates Z: 8 6.579 1.635 0.709 0.426 0.857 0.714 CB 1.122 8 residues pruned to eliminate duplicates Z: 13 7.536 1.665 0.297 0.731 0.917 0.417 CB 0.892 13 residues pruned to eliminate duplicates Z: 11 15.593 1.800 0.857 0.864 1.000 0.700 CB 1.082 11 residues pruned to eliminate duplicates Z: 13 3.261 1.590 0.349 0.303 0.583 0.333 CB 0.937 13 residues pruned to eliminate duplicates Z: 6 2.208 1.438 0.442 0.772 1.000 0.800 CB 0.374 Z: 16 11.036 1.735 0.523 0.480 0.867 0.467 CB 1.269 16 residues pruned to eliminate duplicates Z: 9 11.259 1.702 0.925 0.493 1.000 0.750 CB 1.224 9 residues pruned to eliminate duplicates Z: 29 15.454 1.668 0.628 0.444 0.893 0.536 CA 1.276 29 residues pruned to eliminate duplicates Z: 17 20.720 1.665 0.924 0.893 1.000 0.750 CA 1.161 15 residues pruned to eliminate duplicates Z: 15 18.778 1.754 0.558 0.893 1.000 0.857 CB 1.318 16 residues pruned to eliminate duplicates Z: 12 8.572 1.523 0.812 0.546 0.909 0.545 CB 0.985 12 residues pruned to eliminate duplicates Z: 9 8.272 1.549 0.602 0.824 1.000 0.750 CB 0.891 Z: 14 15.678 1.863 0.357 0.880 1.000 0.846 CA 1.247 15 residues pruned to eliminate duplicates Z: 7 7.507 1.713 0.784 0.548 1.000 0.500 CB 0.957 9 residues pruned to eliminate duplicates Z: 13 18.362 1.842 0.694 0.879 0.917 0.667 CB 1.344 13 residues pruned to eliminate duplicates Z: 14 18.132 1.887 0.360 0.911 1.000 0.846 CA 1.389 14 residues pruned to eliminate duplicates Z: 17 18.621 1.544 0.834 0.871 1.000 0.750 CA 1.200 17 residues pruned to eliminate duplicates Z: 15 22.684 1.965 0.641 0.894 1.000 0.571 CB 1.349 15 residues pruned to eliminate duplicates Z: 8 4.422 1.456 0.366 0.648 0.714 0.571 CA 1.025 8 residues pruned to eliminate duplicates Z: 10 10.490 1.605 0.649 0.849 0.778 0.778 CA 1.259 10 residues pruned to eliminate duplicates Z: 13 10.603 1.522 0.756 0.820 0.917 0.583 CB 0.947 13 residues pruned to eliminate duplicates Z: 13 7.877 1.705 0.304 0.440 0.917 0.500 CB 1.187 Z: 6 2.965 1.028 0.533 0.749 1.000 1.000 N 0.673 Z: 17 10.799 1.632 0.814 0.385 0.812 0.500 CB 1.268 17 residues pruned to eliminate duplicates Z: 17 20.628 1.655 0.812 0.902 1.000 0.688 CA 1.227 17 residues pruned to eliminate duplicates Z: 8 3.759 1.618 0.172 0.739 0.714 0.714 CB 0.846 8 residues pruned to eliminate duplicates Z: 12 4.568 1.484 0.420 0.389 0.818 0.545 CB 0.899 12 residues pruned to eliminate duplicates Z: 10 7.574 1.616 0.611 0.526 0.889 0.667 CA 1.063 10 residues pruned to eliminate duplicates Z: 14 10.347 1.669 0.429 0.861 0.923 0.769 CB 0.958 14 residues pruned to eliminate duplicates Z: 13 10.878 1.746 0.346 0.904 1.000 1.000 CA 0.952 13 residues pruned to eliminate duplicates Z: 7 2.265 1.587 0.102 0.261 0.667 0.333 CB 1.043 Z: 14 7.543 1.675 0.139 0.464 1.000 0.692 CB 1.137 13 residues pruned to eliminate duplicates Z: 7 3.858 1.548 0.276 0.512 0.667 0.667 CB 1.181 7 residues pruned to eliminate duplicates Z: 9 11.660 1.741 0.415 0.898 1.000 0.875 CB 1.197 9 residues pruned to eliminate duplicates Z: 7 4.988 1.581 0.440 0.483 0.833 0.667 N 1.092 7 residues pruned to eliminate duplicates Z: 8 9.959 1.731 0.623 0.491 1.000 0.714 CA 1.352 9 residues pruned to eliminate duplicates Z: 16 6.568 1.615 0.238 0.387 0.800 0.533 CA 1.195 15 residues pruned to eliminate duplicates Z: 6 5.980 1.635 0.714 0.562 1.000 0.600 CB 0.899 6 residues pruned to eliminate duplicates Z: 9 14.147 1.563 1.144 0.833 1.000 0.750 CA 1.120 9 residues pruned to eliminate duplicates Z: 11 11.053 1.654 0.469 0.886 1.000 0.900 CB 1.038 11 residues pruned to eliminate duplicates Z: 9 16.320 1.945 0.883 0.879 1.000 0.875 CB 1.143 9 residues pruned to eliminate duplicates Z: 9 8.449 1.542 0.361 0.860 1.000 1.000 CA 1.046 9 residues pruned to eliminate duplicates Z: 8 18.337 1.747 1.166 0.845 1.000 0.571 CB 1.362 8 residues pruned to eliminate duplicates Z: 6 3.581 1.471 0.393 0.494 0.800 0.400 CA 0.982 Z: 8 12.060 1.759 0.611 0.851 1.000 0.714 CA 1.190 10 residues pruned to eliminate duplicates Z: 14 11.890 1.553 0.781 0.782 1.000 0.615 CA 0.930 13 residues pruned to eliminate duplicates Z: 7 2.760 1.428 0.425 0.259 0.667 0.167 CB 1.094 Z: 24 14.127 1.633 0.619 0.601 0.913 0.522 CA 1.109 24 residues pruned to eliminate duplicates Z: 7 3.547 1.504 0.309 0.858 0.833 0.333 CB 0.650 Z: 13 8.416 1.625 0.468 0.384 0.917 0.667 CA 1.256 Z: 14 15.787 1.712 0.534 0.873 1.000 0.692 CA 1.215 14 residues pruned to eliminate duplicates Z: 10 6.494 1.696 0.261 0.884 0.778 0.778 CB 0.940 9 residues pruned to eliminate duplicates Z: 18 6.034 1.652 0.181 0.299 0.941 0.471 CB 0.998 18 residues pruned to eliminate duplicates Z: 6 7.782 1.618 0.787 0.812 1.000 0.600 CB 0.917 7 residues pruned to eliminate duplicates Z: 14 11.111 1.647 0.463 0.874 0.923 0.615 CB 1.008 13 residues pruned to eliminate duplicates Z: 13 10.698 1.685 0.607 0.894 0.917 0.833 CB 0.893 13 residues pruned to eliminate duplicates Z: 9 5.412 1.343 0.155 0.764 1.000 0.625 CA 0.976 Z: 8 4.152 1.723 0.244 0.328 0.857 0.571 CB 1.032 8 residues pruned to eliminate duplicates Z: 8 4.346 1.708 0.004 0.860 1.000 0.857 CB 0.704 8 residues pruned to eliminate duplicates Z: 7 5.071 1.312 0.528 0.571 1.000 0.833 N 0.964 Z: 11 5.604 1.513 0.307 0.525 1.000 0.600 CA 0.874 11 residues pruned to eliminate duplicates Z: 16 10.923 1.535 0.306 0.894 1.000 0.933 CA 1.009 15 residues pruned to eliminate duplicates Z: 9 8.899 1.502 0.276 0.904 1.000 0.750 CB 1.169 9 residues pruned to eliminate duplicates Z: 6 3.823 1.571 0.474 0.616 0.600 0.600 CB 1.102 6 residues pruned to eliminate duplicates Z: 14 13.510 1.691 0.746 0.479 1.000 0.538 CA 1.297 14 residues pruned to eliminate duplicates Z: 15 5.446 1.490 0.505 0.433 0.786 0.357 CB 0.886 15 residues pruned to eliminate duplicates Z: 11 5.691 1.668 0.383 0.337 0.800 0.300 CB 1.165 Z: 20 9.480 1.580 0.335 0.607 0.895 0.316 CB 1.041 20 residues pruned to eliminate duplicates Z: 11 7.733 1.567 0.720 0.748 0.700 0.500 CB 1.039 11 residues pruned to eliminate duplicates Z: 9 7.573 1.589 0.242 0.832 0.875 0.625 CA 1.164 8 residues pruned to eliminate duplicates Z: 7 2.111 1.393 0.126 0.678 0.667 0.667 CB 0.700 Z: 16 7.318 1.659 0.416 0.409 0.933 0.533 CB 0.948 Z: 7 7.147 1.575 0.422 0.781 1.000 0.833 CA 1.017 7 residues pruned to eliminate duplicates 6 1.610 1.407 0.262 0.287 0.800 0.600 CB 0.644 ? Z: 6 2.013 1.088 0.675 0.357 0.800 0.400 O 0.721 Z: 14 10.902 1.627 0.520 0.805 0.923 0.538 CA 1.016 14 residues pruned to eliminate duplicates Z: 14 12.909 1.734 0.332 0.893 1.000 0.846 CA 1.113 14 residues pruned to eliminate duplicates Z: 10 7.465 1.571 0.975 0.359 0.889 0.556 CA 1.050 11 residues pruned to eliminate duplicates Z: 6 5.203 1.579 0.160 0.823 1.000 0.600 CB 0.960 6 residues pruned to eliminate duplicates Z: 14 12.708 1.717 0.509 0.866 0.923 0.692 CA 1.079 13 residues pruned to eliminate duplicates Z: 8 6.452 1.499 0.482 0.441 0.857 0.714 CA 1.361 Z: 16 14.533 1.847 0.749 0.889 0.867 0.533 CB 0.964 15 residues pruned to eliminate duplicates Z: 12 13.209 1.703 0.667 0.812 0.909 0.818 CA 1.176 12 residues pruned to eliminate duplicates Z: 6 9.822 1.736 0.808 0.851 0.800 0.800 CA 1.295 13 residues pruned to eliminate duplicates Z: 9 18.533 1.940 0.928 0.898 1.000 0.625 CA 1.253 9 residues pruned to eliminate duplicates Z: 10 7.026 1.449 0.138 0.901 1.000 0.778 CB 1.014 10 residues pruned to eliminate duplicates Z: 14 16.142 1.879 0.591 0.651 0.923 0.769 CB 1.409 14 residues pruned to eliminate duplicates Z: 10 7.211 1.614 0.214 0.909 1.000 1.000 CB 0.871 10 residues pruned to eliminate duplicates Z: 14 13.504 1.631 0.688 0.832 1.000 0.692 CA 1.022 14 residues pruned to eliminate duplicates Z: 11 8.784 1.511 0.177 0.872 1.000 0.800 CB 1.138 11 residues pruned to eliminate duplicates Z: 16 16.548 1.831 0.485 0.913 1.000 0.600 CB 1.113 16 residues pruned to eliminate duplicates Z: 12 11.998 1.808 0.247 0.863 0.909 0.636 CB 1.296 12 residues pruned to eliminate duplicates Z: 15 11.328 1.582 0.398 0.804 0.929 0.714 CA 1.130 15 residues pruned to eliminate duplicates Z: 12 7.102 1.523 0.793 0.898 1.000 0.727 CB 0.561 9 residues pruned to eliminate duplicates Z: 7 3.454 1.409 0.678 0.528 0.667 0.667 N 0.870 6 residues pruned to eliminate duplicates Z: 20 9.317 1.674 0.469 0.402 0.947 0.579 CA 1.018 16 residues pruned to eliminate duplicates Z: 7 5.908 1.489 0.461 0.576 1.000 0.667 N 1.030 Z: 12 11.588 1.615 0.449 0.917 0.909 0.727 CB 1.159 12 residues pruned to eliminate duplicates Z: 10 7.567 1.730 0.381 0.857 0.889 0.889 CB 0.875 10 residues pruned to eliminate duplicates Z: 9 7.924 1.588 0.425 0.587 1.000 0.875 CB 1.139 9 residues pruned to eliminate duplicates Z: 10 5.037 1.545 0.526 0.418 0.667 0.667 CB 1.163 10 residues pruned to eliminate duplicates Z: 12 7.522 1.663 0.731 0.380 1.000 0.545 CB 0.895 11 residues pruned to eliminate duplicates Z: 9 7.383 1.531 0.650 0.575 1.000 0.625 CB 0.961 9 residues pruned to eliminate duplicates Z: 8 7.118 1.751 0.601 0.836 0.714 0.714 CB 1.006 8 residues pruned to eliminate duplicates Z: 13 16.493 1.783 0.795 0.879 0.917 0.500 CB 1.177 13 residues pruned to eliminate duplicates Z: 15 18.621 1.764 0.655 0.841 0.929 0.571 CB 1.369 15 residues pruned to eliminate duplicates Z: 34 19.705 1.769 0.684 0.567 0.939 0.576 CB 1.149 32 residues pruned to eliminate duplicates Z: 8 2.199 1.289 0.526 0.249 0.714 0.571 CB 0.790 Z: 9 6.246 1.577 0.309 0.518 1.000 0.625 CB 1.051 9 residues pruned to eliminate duplicates Z: 6 5.475 1.690 0.432 0.820 0.800 0.400 CB 0.958 6 residues pruned to eliminate duplicates Z: 8 4.375 1.599 0.491 0.584 0.857 0.714 CB 0.746 Z: 9 12.228 1.753 0.840 0.881 1.000 0.625 CB 0.970 9 residues pruned to eliminate duplicates Z: 7 3.447 1.355 0.613 0.511 0.833 0.500 N 0.764 Z: 14 12.586 1.507 0.547 0.816 1.000 0.538 CA 1.137 14 residues pruned to eliminate duplicates Z: 7 3.961 1.464 0.089 0.534 1.000 0.500 N 0.981 Z: 37 15.765 1.691 0.617 0.432 0.889 0.472 CB 1.160 37 residues pruned to eliminate duplicates Z: 10 7.413 1.455 0.263 0.916 1.000 0.444 CB 0.950 10 residues pruned to eliminate duplicates Z: 8 2.053 1.282 0.480 0.392 0.857 0.429 CB 0.535 Z: 7 6.197 1.514 1.049 0.613 1.000 0.667 CB 0.733 Z: 10 10.419 1.487 1.016 0.881 0.889 0.889 CA 0.944 Z: 9 7.081 1.692 0.551 0.468 0.750 0.500 CB 1.315 9 residues pruned to eliminate duplicates Z: 6 3.927 1.401 0.419 0.751 1.000 0.800 CB 0.706 6 residues pruned to eliminate duplicates Z: 11 8.053 1.597 0.412 0.838 0.800 0.700 CB 1.055 11 residues pruned to eliminate duplicates Z: 16 15.131 1.772 0.742 0.530 0.933 0.667 CB 1.316 16 residues pruned to eliminate duplicates Z: 11 14.153 1.726 0.556 0.839 1.000 0.400 CA 1.245 10 residues pruned to eliminate duplicates Z: 8 8.679 1.617 0.483 0.767 1.000 0.857 CB 1.079 8 residues pruned to eliminate duplicates Z: 13 8.917 1.655 0.695 0.355 0.917 0.500 CB 1.171 Z: 8 7.004 1.534 0.564 0.746 0.857 0.571 CA 1.033 8 residues pruned to eliminate duplicates Z: 14 8.147 1.660 0.378 0.666 0.923 0.769 CB 0.917 14 residues pruned to eliminate duplicates Z: 26 13.610 1.656 0.667 0.549 0.840 0.680 CB 1.119 56 residues pruned to eliminate duplicates Z: 13 18.519 1.777 0.928 0.893 1.000 0.583 CB 1.120 14 residues pruned to eliminate duplicates Z: 9 15.128 1.921 0.687 0.887 1.000 0.750 CB 1.190 10 residues pruned to eliminate duplicates Z: 6 8.462 1.543 0.589 0.759 1.000 0.600 CB 1.227 6 residues pruned to eliminate duplicates Z: 11 15.996 1.806 0.852 0.921 1.000 0.200 CB 1.064 15 residues pruned to eliminate duplicates Z: 7 4.847 1.670 -0.104 0.836 0.833 0.500 CB 1.189 7 residues pruned to eliminate duplicates Z: 13 6.164 1.555 0.612 0.418 0.667 0.417 CB 1.160 Z: 7 2.403 1.419 0.136 0.835 0.833 0.667 CB 0.547 Z: 20 14.572 1.729 0.606 0.622 0.895 0.526 CB 1.200 11 residues pruned to eliminate duplicates Z: 6 2.014 1.399 0.277 0.294 0.800 0.600 N 0.794 Z: 12 10.599 1.719 0.381 0.763 0.818 0.545 CB 1.302 12 residues pruned to eliminate duplicates Z: 23 7.993 1.641 0.233 0.336 0.818 0.455 CB 1.232 8 residues pruned to eliminate duplicates Z: 6 2.772 1.086 0.778 0.782 1.000 0.600 O 0.501 Z: 12 6.664 1.487 0.594 0.458 0.727 0.636 O 1.217 Z: 13 11.552 1.711 0.556 0.851 0.917 0.750 CB 1.012 13 residues pruned to eliminate duplicates Z: 12 10.788 1.608 0.543 0.848 0.909 0.727 CA 1.070 12 residues pruned to eliminate duplicates Z: 14 12.152 1.658 0.887 0.386 1.000 0.615 CA 1.216 14 residues pruned to eliminate duplicates Z: 7 8.890 1.622 0.234 0.848 1.000 1.000 CA 1.345 6 residues pruned to eliminate duplicates Z: 21 13.787 1.689 0.606 0.513 0.850 0.450 CB 1.319 18 residues pruned to eliminate duplicates Z: 14 12.322 1.653 0.441 0.819 1.000 0.692 CA 1.088 14 residues pruned to eliminate duplicates Z: 11 6.702 1.487 0.426 0.851 0.900 0.500 CB 0.822 11 residues pruned to eliminate duplicates Z: 11 7.014 1.647 0.504 0.325 0.900 0.700 CA 1.207 11 residues pruned to eliminate duplicates Z: 32 17.517 1.801 0.725 0.581 0.839 0.613 CB 1.117 32 residues pruned to eliminate duplicates Z: 24 9.548 1.642 0.642 0.414 0.913 0.522 CB 0.885 Z: 12 8.905 1.480 0.120 0.853 1.000 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 8 4.900 1.563 0.441 0.536 0.857 0.571 CB 0.926 Z: 11 11.291 1.622 0.600 0.868 1.000 0.700 CA 1.005 11 residues pruned to eliminate duplicates Z: 6 2.450 1.295 0.373 0.271 0.800 0.600 CA 0.999 Z: 7 3.448 1.335 0.488 0.533 0.833 0.500 N 0.823 Z: 13 16.276 1.832 0.518 0.919 1.000 0.667 CA 1.191 13 residues pruned to eliminate duplicates Z: 11 9.604 1.585 0.353 0.849 1.000 0.800 CB 1.049 11 residues pruned to eliminate duplicates Z: 8 7.751 1.588 0.344 0.816 0.857 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 15 15.068 1.665 0.657 0.914 0.929 0.500 CB 1.112 15 residues pruned to eliminate duplicates Z: 8 5.432 1.523 0.430 0.475 1.000 0.714 CB 0.967 8 residues pruned to eliminate duplicates Z: 17 15.779 1.764 0.512 0.668 0.938 0.688 CA 1.349 17 residues pruned to eliminate duplicates Z: 8 4.607 1.362 0.723 0.804 1.000 1.000 CB 0.569 8 residues pruned to eliminate duplicates Z: 6 3.923 1.284 0.765 0.623 0.800 0.600 CB 0.862 Z: 16 3.977 1.597 0.367 0.139 0.733 0.333 CB 1.003 16 residues pruned to eliminate duplicates Z: 9 4.431 1.467 0.641 0.488 0.750 0.625 CB 0.878 9 residues pruned to eliminate duplicates Z: 8 6.255 1.598 0.356 0.699 0.857 0.714 CA 1.061 8 residues pruned to eliminate duplicates Z: 13 14.493 1.842 0.508 0.850 0.917 0.667 CA 1.217 13 residues pruned to eliminate duplicates Z: 6 5.057 1.701 0.368 0.705 0.800 0.800 CA 1.008 6 residues pruned to eliminate duplicates Z: 15 15.439 1.857 0.572 0.920 0.929 0.714 CB 1.073 15 residues pruned to eliminate duplicates Z: 7 2.247 1.427 0.506 0.425 0.500 0.333 CA 0.923 Z: 13 13.522 1.758 0.749 0.869 0.917 0.750 CB 1.011 12 residues pruned to eliminate duplicates Z: 21 10.894 1.632 0.539 0.472 0.800 0.550 CB 1.248 15 residues pruned to eliminate duplicates Z: 15 6.621 1.453 0.446 0.278 0.929 0.714 CB 1.166 15 residues pruned to eliminate duplicates Z: 11 8.953 1.633 0.384 0.518 1.000 0.500 CB 1.231 Z: 9 5.304 1.365 0.624 0.755 0.625 0.375 CB 1.079 9 residues pruned to eliminate duplicates Z: 6 4.109 1.446 0.590 0.328 1.000 0.600 N 0.965 Z: 7 6.826 1.562 0.911 0.653 1.000 0.833 CB 0.809 Z: 11 10.479 1.458 0.642 0.917 1.000 0.600 CB 0.977 11 residues pruned to eliminate duplicates Z: 9 8.767 1.739 0.451 0.914 1.000 0.750 CB 0.869 9 residues pruned to eliminate duplicates Z: 19 21.225 1.772 0.946 0.746 0.833 0.333 CA 1.397 19 residues pruned to eliminate duplicates Z: 9 8.583 1.480 0.314 0.896 1.000 0.750 CB 1.117 9 residues pruned to eliminate duplicates Z: 8 4.212 1.576 0.605 0.292 0.714 0.286 CA 1.112 8 residues pruned to eliminate duplicates Z: 6 3.126 1.448 0.285 0.302 1.000 0.400 N 0.937 Z: 6 2.656 1.531 -0.016 0.798 0.800 0.600 CA 0.759 6 residues pruned to eliminate duplicates Z: 8 4.197 1.357 0.368 0.418 1.000 0.714 CB 0.931 Z: 9 8.147 1.875 0.515 0.861 0.875 0.375 CB 0.852 9 residues pruned to eliminate duplicates Z: 14 7.440 1.539 0.492 0.491 0.846 0.615 CA 1.072 12 residues pruned to eliminate duplicates Z: 11 5.747 1.622 0.531 0.262 0.800 0.200 CA 1.201 11 residues pruned to eliminate duplicates Z: 6 3.435 1.181 0.838 0.812 0.600 0.600 CA 0.898 6 residues pruned to eliminate duplicates Z: 12 4.138 1.630 0.345 0.383 0.818 0.455 CB 0.788 12 residues pruned to eliminate duplicates Z: 6 2.089 1.586 -0.144 0.296 0.800 0.400 CB 1.079 Z: 6 3.079 1.392 0.123 0.642 1.000 0.800 CB 0.771 Z: 7 8.008 1.568 0.527 0.697 1.000 0.833 CA 1.141 7 residues pruned to eliminate duplicates Z: 11 8.972 1.602 0.650 0.870 1.000 0.700 CB 0.784 17 residues pruned to eliminate duplicates Z: 9 2.299 1.318 0.292 0.356 0.750 0.250 CB 0.744 Z: 40 19.293 1.738 0.498 0.633 0.923 0.538 CB 1.134 47 residues pruned to eliminate duplicates Z: 8 5.547 1.322 0.496 0.635 0.857 0.714 O 1.090 Z: 20 10.850 1.692 0.480 0.464 1.000 0.368 CB 1.031 29 residues pruned to eliminate duplicates Z: 10 5.369 1.480 0.678 0.801 0.667 0.333 CB 0.831 10 residues pruned to eliminate duplicates Z: 12 6.675 1.614 0.191 0.495 0.909 0.455 CB 1.158 Z: 6 5.618 1.575 0.211 0.558 1.000 0.800 CB 1.245 6 residues pruned to eliminate duplicates 6 1.606 1.326 0.610 0.296 0.800 0.600 CB 0.528 ? Z: 10 7.699 1.402 0.789 0.695 1.000 1.000 CA 0.856 8 residues pruned to eliminate duplicates Z: 7 2.475 1.504 0.482 0.360 0.667 0.667 CB 0.790 Z: 7 7.444 1.712 0.307 0.863 1.000 0.667 CB 0.996 7 residues pruned to eliminate duplicates Z: 28 15.390 1.692 0.530 0.564 0.889 0.519 CB 1.209 27 residues pruned to eliminate duplicates Z: 10 15.464 1.851 0.846 0.861 0.889 0.667 CB 1.246 10 residues pruned to eliminate duplicates Z: 9 3.492 1.331 0.546 0.320 1.000 0.500 CB 0.731 9 residues pruned to eliminate duplicates Z: 10 4.730 1.443 0.226 0.481 0.889 0.556 CB 1.022 10 residues pruned to eliminate duplicates Z: 9 5.443 1.637 0.542 0.511 0.750 0.500 CB 1.006 8 residues pruned to eliminate duplicates Z: 13 16.911 1.926 0.474 0.731 0.917 0.917 CB 1.525 13 residues pruned to eliminate duplicates Z: 17 12.148 1.763 0.616 0.456 0.875 0.562 CB 1.274 17 residues pruned to eliminate duplicates Z: 13 15.447 1.763 0.879 0.919 0.917 0.833 CB 1.035 13 residues pruned to eliminate duplicates Z: 10 7.647 1.524 0.334 0.656 1.000 0.778 CA 1.084 10 residues pruned to eliminate duplicates Z: 11 8.545 1.521 0.611 0.813 0.800 0.500 CA 1.050 11 residues pruned to eliminate duplicates Z: 13 9.961 1.630 0.853 0.386 0.917 0.583 CA 1.173 13 residues pruned to eliminate duplicates Z: 8 4.823 1.586 0.676 0.407 0.714 0.571 N 1.059 Z: 6 4.104 1.715 -0.130 0.726 0.800 0.600 CA 1.255 6 residues pruned to eliminate duplicates Z: 8 4.466 1.736 0.258 0.382 0.714 0.571 CA 1.226 8 residues pruned to eliminate duplicates Z: 7 5.304 1.750 0.269 0.704 0.833 0.667 CA 0.972 7 residues pruned to eliminate duplicates Z: 13 7.677 1.639 0.343 0.378 0.833 0.583 CA 1.376 13 residues pruned to eliminate duplicates Z: 12 3.149 1.370 0.534 0.159 0.727 0.455 CA 0.942 12 residues pruned to eliminate duplicates Z: 6 3.774 1.443 0.191 0.418 1.000 0.600 CB 1.070 Z: 23 15.917 1.799 0.598 0.681 0.909 0.636 CB 1.100 23 residues pruned to eliminate duplicates Z: 14 6.951 1.626 0.461 0.351 0.846 0.615 CA 1.126 14 residues pruned to eliminate duplicates Z: 11 8.506 1.613 0.631 0.905 0.900 0.800 CB 0.809 11 residues pruned to eliminate duplicates Z: 15 18.689 1.908 0.431 0.898 1.000 0.857 CB 1.308 15 residues pruned to eliminate duplicates Z: 10 14.705 1.730 1.098 0.852 1.000 0.667 CB 0.999 10 residues pruned to eliminate duplicates Z: 11 8.125 1.597 0.457 0.920 1.000 0.800 CB 0.778 11 residues pruned to eliminate duplicates Z: 10 4.199 1.510 0.476 0.229 0.778 0.444 CB 1.108 Z: 6 3.768 1.364 0.548 0.376 0.800 0.400 C 1.139 Z: 6 4.671 1.595 0.023 0.760 1.000 0.600 CB 1.016 6 residues pruned to eliminate duplicates Z: 7 4.266 1.361 0.321 0.581 1.000 0.500 N 0.896 7 residues pruned to eliminate duplicates Z: 22 15.054 1.723 0.729 0.576 0.857 0.571 CB 1.196 23 residues pruned to eliminate duplicates Z: 9 10.925 1.734 0.942 0.897 1.000 0.875 CB 0.821 9 residues pruned to eliminate duplicates Z: 12 3.294 1.349 0.131 0.456 0.727 0.455 CB 0.937 Z: 13 8.269 1.541 0.633 0.855 0.833 0.750 CB 0.840 13 residues pruned to eliminate duplicates Z: 7 4.392 1.531 0.210 0.448 0.833 0.667 C 1.225 7 residues pruned to eliminate duplicates Z: 14 6.557 1.620 0.239 0.454 0.846 0.462 CB 1.123 14 residues pruned to eliminate duplicates 6 0.769 1.197 0.728 0.286 0.600 0.600 CB 0.353 ? Z: 8 9.792 1.647 0.492 0.747 1.000 0.571 CA 1.208 8 residues pruned to eliminate duplicates Z: 23 12.461 1.773 0.445 0.640 0.909 0.773 CB 1.001 24 residues pruned to eliminate duplicates Z: 10 9.630 1.567 0.620 0.676 0.889 0.667 CB 1.209 9 residues pruned to eliminate duplicates Z: 8 4.193 1.307 0.488 0.575 0.714 0.429 CA 1.062 Z: 8 2.638 1.480 0.256 0.187 0.714 0.429 N 1.093 Z: 23 9.831 1.531 0.627 0.435 0.864 0.273 CB 1.041 23 residues pruned to eliminate duplicates Z: 11 9.412 1.459 0.322 0.893 1.000 0.600 CB 1.107 11 residues pruned to eliminate duplicates Z: 12 5.371 1.460 1.071 0.547 0.727 0.455 CB 0.703 13 residues pruned to eliminate duplicates Z: 6 8.618 1.587 0.481 0.822 1.000 0.600 N 1.241 10 residues pruned to eliminate duplicates Z: 6 3.461 1.326 0.517 0.575 0.800 0.400 CB 0.895 6 residues pruned to eliminate duplicates Z: 8 7.481 1.523 0.345 0.786 0.857 0.714 CB 1.252 8 residues pruned to eliminate duplicates Z: 8 5.871 1.500 0.572 0.599 0.857 0.571 CA 1.000 8 residues pruned to eliminate duplicates Z: 12 8.035 1.625 0.697 0.817 0.909 0.727 CB 0.734 12 residues pruned to eliminate duplicates Z: 12 13.619 1.607 0.819 0.837 1.000 0.727 CB 1.050 12 residues pruned to eliminate duplicates Z: 7 2.414 1.298 0.370 0.301 0.833 0.500 CA 0.831 Z: 6 2.480 1.258 0.303 0.415 0.800 0.800 CA 0.925 6 1.687 1.305 0.234 0.457 0.600 0.600 N 0.816 ? Z: 11 8.847 1.614 0.629 0.893 1.000 0.700 CB 0.764 11 residues pruned to eliminate duplicates Z: 10 6.156 1.427 0.306 0.807 1.000 0.778 CB 0.842 10 residues pruned to eliminate duplicates Z: 7 2.871 1.373 0.325 0.403 0.667 0.167 CA 1.070 6 residues pruned to eliminate duplicates Z: 6 2.111 1.399 0.109 0.100 1.000 0.400 CB 1.014 Z: 13 7.356 1.654 0.571 0.446 1.000 0.417 CB 0.865 6 residues pruned to eliminate duplicates Z: 13 5.571 1.453 0.367 0.458 0.750 0.417 CA 1.127 10 residues pruned to eliminate duplicates Z: 10 7.196 1.733 0.399 0.495 0.889 0.556 CB 1.118 10 residues pruned to eliminate duplicates Z: 7 3.629 1.765 0.217 0.164 0.833 0.667 CB 1.246 7 residues pruned to eliminate duplicates Z: 19 8.828 1.688 0.274 0.623 0.778 0.389 CA 1.108 14 residues pruned to eliminate duplicates Z: 7 7.615 1.652 0.465 0.785 0.833 0.500 CA 1.200 7 residues pruned to eliminate duplicates Z: 12 6.926 1.745 0.130 0.463 0.818 0.636 CA 1.343 9 residues pruned to eliminate duplicates Z: 6 3.111 1.298 0.089 0.554 1.000 0.400 C 0.934 Z: 12 6.282 1.650 0.312 0.348 0.909 0.364 CA 1.134 12 residues pruned to eliminate duplicates Z: 8 4.641 1.339 0.662 0.339 0.857 0.571 N 1.096 Z: 16 21.639 1.791 0.730 0.812 1.000 0.600 CA 1.375 16 residues pruned to eliminate duplicates Z: 9 3.801 1.367 0.311 0.386 0.875 0.625 CA 0.967 Z: 10 7.734 1.622 0.254 0.812 1.000 0.667 CB 0.966 10 residues pruned to eliminate duplicates Z: 12 6.802 1.535 0.595 0.493 0.818 0.636 CB 1.031 12 residues pruned to eliminate duplicates Z: 7 4.937 1.277 0.863 0.495 1.000 0.833 CA 0.851 5 residues pruned to eliminate duplicates Z: 12 12.493 1.817 0.322 0.882 1.000 0.727 CB 1.134 12 residues pruned to eliminate duplicates Z: 6 2.593 1.388 0.386 0.325 0.800 0.600 N 0.912 Z: 10 3.933 1.347 0.903 0.429 0.667 0.333 CB 0.826 Z: 12 13.383 1.682 0.660 0.874 1.000 0.636 CB 1.051 12 residues pruned to eliminate duplicates Z: 14 13.387 1.548 0.822 0.830 0.923 0.769 CA 1.072 14 residues pruned to eliminate duplicates Z: 13 10.266 1.654 0.480 0.871 0.917 0.500 CB 0.963 13 residues pruned to eliminate duplicates Z: 9 9.106 1.569 0.990 0.864 1.000 0.875 CB 0.756 9 residues pruned to eliminate duplicates Z: 7 7.361 1.454 1.240 0.460 0.833 0.667 N 1.153 Z: 14 10.952 1.649 0.870 0.361 0.923 0.692 CA 1.239 14 residues pruned to eliminate duplicates Z: 13 8.208 1.324 0.403 0.832 1.000 0.667 CB 0.958 11 residues pruned to eliminate duplicates Z: 32 12.955 1.724 0.353 0.471 0.903 0.581 CB 1.137 38 residues pruned to eliminate duplicates Z: 28 20.310 1.802 0.627 0.567 0.926 0.556 CA 1.349 28 residues pruned to eliminate duplicates 6 1.465 1.374 -0.075 0.293 0.800 0.400 CB 0.812 ? Z: 12 5.536 1.389 0.793 0.396 0.818 0.455 CA 0.914 Z: 11 9.895 1.728 0.721 0.592 0.800 0.500 CA 1.205 11 residues pruned to eliminate duplicates Z: 12 7.536 1.691 0.512 0.279 0.909 0.545 CA 1.255 12 residues pruned to eliminate duplicates Z: 6 3.223 1.293 0.915 0.480 0.800 0.600 CB 0.742 Z: 7 5.882 1.737 0.299 0.575 0.833 0.500 CB 1.187 Z: 13 12.616 1.535 0.712 0.829 0.917 0.833 CA 1.138 13 residues pruned to eliminate duplicates Z: 12 11.724 1.599 0.694 0.910 1.000 0.818 CB 0.925 11 residues pruned to eliminate duplicates Z: 16 13.885 1.700 0.465 0.663 0.933 0.533 CA 1.327 16 residues pruned to eliminate duplicates Z: 6 6.694 1.440 0.530 0.722 1.000 1.000 CA 1.111 6 residues pruned to eliminate duplicates Z: 15 10.957 1.521 0.748 0.766 0.929 0.857 CA 0.937 15 residues pruned to eliminate duplicates Z: 10 9.998 1.621 0.601 0.861 0.889 0.778 CA 1.061 10 residues pruned to eliminate duplicates Z: 6 6.923 1.610 0.657 0.741 1.000 0.600 CA 0.935 6 residues pruned to eliminate duplicates Z: 9 7.159 1.570 0.352 0.625 1.000 0.875 CA 1.060 9 residues pruned to eliminate duplicates Z: 23 5.521 1.499 0.579 0.245 0.727 0.455 CB 0.918 23 residues pruned to eliminate duplicates Z: 6 2.882 1.491 0.833 0.454 0.800 0.600 CB 0.618 Z: 14 13.557 1.756 0.605 0.808 0.846 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 6 2.706 1.217 0.449 0.426 0.800 0.400 CB 0.927 Z: 6 5.913 1.262 0.758 0.661 1.000 0.600 O 1.026 Z: 8 2.371 1.363 0.731 0.323 0.714 0.429 CB 0.646 8 residues pruned to eliminate duplicates Z: 18 11.239 1.635 0.363 0.678 0.882 0.647 CB 1.176 18 residues pruned to eliminate duplicates Z: 8 9.483 1.680 0.763 0.569 1.000 0.571 CB 1.132 8 residues pruned to eliminate duplicates Z: 6 3.085 1.497 0.719 0.311 0.800 0.400 N 0.827 10 residues pruned to eliminate duplicates Z: 18 9.053 1.537 0.531 0.462 0.824 0.235 CB 1.178 18 residues pruned to eliminate duplicates Z: 7 3.075 1.502 0.471 0.392 0.833 0.667 CB 0.764 6 1.281 1.069 0.332 0.594 0.800 0.400 CB 0.460 ? Z: 11 6.486 1.651 0.374 0.338 0.800 0.500 CA 1.349 7 residues pruned to eliminate duplicates Z: 14 11.917 1.671 0.682 0.311 1.000 0.769 O 1.450 14 residues pruned to eliminate duplicates Z: 10 7.738 1.618 0.260 0.858 1.000 0.778 CB 0.931 10 residues pruned to eliminate duplicates Z: 11 9.567 1.496 0.434 0.838 1.000 1.000 CB 1.054 11 residues pruned to eliminate duplicates Z: 10 16.472 1.665 0.889 0.830 1.000 0.667 CB 1.313 10 residues pruned to eliminate duplicates Z: 14 9.216 1.650 0.828 0.295 0.923 0.615 CA 1.155 12 residues pruned to eliminate duplicates Z: 9 6.585 1.646 0.414 0.529 0.875 0.375 CB 1.111 9 residues pruned to eliminate duplicates Z: 8 9.107 1.623 0.711 0.840 0.714 0.429 CB 1.295 8 residues pruned to eliminate duplicates Z: 7 5.060 1.424 0.349 0.612 1.000 0.500 CA 0.967 Z: 10 7.475 1.672 0.336 0.871 1.000 0.889 CB 0.813 9 residues pruned to eliminate duplicates Z: 15 9.770 1.662 0.660 0.362 0.929 0.643 CA 1.182 14 residues pruned to eliminate duplicates Z: 11 5.617 1.643 0.518 0.341 0.800 0.600 CA 1.059 11 residues pruned to eliminate duplicates Z: 11 8.921 1.645 0.680 0.381 0.900 0.600 CA 1.288 11 residues pruned to eliminate duplicates Z: 9 5.496 1.583 0.574 0.358 1.000 0.625 CA 0.908 9 residues pruned to eliminate duplicates Z: 16 12.995 1.646 0.594 0.843 0.867 0.400 CB 1.098 16 residues pruned to eliminate duplicates Z: 6 2.362 1.344 0.029 0.494 0.800 0.600 CA 0.960 Z: 6 2.044 1.268 0.168 0.607 0.600 0.600 N 0.929 Z: 9 7.906 1.576 0.383 0.669 1.000 0.750 CB 1.097 8 residues pruned to eliminate duplicates 6 1.566 1.184 0.398 0.289 0.800 0.800 O 0.670 ? Z: 10 8.351 1.563 0.700 0.459 0.889 0.667 CB 1.229 10 residues pruned to eliminate duplicates Z: 15 15.365 1.694 0.664 0.896 0.929 0.643 CA 1.123 14 residues pruned to eliminate duplicates Z: 6 3.230 1.729 -0.087 0.771 0.800 0.600 CB 0.899 6 residues pruned to eliminate duplicates Z: 7 2.158 1.576 0.326 0.623 0.833 0.500 CB 0.451 Z: 11 9.626 1.681 0.404 0.873 0.800 0.400 CB 1.174 11 residues pruned to eliminate duplicates Z: 6 3.838 1.258 0.725 0.372 1.000 0.400 CA 0.907 Z: 10 7.443 1.658 0.524 0.354 0.889 0.333 CB 1.292 7 residues pruned to eliminate duplicates Z: 9 5.068 1.440 0.401 0.618 0.875 0.500 CB 0.908 9 residues pruned to eliminate duplicates Z: 29 16.722 1.741 0.615 0.603 0.929 0.714 CB 1.097 29 residues pruned to eliminate duplicates Z: 9 5.680 1.459 0.547 0.388 0.875 0.375 CA 1.145 9 residues pruned to eliminate duplicates Z: 6 2.481 1.238 0.689 0.435 0.600 0.600 O 0.946 7 1.395 1.174 0.080 0.324 0.667 0.500 C 0.817 ? Z: 7 5.138 1.634 0.079 0.771 1.000 0.667 CA 0.936 7 residues pruned to eliminate duplicates Z: 9 9.120 1.576 0.394 0.792 1.000 0.500 CA 1.136 9 residues pruned to eliminate duplicates Z: 12 13.754 1.865 0.281 0.922 1.000 0.909 CB 1.221 12 residues pruned to eliminate duplicates Z: 11 5.503 1.350 0.368 0.459 0.900 0.500 CA 1.091 11 residues pruned to eliminate duplicates 858 residues left after pruning, divided into chains as follows: A: 10 B: 10 C: 6 D: 9 E: 10 F: 6 G: 6 H: 17 I: 40 J: 12 K: 16 L: 6 M: 13 N: 8 O: 11 P: 9 Q: 7 R: 16 S: 11 T: 30 U: 7 V: 8 W: 15 X: 21 Y: 8 Z: 37 Z: 24 Z: 20 Z: 9 Z: 11 Z: 32 Z: 11 Z: 19 Z: 17 Z: 12 Z: 33 Z: 11 Z: 35 Z: 12 Z: 11 Z: 29 Z: 36 Z: 18 Z: 12 Z: 12 Z: 20 Z: 40 Z: 7 Z: 9 Z: 18 Z: 16 Z: 26 Z: 9 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 44.45 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.364, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.441, Connect. = 0.719 for dens.mod. cycle 2 = 0.300, Contrast = 0.520, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.529, Connect. = 0.754 for dens.mod. cycle 4 = 0.300, Contrast = 0.540, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.542, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.547, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.548, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.551, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.551, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5538 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1248 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 30.792 2.072 0.866 0.831 1.000 0.688 CA 1.496 B: 13 22.337 1.953 0.879 0.843 1.000 0.500 CB 1.308 C: 16 23.518 2.045 0.504 0.865 0.933 0.733 CA 1.550 D: 12 29.067 2.172 0.903 0.914 1.000 0.727 CB 1.500 E: 12 21.966 2.124 0.556 0.930 1.000 0.727 CB 1.401 F: 11 29.784 2.265 0.938 0.909 1.000 0.700 CB 1.523 11 residues pruned to eliminate duplicates G: 13 20.127 2.098 0.606 0.865 0.917 0.750 CB 1.378 12 residues pruned to eliminate duplicates H: 17 23.270 2.106 0.540 0.828 0.938 0.625 CA 1.441 16 residues pruned to eliminate duplicates I: 13 18.057 2.098 0.287 0.916 1.000 0.917 CA 1.363 J: 13 21.544 2.139 0.408 0.863 1.000 0.917 CA 1.516 K: 14 23.156 2.147 0.458 0.905 1.000 0.692 CB 1.461 13 residues pruned to eliminate duplicates L: 15 27.684 1.984 0.871 0.892 1.000 0.714 CA 1.432 14 residues pruned to eliminate duplicates M: 16 31.423 2.180 0.757 0.872 1.000 0.533 CA 1.543 N: 15 21.552 1.906 0.619 0.902 1.000 0.714 CB 1.331 O: 12 22.897 2.191 0.442 0.924 1.000 0.909 CB 1.534 12 residues pruned to eliminate duplicates P: 16 31.069 2.160 0.797 0.867 0.933 0.800 CA 1.620 16 residues pruned to eliminate duplicates Q: 16 32.960 2.230 1.038 0.876 1.000 0.733 CA 1.360 R: 14 16.439 1.930 0.379 0.888 1.000 0.846 CB 1.234 14 residues pruned to eliminate duplicates S: 12 23.841 2.137 0.505 0.883 1.000 0.636 CB 1.617 12 residues pruned to eliminate duplicates T: 15 24.064 1.938 0.766 0.818 1.000 0.786 CA 1.426 13 residues pruned to eliminate duplicates U: 14 16.280 2.102 0.331 0.829 0.923 0.692 CA 1.316 V: 11 24.355 2.155 0.842 0.891 0.900 0.700 CB 1.550 11 residues pruned to eliminate duplicates W: 10 12.233 1.984 0.455 0.802 0.889 0.667 CB 1.221 X: 14 24.290 2.066 0.574 0.915 1.000 0.846 CA 1.465 13 residues pruned to eliminate duplicates Y: 12 20.797 2.180 0.503 0.920 1.000 0.727 CB 1.347 Z: 14 22.276 2.013 0.589 0.919 1.000 0.615 CA 1.361 13 residues pruned to eliminate duplicates Z: 13 19.985 2.033 0.762 0.891 1.000 0.500 CB 1.158 13 residues pruned to eliminate duplicates Z: 18 25.187 1.943 0.771 0.854 0.941 0.824 CA 1.394 Z: 17 22.935 2.063 0.537 0.845 0.938 0.750 CA 1.435 17 residues pruned to eliminate duplicates Z: 14 20.373 2.125 0.504 0.866 0.846 0.615 CA 1.529 13 residues pruned to eliminate duplicates Z: 17 22.137 1.903 0.386 0.879 1.000 0.750 CB 1.521 16 residues pruned to eliminate duplicates Z: 17 25.741 2.024 0.683 0.866 0.875 0.688 CA 1.580 19 residues pruned to eliminate duplicates Z: 14 19.137 2.090 0.334 0.814 0.923 0.692 CB 1.569 14 residues pruned to eliminate duplicates Z: 16 31.663 2.183 1.029 0.918 1.000 0.733 CA 1.302 16 residues pruned to eliminate duplicates Z: 12 22.527 2.103 0.776 0.915 1.000 0.545 CB 1.286 12 residues pruned to eliminate duplicates Z: 11 12.963 1.815 0.465 0.830 0.900 0.700 CA 1.287 Z: 16 26.874 2.084 0.502 0.862 1.000 0.867 CA 1.627 16 residues pruned to eliminate duplicates Z: 15 30.065 2.143 0.608 0.899 1.000 0.714 CA 1.667 16 residues pruned to eliminate duplicates Z: 12 22.571 2.209 0.536 0.897 1.000 0.909 CB 1.436 12 residues pruned to eliminate duplicates Z: 15 22.321 1.992 0.488 0.901 1.000 0.571 CA 1.437 13 residues pruned to eliminate duplicates Z: 12 18.632 2.155 0.507 0.864 0.909 0.636 CB 1.395 12 residues pruned to eliminate duplicates Z: 14 17.905 2.112 0.419 0.869 0.846 0.769 CA 1.430 14 residues pruned to eliminate duplicates Z: 16 22.904 2.043 0.372 0.911 1.000 0.933 CB 1.495 16 residues pruned to eliminate duplicates Z: 9 22.595 2.257 0.847 0.874 0.875 0.625 CA 1.594 9 residues pruned to eliminate duplicates Z: 18 12.120 1.806 0.484 0.386 0.882 0.647 CB 1.403 Z: 35 21.632 1.990 0.449 0.536 0.882 0.529 CB 1.406 14 residues pruned to eliminate duplicates Z: 18 22.139 1.873 0.584 0.836 0.941 0.647 CA 1.439 18 residues pruned to eliminate duplicates Z: 13 22.861 1.984 0.556 0.912 1.000 0.833 CA 1.514 Z: 17 20.335 1.947 0.585 0.882 1.000 0.875 CA 1.192 18 residues pruned to eliminate duplicates Z: 12 22.104 2.002 0.625 0.843 1.000 0.636 CB 1.525 12 residues pruned to eliminate duplicates Z: 15 22.808 2.019 0.639 0.820 0.857 0.357 CA 1.629 15 residues pruned to eliminate duplicates Z: 15 14.730 1.812 0.395 0.777 1.000 0.786 CA 1.219 11 residues pruned to eliminate duplicates Z: 13 17.491 2.044 0.760 0.851 0.917 0.750 CB 1.133 13 residues pruned to eliminate duplicates Z: 13 24.706 2.155 0.558 0.919 1.000 0.750 CB 1.496 13 residues pruned to eliminate duplicates Z: 16 15.275 1.971 0.750 0.570 0.800 0.533 CB 1.336 Z: 13 21.108 2.034 0.675 0.907 0.917 0.750 CA 1.387 Z: 11 12.918 1.684 0.594 0.829 0.900 0.600 CA 1.272 11 residues pruned to eliminate duplicates Z: 14 23.802 2.044 0.775 0.854 0.923 0.769 CA 1.456 14 residues pruned to eliminate duplicates Z: 37 25.469 1.936 0.711 0.587 0.889 0.611 CB 1.326 Z: 15 31.781 2.229 0.720 0.898 1.000 0.714 CB 1.585 15 residues pruned to eliminate duplicates Z: 13 29.444 2.198 0.869 0.897 0.917 0.667 CA 1.616 14 residues pruned to eliminate duplicates Z: 16 29.788 2.181 0.610 0.922 1.000 0.667 CA 1.541 15 residues pruned to eliminate duplicates Z: 13 23.167 2.157 0.461 0.913 1.000 0.917 CA 1.501 13 residues pruned to eliminate duplicates Z: 15 21.381 2.010 0.619 0.856 0.929 0.714 CA 1.395 14 residues pruned to eliminate duplicates Z: 9 7.564 1.900 0.304 0.588 0.875 0.625 CB 1.134 Z: 15 36.712 2.270 1.130 0.921 1.000 0.786 CA 1.428 16 residues pruned to eliminate duplicates Z: 13 21.985 2.144 0.569 0.889 0.917 0.500 CB 1.482 14 residues pruned to eliminate duplicates Z: 8 10.589 1.728 0.707 0.743 0.857 0.857 CB 1.274 8 residues pruned to eliminate duplicates Z: 21 11.671 1.736 0.602 0.487 0.850 0.500 CA 1.118 Z: 14 16.205 2.007 0.490 0.827 0.846 0.692 CA 1.338 14 residues pruned to eliminate duplicates Z: 31 21.034 2.049 0.469 0.452 0.933 0.633 CB 1.435 18 residues pruned to eliminate duplicates Z: 30 27.719 2.026 0.759 0.596 0.862 0.448 CA 1.529 18 residues pruned to eliminate duplicates Z: 13 20.975 2.109 0.591 0.831 0.917 0.417 CA 1.479 13 residues pruned to eliminate duplicates Z: 17 29.427 2.100 0.735 0.875 1.000 0.688 CA 1.469 17 residues pruned to eliminate duplicates Z: 17 31.141 2.110 0.903 0.831 0.938 0.562 CA 1.554 17 residues pruned to eliminate duplicates Z: 10 15.713 1.894 0.737 0.864 1.000 0.778 CA 1.167 Z: 34 30.490 2.045 0.699 0.547 1.000 0.424 CA 1.459 28 residues pruned to eliminate duplicates Z: 17 27.873 2.076 0.750 0.837 0.938 0.750 CA 1.529 17 residues pruned to eliminate duplicates Z: 37 23.012 2.027 0.526 0.513 0.861 0.556 CB 1.421 Z: 13 20.773 2.078 0.539 0.845 1.000 0.833 CB 1.394 11 residues pruned to eliminate duplicates Z: 10 16.900 1.838 0.930 0.907 1.000 0.778 CB 1.129 10 residues pruned to eliminate duplicates Z: 12 17.263 1.954 0.498 0.934 1.000 0.909 CA 1.241 Z: 8 8.918 1.972 -0.062 0.881 0.857 0.714 CA 1.539 8 residues pruned to eliminate duplicates Z: 16 18.557 1.842 0.613 0.852 0.867 0.600 CB 1.377 16 residues pruned to eliminate duplicates Z: 21 10.777 1.893 0.467 0.381 0.800 0.550 CB 1.232 21 residues pruned to eliminate duplicates Z: 13 15.838 1.864 0.459 0.878 0.917 0.833 CB 1.330 Z: 14 11.650 1.806 0.313 0.902 0.923 0.846 CB 1.053 Z: 8 15.833 2.119 0.548 0.883 0.857 0.857 CB 1.539 8 residues pruned to eliminate duplicates Z: 11 18.104 1.767 1.113 0.908 1.000 0.900 CB 1.089 11 residues pruned to eliminate duplicates Z: 15 15.401 1.998 0.406 0.826 0.857 0.571 CA 1.289 15 residues pruned to eliminate duplicates Z: 14 17.018 2.007 0.625 0.857 0.923 0.692 CA 1.155 13 residues pruned to eliminate duplicates Z: 14 20.829 2.121 0.486 0.867 1.000 0.923 CA 1.342 13 residues pruned to eliminate duplicates Z: 9 15.492 1.998 0.554 0.901 0.875 0.625 CA 1.439 Z: 14 18.945 1.804 0.640 0.858 1.000 0.923 CA 1.308 15 residues pruned to eliminate duplicates Z: 13 21.708 2.000 0.804 0.908 1.000 0.750 CA 1.233 14 residues pruned to eliminate duplicates Z: 13 20.822 1.983 0.820 0.901 1.000 0.667 CA 1.189 13 residues pruned to eliminate duplicates Z: 16 20.566 1.858 0.830 0.825 0.933 0.600 CB 1.263 16 residues pruned to eliminate duplicates Z: 7 5.158 1.731 0.353 0.504 0.667 0.500 CA 1.343 Z: 10 10.239 1.901 0.082 0.910 0.889 0.889 CB 1.323 Z: 12 19.826 2.187 0.524 0.887 1.000 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 14 25.411 2.070 0.694 0.922 1.000 0.462 CB 1.414 14 residues pruned to eliminate duplicates Z: 11 15.873 1.805 0.520 0.883 1.000 0.700 CB 1.323 11 residues pruned to eliminate duplicates Z: 14 27.054 2.033 1.212 0.838 1.000 0.154 CB 1.247 15 residues pruned to eliminate duplicates Z: 17 26.907 2.072 0.904 0.868 0.938 0.438 CA 1.330 17 residues pruned to eliminate duplicates Z: 12 28.050 2.228 0.832 0.895 1.000 0.636 CB 1.486 12 residues pruned to eliminate duplicates Z: 15 27.060 2.137 0.464 0.926 1.000 0.857 CA 1.622 15 residues pruned to eliminate duplicates Z: 17 27.430 2.174 0.708 0.901 0.938 0.750 CA 1.406 17 residues pruned to eliminate duplicates Z: 14 24.500 1.969 0.968 0.906 1.000 0.615 CA 1.248 13 residues pruned to eliminate duplicates Z: 16 28.151 2.069 0.593 0.854 1.000 0.600 CA 1.629 18 residues pruned to eliminate duplicates Z: 15 16.405 1.903 0.537 0.867 1.000 0.929 CB 1.097 15 residues pruned to eliminate duplicates Z: 17 25.338 2.027 0.561 0.887 0.938 0.375 CB 1.539 17 residues pruned to eliminate duplicates Z: 16 20.738 2.055 0.403 0.890 1.000 0.733 CA 1.335 17 residues pruned to eliminate duplicates Z: 28 25.212 1.973 0.739 0.587 0.963 0.667 CB 1.351 28 residues pruned to eliminate duplicates Z: 13 24.086 2.030 0.638 0.932 1.000 0.917 CA 1.460 13 residues pruned to eliminate duplicates Z: 17 26.285 1.989 0.695 0.892 1.000 0.750 CA 1.400 17 residues pruned to eliminate duplicates Z: 6 9.395 1.907 0.139 0.859 1.000 1.000 CA 1.423 6 residues pruned to eliminate duplicates Z: 14 24.458 2.083 0.616 0.867 0.923 0.385 CA 1.597 14 residues pruned to eliminate duplicates Z: 26 24.493 1.978 0.659 0.592 1.000 0.720 CA 1.367 14 residues pruned to eliminate duplicates Z: 13 20.814 2.150 0.734 0.858 0.917 0.667 CB 1.294 13 residues pruned to eliminate duplicates Z: 14 24.247 2.017 0.593 0.927 1.000 0.846 CB 1.467 16 residues pruned to eliminate duplicates Z: 25 19.525 2.024 0.445 0.584 0.875 0.542 CB 1.436 19 residues pruned to eliminate duplicates Z: 17 21.066 1.979 0.582 0.856 0.938 0.875 CA 1.323 17 residues pruned to eliminate duplicates Z: 11 20.115 1.902 1.105 0.711 0.900 0.300 N 1.458 14 residues pruned to eliminate duplicates Z: 12 20.534 2.068 0.670 0.911 1.000 0.818 CA 1.271 12 residues pruned to eliminate duplicates Z: 15 34.946 2.258 0.776 0.892 0.929 0.286 CB 1.802 17 residues pruned to eliminate duplicates Z: 11 11.528 1.754 0.262 0.931 1.000 0.900 CB 1.151 Z: 14 22.688 1.963 0.786 0.882 0.923 0.538 CB 1.407 14 residues pruned to eliminate duplicates Z: 10 27.692 2.158 0.914 0.915 1.000 0.778 CA 1.579 9 residues pruned to eliminate duplicates Z: 12 19.357 2.023 0.535 0.889 0.909 0.818 CA 1.488 8 residues pruned to eliminate duplicates Z: 12 25.468 2.032 1.000 0.902 1.000 0.727 CA 1.348 12 residues pruned to eliminate duplicates Z: 8 6.800 1.806 -0.047 0.730 0.857 0.286 CA 1.416 Z: 17 25.739 1.989 0.726 0.853 0.938 0.875 CA 1.477 17 residues pruned to eliminate duplicates Z: 16 30.811 2.155 0.898 0.881 1.000 0.333 CA 1.408 16 residues pruned to eliminate duplicates Z: 14 22.187 2.099 0.522 0.845 0.923 0.769 CA 1.551 14 residues pruned to eliminate duplicates Z: 16 30.937 2.179 1.000 0.877 1.000 0.867 CA 1.331 15 residues pruned to eliminate duplicates Z: 12 16.129 1.872 0.593 0.929 1.000 0.455 CA 1.141 12 residues pruned to eliminate duplicates Z: 14 25.029 2.070 0.622 0.847 1.000 0.692 CA 1.535 14 residues pruned to eliminate duplicates Z: 6 9.186 1.578 0.561 0.850 1.000 1.000 CA 1.236 6 residues pruned to eliminate duplicates Z: 14 12.324 1.970 0.450 0.331 1.000 0.769 CB 1.440 14 residues pruned to eliminate duplicates Z: 14 19.665 1.900 0.925 0.742 0.923 0.462 CA 1.301 14 residues pruned to eliminate duplicates Z: 57 32.441 2.091 0.584 0.528 0.929 0.643 CB 1.371 42 residues pruned to eliminate duplicates Z: 12 17.567 2.029 0.425 0.923 1.000 0.909 CB 1.287 12 residues pruned to eliminate duplicates Z: 13 13.933 1.779 0.370 0.920 1.000 1.000 CB 1.162 Z: 16 29.005 2.152 0.952 0.906 0.867 0.400 CB 1.463 16 residues pruned to eliminate duplicates Z: 9 8.846 1.812 0.119 0.852 0.875 0.625 CA 1.305 9 residues pruned to eliminate duplicates Z: 16 13.085 1.837 0.773 0.308 0.867 0.600 CA 1.481 Z: 16 9.207 1.778 0.406 0.459 0.800 0.467 CA 1.239 11 residues pruned to eliminate duplicates Z: 15 15.691 1.894 0.469 0.927 0.929 0.643 CB 1.138 16 residues pruned to eliminate duplicates Z: 13 18.479 1.804 0.915 0.886 0.917 0.917 CA 1.216 13 residues pruned to eliminate duplicates Z: 8 9.162 1.782 0.403 0.876 0.857 0.714 CA 1.173 Z: 14 16.845 1.897 0.429 0.812 1.000 0.769 CA 1.313 14 residues pruned to eliminate duplicates Z: 16 35.053 2.200 1.092 0.879 1.000 0.533 CA 1.426 16 residues pruned to eliminate duplicates Z: 16 23.132 2.148 0.580 0.894 1.000 0.867 CA 1.263 16 residues pruned to eliminate duplicates Z: 11 17.382 1.931 0.408 0.916 1.000 0.900 CA 1.428 Z: 34 27.955 2.084 0.658 0.542 0.909 0.697 CB 1.487 34 residues pruned to eliminate duplicates Z: 19 9.794 1.766 0.453 0.342 0.889 0.611 CB 1.202 20 residues pruned to eliminate duplicates Z: 14 22.889 2.103 0.541 0.881 1.000 0.846 CA 1.420 14 residues pruned to eliminate duplicates Z: 14 14.980 1.812 0.571 0.876 0.923 0.692 CB 1.149 14 residues pruned to eliminate duplicates Z: 10 12.236 1.878 0.350 0.891 1.000 0.889 CB 1.156 10 residues pruned to eliminate duplicates Z: 9 6.065 1.778 0.301 0.491 0.750 0.625 CA 1.247 Z: 16 19.438 2.142 0.681 0.851 0.733 0.467 CB 1.407 16 residues pruned to eliminate duplicates Z: 12 24.622 2.056 0.868 0.894 1.000 0.727 CA 1.387 12 residues pruned to eliminate duplicates Z: 16 34.029 2.143 0.839 0.844 0.933 0.733 CA 1.778 16 residues pruned to eliminate duplicates Z: 17 22.158 2.125 0.640 0.871 1.000 0.688 CA 1.159 17 residues pruned to eliminate duplicates Z: 21 21.226 2.102 0.578 0.645 0.850 0.500 CB 1.471 21 residues pruned to eliminate duplicates Z: 16 22.653 2.019 0.363 0.908 1.000 0.733 CB 1.510 16 residues pruned to eliminate duplicates Z: 7 7.359 1.938 0.015 0.729 0.833 0.500 CA 1.491 7 residues pruned to eliminate duplicates Z: 78 37.083 2.034 0.520 0.527 0.935 0.610 CB 1.423 41 residues pruned to eliminate duplicates Z: 13 24.261 1.978 0.788 0.917 1.000 0.833 CB 1.398 13 residues pruned to eliminate duplicates Z: 14 20.153 2.079 0.421 0.879 1.000 0.923 CA 1.372 14 residues pruned to eliminate duplicates Z: 13 21.376 1.925 0.629 0.922 1.000 0.833 CA 1.384 13 residues pruned to eliminate duplicates Z: 14 7.174 1.837 0.377 0.210 0.769 0.538 CB 1.442 10 residues pruned to eliminate duplicates Z: 14 14.828 1.716 0.690 0.878 0.923 0.769 CB 1.115 13 residues pruned to eliminate duplicates Z: 13 16.524 1.898 0.836 0.581 0.917 0.583 CA 1.381 14 residues pruned to eliminate duplicates Z: 12 13.677 1.703 0.524 0.781 0.909 0.727 CB 1.364 12 residues pruned to eliminate duplicates Z: 6 5.565 1.835 0.089 0.747 0.800 0.800 CB 1.247 6 residues pruned to eliminate duplicates Z: 6 3.870 1.682 -0.089 0.877 0.800 0.600 CB 1.025 6 residues pruned to eliminate duplicates Z: 13 19.411 1.934 0.604 0.932 1.000 0.583 CA 1.262 13 residues pruned to eliminate duplicates Z: 36 24.944 1.923 0.695 0.578 0.971 0.657 CB 1.235 49 residues pruned to eliminate duplicates Z: 41 29.571 2.017 0.673 0.679 0.875 0.600 CB 1.343 53 residues pruned to eliminate duplicates Z: 14 13.659 1.671 0.577 0.826 0.923 0.846 CB 1.175 13 residues pruned to eliminate duplicates Z: 17 23.164 2.035 0.529 0.890 0.938 0.938 CB 1.428 17 residues pruned to eliminate duplicates Z: 35 26.017 2.030 0.596 0.561 0.971 0.559 CA 1.337 17 residues pruned to eliminate duplicates Z: 13 21.345 1.901 0.957 0.851 0.917 0.667 CB 1.338 13 residues pruned to eliminate duplicates Z: 12 21.083 2.041 0.585 0.927 1.000 0.727 CA 1.377 12 residues pruned to eliminate duplicates Z: 14 21.911 2.143 0.639 0.905 0.923 0.923 CA 1.334 14 residues pruned to eliminate duplicates Z: 8 10.765 1.992 0.177 0.852 1.000 1.000 CB 1.283 Z: 16 31.274 2.224 0.773 0.857 1.000 0.533 CA 1.509 16 residues pruned to eliminate duplicates Z: 16 32.708 2.236 0.960 0.903 0.933 0.333 CA 1.471 16 residues pruned to eliminate duplicates Z: 11 18.538 1.821 1.047 0.922 1.000 0.900 CB 1.106 11 residues pruned to eliminate duplicates Z: 7 7.916 2.064 0.034 0.826 0.833 0.333 CB 1.370 7 residues pruned to eliminate duplicates Z: 13 17.384 2.029 0.449 0.920 0.917 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 9 14.191 1.999 0.382 0.904 1.000 0.875 CB 1.294 9 residues pruned to eliminate duplicates Z: 16 33.808 2.208 0.902 0.924 0.933 0.533 CB 1.564 16 residues pruned to eliminate duplicates Z: 6 12.965 1.759 1.006 0.845 1.000 1.000 N 1.221 Z: 14 22.410 1.968 0.806 0.812 1.000 0.692 CA 1.333 14 residues pruned to eliminate duplicates Z: 27 27.720 2.059 0.607 0.635 0.962 0.500 CB 1.505 27 residues pruned to eliminate duplicates Z: 23 13.287 1.842 0.735 0.582 0.773 0.682 CB 1.061 10 residues pruned to eliminate duplicates Z: 12 8.667 1.653 0.470 0.847 0.818 0.818 CB 0.976 12 residues pruned to eliminate duplicates Z: 52 33.436 1.999 0.793 0.595 0.902 0.510 CB 1.323 52 residues pruned to eliminate duplicates Z: 12 18.177 1.845 1.069 0.853 0.818 0.818 CA 1.298 12 residues pruned to eliminate duplicates Z: 13 17.177 1.888 0.546 0.784 1.000 0.500 CA 1.323 13 residues pruned to eliminate duplicates Z: 8 8.328 1.894 0.152 0.866 0.857 0.714 CA 1.232 8 residues pruned to eliminate duplicates Z: 7 12.131 1.853 0.561 0.840 1.000 0.333 N 1.277 7 residues pruned to eliminate duplicates Z: 17 12.354 1.757 0.431 0.416 0.938 0.500 CB 1.430 17 residues pruned to eliminate duplicates Z: 13 10.683 1.488 1.386 0.571 0.750 0.667 CA 1.081 13 residues pruned to eliminate duplicates Z: 44 31.253 2.051 0.536 0.553 0.977 0.558 CB 1.471 45 residues pruned to eliminate duplicates Z: 15 17.757 1.863 0.904 0.767 0.929 0.714 CA 1.137 15 residues pruned to eliminate duplicates Z: 15 19.864 1.911 0.862 0.775 0.929 0.643 CA 1.260 15 residues pruned to eliminate duplicates Z: 12 10.045 1.679 0.253 0.879 0.909 0.818 CB 1.148 12 residues pruned to eliminate duplicates Z: 15 28.934 2.120 0.662 0.893 0.929 0.571 CA 1.696 15 residues pruned to eliminate duplicates Z: 7 3.852 1.813 0.221 0.700 0.833 0.500 CB 0.710 7 residues pruned to eliminate duplicates Z: 9 13.040 1.990 0.646 0.879 0.750 0.625 CB 1.361 9 residues pruned to eliminate duplicates Z: 13 19.188 1.924 0.646 0.874 0.917 0.667 CA 1.388 13 residues pruned to eliminate duplicates Z: 13 13.083 2.048 0.014 0.867 1.000 0.833 CA 1.331 13 residues pruned to eliminate duplicates Z: 15 31.211 2.254 0.830 0.887 1.000 0.429 CB 1.458 15 residues pruned to eliminate duplicates Z: 53 31.699 2.034 0.578 0.594 0.942 0.654 CB 1.328 53 residues pruned to eliminate duplicates Z: 17 22.960 2.004 0.499 0.886 1.000 0.812 CA 1.378 Z: 16 26.451 2.071 0.604 0.874 1.000 0.733 CB 1.496 16 residues pruned to eliminate duplicates Z: 14 18.835 1.895 0.810 0.855 0.923 0.615 CA 1.217 14 residues pruned to eliminate duplicates Z: 7 6.397 1.690 0.323 0.638 0.833 0.667 CB 1.232 Z: 31 15.390 1.943 0.547 0.314 0.867 0.500 CB 1.325 30 residues pruned to eliminate duplicates Z: 15 11.580 1.914 0.385 0.492 0.929 0.571 CA 1.268 4 residues pruned to eliminate duplicates Z: 32 22.962 2.038 0.566 0.579 0.839 0.677 CA 1.427 32 residues pruned to eliminate duplicates Z: 18 14.717 1.861 0.177 0.883 1.000 0.882 CA 1.178 18 residues pruned to eliminate duplicates Z: 7 12.586 1.817 0.544 0.749 1.000 0.667 CA 1.466 Z: 11 18.719 2.027 0.795 0.933 1.000 1.000 CA 1.135 11 residues pruned to eliminate duplicates Z: 16 11.597 1.894 0.512 0.435 0.867 0.533 CA 1.290 16 residues pruned to eliminate duplicates Z: 14 20.740 2.007 0.712 0.875 1.000 0.769 CA 1.217 14 residues pruned to eliminate duplicates Z: 13 14.768 1.942 0.473 0.891 0.917 0.750 CB 1.169 13 residues pruned to eliminate duplicates Z: 7 8.809 1.618 0.800 0.824 1.000 0.500 CA 0.933 Z: 13 13.187 1.704 0.436 0.874 0.833 0.667 CB 1.358 10 residues pruned to eliminate duplicates Z: 15 21.925 1.858 0.739 0.858 1.000 0.857 CA 1.336 15 residues pruned to eliminate duplicates Z: 7 3.377 1.842 0.414 0.366 0.667 0.667 CB 0.916 7 residues pruned to eliminate duplicates Z: 14 18.177 1.879 0.879 0.783 1.000 0.615 CA 1.113 14 residues pruned to eliminate duplicates Z: 16 17.290 2.035 0.127 0.892 1.000 0.933 CA 1.399 16 residues pruned to eliminate duplicates Z: 14 13.568 1.943 0.757 0.323 0.923 0.769 CA 1.451 14 residues pruned to eliminate duplicates Z: 13 6.574 1.627 0.637 0.265 0.833 0.500 CB 1.118 Z: 15 21.827 1.963 0.727 0.846 0.929 0.500 CA 1.377 15 residues pruned to eliminate duplicates Z: 6 7.049 1.789 1.101 0.634 0.800 0.600 N 0.925 Z: 13 23.095 1.949 0.769 0.931 1.000 0.917 CB 1.352 13 residues pruned to eliminate duplicates Z: 13 6.803 1.775 0.523 0.527 0.833 0.667 CA 0.849 13 residues pruned to eliminate duplicates Z: 51 33.269 2.050 0.615 0.547 0.940 0.600 CB 1.443 51 residues pruned to eliminate duplicates Z: 11 12.515 1.836 0.406 0.897 1.000 1.000 CB 1.098 10 residues pruned to eliminate duplicates Z: 7 4.258 1.627 0.643 0.488 0.833 0.667 CB 0.789 Z: 10 13.759 1.909 0.426 0.854 0.889 0.667 CA 1.399 10 residues pruned to eliminate duplicates Z: 12 19.518 1.831 0.697 0.836 1.000 0.727 CA 1.418 11 residues pruned to eliminate duplicates Z: 9 13.393 1.957 0.357 0.873 1.000 1.000 CB 1.299 9 residues pruned to eliminate duplicates Z: 23 10.766 1.810 0.307 0.436 0.818 0.500 CA 1.268 23 residues pruned to eliminate duplicates Z: 6 11.971 2.057 0.307 0.856 1.000 0.800 CA 1.468 7 residues pruned to eliminate duplicates Z: 15 28.068 2.145 0.719 0.878 0.857 0.571 CB 1.723 15 residues pruned to eliminate duplicates Z: 14 24.373 2.111 0.600 0.886 1.000 0.846 CA 1.444 15 residues pruned to eliminate duplicates Z: 16 23.760 2.030 0.663 0.902 1.000 0.867 CA 1.296 16 residues pruned to eliminate duplicates Z: 17 19.742 2.061 0.556 0.864 0.938 0.812 CA 1.204 17 residues pruned to eliminate duplicates Z: 52 35.965 2.045 0.843 0.579 0.902 0.431 CB 1.374 52 residues pruned to eliminate duplicates Z: 11 10.493 1.725 0.541 0.840 1.000 0.700 CA 0.932 11 residues pruned to eliminate duplicates Z: 37 17.871 1.875 0.436 0.445 0.889 0.472 CA 1.317 37 residues pruned to eliminate duplicates Z: 16 23.578 2.182 0.420 0.891 1.000 0.800 CA 1.414 16 residues pruned to eliminate duplicates Z: 7 11.655 1.870 0.459 0.823 1.000 0.667 CA 1.319 7 residues pruned to eliminate duplicates Z: 13 25.926 2.009 0.848 0.921 1.000 0.750 CA 1.419 13 residues pruned to eliminate duplicates Z: 6 7.495 1.712 0.360 0.642 1.000 0.800 CB 1.261 6 residues pruned to eliminate duplicates Z: 12 15.435 1.929 0.819 0.854 0.818 0.545 CA 1.197 12 residues pruned to eliminate duplicates Z: 14 13.776 1.865 0.489 0.840 0.923 0.692 CA 1.112 14 residues pruned to eliminate duplicates Z: 25 17.868 1.858 0.651 0.584 0.875 0.667 CA 1.254 13 residues pruned to eliminate duplicates Z: 7 8.021 1.791 0.580 0.815 0.833 0.500 CB 1.057 Z: 10 6.773 1.738 0.491 0.281 0.889 0.556 CB 1.256 10 residues pruned to eliminate duplicates Z: 11 3.595 1.667 0.145 0.202 0.700 0.500 CA 1.213 Z: 11 19.126 1.779 1.039 0.897 1.000 1.000 CA 1.193 11 residues pruned to eliminate duplicates Z: 13 18.522 1.859 0.487 0.803 1.000 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 15 15.715 2.085 0.230 0.828 0.929 0.714 CB 1.329 15 residues pruned to eliminate duplicates Z: 9 13.478 1.990 0.780 0.894 1.000 1.000 CB 0.965 9 residues pruned to eliminate duplicates Z: 7 7.480 1.897 -0.025 0.788 1.000 0.667 CB 1.282 7 residues pruned to eliminate duplicates Z: 11 17.809 2.018 0.954 0.880 0.800 0.400 CA 1.294 11 residues pruned to eliminate duplicates Z: 16 33.966 2.233 0.931 0.897 1.000 0.667 CA 1.457 16 residues pruned to eliminate duplicates Z: 14 18.495 1.765 0.685 0.853 1.000 0.769 CA 1.275 14 residues pruned to eliminate duplicates Z: 16 30.649 2.230 0.740 0.903 1.000 0.867 CA 1.454 16 residues pruned to eliminate duplicates Z: 17 13.646 1.834 0.519 0.569 1.000 0.688 CA 1.146 17 residues pruned to eliminate duplicates Z: 16 15.995 1.890 0.792 0.484 0.933 0.467 CB 1.328 14 residues pruned to eliminate duplicates Z: 6 5.318 1.701 0.786 0.666 0.800 0.200 CA 0.839 6 residues pruned to eliminate duplicates Z: 6 4.180 1.768 0.068 0.589 0.800 0.600 CB 1.136 Z: 11 10.669 1.786 0.206 0.925 1.000 0.900 CB 1.100 11 residues pruned to eliminate duplicates Z: 7 13.692 1.931 1.020 0.616 1.000 0.667 CA 1.284 Z: 14 14.559 1.977 0.706 0.368 1.000 0.846 CB 1.378 Z: 10 8.593 1.731 0.585 0.406 0.889 0.667 CA 1.296 13 residues pruned to eliminate duplicates Z: 12 10.164 1.739 0.117 0.870 1.000 0.727 CB 1.151 12 residues pruned to eliminate duplicates Z: 13 9.576 1.787 0.222 0.854 0.917 0.667 CB 1.020 13 residues pruned to eliminate duplicates Z: 11 13.213 1.773 0.695 0.899 0.900 0.400 CB 1.104 12 residues pruned to eliminate duplicates Z: 9 4.485 1.476 0.580 0.241 0.750 0.500 CB 1.223 Z: 13 26.026 1.997 1.018 0.773 1.000 0.583 CB 1.464 13 residues pruned to eliminate duplicates Z: 12 15.739 1.805 0.481 0.912 1.000 0.818 CA 1.257 12 residues pruned to eliminate duplicates Z: 50 33.703 2.021 0.638 0.542 0.939 0.633 CB 1.486 52 residues pruned to eliminate duplicates Z: 22 8.877 1.674 0.570 0.309 0.952 0.381 CB 0.957 9 residues pruned to eliminate duplicates Z: 10 10.969 1.821 0.807 0.851 1.000 0.667 CA 0.822 10 residues pruned to eliminate duplicates Z: 36 18.753 1.793 0.616 0.426 0.914 0.600 CA 1.292 37 residues pruned to eliminate duplicates Z: 17 31.630 2.106 0.895 0.898 1.000 0.625 CB 1.418 17 residues pruned to eliminate duplicates Z: 36 27.088 2.033 0.545 0.545 0.971 0.629 CA 1.436 18 residues pruned to eliminate duplicates Z: 13 12.587 1.786 0.308 0.909 1.000 0.917 CA 1.104 13 residues pruned to eliminate duplicates Z: 11 13.155 1.885 0.411 0.906 0.800 0.600 CA 1.391 11 residues pruned to eliminate duplicates Z: 14 24.249 1.954 0.802 0.917 1.000 0.692 CB 1.347 14 residues pruned to eliminate duplicates Z: 18 21.326 1.937 0.556 0.880 0.941 0.765 CA 1.322 18 residues pruned to eliminate duplicates Z: 7 12.374 1.877 0.541 0.821 1.000 0.833 CA 1.321 6 residues pruned to eliminate duplicates Z: 12 12.881 1.853 0.343 0.840 0.909 0.636 CA 1.281 12 residues pruned to eliminate duplicates Z: 13 9.243 1.847 0.309 0.568 0.917 0.750 CB 1.127 14 residues pruned to eliminate duplicates Z: 23 10.926 1.578 0.400 0.455 0.909 0.591 CB 1.215 Z: 13 10.072 1.990 0.297 0.337 0.917 0.583 CB 1.468 13 residues pruned to eliminate duplicates Z: 13 17.646 1.887 0.451 0.877 1.000 0.750 CA 1.351 13 residues pruned to eliminate duplicates Z: 9 8.068 1.799 0.315 0.733 0.750 0.500 CA 1.304 9 residues pruned to eliminate duplicates Z: 7 8.755 1.908 0.349 0.819 0.833 0.667 CA 1.264 7 residues pruned to eliminate duplicates Z: 14 24.201 2.096 0.797 0.900 0.846 0.538 CA 1.504 14 residues pruned to eliminate duplicates Z: 14 25.260 2.103 0.784 0.859 0.923 0.769 CB 1.488 15 residues pruned to eliminate duplicates Z: 6 7.488 1.801 0.874 0.849 1.000 0.600 CB 0.736 6 residues pruned to eliminate duplicates Z: 14 17.011 1.860 0.796 0.823 0.923 0.769 CA 1.157 16 residues pruned to eliminate duplicates Z: 7 3.179 1.596 -0.159 0.433 0.833 0.333 CA 1.243 7 residues pruned to eliminate duplicates Z: 22 25.840 2.062 0.627 0.649 0.952 0.571 CA 1.536 22 residues pruned to eliminate duplicates Z: 7 7.831 1.749 0.527 0.698 1.000 0.667 CA 1.000 Z: 13 16.631 1.954 0.501 0.823 1.000 0.750 CA 1.237 13 residues pruned to eliminate duplicates Z: 6 8.187 1.843 0.508 0.667 0.800 0.800 CB 1.411 Z: 10 17.223 1.883 0.863 0.903 1.000 0.778 CA 1.167 10 residues pruned to eliminate duplicates Z: 12 21.609 2.148 0.640 0.869 1.000 0.727 CB 1.351 12 residues pruned to eliminate duplicates Z: 17 22.119 1.941 0.393 0.935 1.000 0.812 CA 1.425 17 residues pruned to eliminate duplicates Z: 10 5.376 1.695 0.595 0.408 0.667 0.556 CB 1.095 Z: 38 19.678 1.943 0.640 0.498 0.865 0.486 CB 1.176 38 residues pruned to eliminate duplicates Z: 20 19.194 1.962 0.446 0.703 0.947 0.737 CB 1.362 20 residues pruned to eliminate duplicates Z: 6 7.639 1.686 0.501 0.748 1.000 0.800 CB 1.082 6 residues pruned to eliminate duplicates Z: 10 6.596 1.603 0.436 0.412 0.889 0.667 CA 1.178 10 residues pruned to eliminate duplicates Z: 28 25.243 2.067 0.603 0.616 0.926 0.667 CB 1.419 28 residues pruned to eliminate duplicates Z: 26 20.610 2.001 0.358 0.626 0.960 0.520 CA 1.403 26 residues pruned to eliminate duplicates Z: 13 16.224 2.006 0.387 0.861 1.000 0.917 CA 1.236 13 residues pruned to eliminate duplicates Z: 8 8.138 1.821 0.426 0.869 0.714 0.714 CA 1.212 8 residues pruned to eliminate duplicates Z: 15 34.266 2.259 1.032 0.914 1.000 0.571 CA 1.411 15 residues pruned to eliminate duplicates Z: 18 25.815 1.885 0.594 0.912 1.000 0.765 CA 1.476 18 residues pruned to eliminate duplicates Z: 10 7.491 1.657 0.459 0.420 1.000 0.667 CA 1.123 10 residues pruned to eliminate duplicates Z: 15 31.081 2.208 1.023 0.862 1.000 0.857 CA 1.366 15 residues pruned to eliminate duplicates Z: 54 33.987 2.007 0.601 0.567 0.943 0.566 CA 1.442 50 residues pruned to eliminate duplicates Z: 7 5.831 1.599 0.458 0.674 0.833 0.500 CA 1.043 10 residues pruned to eliminate duplicates Z: 7 2.720 1.567 -0.057 0.652 0.667 0.667 O 0.979 Z: 21 10.066 1.854 0.345 0.333 0.800 0.500 CB 1.354 21 residues pruned to eliminate duplicates Z: 11 27.514 2.225 0.763 0.828 0.900 0.400 CB 1.856 11 residues pruned to eliminate duplicates Z: 14 6.268 1.550 0.494 0.337 0.769 0.385 CB 1.166 14 residues pruned to eliminate duplicates Z: 19 18.504 1.889 0.384 0.873 0.889 0.611 CA 1.367 19 residues pruned to eliminate duplicates Z: 39 34.957 2.076 0.644 0.649 0.947 0.579 CB 1.526 27 residues pruned to eliminate duplicates Z: 13 14.805 1.808 0.450 0.902 1.000 0.667 CB 1.163 13 residues pruned to eliminate duplicates Z: 12 14.256 1.939 0.498 0.842 0.909 0.727 CA 1.213 12 residues pruned to eliminate duplicates Z: 14 16.838 1.757 0.576 0.851 0.923 0.385 CA 1.352 14 residues pruned to eliminate duplicates Z: 38 22.397 2.003 0.535 0.469 0.892 0.649 CB 1.386 38 residues pruned to eliminate duplicates Z: 13 16.787 1.918 0.748 0.795 0.917 0.500 CA 1.217 13 residues pruned to eliminate duplicates Z: 13 15.773 2.078 0.457 0.814 0.917 0.667 CB 1.249 13 residues pruned to eliminate duplicates Z: 16 29.386 2.059 0.825 0.863 0.933 0.467 CA 1.587 14 residues pruned to eliminate duplicates Z: 6 8.110 1.880 0.041 0.871 1.000 0.800 CA 1.352 6 residues pruned to eliminate duplicates Z: 9 12.361 1.856 0.372 0.850 1.000 1.000 CB 1.271 8 residues pruned to eliminate duplicates Z: 52 25.512 1.949 0.450 0.569 0.941 0.706 CA 1.256 53 residues pruned to eliminate duplicates Z: 6 3.905 1.666 -0.265 0.598 1.000 0.600 N 1.300 Z: 50 38.972 2.065 0.766 0.625 0.980 0.510 CB 1.386 50 residues pruned to eliminate duplicates Z: 11 12.893 1.752 0.581 0.872 1.000 0.500 CA 1.073 11 residues pruned to eliminate duplicates Z: 11 15.066 1.960 0.414 0.850 0.900 0.800 CA 1.414 11 residues pruned to eliminate duplicates Z: 35 14.883 1.795 0.465 0.440 0.912 0.647 CA 1.133 34 residues pruned to eliminate duplicates Z: 8 7.132 1.743 0.516 0.353 1.000 0.571 CB 1.195 8 residues pruned to eliminate duplicates Z: 8 5.562 1.399 0.204 0.676 1.000 0.714 CA 1.061 8 residues pruned to eliminate duplicates Z: 18 10.607 1.774 0.503 0.384 0.882 0.412 CA 1.236 18 residues pruned to eliminate duplicates Z: 13 12.702 2.058 0.030 0.876 1.000 0.917 CA 1.258 13 residues pruned to eliminate duplicates Z: 32 29.581 2.096 0.695 0.551 0.968 0.419 CB 1.471 32 residues pruned to eliminate duplicates Z: 16 29.969 2.008 0.673 0.919 1.000 0.867 CB 1.623 16 residues pruned to eliminate duplicates Z: 20 12.400 1.745 0.579 0.482 0.842 0.526 CA 1.249 20 residues pruned to eliminate duplicates Z: 45 28.024 1.977 0.484 0.560 0.932 0.659 CB 1.459 40 residues pruned to eliminate duplicates Z: 65 25.655 1.864 0.559 0.426 0.891 0.453 CB 1.338 88 residues pruned to eliminate duplicates Z: 62 35.159 1.984 0.601 0.612 0.918 0.525 CB 1.387 52 residues pruned to eliminate duplicates Z: 9 11.697 1.939 0.241 0.862 1.000 0.625 CB 1.262 10 residues pruned to eliminate duplicates Z: 6 5.406 1.592 0.105 0.806 1.000 0.600 CB 1.052 6 residues pruned to eliminate duplicates Z: 6 12.335 1.774 1.122 0.703 1.000 0.600 CA 1.217 6 residues pruned to eliminate duplicates Z: 11 17.376 2.015 0.535 0.902 1.000 0.900 CA 1.268 11 residues pruned to eliminate duplicates Z: 14 9.948 1.620 0.347 0.838 1.000 0.769 CB 0.944 14 residues pruned to eliminate duplicates Z: 29 27.524 2.085 0.731 0.610 0.929 0.607 CA 1.398 29 residues pruned to eliminate duplicates Z: 41 24.634 1.963 0.555 0.503 0.900 0.550 CB 1.414 41 residues pruned to eliminate duplicates Z: 11 10.124 2.004 0.171 0.578 0.900 0.500 CB 1.407 11 residues pruned to eliminate duplicates Z: 13 16.984 1.914 0.745 0.860 0.750 0.667 CB 1.440 13 residues pruned to eliminate duplicates Z: 12 12.162 1.724 0.194 0.899 1.000 1.000 CA 1.273 12 residues pruned to eliminate duplicates Z: 6 5.514 1.436 0.430 0.842 1.000 0.800 CA 0.895 Z: 12 16.506 2.088 0.273 0.898 1.000 0.909 CA 1.340 12 residues pruned to eliminate duplicates Z: 13 14.590 1.881 0.430 0.897 1.000 0.667 CA 1.120 13 residues pruned to eliminate duplicates Z: 14 17.140 1.911 0.252 0.918 1.000 0.846 CB 1.401 14 residues pruned to eliminate duplicates Z: 6 3.832 1.743 -0.097 0.661 0.800 0.800 CB 1.173 Z: 22 8.250 1.519 0.523 0.390 0.810 0.571 CA 1.080 7 residues pruned to eliminate duplicates Z: 7 6.043 2.016 -0.210 0.876 1.000 0.667 CB 1.126 7 residues pruned to eliminate duplicates Z: 10 8.690 1.748 0.440 0.771 1.000 0.778 CB 0.906 10 residues pruned to eliminate duplicates Z: 11 18.183 1.954 0.679 0.910 1.000 0.600 CB 1.243 11 residues pruned to eliminate duplicates Z: 14 16.661 1.875 0.497 0.848 1.000 0.846 CA 1.221 14 residues pruned to eliminate duplicates Z: 19 15.362 1.865 0.392 0.526 0.889 0.611 CB 1.531 21 residues pruned to eliminate duplicates Z: 8 7.160 1.958 0.461 0.418 0.857 0.714 CB 1.202 8 residues pruned to eliminate duplicates Z: 6 5.901 1.918 0.264 0.747 0.800 0.600 CB 1.091 Z: 12 17.103 1.712 0.737 0.911 1.000 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 10 13.095 1.656 0.867 0.554 1.000 0.667 CA 1.340 8 residues pruned to eliminate duplicates Z: 17 10.201 1.781 0.841 0.514 0.812 0.500 CB 0.944 17 residues pruned to eliminate duplicates Z: 7 6.674 1.688 0.939 0.603 0.833 0.667 CA 0.906 Z: 12 13.723 1.955 0.457 0.852 1.000 0.909 CA 1.074 12 residues pruned to eliminate duplicates Z: 12 12.007 1.857 0.327 0.849 0.818 0.818 CB 1.331 12 residues pruned to eliminate duplicates Z: 21 11.083 1.905 0.353 0.469 0.850 0.600 CB 1.168 21 residues pruned to eliminate duplicates Z: 10 16.952 2.071 0.598 0.857 1.000 0.667 CB 1.258 10 residues pruned to eliminate duplicates Z: 15 16.648 1.969 0.379 0.787 0.929 0.786 CA 1.371 15 residues pruned to eliminate duplicates Z: 12 20.470 2.006 0.636 0.856 0.909 0.182 CB 1.525 12 residues pruned to eliminate duplicates Z: 15 11.184 1.968 0.449 0.346 0.929 0.714 CB 1.334 13 residues pruned to eliminate duplicates Z: 14 17.738 1.712 0.808 0.908 1.000 0.462 CA 1.129 14 residues pruned to eliminate duplicates Z: 6 3.979 1.520 0.168 0.781 0.800 0.600 CB 0.978 6 residues pruned to eliminate duplicates Z: 7 4.949 1.790 0.744 0.649 0.833 0.833 CB 0.676 Z: 14 17.359 1.884 0.560 0.840 1.000 0.769 CB 1.223 14 residues pruned to eliminate duplicates Z: 16 17.803 1.776 0.869 0.740 1.000 0.600 CB 1.116 16 residues pruned to eliminate duplicates Z: 12 23.101 2.036 0.608 0.920 1.000 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 22 16.701 1.971 0.464 0.593 0.857 0.667 CA 1.347 22 residues pruned to eliminate duplicates Z: 15 13.686 1.780 0.376 0.809 0.929 0.643 CA 1.229 15 residues pruned to eliminate duplicates Z: 9 5.723 1.724 0.481 0.366 0.750 0.375 CB 1.221 6 residues pruned to eliminate duplicates Z: 12 12.716 1.635 0.436 0.896 1.000 0.636 CB 1.171 12 residues pruned to eliminate duplicates Z: 6 8.497 1.866 0.318 0.860 1.000 0.800 CA 1.136 Z: 9 2.146 1.552 0.512 0.354 0.625 0.375 CB 0.606 6 residues pruned to eliminate duplicates Z: 8 9.544 1.995 0.277 0.819 0.857 0.571 CB 1.253 8 residues pruned to eliminate duplicates Z: 12 18.195 1.805 0.779 0.917 1.000 0.364 CB 1.205 11 residues pruned to eliminate duplicates Z: 14 16.430 1.994 0.627 0.882 0.846 0.692 CA 1.201 14 residues pruned to eliminate duplicates Z: 10 8.800 1.847 0.322 0.542 1.000 0.444 CB 1.153 10 residues pruned to eliminate duplicates Z: 13 16.410 2.092 0.189 0.884 1.000 0.833 CB 1.376 13 residues pruned to eliminate duplicates Z: 19 13.882 1.796 0.576 0.586 0.833 0.611 CB 1.278 19 residues pruned to eliminate duplicates Z: 15 15.478 1.965 0.663 0.389 1.000 0.714 CB 1.423 16 residues pruned to eliminate duplicates Z: 18 12.598 1.897 0.570 0.338 0.882 0.529 CB 1.387 18 residues pruned to eliminate duplicates Z: 18 12.836 1.926 0.462 0.468 0.882 0.588 CA 1.295 18 residues pruned to eliminate duplicates Z: 13 18.188 1.865 0.835 0.878 0.917 0.750 CA 1.215 13 residues pruned to eliminate duplicates Z: 12 8.712 1.786 0.394 0.875 0.909 0.636 CB 0.844 Z: 6 3.791 1.542 0.334 0.499 0.800 0.600 O 1.032 6 residues pruned to eliminate duplicates Z: 42 23.595 1.959 0.513 0.472 0.902 0.488 CB 1.416 42 residues pruned to eliminate duplicates Z: 16 19.722 1.836 0.874 0.776 1.000 0.600 CA 1.160 14 residues pruned to eliminate duplicates Z: 14 19.041 1.930 0.534 0.898 1.000 0.692 CB 1.276 14 residues pruned to eliminate duplicates Z: 17 17.219 1.902 0.788 0.487 0.875 0.625 CA 1.466 16 residues pruned to eliminate duplicates Z: 26 19.055 2.004 0.559 0.524 0.840 0.600 CA 1.417 26 residues pruned to eliminate duplicates Z: 11 14.632 1.809 0.777 0.829 0.900 0.600 CA 1.203 11 residues pruned to eliminate duplicates Z: 15 13.258 1.960 0.266 0.677 1.000 0.571 CA 1.213 15 residues pruned to eliminate duplicates Z: 16 20.435 1.990 0.870 0.513 0.933 0.667 CA 1.500 17 residues pruned to eliminate duplicates Z: 10 9.786 1.848 0.831 0.368 0.889 0.778 CA 1.250 10 residues pruned to eliminate duplicates Z: 7 8.470 1.801 0.238 0.898 1.000 1.000 CA 1.109 7 residues pruned to eliminate duplicates Z: 7 3.019 1.477 0.182 0.346 1.000 0.500 CB 0.834 7 residues pruned to eliminate duplicates Z: 7 3.005 1.508 0.134 0.503 0.667 0.333 CB 1.073 Z: 13 17.025 1.815 0.576 0.918 1.000 0.750 CA 1.212 13 residues pruned to eliminate duplicates Z: 14 23.745 1.903 0.911 0.912 1.000 0.615 CB 1.283 14 residues pruned to eliminate duplicates Z: 18 26.338 1.882 0.842 0.903 0.941 0.765 CA 1.396 18 residues pruned to eliminate duplicates Z: 12 12.185 1.675 0.732 0.889 1.000 0.636 CB 0.912 12 residues pruned to eliminate duplicates Z: 10 8.505 1.758 0.414 0.611 0.889 0.667 CA 1.154 9 residues pruned to eliminate duplicates Z: 11 15.413 1.762 0.830 0.870 0.900 0.800 CA 1.226 11 residues pruned to eliminate duplicates Z: 12 13.199 1.677 0.462 0.925 1.000 1.000 CB 1.138 12 residues pruned to eliminate duplicates Z: 14 12.712 1.921 0.503 0.448 0.923 0.615 CA 1.395 14 residues pruned to eliminate duplicates Z: 17 29.484 2.119 0.995 0.881 1.000 0.750 CA 1.263 17 residues pruned to eliminate duplicates Z: 13 8.643 1.696 0.290 0.924 1.000 0.750 CB 0.801 12 residues pruned to eliminate duplicates Z: 40 31.420 2.038 0.645 0.635 0.923 0.564 CB 1.432 45 residues pruned to eliminate duplicates Z: 12 3.775 1.473 0.048 0.362 0.818 0.455 CB 1.046 6 residues pruned to eliminate duplicates Z: 8 11.208 1.973 0.174 0.821 1.000 1.000 CA 1.385 8 residues pruned to eliminate duplicates Z: 22 19.931 1.996 0.501 0.700 0.952 0.714 CB 1.270 22 residues pruned to eliminate duplicates Z: 12 14.080 1.867 0.180 0.891 1.000 0.909 CA 1.385 12 residues pruned to eliminate duplicates Z: 43 22.421 1.968 0.466 0.499 0.881 0.595 CB 1.362 43 residues pruned to eliminate duplicates Z: 41 30.199 2.049 0.626 0.602 0.900 0.550 CB 1.445 40 residues pruned to eliminate duplicates Z: 16 30.608 2.138 0.618 0.874 1.000 0.733 CA 1.663 16 residues pruned to eliminate duplicates Z: 28 19.845 1.977 0.462 0.519 0.889 0.630 CA 1.459 28 residues pruned to eliminate duplicates Z: 7 7.720 1.659 0.489 0.847 1.000 0.833 CB 0.947 7 residues pruned to eliminate duplicates Z: 27 21.963 1.835 0.645 0.533 0.962 0.538 CB 1.437 13 residues pruned to eliminate duplicates Z: 16 30.009 2.076 0.792 0.860 1.000 0.533 CA 1.531 16 residues pruned to eliminate duplicates Z: 10 12.691 1.857 0.200 0.897 1.000 1.000 CB 1.358 11 residues pruned to eliminate duplicates Z: 8 6.302 1.855 0.159 0.492 0.857 0.571 CA 1.303 8 residues pruned to eliminate duplicates Z: 14 8.734 1.790 0.564 0.335 0.846 0.615 CA 1.225 14 residues pruned to eliminate duplicates Z: 15 13.484 1.959 0.460 0.447 0.929 0.643 CB 1.433 15 residues pruned to eliminate duplicates Z: 18 14.595 1.943 0.650 0.578 0.941 0.353 CB 1.088 18 residues pruned to eliminate duplicates Z: 11 10.576 1.844 0.663 0.812 0.900 0.600 CB 0.924 11 residues pruned to eliminate duplicates Z: 12 23.025 2.017 0.761 0.938 1.000 0.727 CA 1.360 12 residues pruned to eliminate duplicates Z: 12 19.929 1.862 0.686 0.850 1.000 0.818 CA 1.417 12 residues pruned to eliminate duplicates Z: 13 11.175 1.743 0.336 0.854 1.000 0.583 CB 1.023 13 residues pruned to eliminate duplicates Z: 64 25.812 1.936 0.429 0.449 0.921 0.556 CB 1.345 89 residues pruned to eliminate duplicates Z: 12 24.281 1.937 0.798 0.910 1.000 0.455 CA 1.490 12 residues pruned to eliminate duplicates Z: 29 21.701 1.882 0.691 0.541 0.964 0.607 CA 1.284 29 residues pruned to eliminate duplicates Z: 10 8.022 1.664 0.581 0.461 0.778 0.778 O 1.360 10 residues pruned to eliminate duplicates Z: 34 27.819 2.026 0.784 0.531 0.939 0.485 CA 1.384 34 residues pruned to eliminate duplicates 7 1.827 1.756 0.386 0.565 0.833 0.500 CB 0.345 ? Z: 16 8.361 2.013 0.069 0.277 0.867 0.533 CB 1.489 16 residues pruned to eliminate duplicates Z: 20 7.638 1.682 0.148 0.402 0.842 0.526 CB 1.194 23 residues pruned to eliminate duplicates Z: 28 22.954 1.996 0.612 0.465 0.926 0.556 CA 1.537 28 residues pruned to eliminate duplicates Z: 11 11.398 1.831 0.666 0.814 0.900 0.900 CA 0.999 11 residues pruned to eliminate duplicates Z: 12 15.900 1.890 0.425 0.855 0.909 0.182 CA 1.446 12 residues pruned to eliminate duplicates Z: 36 22.194 1.879 0.602 0.581 0.886 0.571 CA 1.302 36 residues pruned to eliminate duplicates Z: 15 22.599 2.082 0.807 0.848 1.000 0.786 CA 1.191 15 residues pruned to eliminate duplicates Z: 13 20.150 1.993 0.711 0.827 1.000 0.750 CA 1.285 13 residues pruned to eliminate duplicates Z: 37 20.605 1.957 0.464 0.445 0.917 0.556 CB 1.384 37 residues pruned to eliminate duplicates Z: 18 25.619 1.924 0.661 0.932 1.000 0.765 CA 1.358 18 residues pruned to eliminate duplicates Z: 30 29.443 2.113 0.815 0.619 0.931 0.621 CB 1.368 30 residues pruned to eliminate duplicates Z: 26 14.078 1.855 0.359 0.594 0.880 0.640 CA 1.160 18 residues pruned to eliminate duplicates Z: 19 25.654 1.973 0.789 0.730 1.000 0.556 CA 1.393 19 residues pruned to eliminate duplicates Z: 16 8.380 1.608 0.375 0.424 0.800 0.600 CA 1.324 8 residues pruned to eliminate duplicates Z: 13 14.079 1.781 0.407 0.874 1.000 0.917 CB 1.181 13 residues pruned to eliminate duplicates Z: 10 7.808 1.834 0.475 0.810 0.778 0.444 CA 0.944 10 residues pruned to eliminate duplicates Z: 16 17.228 2.025 0.499 0.762 0.933 0.733 CA 1.244 16 residues pruned to eliminate duplicates Z: 7 3.294 1.730 0.668 0.266 0.667 0.500 CA 0.913 7 residues pruned to eliminate duplicates Z: 13 9.561 1.688 0.710 0.924 0.917 0.667 CB 0.732 13 residues pruned to eliminate duplicates Z: 16 18.864 2.062 0.285 0.844 1.000 0.867 CA 1.368 16 residues pruned to eliminate duplicates Z: 13 9.409 1.787 0.385 0.399 0.833 0.583 CA 1.465 14 residues pruned to eliminate duplicates Z: 7 8.409 1.676 0.223 0.863 1.000 0.833 CA 1.228 13 residues pruned to eliminate duplicates Z: 6 7.367 1.766 0.696 0.622 0.800 0.400 CB 1.225 6 residues pruned to eliminate duplicates Z: 22 7.534 1.638 0.226 0.350 0.857 0.476 CB 1.124 20 residues pruned to eliminate duplicates Z: 33 31.668 2.058 0.846 0.544 0.969 0.531 CA 1.456 33 residues pruned to eliminate duplicates Z: 29 25.997 1.973 0.676 0.590 1.000 0.714 CA 1.363 29 residues pruned to eliminate duplicates Z: 6 4.124 1.518 0.244 0.295 1.000 0.800 CA 1.229 6 residues pruned to eliminate duplicates Z: 11 16.425 1.758 0.592 0.887 1.000 0.700 CB 1.338 11 residues pruned to eliminate duplicates Z: 9 5.409 1.624 0.273 0.354 0.875 0.625 CB 1.238 9 residues pruned to eliminate duplicates Z: 16 20.631 1.962 0.491 0.911 1.000 0.867 CA 1.290 16 residues pruned to eliminate duplicates Z: 11 4.756 1.637 0.419 0.298 0.800 0.200 CB 1.014 11 residues pruned to eliminate duplicates Z: 12 13.612 1.772 0.444 0.908 1.000 0.727 CA 1.139 14 residues pruned to eliminate duplicates Z: 14 13.954 2.000 0.585 0.361 1.000 0.769 CB 1.417 14 residues pruned to eliminate duplicates Z: 14 19.495 1.921 0.598 0.878 0.923 0.692 CA 1.385 15 residues pruned to eliminate duplicates Z: 14 24.382 2.097 0.689 0.865 0.923 0.462 CA 1.515 14 residues pruned to eliminate duplicates Z: 7 13.509 1.790 1.181 0.908 1.000 1.000 CA 1.004 7 residues pruned to eliminate duplicates Z: 12 10.647 1.778 0.264 0.917 1.000 0.909 CB 1.008 12 residues pruned to eliminate duplicates Z: 34 20.075 1.951 0.562 0.434 0.879 0.576 CB 1.398 33 residues pruned to eliminate duplicates Z: 6 5.857 1.602 0.009 0.844 1.000 1.000 N 1.206 Z: 11 20.623 2.153 0.729 0.860 0.900 0.500 CA 1.431 Z: 10 14.497 1.782 1.076 0.867 0.889 0.556 CB 1.075 10 residues pruned to eliminate duplicates Z: 43 35.279 2.046 0.646 0.654 0.952 0.619 CB 1.470 44 residues pruned to eliminate duplicates Z: 15 6.656 1.798 0.339 0.287 0.786 0.429 CA 1.194 15 residues pruned to eliminate duplicates Z: 9 3.279 1.540 0.691 0.361 0.750 0.375 CA 0.689 9 residues pruned to eliminate duplicates Z: 16 19.307 2.014 0.622 0.883 0.867 0.467 CA 1.274 16 residues pruned to eliminate duplicates Z: 31 17.539 1.884 0.447 0.461 0.933 0.600 CA 1.310 31 residues pruned to eliminate duplicates Z: 15 16.688 1.756 0.644 0.835 0.929 0.929 CA 1.246 15 residues pruned to eliminate duplicates Z: 16 14.142 1.931 0.595 0.639 0.867 0.667 CB 1.201 16 residues pruned to eliminate duplicates Z: 23 14.657 1.798 0.565 0.551 0.818 0.727 CB 1.291 23 residues pruned to eliminate duplicates Z: 30 23.573 2.103 0.579 0.461 0.931 0.517 CB 1.473 30 residues pruned to eliminate duplicates Z: 13 16.535 1.788 0.601 0.915 1.000 0.667 CA 1.178 13 residues pruned to eliminate duplicates Z: 11 5.457 1.728 0.177 0.493 0.800 0.500 CB 1.068 Z: 43 19.647 1.924 0.374 0.446 0.881 0.524 CA 1.375 43 residues pruned to eliminate duplicates Z: 8 6.242 1.559 0.489 0.572 0.714 0.571 N 1.327 Z: 13 17.332 1.823 0.787 0.863 1.000 0.917 CA 1.127 13 residues pruned to eliminate duplicates Z: 6 7.104 1.883 0.426 0.838 1.000 0.600 CB 0.884 6 residues pruned to eliminate duplicates Z: 11 12.732 1.895 0.594 0.460 1.000 0.800 CB 1.388 11 residues pruned to eliminate duplicates Z: 12 9.085 1.681 0.428 0.869 1.000 0.636 CB 0.833 12 residues pruned to eliminate duplicates Z: 30 22.196 1.926 0.634 0.498 0.862 0.345 CB 1.523 30 residues pruned to eliminate duplicates Z: 10 11.494 1.809 0.520 0.887 0.889 0.333 CB 1.130 9 residues pruned to eliminate duplicates Z: 11 17.460 1.875 0.670 0.877 0.900 0.500 CB 1.424 11 residues pruned to eliminate duplicates Z: 9 3.705 1.615 0.140 0.462 0.625 0.500 CB 1.184 7 residues pruned to eliminate duplicates Z: 6 2.043 1.500 0.280 0.279 0.600 0.400 CB 1.018 6 residues pruned to eliminate duplicates Z: 23 17.306 1.868 0.639 0.568 0.864 0.364 CA 1.306 23 residues pruned to eliminate duplicates Z: 13 25.559 2.039 0.714 0.882 1.000 0.750 CB 1.529 13 residues pruned to eliminate duplicates Z: 24 16.531 1.905 0.296 0.555 0.913 0.435 CB 1.449 24 residues pruned to eliminate duplicates Z: 8 2.124 1.430 0.519 0.328 0.571 0.429 C 0.780 Z: 10 13.534 2.138 0.044 0.922 1.000 1.000 CA 1.421 10 residues pruned to eliminate duplicates Z: 8 7.299 1.747 0.495 0.493 0.857 0.714 CA 1.242 Z: 13 14.894 1.949 0.240 0.787 1.000 0.500 CA 1.382 13 residues pruned to eliminate duplicates Z: 6 2.044 1.499 -0.205 0.736 0.800 0.600 CB 0.776 6 residues pruned to eliminate duplicates Z: 12 10.399 1.711 0.341 0.879 0.909 0.636 CB 1.091 12 residues pruned to eliminate duplicates Z: 56 28.715 1.932 0.634 0.431 0.945 0.600 CB 1.395 86 residues pruned to eliminate duplicates Z: 6 7.327 1.815 -0.005 0.803 1.000 0.800 N 1.393 Z: 13 11.263 1.823 0.824 0.424 0.833 0.833 CA 1.270 12 residues pruned to eliminate duplicates Z: 6 4.750 1.524 0.264 0.345 1.000 0.600 O 1.305 Z: 11 4.818 1.758 0.515 0.295 0.600 0.400 CB 1.200 Z: 13 25.962 1.976 0.917 0.911 1.000 0.583 CB 1.401 13 residues pruned to eliminate duplicates Z: 15 12.815 1.963 0.452 0.328 1.000 0.643 CB 1.450 16 residues pruned to eliminate duplicates Z: 19 12.434 1.741 0.593 0.599 0.889 0.444 CB 1.081 23 residues pruned to eliminate duplicates Z: 19 15.338 1.871 0.413 0.748 0.944 0.833 CA 1.160 19 residues pruned to eliminate duplicates Z: 9 9.924 1.625 0.594 0.660 1.000 0.750 CA 1.168 Z: 10 8.024 1.658 0.616 0.415 0.889 0.444 CB 1.227 8 residues pruned to eliminate duplicates Z: 11 12.685 1.802 0.883 0.920 0.900 0.500 CB 0.925 11 residues pruned to eliminate duplicates Z: 28 17.250 1.920 0.418 0.581 0.852 0.667 CA 1.323 28 residues pruned to eliminate duplicates Z: 11 12.072 1.699 0.444 0.906 1.000 0.800 CB 1.107 9 residues pruned to eliminate duplicates Z: 7 5.285 1.713 0.346 0.378 0.833 0.667 N 1.279 7 residues pruned to eliminate duplicates Z: 28 18.225 1.966 0.563 0.504 0.889 0.741 CA 1.279 28 residues pruned to eliminate duplicates Z: 31 19.377 1.990 0.550 0.521 0.833 0.600 CB 1.347 31 residues pruned to eliminate duplicates Z: 8 4.616 1.551 0.553 0.464 0.714 0.571 CA 1.052 8 residues pruned to eliminate duplicates Z: 8 10.779 2.011 0.150 0.849 1.000 0.857 CB 1.306 7 residues pruned to eliminate duplicates Z: 33 24.483 1.994 0.632 0.590 0.906 0.625 CA 1.346 33 residues pruned to eliminate duplicates Z: 16 27.705 2.149 0.809 0.915 1.000 0.867 CA 1.301 Z: 14 16.574 1.827 0.633 0.849 1.000 0.846 CA 1.142 14 residues pruned to eliminate duplicates Z: 36 22.304 2.009 0.485 0.468 0.914 0.600 CB 1.428 36 residues pruned to eliminate duplicates Z: 6 4.735 1.591 1.132 0.492 0.600 0.400 CB 1.049 6 residues pruned to eliminate duplicates Z: 14 12.817 1.863 0.683 0.482 0.923 0.692 CA 1.250 14 residues pruned to eliminate duplicates Z: 8 5.818 1.588 0.249 0.813 1.000 0.857 CA 0.844 5 residues pruned to eliminate duplicates Z: 7 11.317 2.121 0.117 0.856 1.000 0.833 CB 1.438 7 residues pruned to eliminate duplicates Z: 9 9.328 1.802 0.520 0.609 1.000 0.625 CA 1.085 9 residues pruned to eliminate duplicates 6 1.251 1.322 0.232 0.300 0.800 0.400 CB 0.537 ? Z: 8 12.467 2.014 0.267 0.866 1.000 0.714 CA 1.353 9 residues pruned to eliminate duplicates Z: 16 23.495 2.012 0.627 0.894 0.933 0.667 CA 1.424 16 residues pruned to eliminate duplicates Z: 10 3.425 1.281 0.218 0.373 0.778 0.556 CA 1.077 10 residues pruned to eliminate duplicates Z: 28 16.805 1.832 0.424 0.586 0.852 0.741 CA 1.340 38 residues pruned to eliminate duplicates Z: 9 8.716 1.473 0.598 0.855 1.000 1.000 CA 0.966 9 residues pruned to eliminate duplicates Z: 6 11.599 1.938 0.342 0.780 1.000 1.000 CA 1.558 6 residues pruned to eliminate duplicates Z: 14 7.125 1.699 0.512 0.340 0.769 0.462 CB 1.191 14 residues pruned to eliminate duplicates Z: 9 7.347 1.802 0.028 0.643 1.000 0.625 CB 1.227 9 residues pruned to eliminate duplicates Z: 7 5.138 1.803 -0.172 0.591 1.000 0.667 CB 1.287 Z: 20 16.230 1.869 0.480 0.709 0.947 0.737 CA 1.175 20 residues pruned to eliminate duplicates Z: 13 14.836 1.670 0.518 0.905 1.000 0.917 CA 1.202 13 residues pruned to eliminate duplicates Z: 6 4.465 1.709 0.229 0.451 0.800 0.600 CB 1.250 Z: 11 13.917 1.821 0.301 0.909 1.000 1.000 CA 1.319 11 residues pruned to eliminate duplicates Z: 20 14.093 1.788 0.726 0.500 0.789 0.421 CA 1.327 20 residues pruned to eliminate duplicates Z: 9 11.666 1.850 0.293 0.889 1.000 0.750 CB 1.242 11 residues pruned to eliminate duplicates 7 0.892 1.273 0.564 0.334 0.667 0.500 CB 0.329 ? Z: 10 17.075 1.976 0.816 0.817 1.000 0.667 CA 1.204 10 residues pruned to eliminate duplicates Z: 6 2.420 1.633 -0.052 0.369 0.600 0.400 N 1.341 Z: 12 17.927 1.739 0.932 0.817 1.000 0.727 CA 1.221 12 residues pruned to eliminate duplicates Z: 8 5.802 1.716 0.256 0.576 0.714 0.714 O 1.325 8 residues pruned to eliminate duplicates Z: 13 12.435 1.758 0.669 0.829 1.000 0.750 CB 0.920 11 residues pruned to eliminate duplicates Z: 39 25.694 1.947 0.523 0.530 0.974 0.632 CA 1.401 39 residues pruned to eliminate duplicates Z: 12 4.724 1.592 0.400 0.352 0.909 0.273 CB 0.825 12 residues pruned to eliminate duplicates Z: 6 7.250 1.976 0.281 0.847 1.000 0.800 CB 0.951 6 residues pruned to eliminate duplicates Z: 7 3.441 1.689 0.055 0.296 1.000 0.667 CA 0.990 Z: 12 6.566 1.650 0.260 0.764 0.909 0.545 CB 0.829 12 residues pruned to eliminate duplicates Z: 9 5.463 1.670 0.245 0.508 0.875 0.500 CA 1.054 9 residues pruned to eliminate duplicates Z: 13 13.982 1.969 0.284 0.856 0.917 0.833 CA 1.284 Z: 54 25.272 1.936 0.700 0.513 0.868 0.415 CB 1.200 48 residues pruned to eliminate duplicates Z: 28 14.487 1.807 0.267 0.525 0.889 0.519 CA 1.337 28 residues pruned to eliminate duplicates Z: 11 16.145 1.977 0.606 0.888 1.000 0.800 CA 1.158 11 residues pruned to eliminate duplicates Z: 6 2.533 1.519 0.584 0.658 1.000 0.600 N 0.407 Z: 6 6.688 1.486 0.275 0.877 1.000 0.400 C 1.146 6 residues pruned to eliminate duplicates 6 1.903 1.269 -0.119 0.496 1.000 0.400 N 0.764 ? Z: 16 8.434 1.762 0.303 0.360 0.867 0.533 CB 1.273 16 residues pruned to eliminate duplicates Z: 8 8.800 1.868 0.111 0.694 1.000 0.857 CB 1.342 8 residues pruned to eliminate duplicates Z: 50 37.375 2.077 0.767 0.604 0.939 0.551 CB 1.403 56 residues pruned to eliminate duplicates Z: 19 14.415 1.806 0.306 0.841 1.000 0.778 CA 1.074 19 residues pruned to eliminate duplicates Z: 16 7.460 1.774 0.331 0.519 0.867 0.733 CB 0.924 16 residues pruned to eliminate duplicates Z: 11 9.439 1.719 0.759 0.514 0.900 0.800 CA 1.082 11 residues pruned to eliminate duplicates Z: 6 3.760 1.569 0.661 0.498 1.000 0.600 CB 0.647 Z: 31 16.004 1.868 0.468 0.453 0.933 0.467 CB 1.198 31 residues pruned to eliminate duplicates Z: 8 4.456 1.666 0.428 0.521 0.714 0.571 CB 0.971 Z: 9 10.486 1.739 0.929 0.906 1.000 0.625 CB 0.786 9 residues pruned to eliminate duplicates Z: 41 31.520 2.038 0.575 0.695 0.900 0.775 CA 1.444 41 residues pruned to eliminate duplicates Z: 11 6.060 1.618 0.219 0.424 0.900 0.600 CA 1.168 11 residues pruned to eliminate duplicates Z: 12 20.852 1.803 0.786 0.920 1.000 0.636 CB 1.375 13 residues pruned to eliminate duplicates Z: 13 9.064 1.646 0.554 0.441 0.833 0.667 CA 1.304 11 residues pruned to eliminate duplicates Z: 10 8.255 1.623 0.540 0.410 1.000 0.444 CB 1.210 9 residues pruned to eliminate duplicates Z: 15 18.003 1.942 0.568 0.802 1.000 0.857 CB 1.214 15 residues pruned to eliminate duplicates Z: 6 2.200 1.150 0.504 0.592 0.600 0.400 O 0.868 5 residues pruned to eliminate duplicates Z: 13 13.884 1.787 0.265 0.933 1.000 0.833 CA 1.238 13 residues pruned to eliminate duplicates Z: 15 11.296 1.802 0.573 0.520 0.929 0.786 CA 1.124 15 residues pruned to eliminate duplicates Z: 9 3.239 1.552 0.144 0.403 0.875 0.500 CB 0.816 Z: 32 32.725 2.077 0.907 0.580 0.935 0.484 CA 1.469 48 residues pruned to eliminate duplicates Z: 8 12.876 1.879 0.622 0.676 1.000 0.714 CA 1.358 8 residues pruned to eliminate duplicates Z: 6 3.631 1.558 0.245 0.667 0.800 0.600 CB 0.896 7 1.819 1.350 0.107 0.279 0.667 0.667 CA 0.957 ? Z: 49 15.284 1.796 0.381 0.315 0.875 0.479 CB 1.247 49 residues pruned to eliminate duplicates Z: 11 5.803 1.351 0.739 0.422 0.900 0.600 CB 0.941 Z: 13 18.272 2.049 0.511 0.884 1.000 0.750 CA 1.231 13 residues pruned to eliminate duplicates Z: 19 8.310 1.619 0.304 0.450 0.889 0.444 CB 1.099 19 residues pruned to eliminate duplicates Z: 11 7.599 1.576 0.631 0.428 0.900 0.800 CA 1.120 11 residues pruned to eliminate duplicates Z: 13 15.660 1.941 0.756 0.788 1.000 0.750 CA 1.030 13 residues pruned to eliminate duplicates Z: 8 6.033 1.699 0.225 0.809 0.857 0.714 CA 0.977 8 residues pruned to eliminate duplicates Z: 12 12.855 1.998 0.389 0.819 0.909 0.636 CA 1.165 12 residues pruned to eliminate duplicates Z: 27 16.301 1.848 0.393 0.512 0.846 0.615 CA 1.450 27 residues pruned to eliminate duplicates Z: 25 18.441 1.788 0.723 0.450 1.000 0.500 CB 1.287 17 residues pruned to eliminate duplicates Z: 10 10.185 1.740 0.339 0.588 1.000 0.667 CA 1.339 10 residues pruned to eliminate duplicates Z: 8 10.890 1.922 0.940 0.751 0.714 0.429 CA 1.236 8 residues pruned to eliminate duplicates Z: 15 22.751 2.014 0.555 0.883 0.929 0.786 CA 1.512 15 residues pruned to eliminate duplicates Z: 14 18.508 1.929 0.861 0.503 1.000 0.615 CA 1.426 14 residues pruned to eliminate duplicates Z: 17 13.815 2.023 0.320 0.627 0.875 0.562 CB 1.312 17 residues pruned to eliminate duplicates Z: 14 19.081 1.834 0.572 0.839 1.000 0.846 CA 1.370 14 residues pruned to eliminate duplicates Z: 7 5.817 1.812 0.740 0.663 0.833 0.667 CB 0.777 Z: 14 9.043 1.721 0.167 0.583 0.846 0.538 CB 1.363 14 residues pruned to eliminate duplicates Z: 18 20.473 1.849 0.649 0.876 0.941 0.647 CB 1.258 18 residues pruned to eliminate duplicates Z: 15 13.129 1.916 0.376 0.477 0.929 0.857 CB 1.466 15 residues pruned to eliminate duplicates Z: 12 14.515 1.977 0.386 0.826 0.818 0.818 CA 1.472 12 residues pruned to eliminate duplicates Z: 8 6.518 1.430 0.697 0.660 0.857 0.571 CB 1.021 7 residues pruned to eliminate duplicates Z: 14 15.633 1.638 0.718 0.874 1.000 0.615 CB 1.121 14 residues pruned to eliminate duplicates Z: 18 26.184 1.998 0.726 0.894 1.000 0.824 CB 1.321 18 residues pruned to eliminate duplicates Z: 12 7.757 1.690 0.461 0.362 0.909 0.455 CB 1.208 11 residues pruned to eliminate duplicates Z: 6 6.059 1.788 0.828 0.865 1.000 0.600 CB 0.607 6 residues pruned to eliminate duplicates Z: 62 36.155 2.062 0.499 0.635 0.902 0.672 CB 1.464 62 residues pruned to eliminate duplicates Z: 17 23.729 1.968 0.651 0.908 1.000 0.812 CA 1.297 17 residues pruned to eliminate duplicates Z: 9 2.945 1.592 0.054 0.280 0.750 0.250 N 1.060 Z: 6 2.450 1.513 0.470 0.294 0.600 0.600 CB 1.035 Z: 39 29.947 2.048 0.610 0.611 0.895 0.605 CA 1.482 39 residues pruned to eliminate duplicates 6 1.609 1.474 0.406 0.293 0.800 0.400 N 0.547 ? Z: 8 5.065 1.484 0.431 0.768 0.857 0.429 CA 0.829 8 residues pruned to eliminate duplicates Z: 36 23.309 1.996 0.527 0.497 0.914 0.514 CB 1.418 36 residues pruned to eliminate duplicates Z: 10 7.007 1.676 0.209 0.893 1.000 0.778 CA 0.828 10 residues pruned to eliminate duplicates Z: 7 6.068 1.552 0.264 0.851 1.000 0.833 CA 0.935 7 residues pruned to eliminate duplicates Z: 14 17.676 1.788 0.798 0.912 1.000 0.846 CA 1.080 14 residues pruned to eliminate duplicates Z: 7 2.637 1.329 0.588 0.485 0.667 0.333 CB 0.777 Z: 19 24.268 2.124 0.531 0.753 1.000 0.778 CA 1.404 19 residues pruned to eliminate duplicates Z: 20 12.239 1.828 0.673 0.458 0.895 0.474 CA 1.071 Z: 15 10.256 1.765 0.470 0.735 0.857 0.786 CB 0.998 15 residues pruned to eliminate duplicates Z: 9 10.351 1.820 0.874 0.892 1.000 0.875 CB 0.771 9 residues pruned to eliminate duplicates Z: 11 3.540 1.395 0.262 0.357 0.800 0.600 CB 0.927 Z: 14 19.132 1.885 0.541 0.846 1.000 0.769 CA 1.356 14 residues pruned to eliminate duplicates Z: 8 10.168 1.955 0.801 0.695 1.000 0.857 CA 0.913 8 residues pruned to eliminate duplicates Z: 6 2.197 1.442 0.274 0.325 0.800 0.400 CA 0.811 6 residues pruned to eliminate duplicates Z: 8 5.526 1.488 0.100 0.557 1.000 0.714 CA 1.208 8 residues pruned to eliminate duplicates Z: 16 7.872 1.606 0.536 0.299 0.733 0.533 N 1.407 16 residues pruned to eliminate duplicates 6 1.831 1.320 0.399 0.298 0.600 0.400 C 0.927 ? Z: 13 13.004 1.774 0.413 0.914 1.000 0.500 CB 1.058 13 residues pruned to eliminate duplicates Z: 12 7.233 1.770 0.308 0.465 0.909 0.545 CB 1.074 12 residues pruned to eliminate duplicates Z: 23 18.167 1.858 0.482 0.607 0.955 0.636 CA 1.332 23 residues pruned to eliminate duplicates Z: 23 10.811 1.685 0.624 0.377 0.864 0.455 CA 1.113 16 residues pruned to eliminate duplicates Z: 12 19.094 2.104 0.469 0.863 1.000 0.909 CA 1.367 12 residues pruned to eliminate duplicates Z: 17 7.001 1.601 0.424 0.499 0.750 0.312 CB 1.024 17 residues pruned to eliminate duplicates Z: 48 18.563 1.734 0.446 0.487 0.915 0.489 CB 1.196 41 residues pruned to eliminate duplicates Z: 14 4.045 1.562 0.023 0.330 0.846 0.308 CB 1.000 14 residues pruned to eliminate duplicates Z: 12 10.295 1.896 0.608 0.290 0.909 0.909 CA 1.417 12 residues pruned to eliminate duplicates Z: 25 21.415 1.940 0.672 0.612 0.917 0.583 CB 1.323 25 residues pruned to eliminate duplicates Z: 36 24.702 2.000 0.588 0.502 1.000 0.543 CB 1.312 36 residues pruned to eliminate duplicates Z: 11 8.033 1.786 0.534 0.352 0.900 0.700 CB 1.209 11 residues pruned to eliminate duplicates Z: 36 16.792 1.946 0.434 0.461 0.800 0.486 CA 1.324 36 residues pruned to eliminate duplicates Z: 18 22.504 1.899 0.636 0.775 1.000 0.765 CA 1.378 29 residues pruned to eliminate duplicates Z: 7 6.763 1.701 0.381 0.599 0.833 0.833 CA 1.283 Z: 7 8.205 1.643 0.735 0.568 1.000 1.000 CB 1.100 7 residues pruned to eliminate duplicates Z: 10 17.061 2.124 0.378 0.897 1.000 1.000 CA 1.391 10 residues pruned to eliminate duplicates Z: 10 15.573 1.821 0.709 0.878 1.000 0.556 CB 1.211 10 residues pruned to eliminate duplicates Z: 14 17.140 1.933 0.635 0.805 0.923 0.615 CB 1.249 14 residues pruned to eliminate duplicates Z: 35 22.314 2.005 0.352 0.508 0.971 0.618 CA 1.444 35 residues pruned to eliminate duplicates Z: 8 10.489 1.929 0.371 0.773 0.857 0.429 CA 1.374 8 residues pruned to eliminate duplicates Z: 6 2.864 1.785 0.732 0.628 0.800 0.800 CB 0.459 6 residues pruned to eliminate duplicates Z: 7 7.715 1.945 0.277 0.718 1.000 0.833 CB 1.041 7 residues pruned to eliminate duplicates Z: 10 11.069 1.753 0.417 0.621 1.000 0.889 CA 1.326 9 residues pruned to eliminate duplicates Z: 13 8.687 1.649 0.589 0.436 0.833 0.667 CA 1.226 13 residues pruned to eliminate duplicates Z: 6 3.882 1.487 0.183 0.443 1.000 0.600 CB 1.047 Z: 39 20.135 1.858 0.473 0.574 0.842 0.553 CB 1.319 39 residues pruned to eliminate duplicates Z: 7 2.108 1.423 0.046 0.238 0.833 0.500 CA 0.940 7 residues pruned to eliminate duplicates Z: 11 26.471 2.209 1.005 0.911 1.000 0.300 CB 1.339 11 residues pruned to eliminate duplicates Z: 8 6.292 1.593 0.528 0.599 0.857 0.857 N 1.038 8 residues pruned to eliminate duplicates Z: 21 14.870 1.793 0.633 0.548 0.900 0.500 CB 1.204 21 residues pruned to eliminate duplicates Z: 7 3.412 1.653 0.173 0.448 0.833 0.667 C 0.909 Z: 12 22.867 2.026 0.739 0.928 1.000 0.727 CA 1.371 12 residues pruned to eliminate duplicates Z: 6 3.131 1.459 0.242 0.389 0.800 0.400 C 1.087 6 1.683 1.652 -0.012 0.495 1.000 0.400 CB 0.463 ? Z: 7 6.812 1.561 0.665 0.652 1.000 0.833 CB 0.929 Z: 14 15.207 1.817 0.634 0.829 0.923 0.462 CA 1.158 14 residues pruned to eliminate duplicates Z: 8 3.447 1.299 0.439 0.168 1.000 0.857 CB 1.043 Z: 14 22.396 1.866 0.870 0.932 0.923 0.692 CA 1.347 14 residues pruned to eliminate duplicates Z: 10 25.187 2.141 1.041 0.887 1.000 0.667 CA 1.386 13 residues pruned to eliminate duplicates Z: 6 7.807 1.789 0.265 0.848 1.000 0.800 CA 1.144 6 residues pruned to eliminate duplicates Z: 14 18.599 2.078 0.311 0.840 0.923 0.769 CB 1.530 14 residues pruned to eliminate duplicates Z: 13 13.604 1.769 0.559 0.886 1.000 0.417 CA 1.027 13 residues pruned to eliminate duplicates Z: 15 5.088 1.533 0.115 0.359 0.929 0.571 CB 0.997 15 residues pruned to eliminate duplicates 8 1.381 1.440 0.638 0.316 0.429 0.429 CB 0.633 ? 9 1.999 1.294 0.061 0.234 0.875 0.375 CB 0.802 ? Z: 14 12.336 1.671 0.437 0.835 1.000 0.769 CB 1.067 14 residues pruned to eliminate duplicates Z: 12 17.666 1.866 0.713 0.927 1.000 0.818 CB 1.168 12 residues pruned to eliminate duplicates Z: 22 11.535 1.833 0.631 0.553 0.810 0.571 CB 0.988 22 residues pruned to eliminate duplicates Z: 18 7.766 1.686 0.336 0.305 0.882 0.353 CA 1.178 13 residues pruned to eliminate duplicates Z: 11 7.261 1.561 0.662 0.357 0.900 0.400 CB 1.148 12 residues pruned to eliminate duplicates Z: 7 13.327 2.097 0.488 0.810 1.000 0.833 CB 1.331 8 residues pruned to eliminate duplicates Z: 13 9.700 1.563 0.319 0.896 1.000 0.833 CB 0.973 13 residues pruned to eliminate duplicates Z: 38 18.738 1.857 0.658 0.441 0.838 0.622 CA 1.270 38 residues pruned to eliminate duplicates Z: 10 10.042 1.907 0.208 0.711 0.778 0.444 CA 1.544 10 residues pruned to eliminate duplicates Z: 32 24.638 1.975 0.549 0.571 0.935 0.613 CA 1.444 32 residues pruned to eliminate duplicates Z: 15 9.927 1.833 0.592 0.424 0.714 0.714 CA 1.378 15 residues pruned to eliminate duplicates Z: 16 12.303 1.805 0.391 0.607 0.933 0.600 CA 1.224 16 residues pruned to eliminate duplicates Z: 7 3.566 1.662 0.324 0.355 0.667 0.500 N 1.160 Z: 9 7.294 1.573 0.227 0.542 1.000 0.750 O 1.283 9 residues pruned to eliminate duplicates Z: 7 2.063 1.741 0.283 0.181 0.500 0.167 CB 1.108 Z: 26 18.618 1.902 0.805 0.519 0.880 0.640 CA 1.209 26 residues pruned to eliminate duplicates Z: 13 2.664 1.561 0.043 0.248 0.750 0.417 CB 0.841 Z: 6 2.834 1.586 0.361 0.317 0.600 0.600 CB 1.198 Z: 8 4.837 1.578 0.879 0.470 0.714 0.714 CB 0.890 Z: 26 24.226 1.953 0.736 0.652 0.920 0.720 CA 1.349 26 residues pruned to eliminate duplicates Z: 10 15.769 1.898 0.599 0.872 1.000 0.667 CA 1.262 10 residues pruned to eliminate duplicates 6 1.932 1.421 0.311 0.245 0.800 0.200 CB 0.778 ? Z: 6 3.145 1.385 0.265 0.738 0.600 0.400 CA 1.081 6 residues pruned to eliminate duplicates Z: 37 18.947 1.863 0.491 0.497 0.917 0.556 CA 1.244 37 residues pruned to eliminate duplicates Z: 12 18.041 1.780 1.138 0.848 1.000 0.545 CA 1.061 12 residues pruned to eliminate duplicates Z: 23 22.815 1.954 0.757 0.623 0.909 0.545 CB 1.388 23 residues pruned to eliminate duplicates Z: 8 5.265 1.840 0.048 0.718 0.857 0.714 CB 0.989 8 residues pruned to eliminate duplicates Z: 6 2.153 1.607 -0.300 0.439 1.000 0.600 CB 0.911 Z: 9 3.064 1.334 0.133 0.316 0.875 0.625 N 1.004 Z: 28 29.183 1.986 0.886 0.563 0.926 0.481 CB 1.524 48 residues pruned to eliminate duplicates Z: 37 23.850 1.970 0.591 0.524 0.917 0.528 CB 1.351 37 residues pruned to eliminate duplicates Z: 17 28.467 1.987 0.847 0.847 0.938 0.438 CA 1.535 17 residues pruned to eliminate duplicates Z: 47 24.369 1.918 0.662 0.462 0.891 0.543 CB 1.314 47 residues pruned to eliminate duplicates Z: 7 5.190 1.781 0.084 0.835 0.833 0.333 CA 0.986 7 residues pruned to eliminate duplicates Z: 12 10.452 1.752 0.760 0.904 1.000 0.818 CB 0.728 12 residues pruned to eliminate duplicates Z: 11 16.510 1.788 0.836 0.877 1.000 0.700 CA 1.155 11 residues pruned to eliminate duplicates Z: 7 6.941 1.494 0.734 0.559 1.000 0.667 CA 1.033 7 residues pruned to eliminate duplicates Z: 7 2.560 1.531 0.132 0.104 0.833 0.500 N 1.199 7 residues pruned to eliminate duplicates Z: 15 16.600 1.737 0.705 0.836 0.857 0.714 CA 1.308 15 residues pruned to eliminate duplicates Z: 15 7.603 1.789 0.502 0.258 0.857 0.500 CB 1.164 15 residues pruned to eliminate duplicates Z: 25 22.428 2.061 0.332 0.595 1.000 0.833 CA 1.523 25 residues pruned to eliminate duplicates Z: 19 31.852 2.184 0.877 0.656 0.944 0.389 CA 1.677 19 residues pruned to eliminate duplicates Z: 19 9.890 1.679 0.514 0.550 0.833 0.556 CA 1.047 15 residues pruned to eliminate duplicates Z: 7 8.074 1.842 0.101 0.842 1.000 0.833 CB 1.211 7 residues pruned to eliminate duplicates Z: 34 24.245 2.010 0.518 0.568 0.909 0.606 CB 1.425 34 residues pruned to eliminate duplicates Z: 14 17.657 1.729 0.915 0.905 1.000 0.615 CB 1.053 14 residues pruned to eliminate duplicates Z: 25 17.936 1.830 0.610 0.519 0.875 0.625 CB 1.393 25 residues pruned to eliminate duplicates Z: 29 21.825 1.993 0.593 0.515 0.893 0.714 CA 1.434 34 residues pruned to eliminate duplicates 6 1.651 1.184 0.479 0.289 0.800 0.400 CB 0.668 ? Z: 9 9.128 1.735 0.609 0.730 1.000 0.750 N 0.941 Z: 12 4.655 1.314 0.294 0.499 0.909 0.636 CB 0.908 12 residues pruned to eliminate duplicates Z: 9 3.699 1.458 0.137 0.386 0.875 0.500 CB 1.018 9 residues pruned to eliminate duplicates Z: 8 4.738 1.542 0.496 0.433 0.714 0.571 CB 1.165 8 residues pruned to eliminate duplicates Z: 7 2.375 1.510 0.638 0.341 0.667 0.500 CA 0.699 7 residues pruned to eliminate duplicates Z: 18 9.011 1.811 0.286 0.349 0.941 0.529 CA 1.175 18 residues pruned to eliminate duplicates Z: 11 17.812 1.938 0.666 0.827 1.000 0.700 CA 1.315 11 residues pruned to eliminate duplicates Z: 13 10.067 1.784 0.524 0.434 0.833 0.667 CA 1.373 13 residues pruned to eliminate duplicates Z: 47 25.001 1.937 0.542 0.450 0.935 0.522 CA 1.390 47 residues pruned to eliminate duplicates Z: 6 3.802 1.678 -0.049 0.845 1.000 0.800 CB 0.792 6 residues pruned to eliminate duplicates Z: 28 18.137 1.855 0.583 0.540 0.852 0.519 CB 1.342 28 residues pruned to eliminate duplicates Z: 19 21.518 1.992 0.804 0.709 0.778 0.222 CB 1.502 19 residues pruned to eliminate duplicates Z: 11 4.459 1.584 0.574 0.609 0.800 0.300 CB 0.637 11 residues pruned to eliminate duplicates Z: 6 6.176 1.855 0.477 0.467 1.000 0.800 CB 1.042 6 residues pruned to eliminate duplicates Z: 10 9.031 1.764 0.524 0.477 1.000 0.444 CB 1.146 10 residues pruned to eliminate duplicates Z: 10 8.788 1.886 0.521 0.364 0.889 0.667 CA 1.330 10 residues pruned to eliminate duplicates Z: 6 6.909 1.642 0.646 0.734 0.800 0.600 CB 1.158 6 residues pruned to eliminate duplicates Z: 69 25.505 1.856 0.518 0.466 0.868 0.441 CA 1.309 76 residues pruned to eliminate duplicates Z: 14 18.734 1.936 0.469 0.868 1.000 0.769 CA 1.335 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 20.044 2.151 0.669 0.826 0.900 0.600 CA 1.479 10 residues pruned to eliminate duplicates Z: 11 19.849 2.042 0.699 0.847 1.000 0.700 CA 1.344 11 residues pruned to eliminate duplicates Z: 12 26.432 2.130 0.871 0.800 1.000 0.545 CA 1.539 12 residues pruned to eliminate duplicates Z: 12 23.546 2.160 0.763 0.804 0.909 0.455 CA 1.573 12 residues pruned to eliminate duplicates Z: 10 26.600 2.202 0.940 0.781 1.000 0.333 CA 1.621 10 residues pruned to eliminate duplicates Z: 11 18.026 2.077 0.840 0.699 0.900 0.400 CA 1.382 11 residues pruned to eliminate duplicates Z: 16 29.256 2.074 0.931 0.706 1.000 0.467 CA 1.563 16 residues pruned to eliminate duplicates Z: 14 28.006 2.060 0.964 0.824 0.923 0.692 CA 1.572 14 residues pruned to eliminate duplicates Z: 26 21.323 1.878 0.697 0.592 0.920 0.400 CB 1.332 36 residues pruned to eliminate duplicates Z: 9 14.895 1.975 0.689 0.894 1.000 0.750 CA 1.133 9 residues pruned to eliminate duplicates Z: 24 17.486 1.916 0.568 0.596 0.913 0.652 CB 1.212 24 residues pruned to eliminate duplicates Z: 25 13.971 1.845 0.603 0.485 0.833 0.583 CA 1.175 25 residues pruned to eliminate duplicates Z: 31 19.318 1.872 0.585 0.534 0.900 0.533 CA 1.278 31 residues pruned to eliminate duplicates Z: 32 22.916 1.892 0.688 0.605 0.871 0.581 CA 1.339 32 residues pruned to eliminate duplicates Z: 24 20.057 1.889 0.836 0.610 0.913 0.652 CA 1.190 24 residues pruned to eliminate duplicates Z: 12 11.109 1.785 0.916 0.745 0.818 0.727 CB 0.961 12 residues pruned to eliminate duplicates Z: 8 8.719 1.832 0.489 0.467 0.857 0.714 CB 1.457 8 residues pruned to eliminate duplicates Z: 9 22.724 2.045 1.061 0.852 1.000 0.750 CB 1.410 9 residues pruned to eliminate duplicates Z: 47 31.501 1.968 0.630 0.549 0.913 0.500 CA 1.513 47 residues pruned to eliminate duplicates Z: 27 17.988 1.942 0.670 0.481 0.885 0.500 CA 1.254 27 residues pruned to eliminate duplicates Z: 27 19.619 1.903 0.782 0.540 0.923 0.615 CA 1.182 27 residues pruned to eliminate duplicates Z: 15 11.726 1.781 0.477 0.633 0.929 0.429 CA 1.132 15 residues pruned to eliminate duplicates Z: 40 35.103 2.029 0.725 0.600 0.974 0.410 CA 1.498 40 residues pruned to eliminate duplicates Z: 45 33.206 1.974 0.775 0.597 0.955 0.636 CA 1.364 45 residues pruned to eliminate duplicates Z: 15 14.289 1.783 0.523 0.761 0.929 0.857 CB 1.202 15 residues pruned to eliminate duplicates Z: 14 16.998 1.788 0.564 0.748 1.000 0.692 CB 1.352 12 residues pruned to eliminate duplicates Z: 11 16.402 1.872 0.578 0.927 1.000 0.900 CA 1.229 11 residues pruned to eliminate duplicates Z: 12 12.706 1.792 0.475 0.688 0.909 0.545 CB 1.342 12 residues pruned to eliminate duplicates Z: 14 17.179 1.823 0.511 0.767 1.000 0.615 CB 1.365 14 residues pruned to eliminate duplicates Z: 26 11.672 1.695 0.441 0.453 0.800 0.440 CB 1.254 23 residues pruned to eliminate duplicates Z: 11 13.595 1.892 0.508 0.866 0.800 0.700 CB 1.380 11 residues pruned to eliminate duplicates Z: 11 15.209 1.835 0.695 0.863 0.900 0.300 CB 1.261 11 residues pruned to eliminate duplicates Z: 9 7.296 1.778 0.336 0.442 0.875 0.625 CB 1.317 Z: 6 3.368 1.525 0.487 0.734 0.600 0.600 CA 0.897 6 residues pruned to eliminate duplicates Z: 6 6.964 1.714 0.318 0.661 1.000 0.600 CA 1.188 7 residues pruned to eliminate duplicates Z: 19 16.895 1.878 0.342 0.851 0.944 0.556 CA 1.239 19 residues pruned to eliminate duplicates Z: 36 20.776 1.935 0.534 0.509 0.886 0.543 CA 1.325 36 residues pruned to eliminate duplicates Z: 19 19.197 1.961 0.630 0.720 0.889 0.833 CA 1.305 19 residues pruned to eliminate duplicates Z: 24 19.557 1.820 0.481 0.651 0.957 0.652 CB 1.373 24 residues pruned to eliminate duplicates Z: 39 21.856 1.854 0.571 0.517 0.974 0.658 CA 1.230 39 residues pruned to eliminate duplicates Z: 20 17.397 1.948 0.621 0.656 0.842 0.632 CA 1.299 20 residues pruned to eliminate duplicates Z: 53 30.593 2.007 0.540 0.610 0.923 0.635 CA 1.341 53 residues pruned to eliminate duplicates Z: 20 17.370 1.933 0.616 0.673 0.895 0.737 CA 1.214 20 residues pruned to eliminate duplicates Z: 34 18.121 1.867 0.472 0.505 0.939 0.485 CA 1.217 34 residues pruned to eliminate duplicates Z: 19 22.091 1.951 0.865 0.717 0.889 0.833 CA 1.322 19 residues pruned to eliminate duplicates Z: 37 23.194 1.868 0.646 0.514 0.944 0.500 CA 1.313 37 residues pruned to eliminate duplicates Z: 22 25.153 1.932 0.821 0.673 0.952 0.714 CB 1.397 22 residues pruned to eliminate duplicates Z: 19 22.475 1.944 0.934 0.703 0.889 0.556 CA 1.319 19 residues pruned to eliminate duplicates Z: 32 27.272 1.969 0.638 0.600 0.968 0.581 CA 1.427 32 residues pruned to eliminate duplicates Z: 19 19.361 1.866 0.656 0.745 0.944 0.667 CA 1.255 19 residues pruned to eliminate duplicates 7 1.684 1.616 -0.094 0.445 0.667 0.667 CB 0.745 ? Z: 30 22.633 1.842 0.636 0.609 0.931 0.552 CB 1.350 18 residues pruned to eliminate duplicates Z: 17 27.700 2.097 0.563 0.775 1.000 0.750 CA 1.658 17 residues pruned to eliminate duplicates Z: 31 30.816 2.089 0.613 0.580 0.967 0.667 CA 1.600 31 residues pruned to eliminate duplicates Z: 22 19.073 1.958 0.762 0.562 0.810 0.571 CA 1.404 22 residues pruned to eliminate duplicates Z: 40 31.102 2.009 0.772 0.575 0.923 0.462 CA 1.410 40 residues pruned to eliminate duplicates Z: 33 30.752 2.025 0.756 0.572 0.969 0.438 CA 1.472 33 residues pruned to eliminate duplicates Z: 43 35.735 2.055 0.723 0.615 0.952 0.524 CA 1.467 43 residues pruned to eliminate duplicates Z: 33 29.136 2.041 0.708 0.580 0.969 0.594 CA 1.413 33 residues pruned to eliminate duplicates Z: 16 27.248 2.052 0.774 0.776 0.933 0.600 CB 1.623 16 residues pruned to eliminate duplicates Z: 40 37.582 2.005 0.779 0.646 0.949 0.538 CB 1.552 40 residues pruned to eliminate duplicates Z: 19 28.174 2.054 0.702 0.645 1.000 0.500 CA 1.658 19 residues pruned to eliminate duplicates Z: 32 30.559 2.021 0.700 0.574 0.968 0.516 CA 1.537 32 residues pruned to eliminate duplicates Z: 18 28.332 2.090 0.715 0.703 1.000 0.412 CA 1.593 18 residues pruned to eliminate duplicates Z: 33 30.842 2.040 0.731 0.580 0.969 0.531 CA 1.476 33 residues pruned to eliminate duplicates Z: 31 27.868 2.029 0.710 0.575 0.900 0.433 CA 1.517 31 residues pruned to eliminate duplicates Z: 32 30.680 2.045 0.901 0.583 0.935 0.419 CA 1.399 32 residues pruned to eliminate duplicates Z: 35 28.076 1.980 0.594 0.593 0.971 0.618 CA 1.439 35 residues pruned to eliminate duplicates Z: 33 27.398 2.031 0.722 0.548 0.906 0.469 CA 1.457 33 residues pruned to eliminate duplicates Z: 28 18.846 1.805 0.730 0.451 0.926 0.556 CA 1.319 28 residues pruned to eliminate duplicates Z: 34 17.538 1.892 0.449 0.427 0.939 0.545 CA 1.279 37 residues pruned to eliminate duplicates Z: 7 5.590 1.637 0.379 0.523 1.000 0.333 CA 0.989 7 residues pruned to eliminate duplicates Z: 32 21.255 1.945 0.694 0.426 0.871 0.387 CA 1.437 32 residues pruned to eliminate duplicates Z: 42 29.210 1.994 0.722 0.604 0.829 0.463 CB 1.451 42 residues pruned to eliminate duplicates Z: 16 15.240 2.005 0.466 0.431 1.000 0.400 CA 1.439 16 residues pruned to eliminate duplicates Z: 46 27.164 1.992 0.588 0.566 0.844 0.356 CB 1.423 46 residues pruned to eliminate duplicates Z: 16 14.059 1.982 0.616 0.398 0.933 0.600 CA 1.352 16 residues pruned to eliminate duplicates Z: 29 35.881 2.122 0.863 0.648 0.964 0.393 CA 1.550 29 residues pruned to eliminate duplicates Z: 13 18.393 2.067 0.672 0.609 0.917 0.583 CA 1.511 13 residues pruned to eliminate duplicates Z: 13 18.478 2.058 0.744 0.590 0.917 0.583 CA 1.487 13 residues pruned to eliminate duplicates Z: 12 7.176 1.691 0.433 0.348 0.818 0.545 CA 1.287 12 residues pruned to eliminate duplicates Z: 13 8.271 1.692 0.425 0.351 0.917 0.750 CA 1.270 13 residues pruned to eliminate duplicates Z: 21 12.598 1.725 0.579 0.346 0.950 0.600 CA 1.287 35 residues pruned to eliminate duplicates Z: 6 2.934 1.484 0.042 0.320 1.000 0.800 N 1.035 6 residues pruned to eliminate duplicates Z: 16 12.183 1.727 0.568 0.381 0.933 0.600 CA 1.412 16 residues pruned to eliminate duplicates Z: 16 6.494 1.658 0.385 0.263 0.667 0.600 CB 1.435 16 residues pruned to eliminate duplicates Z: 12 5.764 1.823 0.078 0.306 0.818 0.455 CA 1.342 12 residues pruned to eliminate duplicates Z: 12 6.282 1.756 0.250 0.259 0.909 0.364 CA 1.251 12 residues pruned to eliminate duplicates Z: 15 6.500 1.693 0.322 0.345 0.786 0.571 CA 1.169 15 residues pruned to eliminate duplicates Z: 11 8.823 1.805 0.397 0.399 0.900 0.600 CA 1.368 11 residues pruned to eliminate duplicates Z: 16 21.865 2.108 0.677 0.890 1.000 0.800 CA 1.149 Z: 16 31.826 2.229 0.920 0.859 1.000 0.667 CA 1.413 16 residues pruned to eliminate duplicates Z: 16 26.831 2.185 0.772 0.882 1.000 0.667 CA 1.294 16 residues pruned to eliminate duplicates Z: 38 28.141 2.013 0.762 0.516 0.919 0.514 CA 1.398 54 residues pruned to eliminate duplicates Z: 33 29.504 2.121 0.786 0.529 0.938 0.469 CA 1.428 33 residues pruned to eliminate duplicates Z: 26 24.701 2.004 0.692 0.578 1.000 0.680 CB 1.351 26 residues pruned to eliminate duplicates Z: 24 30.911 2.084 0.842 0.654 0.957 0.565 CA 1.521 24 residues pruned to eliminate duplicates Z: 19 29.704 2.152 0.957 0.701 0.944 0.556 CA 1.465 19 residues pruned to eliminate duplicates Z: 26 28.251 2.105 0.791 0.605 0.960 0.400 CA 1.414 26 residues pruned to eliminate duplicates Z: 50 28.569 2.018 0.572 0.539 0.898 0.449 CB 1.378 50 residues pruned to eliminate duplicates Z: 20 20.685 2.015 0.914 0.652 0.842 0.316 CA 1.268 20 residues pruned to eliminate duplicates Z: 27 21.536 1.973 0.669 0.556 0.923 0.423 CB 1.316 27 residues pruned to eliminate duplicates Z: 37 25.062 1.970 0.608 0.461 0.972 0.444 CA 1.411 37 residues pruned to eliminate duplicates Z: 61 30.190 1.974 0.583 0.536 0.933 0.500 CB 1.290 61 residues pruned to eliminate duplicates Z: 9 10.753 1.630 1.009 0.726 1.000 0.625 CB 0.947 9 residues pruned to eliminate duplicates Z: 21 18.253 1.896 0.464 0.771 0.900 0.550 CB 1.285 21 residues pruned to eliminate duplicates Z: 8 7.064 1.733 0.837 0.425 0.857 0.429 CB 1.058 8 residues pruned to eliminate duplicates Z: 7 6.083 1.697 0.965 0.504 0.833 0.333 CB 0.890 7 residues pruned to eliminate duplicates Z: 59 33.428 1.972 0.649 0.482 0.948 0.552 CA 1.449 59 residues pruned to eliminate duplicates Z: 32 14.547 1.906 0.208 0.424 0.871 0.613 CB 1.411 32 residues pruned to eliminate duplicates Z: 16 14.459 1.940 0.496 0.411 0.933 0.533 CA 1.513 16 residues pruned to eliminate duplicates Z: 38 30.970 2.010 0.761 0.548 0.973 0.595 CB 1.410 38 residues pruned to eliminate duplicates Z: 42 25.867 1.934 0.618 0.484 0.951 0.463 CA 1.380 42 residues pruned to eliminate duplicates Z: 34 32.474 2.076 0.790 0.574 1.000 0.545 CA 1.416 34 residues pruned to eliminate duplicates Z: 16 12.424 1.945 0.573 0.316 0.867 0.533 CA 1.483 16 residues pruned to eliminate duplicates Z: 33 30.595 2.107 0.759 0.544 0.938 0.438 CA 1.491 33 residues pruned to eliminate duplicates Z: 32 31.185 2.123 0.756 0.551 1.000 0.419 CA 1.429 32 residues pruned to eliminate duplicates Z: 34 31.988 2.090 0.829 0.531 0.970 0.515 CA 1.457 34 residues pruned to eliminate duplicates Z: 34 30.697 2.075 0.901 0.517 0.939 0.545 CB 1.418 34 residues pruned to eliminate duplicates Z: 7 5.537 1.930 0.175 0.809 0.833 0.833 CB 0.914 7 residues pruned to eliminate duplicates Z: 7 6.092 1.879 0.331 0.803 0.833 0.500 CB 0.916 7 residues pruned to eliminate duplicates Z: 8 4.216 1.684 0.260 0.713 0.714 0.714 CA 0.866 8 residues pruned to eliminate duplicates Z: 7 5.093 1.853 0.071 0.693 1.000 1.000 CB 0.878 7 residues pruned to eliminate duplicates Z: 13 10.007 1.775 0.423 0.705 1.000 0.667 CB 0.949 13 residues pruned to eliminate duplicates Z: 12 11.360 1.750 0.399 0.850 0.909 0.727 CB 1.140 11 residues pruned to eliminate duplicates Z: 11 12.174 1.753 0.440 0.899 1.000 0.700 CB 1.090 10 residues pruned to eliminate duplicates Z: 10 10.133 1.870 0.327 0.908 1.000 0.778 CB 0.968 10 residues pruned to eliminate duplicates Z: 12 12.982 1.862 0.525 0.698 1.000 0.909 CB 1.150 13 residues pruned to eliminate duplicates Z: 10 10.231 1.886 0.222 0.914 1.000 1.000 CB 1.046 10 residues pruned to eliminate duplicates Z: 12 12.624 1.654 0.648 0.912 0.909 0.818 CB 1.088 12 residues pruned to eliminate duplicates Z: 11 13.153 1.800 0.506 0.820 0.900 0.800 CB 1.291 11 residues pruned to eliminate duplicates Z: 11 14.116 1.809 0.505 0.903 1.000 0.900 CB 1.168 11 residues pruned to eliminate duplicates Z: 38 21.189 1.930 0.483 0.486 0.892 0.595 CA 1.384 38 residues pruned to eliminate duplicates Z: 11 7.904 1.711 0.363 0.477 0.800 0.700 CA 1.370 12 residues pruned to eliminate duplicates Z: 9 3.923 1.121 1.106 0.482 0.875 0.625 CA 0.684 8 residues pruned to eliminate duplicates Z: 9 6.994 1.647 0.454 0.394 0.875 0.375 CA 1.319 9 residues pruned to eliminate duplicates Z: 14 14.927 2.001 0.671 0.371 0.923 0.538 CA 1.540 14 residues pruned to eliminate duplicates Z: 17 13.471 1.841 0.647 0.436 0.875 0.562 CA 1.356 17 residues pruned to eliminate duplicates Z: 17 18.624 1.905 0.776 0.534 0.938 0.562 CA 1.420 16 residues pruned to eliminate duplicates Z: 7 7.192 1.906 1.002 0.409 0.833 0.667 CA 1.016 7 residues pruned to eliminate duplicates Z: 16 21.217 1.962 0.843 0.490 1.000 0.600 CA 1.530 17 residues pruned to eliminate duplicates Z: 6 5.154 1.472 0.514 0.739 1.000 0.400 CB 0.835 6 residues pruned to eliminate duplicates Z: 17 14.580 1.874 0.656 0.360 0.938 0.625 CB 1.456 17 residues pruned to eliminate duplicates Z: 28 17.891 1.917 0.655 0.397 0.852 0.556 CB 1.420 39 residues pruned to eliminate duplicates Z: 6 10.945 1.790 0.668 0.608 1.000 0.400 N 1.479 6 residues pruned to eliminate duplicates Z: 17 18.616 1.866 0.872 0.455 0.938 0.500 CA 1.489 16 residues pruned to eliminate duplicates Z: 6 5.966 1.683 0.643 0.331 1.000 0.400 CA 1.161 6 residues pruned to eliminate duplicates Z: 28 21.323 2.018 0.562 0.483 0.926 0.593 CA 1.431 29 residues pruned to eliminate duplicates Z: 7 6.909 1.659 1.199 0.387 0.833 0.500 CA 1.046 7 residues pruned to eliminate duplicates Z: 12 16.362 2.087 0.667 0.377 1.000 0.636 CB 1.617 12 residues pruned to eliminate duplicates Z: 34 22.131 1.985 0.507 0.478 0.909 0.697 CB 1.448 34 residues pruned to eliminate duplicates Z: 13 13.367 2.054 0.721 0.321 0.917 0.583 CB 1.450 13 residues pruned to eliminate duplicates Z: 27 20.573 2.022 0.381 0.548 0.962 0.692 CA 1.433 27 residues pruned to eliminate duplicates Z: 18 12.416 1.892 0.576 0.333 0.824 0.412 CB 1.471 18 residues pruned to eliminate duplicates Z: 15 15.688 1.771 0.633 0.825 1.000 0.786 CA 1.094 15 residues pruned to eliminate duplicates Z: 33 22.500 1.955 0.669 0.510 0.938 0.656 CA 1.287 42 residues pruned to eliminate duplicates Z: 14 17.458 1.839 0.678 0.838 0.923 0.615 CA 1.270 14 residues pruned to eliminate duplicates Z: 28 21.386 1.983 0.705 0.513 0.926 0.778 CA 1.298 28 residues pruned to eliminate duplicates Z: 17 15.402 1.882 0.660 0.588 1.000 0.750 CA 1.133 17 residues pruned to eliminate duplicates Z: 27 24.183 2.006 0.801 0.523 0.962 0.923 CA 1.335 27 residues pruned to eliminate duplicates Z: 28 24.124 2.011 0.803 0.537 0.926 0.778 CA 1.334 28 residues pruned to eliminate duplicates Z: 13 15.456 1.927 0.513 0.842 1.000 0.833 CA 1.141 13 residues pruned to eliminate duplicates Z: 29 19.003 1.921 0.536 0.495 0.964 0.750 CA 1.269 29 residues pruned to eliminate duplicates Z: 26 15.867 1.840 0.727 0.397 0.880 0.720 CA 1.265 26 residues pruned to eliminate duplicates Z: 28 21.833 1.984 0.718 0.507 0.963 0.778 CA 1.271 28 residues pruned to eliminate duplicates Z: 28 23.094 2.001 0.790 0.533 0.926 0.741 CA 1.297 28 residues pruned to eliminate duplicates Z: 34 20.697 1.907 0.652 0.494 0.939 0.818 CA 1.224 34 residues pruned to eliminate duplicates Z: 38 20.979 1.892 0.676 0.471 0.892 0.703 CA 1.256 38 residues pruned to eliminate duplicates Z: 30 23.329 1.929 0.793 0.507 0.931 0.793 CA 1.336 30 residues pruned to eliminate duplicates Z: 15 11.863 1.836 0.855 0.331 0.857 0.714 CA 1.307 15 residues pruned to eliminate duplicates Z: 36 20.119 1.898 0.752 0.464 0.857 0.686 CA 1.238 36 residues pruned to eliminate duplicates Z: 15 14.076 1.897 0.672 0.387 1.000 0.714 CA 1.337 15 residues pruned to eliminate duplicates Z: 9 6.161 1.473 0.306 0.604 0.875 0.625 CA 1.172 9 residues pruned to eliminate duplicates Z: 27 20.884 1.968 0.688 0.478 0.923 0.692 CA 1.366 27 residues pruned to eliminate duplicates Z: 26 17.991 1.873 0.785 0.473 0.880 0.560 CA 1.257 26 residues pruned to eliminate duplicates Z: 28 20.831 2.008 0.692 0.495 0.926 0.778 CA 1.281 28 residues pruned to eliminate duplicates Z: 15 9.537 1.815 0.661 0.256 0.929 0.714 CA 1.204 15 residues pruned to eliminate duplicates Z: 28 16.967 1.909 0.623 0.397 0.852 0.667 CA 1.379 28 residues pruned to eliminate duplicates Z: 29 14.878 1.710 0.750 0.304 0.857 0.571 CB 1.362 34 residues pruned to eliminate duplicates Z: 6 4.548 1.537 0.738 0.418 1.000 0.800 CA 0.830 6 residues pruned to eliminate duplicates Z: 15 8.045 1.689 0.467 0.388 0.857 0.500 CB 1.140 15 residues pruned to eliminate duplicates Z: 10 9.515 1.712 0.521 0.506 0.889 0.556 CA 1.361 10 residues pruned to eliminate duplicates Z: 10 8.891 1.674 0.860 0.524 0.778 0.667 CA 1.196 10 residues pruned to eliminate duplicates Z: 9 6.453 1.724 0.360 0.685 0.750 0.625 CA 1.096 9 residues pruned to eliminate duplicates Z: 10 8.290 1.714 0.383 0.630 0.889 0.556 CA 1.161 10 residues pruned to eliminate duplicates Z: 15 7.436 1.586 0.550 0.422 0.786 0.500 CA 1.116 15 residues pruned to eliminate duplicates Z: 22 10.922 1.695 0.574 0.434 0.810 0.571 CB 1.182 26 residues pruned to eliminate duplicates Z: 8 9.126 1.768 0.471 0.756 1.000 0.714 CA 1.056 8 residues pruned to eliminate duplicates Z: 10 7.935 1.640 0.388 0.678 0.889 0.667 CA 1.110 10 residues pruned to eliminate duplicates Z: 17 12.152 1.815 0.493 0.667 0.812 0.562 CA 1.182 17 residues pruned to eliminate duplicates Z: 17 14.661 1.969 0.397 0.654 0.875 0.625 CB 1.320 17 residues pruned to eliminate duplicates Z: 22 13.676 1.870 0.167 0.608 0.905 0.571 CB 1.364 22 residues pruned to eliminate duplicates Z: 22 12.712 1.835 0.134 0.610 0.905 0.429 CA 1.327 22 residues pruned to eliminate duplicates Z: 22 18.715 1.886 0.466 0.671 1.000 0.619 CB 1.262 22 residues pruned to eliminate duplicates Z: 63 34.234 1.984 0.600 0.614 0.903 0.468 CB 1.362 63 residues pruned to eliminate duplicates Z: 23 16.012 1.867 0.349 0.583 0.909 0.545 CA 1.376 23 residues pruned to eliminate duplicates Z: 11 16.142 2.076 0.742 0.824 0.900 0.400 CB 1.185 11 residues pruned to eliminate duplicates Z: 22 16.531 1.891 0.415 0.632 0.905 0.571 CB 1.316 22 residues pruned to eliminate duplicates Z: 15 16.574 2.008 0.471 0.713 0.929 0.571 CB 1.331 15 residues pruned to eliminate duplicates Z: 24 20.283 1.871 0.437 0.673 1.000 0.565 CB 1.340 24 residues pruned to eliminate duplicates Z: 15 22.182 1.875 1.062 0.895 0.929 0.857 CB 1.184 15 residues pruned to eliminate duplicates Z: 24 17.916 1.828 0.363 0.664 0.957 0.652 CA 1.346 24 residues pruned to eliminate duplicates Z: 12 10.294 1.818 0.168 0.627 0.909 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 54 25.186 1.919 0.485 0.523 0.887 0.566 CB 1.338 54 residues pruned to eliminate duplicates Z: 18 16.779 1.942 0.607 0.527 0.824 0.588 CA 1.541 19 residues pruned to eliminate duplicates Z: 8 9.021 1.942 0.091 0.763 0.857 0.571 CB 1.487 8 residues pruned to eliminate duplicates Z: 18 9.198 1.696 0.307 0.497 0.765 0.529 CB 1.320 18 residues pruned to eliminate duplicates Z: 11 11.245 1.907 0.287 0.683 0.900 0.700 CA 1.362 10 residues pruned to eliminate duplicates Z: 9 9.791 1.904 0.038 0.880 1.000 0.750 CA 1.270 9 residues pruned to eliminate duplicates Z: 22 11.905 1.802 0.325 0.434 0.857 0.619 CA 1.360 22 residues pruned to eliminate duplicates Z: 30 11.635 1.788 0.361 0.301 0.828 0.483 CB 1.339 30 residues pruned to eliminate duplicates Z: 15 8.093 1.760 0.253 0.448 0.714 0.500 CA 1.449 15 residues pruned to eliminate duplicates Z: 20 14.290 1.830 0.621 0.423 0.842 0.579 CB 1.421 20 residues pruned to eliminate duplicates Z: 20 15.343 1.831 0.724 0.480 0.895 0.632 CA 1.272 20 residues pruned to eliminate duplicates Z: 19 14.953 1.848 0.599 0.426 0.944 0.611 CA 1.363 19 residues pruned to eliminate duplicates Z: 37 14.433 1.827 0.286 0.397 0.861 0.500 CA 1.326 37 residues pruned to eliminate duplicates Z: 23 13.140 1.853 0.460 0.476 0.818 0.545 CA 1.297 23 residues pruned to eliminate duplicates Z: 11 12.144 1.865 0.602 0.409 1.000 0.400 CB 1.414 11 residues pruned to eliminate duplicates Z: 10 10.426 1.887 0.569 0.426 0.889 0.667 CB 1.425 10 residues pruned to eliminate duplicates Z: 16 12.046 1.876 0.489 0.350 0.867 0.400 CB 1.510 10 residues pruned to eliminate duplicates Z: 11 7.139 1.774 0.259 0.909 1.000 0.700 CB 0.717 Z: 12 9.845 1.802 0.514 0.922 1.000 0.727 CB 0.765 11 residues pruned to eliminate duplicates Z: 12 8.533 1.802 0.391 0.921 1.000 0.818 CB 0.722 12 residues pruned to eliminate duplicates Z: 12 8.749 1.829 0.368 0.809 1.000 0.636 CB 0.805 12 residues pruned to eliminate duplicates Z: 21 11.770 1.749 0.545 0.658 0.900 0.450 CB 0.935 33 residues pruned to eliminate duplicates Z: 21 13.293 1.766 0.682 0.644 0.850 0.550 CB 1.029 21 residues pruned to eliminate duplicates Z: 15 13.969 2.014 0.207 0.787 0.929 0.786 CA 1.285 15 residues pruned to eliminate duplicates Z: 14 16.931 2.101 0.247 0.779 1.000 0.769 CA 1.400 14 residues pruned to eliminate duplicates Z: 9 12.821 2.308 -0.135 0.902 1.000 0.750 CA 1.619 9 residues pruned to eliminate duplicates Z: 22 17.626 2.044 0.578 0.462 0.905 0.524 CA 1.370 22 residues pruned to eliminate duplicates Z: 66 36.338 2.050 0.542 0.637 0.892 0.662 CB 1.406 66 residues pruned to eliminate duplicates Z: 42 33.425 2.060 0.642 0.650 0.951 0.780 CB 1.411 42 residues pruned to eliminate duplicates Z: 38 33.334 2.048 0.710 0.652 0.946 0.649 CB 1.436 38 residues pruned to eliminate duplicates Z: 61 44.687 2.083 0.705 0.625 0.967 0.550 CB 1.494 62 residues pruned to eliminate duplicates Z: 13 18.767 2.091 0.388 0.834 0.917 0.417 CA 1.526 13 residues pruned to eliminate duplicates Z: 23 25.477 2.080 0.569 0.615 1.000 0.545 CB 1.493 23 residues pruned to eliminate duplicates Z: 68 38.678 2.037 0.623 0.594 0.955 0.567 CB 1.368 68 residues pruned to eliminate duplicates Z: 62 31.878 2.001 0.557 0.593 0.885 0.475 CB 1.354 62 residues pruned to eliminate duplicates Z: 63 39.779 2.076 0.549 0.617 0.968 0.629 CB 1.454 63 residues pruned to eliminate duplicates Z: 65 37.273 2.047 0.548 0.643 0.906 0.672 CB 1.419 65 residues pruned to eliminate duplicates Z: 64 39.687 2.047 0.598 0.649 0.937 0.587 CB 1.420 62 residues pruned to eliminate duplicates Z: 9 7.164 1.804 0.453 0.436 0.750 0.375 CA 1.377 9 residues pruned to eliminate duplicates Z: 25 23.836 2.075 0.585 0.565 0.917 0.708 CA 1.515 25 residues pruned to eliminate duplicates Z: 26 20.928 1.993 0.572 0.509 0.920 0.600 CA 1.439 26 residues pruned to eliminate duplicates Z: 24 25.466 2.052 0.583 0.590 1.000 0.696 CA 1.499 24 residues pruned to eliminate duplicates Z: 24 27.983 2.090 0.610 0.620 1.000 0.783 CA 1.549 24 residues pruned to eliminate duplicates Z: 6 3.834 1.476 0.262 0.478 1.000 1.000 CB 0.941 6 residues pruned to eliminate duplicates Z: 25 25.066 2.056 0.562 0.597 0.958 0.792 CA 1.515 25 residues pruned to eliminate duplicates Z: 15 20.494 1.956 0.524 0.784 1.000 0.929 CA 1.431 15 residues pruned to eliminate duplicates Z: 12 16.815 2.091 0.293 0.890 1.000 0.909 CA 1.349 12 residues pruned to eliminate duplicates Z: 48 34.161 2.047 0.594 0.559 0.957 0.723 CB 1.506 48 residues pruned to eliminate duplicates Z: 24 23.607 2.035 0.529 0.593 1.000 0.739 CA 1.447 24 residues pruned to eliminate duplicates Z: 62 39.925 2.064 0.589 0.627 0.951 0.721 CB 1.455 62 residues pruned to eliminate duplicates Z: 45 36.612 2.097 0.585 0.601 0.977 0.545 CA 1.543 45 residues pruned to eliminate duplicates Z: 47 36.621 2.101 0.547 0.622 0.978 0.761 CA 1.514 47 residues pruned to eliminate duplicates Z: 24 24.537 2.082 0.473 0.624 1.000 0.739 CA 1.484 24 residues pruned to eliminate duplicates Z: 24 24.892 2.059 0.620 0.567 0.957 0.652 CA 1.525 24 residues pruned to eliminate duplicates Z: 65 41.329 2.058 0.594 0.640 0.953 0.594 CB 1.449 63 residues pruned to eliminate duplicates Z: 12 24.721 2.042 0.800 0.926 1.000 0.364 CB 1.422 12 residues pruned to eliminate duplicates Z: 39 28.620 2.049 0.534 0.653 0.895 0.658 CB 1.432 41 residues pruned to eliminate duplicates Z: 13 24.826 1.948 0.852 0.920 1.000 0.750 CB 1.400 14 residues pruned to eliminate duplicates Z: 14 20.369 1.984 0.715 0.779 0.923 0.692 CB 1.406 14 residues pruned to eliminate duplicates Z: 12 24.377 2.002 0.679 0.906 1.000 0.818 CA 1.555 12 residues pruned to eliminate duplicates Z: 38 32.206 2.062 0.580 0.658 0.973 0.622 CA 1.442 38 residues pruned to eliminate duplicates Z: 39 33.293 2.046 0.560 0.656 1.000 0.605 CB 1.465 39 residues pruned to eliminate duplicates Z: 26 20.885 1.947 0.604 0.672 0.920 0.680 CB 1.240 26 residues pruned to eliminate duplicates Z: 39 30.318 2.058 0.608 0.700 0.895 0.553 CB 1.384 39 residues pruned to eliminate duplicates Z: 38 35.184 2.090 0.622 0.672 0.973 0.676 CA 1.497 38 residues pruned to eliminate duplicates Z: 15 20.583 1.871 0.699 0.887 1.000 0.714 CB 1.247 15 residues pruned to eliminate duplicates Z: 39 32.240 2.066 0.670 0.634 0.921 0.632 CB 1.452 39 residues pruned to eliminate duplicates Z: 26 18.508 1.920 0.582 0.604 0.840 0.640 CB 1.313 26 residues pruned to eliminate duplicates Z: 62 36.374 2.074 0.466 0.626 0.918 0.639 CB 1.483 62 residues pruned to eliminate duplicates Z: 39 30.970 2.016 0.600 0.668 0.974 0.579 CB 1.370 39 residues pruned to eliminate duplicates Z: 38 30.727 2.081 0.481 0.668 0.919 0.676 CA 1.527 38 residues pruned to eliminate duplicates Z: 7 3.296 1.460 0.471 0.594 0.500 0.500 O 1.145 7 residues pruned to eliminate duplicates Z: 25 24.950 2.053 0.543 0.669 0.958 0.625 CA 1.436 25 residues pruned to eliminate duplicates Z: 27 13.966 1.891 0.375 0.534 0.885 0.731 CB 1.151 29 residues pruned to eliminate duplicates Z: 6 6.083 1.883 0.513 0.326 0.800 0.200 CB 1.444 9 residues pruned to eliminate duplicates Z: 7 3.849 1.566 0.807 0.498 0.667 0.500 CA 0.834 7 residues pruned to eliminate duplicates Z: 21 19.515 2.016 0.537 0.664 0.900 0.650 CA 1.345 21 residues pruned to eliminate duplicates Z: 20 22.298 2.110 0.497 0.734 0.947 0.789 CA 1.385 19 residues pruned to eliminate duplicates Z: 14 16.117 1.992 0.560 0.809 0.923 0.923 CA 1.190 14 residues pruned to eliminate duplicates Z: 20 23.977 2.150 0.411 0.689 1.000 0.684 CB 1.524 20 residues pruned to eliminate duplicates Z: 14 14.994 2.106 0.066 0.827 0.923 0.769 CB 1.512 14 residues pruned to eliminate duplicates Z: 27 17.353 1.940 0.396 0.549 0.923 0.692 CB 1.297 27 residues pruned to eliminate duplicates Z: 35 17.698 2.009 0.488 0.406 0.882 0.500 CB 1.269 54 residues pruned to eliminate duplicates Z: 22 18.161 2.089 0.302 0.609 0.905 0.571 CB 1.452 Z: 15 17.962 2.015 0.302 0.839 0.929 0.643 CA 1.471 18 residues pruned to eliminate duplicates Z: 14 17.672 2.011 0.582 0.837 0.846 0.769 CA 1.362 15 residues pruned to eliminate duplicates Z: 14 21.813 2.044 0.649 0.865 0.923 0.692 CA 1.425 14 residues pruned to eliminate duplicates Z: 10 21.645 2.280 0.598 0.924 1.000 0.778 CB 1.391 12 residues pruned to eliminate duplicates Z: 15 21.881 2.028 0.508 0.911 1.000 0.714 CB 1.356 13 residues pruned to eliminate duplicates Z: 13 22.639 2.057 0.608 0.908 1.000 0.667 CB 1.403 13 residues pruned to eliminate duplicates Z: 26 25.420 2.009 0.697 0.634 0.920 0.520 CB 1.430 44 residues pruned to eliminate duplicates Z: 12 10.647 1.710 0.316 0.592 1.000 0.818 CA 1.306 12 residues pruned to eliminate duplicates Z: 15 9.711 1.978 0.217 0.541 0.857 0.643 CB 1.208 15 residues pruned to eliminate duplicates Z: 10 10.050 1.881 0.428 0.625 0.778 0.667 CB 1.425 10 residues pruned to eliminate duplicates Z: 17 9.354 1.848 0.307 0.510 0.812 0.625 CB 1.179 17 residues pruned to eliminate duplicates Z: 17 11.278 1.770 0.504 0.546 0.875 0.625 CA 1.157 17 residues pruned to eliminate duplicates Z: 15 11.912 1.928 0.244 0.587 0.929 0.714 CA 1.315 15 residues pruned to eliminate duplicates Z: 10 7.530 1.818 0.424 0.610 0.778 0.667 CA 1.123 10 residues pruned to eliminate duplicates Z: 19 8.579 1.853 0.488 0.344 0.778 0.556 CA 1.118 19 residues pruned to eliminate duplicates Z: 15 11.409 1.859 0.634 0.428 0.786 0.571 CA 1.377 15 residues pruned to eliminate duplicates Z: 16 13.953 1.849 0.722 0.443 0.867 0.400 CA 1.384 16 residues pruned to eliminate duplicates Z: 16 14.222 1.784 0.783 0.470 0.933 0.533 CA 1.275 16 residues pruned to eliminate duplicates Z: 16 15.123 1.821 0.592 0.462 1.000 0.400 CB 1.399 16 residues pruned to eliminate duplicates Z: 15 14.434 1.908 0.656 0.475 0.929 0.643 CA 1.349 15 residues pruned to eliminate duplicates Z: 68 27.272 1.908 0.517 0.464 0.910 0.597 CB 1.312 68 residues pruned to eliminate duplicates Z: 22 15.092 1.876 0.660 0.514 0.857 0.667 CA 1.216 21 residues pruned to eliminate duplicates Z: 6 5.886 1.605 0.031 0.692 1.000 0.600 C 1.336 6 residues pruned to eliminate duplicates Z: 47 28.236 1.994 0.668 0.484 0.913 0.522 CB 1.394 47 residues pruned to eliminate duplicates Z: 48 28.871 1.972 0.683 0.483 0.915 0.702 CB 1.410 48 residues pruned to eliminate duplicates Z: 35 25.260 2.042 0.557 0.483 0.941 0.647 CB 1.472 35 residues pruned to eliminate duplicates Z: 39 23.596 1.980 0.632 0.449 0.868 0.605 CA 1.436 39 residues pruned to eliminate duplicates Z: 34 24.693 2.043 0.616 0.457 0.909 0.576 CB 1.496 34 residues pruned to eliminate duplicates Z: 38 23.182 1.975 0.573 0.457 0.919 0.459 CB 1.394 38 residues pruned to eliminate duplicates Z: 35 24.935 2.045 0.581 0.494 0.882 0.618 CB 1.509 35 residues pruned to eliminate duplicates Z: 36 24.821 1.981 0.702 0.613 0.857 0.571 CB 1.305 36 residues pruned to eliminate duplicates Z: 46 28.111 1.966 0.647 0.484 0.889 0.556 CB 1.480 46 residues pruned to eliminate duplicates Z: 31 20.427 1.955 0.601 0.389 0.933 0.567 CA 1.436 31 residues pruned to eliminate duplicates Z: 29 19.733 1.987 0.585 0.436 0.857 0.643 CB 1.476 29 residues pruned to eliminate duplicates Z: 38 27.445 2.007 0.706 0.498 0.892 0.676 CA 1.480 38 residues pruned to eliminate duplicates Z: 37 24.699 2.032 0.564 0.465 0.917 0.611 CB 1.464 37 residues pruned to eliminate duplicates Z: 30 25.978 2.074 0.651 0.483 0.966 0.759 CB 1.484 30 residues pruned to eliminate duplicates Z: 32 25.396 2.067 0.620 0.479 0.903 0.645 CA 1.542 32 residues pruned to eliminate duplicates Z: 37 25.161 2.014 0.593 0.487 0.889 0.722 CA 1.490 37 residues pruned to eliminate duplicates Z: 36 27.480 2.024 0.615 0.511 0.943 0.629 CB 1.490 36 residues pruned to eliminate duplicates Z: 49 27.848 1.984 0.741 0.484 0.896 0.542 CB 1.320 49 residues pruned to eliminate duplicates Z: 38 23.311 1.996 0.621 0.461 0.946 0.649 CB 1.303 38 residues pruned to eliminate duplicates Z: 37 23.974 2.033 0.588 0.467 0.889 0.639 CA 1.440 37 residues pruned to eliminate duplicates Z: 15 15.209 1.925 0.697 0.360 1.000 0.714 CA 1.447 15 residues pruned to eliminate duplicates Z: 36 24.924 2.032 0.602 0.490 0.914 0.600 CB 1.429 36 residues pruned to eliminate duplicates Z: 16 12.307 1.804 0.559 0.382 0.933 0.600 CB 1.372 16 residues pruned to eliminate duplicates Z: 37 25.732 2.038 0.630 0.477 0.889 0.556 CB 1.486 37 residues pruned to eliminate duplicates Z: 38 25.832 2.000 0.745 0.462 0.865 0.703 CA 1.463 38 residues pruned to eliminate duplicates Z: 15 16.532 1.970 0.608 0.418 1.000 0.857 CB 1.519 15 residues pruned to eliminate duplicates Z: 38 22.295 1.973 0.511 0.459 0.892 0.622 CB 1.438 38 residues pruned to eliminate duplicates Z: 30 23.418 2.053 0.683 0.457 0.931 0.621 CB 1.412 30 residues pruned to eliminate duplicates Z: 29 26.913 2.115 0.681 0.486 0.929 0.643 CB 1.564 30 residues pruned to eliminate duplicates Z: 11 11.223 1.838 0.690 0.768 0.900 0.300 CB 1.001 11 residues pruned to eliminate duplicates Z: 22 14.159 1.900 0.448 0.465 0.857 0.524 CB 1.357 22 residues pruned to eliminate duplicates Z: 57 33.071 1.994 0.767 0.490 0.929 0.518 CB 1.365 57 residues pruned to eliminate duplicates Z: 51 34.222 2.062 0.668 0.568 0.960 0.600 CB 1.373 51 residues pruned to eliminate duplicates Z: 53 30.491 1.990 0.642 0.550 0.923 0.673 CB 1.336 53 residues pruned to eliminate duplicates Z: 24 14.608 1.943 0.598 0.509 0.913 0.565 CB 1.064 24 residues pruned to eliminate duplicates Z: 51 32.165 2.027 0.698 0.522 0.900 0.320 CB 1.436 51 residues pruned to eliminate duplicates Z: 51 34.664 2.051 0.662 0.552 0.960 0.520 CB 1.424 51 residues pruned to eliminate duplicates Z: 37 14.560 1.895 0.469 0.431 0.861 0.500 CB 1.087 37 residues pruned to eliminate duplicates Z: 28 22.907 1.948 0.830 0.616 0.852 0.667 CA 1.301 28 residues pruned to eliminate duplicates Z: 29 20.578 1.928 0.533 0.581 0.893 0.536 CA 1.363 29 residues pruned to eliminate duplicates Z: 23 17.125 1.843 0.580 0.662 0.955 0.773 CA 1.130 27 residues pruned to eliminate duplicates Z: 15 15.176 1.985 0.375 0.814 1.000 0.786 CA 1.131 15 residues pruned to eliminate duplicates Z: 20 19.108 1.923 0.550 0.685 1.000 0.684 CA 1.240 22 residues pruned to eliminate duplicates Z: 14 15.609 1.974 0.503 0.890 0.923 0.692 CA 1.137 14 residues pruned to eliminate duplicates Z: 22 18.560 1.913 0.609 0.639 0.905 0.619 CB 1.276 22 residues pruned to eliminate duplicates Z: 21 20.522 1.909 0.575 0.698 0.950 0.600 CA 1.341 21 residues pruned to eliminate duplicates Z: 13 25.305 2.034 0.950 0.882 1.000 0.667 CA 1.333 13 residues pruned to eliminate duplicates Z: 14 15.740 1.967 0.599 0.871 0.846 0.462 CA 1.196 14 residues pruned to eliminate duplicates Z: 49 21.040 1.707 0.651 0.515 0.958 0.521 CB 1.108 49 residues pruned to eliminate duplicates Z: 14 22.688 1.988 0.992 0.901 0.923 0.462 CA 1.228 14 residues pruned to eliminate duplicates Z: 21 24.537 1.923 0.773 0.737 1.000 0.600 CB 1.301 21 residues pruned to eliminate duplicates Z: 22 19.372 1.901 0.587 0.681 1.000 0.714 CB 1.186 22 residues pruned to eliminate duplicates Z: 17 21.687 2.001 0.692 0.759 1.000 0.625 CA 1.272 17 residues pruned to eliminate duplicates Z: 23 19.659 1.857 0.703 0.659 0.955 0.636 CA 1.198 23 residues pruned to eliminate duplicates Z: 13 21.395 2.010 0.984 0.898 0.917 0.500 CA 1.208 13 residues pruned to eliminate duplicates Z: 35 20.985 1.928 0.676 0.590 0.853 0.471 CB 1.199 35 residues pruned to eliminate duplicates Z: 16 15.377 1.991 0.510 0.606 0.933 0.667 CA 1.279 16 residues pruned to eliminate duplicates Z: 36 22.381 1.967 0.626 0.467 0.914 0.600 CA 1.337 36 residues pruned to eliminate duplicates Z: 37 21.451 1.991 0.650 0.454 0.861 0.611 CA 1.324 37 residues pruned to eliminate duplicates Z: 22 19.870 1.944 0.656 0.637 0.857 0.762 CA 1.382 22 residues pruned to eliminate duplicates Z: 24 14.943 1.957 0.397 0.555 0.870 0.652 CA 1.243 24 residues pruned to eliminate duplicates Z: 32 18.716 1.965 0.433 0.433 0.935 0.484 CA 1.368 32 residues pruned to eliminate duplicates Z: 28 24.172 2.050 0.640 0.498 0.926 0.630 CA 1.497 28 residues pruned to eliminate duplicates Z: 22 17.873 1.956 0.533 0.616 0.857 0.571 CB 1.359 22 residues pruned to eliminate duplicates Z: 24 18.181 1.845 0.581 0.588 0.913 0.565 CB 1.308 24 residues pruned to eliminate duplicates Z: 19 13.388 1.874 0.503 0.501 0.833 0.500 CB 1.343 19 residues pruned to eliminate duplicates Z: 22 15.215 1.927 0.550 0.513 0.905 0.381 CA 1.214 22 residues pruned to eliminate duplicates Z: 80 39.290 1.986 0.745 0.493 0.924 0.506 CB 1.390 80 residues pruned to eliminate duplicates Z: 24 18.588 1.915 0.699 0.564 0.870 0.565 CB 1.287 24 residues pruned to eliminate duplicates Z: 16 10.291 1.606 0.684 0.557 0.867 0.333 CA 1.072 16 residues pruned to eliminate duplicates Z: 12 11.099 1.903 0.557 0.772 0.909 0.455 CB 0.977 12 residues pruned to eliminate duplicates Z: 11 16.959 1.833 0.995 0.920 0.900 0.500 CB 1.147 12 residues pruned to eliminate duplicates Z: 13 12.587 1.677 0.733 0.865 0.833 0.500 CB 1.099 13 residues pruned to eliminate duplicates Z: 12 13.365 1.916 0.615 0.756 0.818 0.364 CB 1.266 12 residues pruned to eliminate duplicates Z: 13 12.527 1.821 0.666 0.709 0.833 0.583 CB 1.182 13 residues pruned to eliminate duplicates Z: 11 11.186 1.786 0.744 0.883 0.800 0.500 CB 1.027 11 residues pruned to eliminate duplicates Z: 11 18.340 1.847 0.771 0.929 1.000 0.800 CB 1.241 11 residues pruned to eliminate duplicates Z: 28 8.104 1.626 0.488 0.423 0.741 0.444 CB 0.943 28 residues pruned to eliminate duplicates Z: 12 13.304 1.914 0.647 0.773 0.818 0.636 CB 1.221 12 residues pruned to eliminate duplicates Z: 11 14.309 1.820 0.865 0.875 0.900 0.500 CB 1.078 11 residues pruned to eliminate duplicates Z: 32 19.354 1.894 0.519 0.546 0.903 0.548 CA 1.279 32 residues pruned to eliminate duplicates Z: 26 26.273 2.015 0.674 0.650 0.960 0.760 CA 1.410 26 residues pruned to eliminate duplicates Z: 35 20.878 1.873 0.494 0.538 0.941 0.765 CA 1.309 35 residues pruned to eliminate duplicates Z: 33 16.861 1.931 0.262 0.547 0.906 0.656 CA 1.289 33 residues pruned to eliminate duplicates Z: 36 23.083 1.951 0.511 0.557 0.943 0.657 CA 1.328 36 residues pruned to eliminate duplicates Z: 33 16.095 1.891 0.499 0.386 0.906 0.500 CA 1.250 33 residues pruned to eliminate duplicates Z: 34 19.585 1.944 0.470 0.517 0.848 0.485 CA 1.383 34 residues pruned to eliminate duplicates Z: 33 22.612 1.943 0.486 0.550 0.969 0.594 CA 1.362 33 residues pruned to eliminate duplicates Z: 52 30.758 2.036 0.588 0.582 0.902 0.627 CA 1.365 52 residues pruned to eliminate duplicates Z: 53 32.170 1.976 0.546 0.607 0.981 0.577 CA 1.345 53 residues pruned to eliminate duplicates Z: 35 18.396 1.899 0.392 0.533 0.912 0.559 CA 1.267 35 residues pruned to eliminate duplicates Z: 14 8.533 1.934 0.186 0.363 0.923 0.538 CA 1.296 14 residues pruned to eliminate duplicates Z: 47 17.365 1.822 0.490 0.405 0.870 0.543 CA 1.199 56 residues pruned to eliminate duplicates Z: 54 27.487 1.955 0.476 0.558 0.887 0.491 CA 1.394 54 residues pruned to eliminate duplicates Z: 20 23.261 2.047 0.683 0.688 0.895 0.474 CA 1.457 20 residues pruned to eliminate duplicates Z: 21 21.911 2.055 0.605 0.673 0.900 0.550 CB 1.407 21 residues pruned to eliminate duplicates Z: 21 20.053 1.981 0.441 0.705 1.000 0.600 CA 1.304 21 residues pruned to eliminate duplicates Z: 20 24.414 2.138 0.604 0.688 0.947 0.632 CA 1.451 20 residues pruned to eliminate duplicates Z: 16 27.223 2.112 0.757 0.789 1.000 0.800 CB 1.469 16 residues pruned to eliminate duplicates Z: 21 21.083 2.058 0.371 0.708 1.000 0.650 CA 1.383 21 residues pruned to eliminate duplicates Z: 54 29.930 1.999 0.519 0.586 0.906 0.604 CA 1.377 54 residues pruned to eliminate duplicates Z: 52 31.408 2.002 0.537 0.578 0.941 0.627 CA 1.409 52 residues pruned to eliminate duplicates Z: 21 22.709 2.069 0.604 0.681 0.950 0.600 CB 1.364 21 residues pruned to eliminate duplicates Z: 53 29.545 1.995 0.542 0.550 0.923 0.538 CA 1.374 53 residues pruned to eliminate duplicates Z: 14 24.808 2.044 0.755 0.849 1.000 0.462 CA 1.422 14 residues pruned to eliminate duplicates Z: 11 25.221 2.117 1.029 0.738 0.900 0.400 CB 1.667 11 residues pruned to eliminate duplicates Z: 54 28.444 1.937 0.496 0.560 0.925 0.547 CA 1.375 54 residues pruned to eliminate duplicates Z: 52 33.545 2.036 0.547 0.606 0.941 0.627 CA 1.433 52 residues pruned to eliminate duplicates Z: 54 30.665 1.997 0.542 0.579 0.887 0.585 CB 1.429 53 residues pruned to eliminate duplicates Z: 12 24.000 2.149 1.037 0.900 1.000 0.273 CB 1.180 13 residues pruned to eliminate duplicates Z: 13 27.486 2.052 1.228 0.889 1.000 0.417 CB 1.249 12 residues pruned to eliminate duplicates Z: 18 17.559 1.876 0.448 0.790 0.941 0.706 CA 1.292 17 residues pruned to eliminate duplicates Z: 17 21.351 1.957 0.459 0.915 1.000 0.938 CA 1.322 18 residues pruned to eliminate duplicates Z: 17 21.324 2.010 0.328 0.894 1.000 0.875 CA 1.432 17 residues pruned to eliminate duplicates Z: 31 21.108 1.922 0.526 0.505 0.933 0.633 CB 1.400 31 residues pruned to eliminate duplicates Z: 25 25.619 1.998 0.612 0.637 1.000 0.625 CA 1.428 25 residues pruned to eliminate duplicates Z: 37 28.770 2.020 0.672 0.510 0.972 0.722 CB 1.447 35 residues pruned to eliminate duplicates Z: 16 19.678 2.027 0.357 0.870 0.933 0.533 CA 1.444 16 residues pruned to eliminate duplicates Z: 38 21.196 1.939 0.387 0.490 0.973 0.541 CB 1.345 38 residues pruned to eliminate duplicates Z: 37 25.784 2.029 0.548 0.471 0.972 0.583 CA 1.450 37 residues pruned to eliminate duplicates Z: 39 22.987 1.958 0.466 0.458 0.974 0.579 CA 1.393 39 residues pruned to eliminate duplicates Z: 43 21.513 1.954 0.496 0.444 0.881 0.476 CB 1.365 43 residues pruned to eliminate duplicates Z: 37 24.878 2.033 0.524 0.486 0.972 0.472 CB 1.396 37 residues pruned to eliminate duplicates Z: 37 24.114 2.018 0.496 0.479 0.944 0.444 CB 1.439 37 residues pruned to eliminate duplicates Z: 25 21.806 1.989 0.493 0.561 0.958 0.333 CA 1.475 25 residues pruned to eliminate duplicates Z: 43 22.898 1.890 0.571 0.462 0.976 0.476 CB 1.267 43 residues pruned to eliminate duplicates Z: 38 24.785 2.002 0.575 0.494 0.946 0.595 CB 1.374 38 residues pruned to eliminate duplicates Z: 49 27.332 1.945 0.621 0.459 0.938 0.562 CB 1.391 49 residues pruned to eliminate duplicates Z: 50 25.697 1.916 0.520 0.464 0.918 0.551 CB 1.423 50 residues pruned to eliminate duplicates Z: 40 19.942 1.959 0.462 0.433 0.897 0.615 CA 1.331 40 residues pruned to eliminate duplicates Z: 38 21.729 1.980 0.401 0.470 1.000 0.541 CB 1.328 38 residues pruned to eliminate duplicates Z: 39 24.093 1.963 0.454 0.519 0.974 0.684 CA 1.380 39 residues pruned to eliminate duplicates Z: 38 25.362 1.999 0.628 0.473 0.919 0.595 CB 1.434 38 residues pruned to eliminate duplicates Z: 37 22.864 1.988 0.647 0.486 0.889 0.556 CB 1.327 37 residues pruned to eliminate duplicates Z: 37 25.195 2.019 0.552 0.507 0.944 0.556 CB 1.409 37 residues pruned to eliminate duplicates Z: 70 24.892 1.924 0.370 0.419 0.928 0.493 CB 1.333 70 residues pruned to eliminate duplicates Z: 38 23.491 1.998 0.577 0.492 0.892 0.541 CB 1.386 38 residues pruned to eliminate duplicates Z: 36 24.323 2.009 0.460 0.537 0.943 0.543 CB 1.433 36 residues pruned to eliminate duplicates Z: 80 31.585 1.943 0.493 0.513 0.873 0.608 CB 1.385 80 residues pruned to eliminate duplicates Z: 44 22.340 1.899 0.562 0.464 0.884 0.535 CA 1.348 43 residues pruned to eliminate duplicates Z: 8 2.584 1.425 0.120 0.261 0.857 0.571 O 0.939 8 residues pruned to eliminate duplicates Z: 47 22.421 1.887 0.545 0.405 0.891 0.500 CB 1.405 56 residues pruned to eliminate duplicates Z: 13 13.681 1.745 0.422 0.911 1.000 0.833 CB 1.128 13 residues pruned to eliminate duplicates Z: 13 13.076 1.890 0.486 0.781 0.917 0.667 CB 1.144 13 residues pruned to eliminate duplicates Z: 12 13.726 1.831 0.500 0.838 0.909 0.727 CB 1.239 12 residues pruned to eliminate duplicates Z: 13 14.658 1.852 0.615 0.744 0.917 0.833 CB 1.241 13 residues pruned to eliminate duplicates Z: 13 15.192 1.873 0.700 0.762 0.917 0.833 CB 1.190 13 residues pruned to eliminate duplicates Z: 14 13.280 1.814 0.332 0.840 1.000 0.769 CB 1.138 14 residues pruned to eliminate duplicates Z: 15 11.980 1.750 0.443 0.664 0.929 0.643 CA 1.173 15 residues pruned to eliminate duplicates Z: 20 17.924 1.765 0.666 0.738 1.000 0.842 CA 1.129 22 residues pruned to eliminate duplicates Z: 13 16.981 1.798 0.794 0.934 1.000 1.000 CA 1.060 14 residues pruned to eliminate duplicates Z: 13 15.736 1.782 0.604 0.912 1.000 0.833 CA 1.126 13 residues pruned to eliminate duplicates Z: 7 9.302 1.973 0.421 0.682 0.833 0.667 CA 1.376 7 residues pruned to eliminate duplicates Z: 27 12.091 1.772 0.533 0.351 0.808 0.500 CB 1.270 32 residues pruned to eliminate duplicates Z: 6 4.507 1.695 0.437 0.612 0.800 0.200 CA 0.930 6 residues pruned to eliminate duplicates Z: 16 12.028 1.927 0.508 0.452 0.867 0.533 CA 1.295 16 residues pruned to eliminate duplicates Z: 16 12.507 1.892 0.522 0.463 1.000 0.733 CA 1.164 16 residues pruned to eliminate duplicates Z: 18 15.847 1.875 0.554 0.526 1.000 0.706 CB 1.287 18 residues pruned to eliminate duplicates Z: 11 10.619 1.858 0.637 0.573 1.000 0.700 CA 1.029 11 residues pruned to eliminate duplicates Z: 13 10.849 1.771 0.581 0.537 1.000 0.750 CA 1.079 13 residues pruned to eliminate duplicates Z: 18 33.141 2.102 0.904 0.816 0.941 0.353 CA 1.621 18 residues pruned to eliminate duplicates Z: 19 31.737 2.137 0.908 0.740 0.944 0.667 CA 1.567 19 residues pruned to eliminate duplicates Z: 17 23.897 2.124 0.486 0.743 1.000 0.812 CA 1.524 17 residues pruned to eliminate duplicates Z: 19 20.574 2.012 0.732 0.676 0.889 0.722 CA 1.332 19 residues pruned to eliminate duplicates Z: 22 24.649 2.041 0.563 0.671 0.905 0.714 CA 1.592 22 residues pruned to eliminate duplicates Z: 18 28.921 2.177 0.825 0.715 0.882 0.529 CA 1.647 18 residues pruned to eliminate duplicates Z: 22 28.870 2.171 0.832 0.645 0.952 0.619 CA 1.452 22 residues pruned to eliminate duplicates Z: 17 37.192 2.212 1.088 0.731 1.000 0.562 CA 1.635 17 residues pruned to eliminate duplicates Z: 52 34.452 2.033 0.751 0.563 0.882 0.529 CB 1.445 52 residues pruned to eliminate duplicates Z: 19 29.613 2.040 0.912 0.664 0.944 0.611 CA 1.628 19 residues pruned to eliminate duplicates Z: 49 32.706 2.047 0.613 0.623 0.938 0.604 CB 1.357 49 residues pruned to eliminate duplicates Z: 20 28.591 2.085 0.697 0.718 0.947 0.579 CA 1.607 20 residues pruned to eliminate duplicates Z: 34 29.577 2.086 0.714 0.570 0.939 0.606 CA 1.433 34 residues pruned to eliminate duplicates Z: 68 40.356 2.011 0.748 0.596 0.910 0.567 CB 1.405 68 residues pruned to eliminate duplicates Z: 52 35.446 2.052 0.714 0.563 0.961 0.471 CB 1.381 52 residues pruned to eliminate duplicates Z: 18 13.594 1.987 0.454 0.394 1.000 0.706 CB 1.276 18 residues pruned to eliminate duplicates Z: 42 32.565 2.076 0.720 0.560 0.902 0.439 CB 1.490 42 residues pruned to eliminate duplicates Z: 33 33.954 2.118 0.795 0.579 0.969 0.688 CA 1.510 33 residues pruned to eliminate duplicates Z: 37 30.416 2.022 0.831 0.536 0.889 0.389 CA 1.486 37 residues pruned to eliminate duplicates Z: 78 43.574 2.060 0.778 0.544 0.896 0.506 CB 1.450 77 residues pruned to eliminate duplicates Z: 7 9.260 1.814 0.985 0.472 0.833 0.667 CA 1.297 7 residues pruned to eliminate duplicates Z: 51 33.605 2.050 0.640 0.544 0.960 0.640 CB 1.411 51 residues pruned to eliminate duplicates Z: 17 24.806 2.065 0.716 0.919 1.000 0.938 CA 1.233 17 residues pruned to eliminate duplicates Z: 6 3.443 1.881 0.758 0.294 0.800 0.600 CB 0.732 6 residues pruned to eliminate duplicates Z: 34 28.720 2.072 0.735 0.526 0.970 0.606 CB 1.398 34 residues pruned to eliminate duplicates Z: 48 31.273 2.085 0.613 0.556 0.957 0.574 CB 1.342 48 residues pruned to eliminate duplicates Z: 32 29.492 2.125 0.694 0.557 1.000 0.710 CB 1.393 32 residues pruned to eliminate duplicates Z: 53 31.826 2.076 0.623 0.551 0.942 0.615 CB 1.323 53 residues pruned to eliminate duplicates Z: 57 33.150 2.058 0.670 0.529 0.929 0.518 CB 1.348 57 residues pruned to eliminate duplicates Z: 35 26.055 2.069 0.696 0.503 1.000 0.559 CB 1.269 35 residues pruned to eliminate duplicates Z: 32 25.159 2.084 0.713 0.516 0.935 0.645 CB 1.333 32 residues pruned to eliminate duplicates Z: 38 23.621 2.017 0.572 0.483 0.919 0.459 CB 1.355 38 residues pruned to eliminate duplicates Z: 33 26.779 2.117 0.622 0.520 0.938 0.688 CB 1.441 33 residues pruned to eliminate duplicates Z: 35 26.050 2.077 0.705 0.507 0.882 0.471 CB 1.419 35 residues pruned to eliminate duplicates Z: 45 30.316 2.118 0.681 0.502 0.955 0.568 CB 1.342 45 residues pruned to eliminate duplicates Z: 22 29.069 2.117 0.852 0.626 0.952 0.524 CB 1.508 22 residues pruned to eliminate duplicates Z: 36 25.556 2.020 0.853 0.467 0.914 0.486 CB 1.305 36 residues pruned to eliminate duplicates Z: 33 31.629 2.123 0.799 0.538 0.969 0.625 CB 1.456 33 residues pruned to eliminate duplicates Z: 32 24.906 2.012 0.591 0.528 0.968 0.677 CA 1.405 32 residues pruned to eliminate duplicates Z: 35 31.126 2.101 0.838 0.514 0.971 0.618 CB 1.405 35 residues pruned to eliminate duplicates Z: 52 34.550 2.103 0.666 0.550 0.980 0.608 CB 1.342 52 residues pruned to eliminate duplicates Z: 29 23.466 2.049 0.649 0.573 0.964 0.679 CA 1.269 29 residues pruned to eliminate duplicates Z: 36 28.659 2.049 0.700 0.513 0.943 0.543 CB 1.457 36 residues pruned to eliminate duplicates Z: 27 29.095 2.093 0.624 0.659 1.000 0.654 CB 1.449 27 residues pruned to eliminate duplicates Z: 35 27.719 2.052 0.694 0.535 0.941 0.647 CB 1.404 35 residues pruned to eliminate duplicates Z: 48 33.034 2.085 0.594 0.578 0.936 0.638 CB 1.437 48 residues pruned to eliminate duplicates Z: 33 28.830 2.101 0.738 0.555 0.938 0.656 CB 1.411 33 residues pruned to eliminate duplicates Z: 27 26.232 2.130 0.641 0.524 0.923 0.538 CB 1.557 27 residues pruned to eliminate duplicates Z: 34 30.422 2.094 0.786 0.526 0.939 0.545 CB 1.469 34 residues pruned to eliminate duplicates Z: 54 34.876 2.088 0.626 0.558 0.943 0.623 CB 1.414 54 residues pruned to eliminate duplicates Z: 36 27.205 2.030 0.728 0.523 0.886 0.514 CB 1.447 36 residues pruned to eliminate duplicates Z: 37 26.734 2.049 0.612 0.518 0.917 0.639 CB 1.446 37 residues pruned to eliminate duplicates Z: 36 29.315 2.062 0.658 0.537 0.943 0.629 CB 1.482 36 residues pruned to eliminate duplicates Z: 10 4.384 1.833 0.162 0.239 0.667 0.556 CB 1.392 10 residues pruned to eliminate duplicates Z: 37 25.159 2.047 0.575 0.511 0.889 0.556 CB 1.447 37 residues pruned to eliminate duplicates Z: 37 25.218 1.980 0.585 0.553 0.917 0.667 CB 1.388 37 residues pruned to eliminate duplicates Z: 24 17.463 1.910 0.438 0.611 0.913 0.696 CA 1.307 24 residues pruned to eliminate duplicates Z: 10 10.498 1.969 0.373 0.613 0.889 0.778 CB 1.309 10 residues pruned to eliminate duplicates Z: 26 14.643 1.919 0.392 0.554 0.840 0.640 CB 1.239 26 residues pruned to eliminate duplicates Z: 47 29.700 2.014 0.610 0.525 0.935 0.565 CA 1.410 47 residues pruned to eliminate duplicates Z: 50 22.925 1.923 0.445 0.474 0.898 0.592 CB 1.347 43 residues pruned to eliminate duplicates Z: 12 8.518 1.879 0.373 0.646 0.909 0.636 CA 0.955 12 residues pruned to eliminate duplicates Z: 25 17.857 1.945 0.448 0.521 0.917 0.667 CB 1.383 25 residues pruned to eliminate duplicates Z: 26 20.382 1.991 0.568 0.586 0.920 0.560 CB 1.307 26 residues pruned to eliminate duplicates Z: 24 24.820 2.041 0.738 0.623 0.957 0.565 CB 1.358 24 residues pruned to eliminate duplicates Z: 19 26.295 2.100 0.606 0.745 1.000 0.611 CB 1.476 19 residues pruned to eliminate duplicates Z: 29 21.031 1.933 0.558 0.564 0.893 0.500 CB 1.389 29 residues pruned to eliminate duplicates Z: 20 22.698 2.062 0.680 0.675 0.895 0.421 CB 1.429 20 residues pruned to eliminate duplicates Z: 24 21.224 1.996 0.628 0.598 0.957 0.522 CB 1.296 24 residues pruned to eliminate duplicates Z: 20 23.056 2.082 0.630 0.684 0.947 0.526 CB 1.390 20 residues pruned to eliminate duplicates Z: 20 20.922 2.053 0.637 0.677 0.895 0.632 CB 1.356 20 residues pruned to eliminate duplicates Z: 54 37.985 2.062 0.757 0.569 0.925 0.604 CB 1.457 54 residues pruned to eliminate duplicates Z: 25 15.618 1.787 0.482 0.573 0.875 0.625 CB 1.281 25 residues pruned to eliminate duplicates Z: 27 13.753 1.674 0.467 0.531 0.885 0.577 CB 1.205 27 residues pruned to eliminate duplicates Z: 26 13.587 1.698 0.329 0.582 0.920 0.680 CB 1.209 26 residues pruned to eliminate duplicates Z: 13 12.935 1.936 0.298 0.810 0.917 0.667 CA 1.238 13 residues pruned to eliminate duplicates Z: 17 13.649 1.744 0.829 0.624 0.875 0.625 CA 1.088 17 residues pruned to eliminate duplicates Z: 19 13.644 1.776 0.562 0.556 0.889 0.611 CA 1.235 19 residues pruned to eliminate duplicates Z: 16 12.417 1.801 0.359 0.653 0.933 0.600 CB 1.217 16 residues pruned to eliminate duplicates Z: 27 15.982 1.738 0.521 0.571 0.885 0.500 CB 1.251 27 residues pruned to eliminate duplicates Z: 15 14.937 1.764 0.857 0.747 0.857 0.571 CA 1.141 15 residues pruned to eliminate duplicates Z: 16 15.718 1.732 0.787 0.648 1.000 0.533 CA 1.142 16 residues pruned to eliminate duplicates Z: 15 11.261 1.939 0.447 0.309 0.929 0.571 CB 1.428 15 residues pruned to eliminate duplicates Z: 16 11.680 1.952 0.483 0.370 0.933 0.800 CB 1.283 16 residues pruned to eliminate duplicates Z: 15 14.479 1.954 0.507 0.401 1.000 0.714 CB 1.459 15 residues pruned to eliminate duplicates Z: 15 13.091 1.961 0.549 0.333 1.000 0.857 CB 1.382 15 residues pruned to eliminate duplicates Z: 15 15.396 1.953 0.551 0.405 1.000 0.786 CB 1.501 15 residues pruned to eliminate duplicates Z: 15 14.693 1.956 0.614 0.338 1.000 0.929 CA 1.484 15 residues pruned to eliminate duplicates Z: 15 14.235 1.954 0.589 0.350 1.000 0.571 CB 1.441 15 residues pruned to eliminate duplicates Z: 13 12.248 2.010 0.491 0.349 1.000 0.583 CB 1.389 13 residues pruned to eliminate duplicates Z: 15 12.340 1.948 0.459 0.389 0.929 0.714 CB 1.405 15 residues pruned to eliminate duplicates Z: 16 10.336 1.842 0.502 0.367 0.867 0.600 CB 1.284 16 residues pruned to eliminate duplicates Z: 25 12.091 1.796 0.354 0.422 0.833 0.542 CB 1.321 25 residues pruned to eliminate duplicates Z: 9 12.425 1.867 0.317 0.665 1.000 0.750 CA 1.533 9 residues pruned to eliminate duplicates Z: 10 10.196 1.860 0.386 0.610 0.889 0.778 CB 1.336 10 residues pruned to eliminate duplicates Z: 21 13.268 1.815 0.447 0.435 0.950 0.550 CB 1.272 20 residues pruned to eliminate duplicates Z: 8 6.972 1.806 0.101 0.685 0.857 0.286 CA 1.304 8 residues pruned to eliminate duplicates Z: 18 16.644 1.916 0.531 0.467 1.000 0.588 CB 1.423 18 residues pruned to eliminate duplicates Z: 9 11.189 1.893 0.510 0.543 1.000 0.625 CA 1.327 9 residues pruned to eliminate duplicates Z: 23 13.383 1.855 0.418 0.382 0.909 0.591 CB 1.354 23 residues pruned to eliminate duplicates Z: 23 15.039 1.864 0.447 0.436 0.909 0.727 CB 1.397 24 residues pruned to eliminate duplicates Z: 6 3.688 1.693 0.522 0.292 0.800 0.200 CB 1.010 Z: 11 9.362 1.812 0.586 0.524 0.800 0.500 CB 1.257 17 residues pruned to eliminate duplicates Z: 19 13.611 1.824 0.547 0.357 0.944 0.667 CB 1.404 19 residues pruned to eliminate duplicates Z: 22 11.186 1.713 0.317 0.387 0.905 0.476 CB 1.348 22 residues pruned to eliminate duplicates Z: 17 13.857 1.870 0.499 0.370 1.000 0.625 CA 1.421 17 residues pruned to eliminate duplicates Z: 21 10.413 1.789 0.389 0.378 0.800 0.600 CB 1.334 21 residues pruned to eliminate duplicates Z: 19 10.010 1.763 0.357 0.340 0.889 0.556 CB 1.320 19 residues pruned to eliminate duplicates Z: 24 14.390 1.790 0.533 0.405 0.870 0.348 CB 1.389 24 residues pruned to eliminate duplicates Z: 41 29.835 2.035 0.635 0.621 0.875 0.575 CA 1.446 41 residues pruned to eliminate duplicates Z: 59 32.497 2.011 0.643 0.552 0.914 0.586 CB 1.344 98 residues pruned to eliminate duplicates Z: 10 15.857 1.961 0.478 0.885 0.889 0.444 CA 1.481 10 residues pruned to eliminate duplicates Z: 39 31.658 2.092 0.532 0.624 0.947 0.605 CA 1.504 39 residues pruned to eliminate duplicates Z: 43 29.577 2.018 0.671 0.604 0.857 0.548 CB 1.430 43 residues pruned to eliminate duplicates Z: 61 37.807 2.020 0.562 0.636 0.950 0.667 CA 1.433 62 residues pruned to eliminate duplicates Z: 13 20.295 2.013 0.587 0.816 0.917 0.333 CB 1.520 13 residues pruned to eliminate duplicates Z: 53 32.998 2.004 0.667 0.585 0.942 0.577 CB 1.339 53 residues pruned to eliminate duplicates Z: 41 31.131 2.039 0.665 0.617 0.900 0.600 CA 1.442 41 residues pruned to eliminate duplicates Z: 22 16.689 1.893 0.520 0.615 0.905 0.429 CB 1.254 18 residues pruned to eliminate duplicates Z: 13 21.723 1.989 0.719 0.817 0.917 0.583 CA 1.519 13 residues pruned to eliminate duplicates Z: 38 32.447 2.073 0.575 0.661 0.919 0.622 CB 1.531 38 residues pruned to eliminate duplicates Z: 38 31.378 2.090 0.565 0.656 0.919 0.676 CB 1.485 38 residues pruned to eliminate duplicates Z: 39 31.200 2.079 0.527 0.635 0.947 0.658 CB 1.482 39 residues pruned to eliminate duplicates Z: 61 35.164 2.007 0.536 0.620 0.933 0.583 CB 1.409 61 residues pruned to eliminate duplicates Z: 45 25.449 1.933 0.638 0.530 0.864 0.477 CB 1.362 45 residues pruned to eliminate duplicates Z: 40 33.653 2.065 0.717 0.600 0.923 0.538 CB 1.497 40 residues pruned to eliminate duplicates Z: 59 31.890 1.983 0.543 0.549 0.948 0.552 CB 1.377 59 residues pruned to eliminate duplicates Z: 22 22.129 2.133 0.392 0.619 0.952 0.714 CB 1.527 22 residues pruned to eliminate duplicates Z: 75 39.830 2.027 0.691 0.582 0.919 0.568 CB 1.359 75 residues pruned to eliminate duplicates Z: 41 30.438 2.043 0.540 0.587 0.925 0.575 CB 1.521 41 residues pruned to eliminate duplicates Z: 37 26.807 2.071 0.559 0.622 0.861 0.611 CB 1.433 37 residues pruned to eliminate duplicates Z: 30 23.505 2.026 0.605 0.584 0.931 0.552 CB 1.330 30 residues pruned to eliminate duplicates Z: 39 23.960 1.992 0.604 0.577 0.868 0.579 CB 1.301 39 residues pruned to eliminate duplicates Z: 29 20.883 2.035 0.397 0.555 0.929 0.536 CB 1.417 29 residues pruned to eliminate duplicates Z: 61 31.195 1.976 0.585 0.583 0.883 0.567 CB 1.344 61 residues pruned to eliminate duplicates Z: 30 20.442 2.026 0.388 0.557 0.862 0.621 CB 1.481 30 residues pruned to eliminate duplicates Z: 42 29.541 1.954 0.639 0.593 0.927 0.561 CA 1.422 42 residues pruned to eliminate duplicates Z: 39 23.473 2.004 0.507 0.559 0.868 0.605 CB 1.371 39 residues pruned to eliminate duplicates Z: 33 33.959 2.104 0.650 0.618 0.969 0.625 CB 1.597 33 residues pruned to eliminate duplicates Z: 31 23.069 2.003 0.556 0.522 0.900 0.433 CB 1.469 31 residues pruned to eliminate duplicates Z: 63 36.237 1.988 0.566 0.631 0.952 0.629 CB 1.373 63 residues pruned to eliminate duplicates Z: 40 36.965 2.081 0.782 0.629 0.949 0.564 CB 1.490 40 residues pruned to eliminate duplicates Z: 78 35.987 1.947 0.631 0.588 0.857 0.506 CB 1.385 98 residues pruned to eliminate duplicates Z: 14 23.839 2.086 0.714 0.855 0.923 0.538 CA 1.479 14 residues pruned to eliminate duplicates Z: 39 37.936 2.037 0.797 0.640 0.974 0.605 CB 1.515 39 residues pruned to eliminate duplicates Z: 39 37.704 2.074 0.838 0.672 0.895 0.553 CB 1.530 39 residues pruned to eliminate duplicates Z: 37 27.560 1.989 0.570 0.626 0.889 0.583 CA 1.470 37 residues pruned to eliminate duplicates Z: 6 7.621 1.685 0.723 0.667 1.000 0.600 CB 1.006 6 residues pruned to eliminate duplicates Z: 6 5.572 1.635 0.765 0.765 0.800 0.800 CB 0.853 6 residues pruned to eliminate duplicates Z: 6 6.868 1.683 0.986 0.753 1.000 0.800 CB 0.733 6 residues pruned to eliminate duplicates Z: 9 5.818 1.861 0.285 0.301 0.875 0.250 CA 1.228 9 residues pruned to eliminate duplicates Z: 10 4.161 1.615 0.593 0.225 0.667 0.333 CA 1.115 10 residues pruned to eliminate duplicates Z: 30 12.842 1.821 0.466 0.339 0.828 0.483 CB 1.287 41 residues pruned to eliminate duplicates Z: 11 3.714 1.749 0.461 0.248 0.600 0.300 CB 1.024 Z: 7 8.212 1.799 0.394 0.595 0.833 0.333 CB 1.465 8 residues pruned to eliminate duplicates Z: 7 6.120 1.713 0.373 0.451 0.833 0.333 CB 1.340 7 residues pruned to eliminate duplicates Z: 8 9.185 1.779 0.394 0.480 1.000 0.571 CA 1.428 8 residues pruned to eliminate duplicates Z: 11 9.814 1.693 0.573 0.464 0.900 0.600 CA 1.342 10 residues pruned to eliminate duplicates Z: 7 5.802 1.576 0.698 0.512 0.667 0.333 CB 1.313 7 residues pruned to eliminate duplicates Z: 10 7.360 1.743 0.609 0.407 0.778 0.556 CB 1.241 10 residues pruned to eliminate duplicates Z: 17 7.472 1.570 0.438 0.375 0.875 0.562 CB 1.081 19 residues pruned to eliminate duplicates Z: 6 5.360 1.474 0.625 0.768 1.000 0.600 CB 0.789 6 residues pruned to eliminate duplicates Z: 12 8.450 1.552 0.445 0.546 1.000 0.818 CB 1.086 12 residues pruned to eliminate duplicates Z: 13 6.424 1.614 0.231 0.398 1.000 0.417 CB 1.039 13 residues pruned to eliminate duplicates Z: 12 5.250 1.643 0.202 0.409 0.818 0.636 CB 1.077 12 residues pruned to eliminate duplicates Z: 7 4.393 1.480 0.312 0.608 1.000 0.500 CB 0.833 7 residues pruned to eliminate duplicates Z: 15 8.302 1.605 0.415 0.513 0.857 0.429 CA 1.125 15 residues pruned to eliminate duplicates Z: 9 4.294 1.366 0.506 0.647 1.000 0.500 CB 0.643 9 residues pruned to eliminate duplicates Z: 9 6.836 1.819 0.224 0.517 0.750 0.500 N 1.424 Z: 8 11.354 1.835 0.614 0.746 0.857 0.571 CA 1.357 7 residues pruned to eliminate duplicates Z: 7 11.218 1.900 0.449 0.771 1.000 0.667 CA 1.308 7 residues pruned to eliminate duplicates Z: 10 8.686 1.813 0.557 0.458 0.778 0.222 N 1.377 10 residues pruned to eliminate duplicates Z: 8 11.510 1.807 0.608 0.814 1.000 0.429 CA 1.140 10 residues pruned to eliminate duplicates Z: 8 8.746 1.783 0.362 0.837 1.000 0.571 CA 1.018 8 residues pruned to eliminate duplicates Z: 11 11.269 1.701 0.784 0.588 0.900 0.600 CB 1.200 10 residues pruned to eliminate duplicates Z: 6 3.524 1.448 0.969 0.335 0.800 0.600 N 0.827 Z: 6 3.634 1.482 0.127 0.399 1.000 0.600 N 1.082 7 1.715 1.090 0.332 0.717 0.833 0.333 CB 0.475 ? Z: 16 15.432 1.893 0.635 0.713 0.867 0.400 CA 1.225 16 residues pruned to eliminate duplicates Z: 14 9.982 1.882 0.616 0.429 0.846 0.692 CA 1.159 14 residues pruned to eliminate duplicates Z: 15 14.255 2.050 0.565 0.592 0.786 0.357 CB 1.384 15 residues pruned to eliminate duplicates Z: 38 20.842 1.966 0.608 0.456 0.892 0.568 CB 1.272 29 residues pruned to eliminate duplicates Z: 16 14.569 1.798 0.796 0.759 0.933 0.467 CA 0.991 16 residues pruned to eliminate duplicates Z: 38 24.320 1.963 0.721 0.468 0.919 0.649 CB 1.331 38 residues pruned to eliminate duplicates Z: 13 15.362 1.933 0.747 0.780 0.917 0.583 CA 1.119 13 residues pruned to eliminate duplicates Z: 21 19.090 1.963 0.658 0.536 0.950 0.550 CA 1.334 21 residues pruned to eliminate duplicates Z: 45 18.678 1.941 0.590 0.372 0.864 0.545 CB 1.212 45 residues pruned to eliminate duplicates Z: 26 18.169 1.936 0.779 0.476 0.840 0.520 CA 1.288 26 residues pruned to eliminate duplicates Z: 44 22.029 1.863 0.630 0.458 0.930 0.628 CA 1.241 77 residues pruned to eliminate duplicates Z: 14 14.589 1.781 0.731 0.716 0.923 0.615 CA 1.169 14 residues pruned to eliminate duplicates Z: 31 21.304 1.875 0.781 0.563 0.867 0.600 CB 1.265 31 residues pruned to eliminate duplicates Z: 16 8.521 1.724 0.458 0.334 0.867 0.400 CB 1.211 16 residues pruned to eliminate duplicates Z: 15 8.788 1.806 0.234 0.394 0.929 0.429 CB 1.269 15 residues pruned to eliminate duplicates Z: 13 10.106 1.831 0.352 0.357 1.000 0.667 CB 1.375 13 residues pruned to eliminate duplicates Z: 37 25.218 1.882 0.618 0.643 0.944 0.583 CB 1.279 37 residues pruned to eliminate duplicates Z: 23 17.673 1.918 0.466 0.566 0.909 0.500 CB 1.382 23 residues pruned to eliminate duplicates Z: 26 11.085 1.693 0.297 0.376 0.840 0.440 CB 1.371 26 residues pruned to eliminate duplicates Z: 26 12.263 1.701 0.363 0.485 0.880 0.560 CB 1.220 26 residues pruned to eliminate duplicates 821 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 16 D: 6 E: 9 F: 12 G: 30 H: 136 I: 18 J: 24 K: 60 L: 60 M: 11 N: 59 O: 105 P: 9 Q: 189 R: 9 S: 54 CC for partial structure against native data = 44.47 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.383, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.721 for dens.mod. cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.531, Connect. = 0.754 for dens.mod. cycle 4 = 0.300, Contrast = 0.539, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.541, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.545, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.546, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.548, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.548, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5685 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1259 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 18.905 1.979 0.415 0.870 0.933 0.667 CA 1.363 B: 13 30.968 2.097 0.804 0.925 1.000 0.833 CA 1.658 C: 14 20.748 2.000 0.551 0.852 0.923 0.769 CB 1.486 D: 12 11.655 1.818 0.450 0.665 0.909 0.545 CA 1.259 E: 14 17.283 1.965 0.308 0.856 0.923 0.923 CB 1.490 14 residues pruned to eliminate duplicates F: 12 19.652 2.166 0.457 0.866 0.909 0.545 CB 1.511 12 residues pruned to eliminate duplicates G: 13 22.533 2.160 0.442 0.871 1.000 0.750 CA 1.523 H: 13 13.990 1.902 0.517 0.835 0.917 0.667 CA 1.144 I: 13 20.323 2.098 0.378 0.901 0.917 0.583 CA 1.581 13 residues pruned to eliminate duplicates J: 7 7.076 2.004 -0.090 0.883 0.833 0.500 CB 1.375 K: 12 18.550 2.180 0.334 0.871 1.000 0.818 CA 1.402 12 residues pruned to eliminate duplicates L: 14 17.936 2.044 0.416 0.859 1.000 0.846 CA 1.265 14 residues pruned to eliminate duplicates M: 12 18.546 1.873 1.028 0.780 0.909 0.545 CB 1.266 N: 12 23.604 2.184 0.569 0.853 1.000 0.818 CA 1.535 12 residues pruned to eliminate duplicates O: 13 15.620 1.761 0.538 0.912 1.000 0.917 CB 1.179 P: 14 15.719 1.906 0.540 0.824 1.000 0.769 CA 1.122 12 residues pruned to eliminate duplicates Q: 13 21.077 2.023 0.749 0.885 1.000 0.833 CB 1.242 R: 13 19.106 2.075 0.362 0.865 1.000 0.667 CA 1.430 13 residues pruned to eliminate duplicates S: 14 16.247 1.959 0.316 0.818 0.846 0.769 CB 1.567 14 residues pruned to eliminate duplicates T: 11 21.334 2.004 0.650 0.918 1.000 0.800 CA 1.439 U: 12 17.728 2.140 0.427 0.865 0.909 0.909 CA 1.410 12 residues pruned to eliminate duplicates V: 13 18.085 2.052 0.215 0.882 1.000 0.667 CA 1.515 13 residues pruned to eliminate duplicates W: 16 21.064 1.909 0.468 0.901 0.933 0.667 CA 1.484 X: 13 18.219 2.167 0.481 0.839 0.833 0.583 CA 1.469 Y: 13 14.874 1.962 0.220 0.848 1.000 0.917 CA 1.330 13 residues pruned to eliminate duplicates Z: 13 24.027 2.143 0.565 0.855 1.000 0.833 CA 1.526 13 residues pruned to eliminate duplicates Z: 14 21.671 1.836 0.723 0.844 1.000 0.615 CA 1.413 13 residues pruned to eliminate duplicates Z: 10 15.647 1.728 0.920 0.911 1.000 0.889 CA 1.114 9 residues pruned to eliminate duplicates Z: 13 21.727 2.139 0.716 0.842 0.917 0.667 CA 1.389 Z: 12 23.089 2.086 0.613 0.904 1.000 0.455 CB 1.474 Z: 39 23.916 2.055 0.498 0.426 0.921 0.632 CA 1.478 13 residues pruned to eliminate duplicates Z: 60 27.767 1.979 0.494 0.478 0.881 0.559 CA 1.419 39 residues pruned to eliminate duplicates Z: 14 24.190 1.968 0.740 0.909 1.000 0.615 CB 1.390 14 residues pruned to eliminate duplicates Z: 13 27.506 2.047 0.715 0.907 1.000 0.750 CB 1.608 13 residues pruned to eliminate duplicates Z: 7 8.098 1.871 -0.026 0.887 1.000 0.833 CA 1.307 7 residues pruned to eliminate duplicates Z: 14 25.589 2.053 0.824 0.910 1.000 0.846 CA 1.345 12 residues pruned to eliminate duplicates Z: 12 20.863 2.159 0.552 0.853 1.000 0.545 CB 1.387 12 residues pruned to eliminate duplicates Z: 18 21.640 1.866 0.506 0.845 1.000 0.765 CA 1.389 16 residues pruned to eliminate duplicates Z: 13 13.465 1.785 0.587 0.718 0.917 0.500 CA 1.229 Z: 12 23.384 2.149 0.596 0.880 1.000 0.727 CB 1.489 14 residues pruned to eliminate duplicates Z: 16 22.585 1.962 0.540 0.858 1.000 0.733 CA 1.422 17 residues pruned to eliminate duplicates Z: 10 19.430 1.858 1.107 0.826 0.889 0.778 CA 1.404 Z: 12 18.705 2.077 0.444 0.846 1.000 0.818 CA 1.397 12 residues pruned to eliminate duplicates Z: 15 22.232 1.975 0.520 0.871 1.000 0.571 CA 1.444 15 residues pruned to eliminate duplicates Z: 14 25.391 1.974 0.670 0.884 1.000 0.538 CA 1.544 Z: 17 24.381 1.833 0.739 0.850 1.000 0.688 CA 1.416 17 residues pruned to eliminate duplicates Z: 11 18.778 2.114 0.454 0.893 1.000 0.900 CB 1.387 11 residues pruned to eliminate duplicates Z: 14 24.700 2.027 0.638 0.911 1.000 0.615 CA 1.462 16 residues pruned to eliminate duplicates Z: 10 10.022 1.813 0.114 0.887 1.000 0.889 CB 1.192 10 residues pruned to eliminate duplicates Z: 42 35.101 2.062 0.647 0.621 0.951 0.463 CA 1.515 26 residues pruned to eliminate duplicates Z: 15 21.943 2.005 0.580 0.877 0.929 0.929 CA 1.447 15 residues pruned to eliminate duplicates Z: 6 10.303 2.163 0.152 0.718 1.000 0.600 CA 1.519 6 residues pruned to eliminate duplicates Z: 13 25.217 2.083 0.614 0.898 1.000 0.833 CB 1.549 Z: 8 7.457 1.775 0.355 0.467 1.000 0.714 CB 1.212 Z: 15 20.624 2.052 0.675 0.904 0.929 0.571 CA 1.230 14 residues pruned to eliminate duplicates Z: 17 10.360 1.920 0.341 0.371 0.938 0.500 CB 1.233 Z: 7 8.675 2.059 0.038 0.837 0.833 0.500 CB 1.488 7 residues pruned to eliminate duplicates Z: 14 23.726 1.981 0.718 0.911 1.000 0.923 CB 1.370 14 residues pruned to eliminate duplicates Z: 21 15.734 1.991 0.525 0.452 0.900 0.350 CB 1.353 Z: 13 15.204 2.102 0.417 0.892 0.917 0.667 CA 1.155 13 residues pruned to eliminate duplicates Z: 18 20.561 1.816 0.499 0.833 0.941 0.647 CA 1.461 18 residues pruned to eliminate duplicates Z: 14 22.076 1.959 0.640 0.883 1.000 0.692 CA 1.378 14 residues pruned to eliminate duplicates Z: 16 20.201 1.962 0.560 0.854 0.933 0.733 CA 1.349 16 residues pruned to eliminate duplicates Z: 13 23.091 2.140 0.587 0.844 0.917 0.667 CA 1.593 13 residues pruned to eliminate duplicates Z: 14 21.962 1.948 0.695 0.907 0.923 0.692 CB 1.421 14 residues pruned to eliminate duplicates Z: 15 26.342 2.213 0.544 0.919 1.000 0.714 CA 1.453 Z: 12 22.468 2.117 0.545 0.868 1.000 0.727 CA 1.514 12 residues pruned to eliminate duplicates Z: 14 24.739 2.120 0.739 0.901 1.000 0.692 CA 1.328 14 residues pruned to eliminate duplicates Z: 21 7.953 1.775 0.645 0.241 0.700 0.500 CA 1.174 Z: 15 19.531 1.897 0.614 0.913 0.929 0.857 CB 1.300 15 residues pruned to eliminate duplicates Z: 11 13.920 1.917 0.496 0.890 0.900 0.800 CB 1.227 Z: 17 16.756 2.043 0.273 0.847 1.000 0.688 CA 1.195 16 residues pruned to eliminate duplicates Z: 10 20.738 2.006 0.815 0.927 1.000 0.444 CB 1.330 10 residues pruned to eliminate duplicates Z: 15 19.616 1.957 0.383 0.863 0.929 0.500 CA 1.532 15 residues pruned to eliminate duplicates Z: 10 17.591 2.044 0.600 0.905 1.000 0.778 CB 1.277 10 residues pruned to eliminate duplicates Z: 49 32.568 2.028 0.735 0.540 0.875 0.562 CB 1.468 24 residues pruned to eliminate duplicates Z: 25 21.377 1.886 0.806 0.473 0.917 0.583 CB 1.437 Z: 13 17.679 1.986 0.715 0.843 0.917 0.667 CA 1.217 14 residues pruned to eliminate duplicates Z: 14 20.361 1.963 0.483 0.873 1.000 0.462 CA 1.412 14 residues pruned to eliminate duplicates Z: 13 28.421 2.097 0.753 0.873 1.000 0.667 CA 1.625 13 residues pruned to eliminate duplicates Z: 11 12.191 1.998 0.417 0.879 0.900 0.800 CB 1.097 10 residues pruned to eliminate duplicates Z: 15 18.591 2.044 0.612 0.862 0.857 0.571 CA 1.292 15 residues pruned to eliminate duplicates Z: 32 16.937 1.915 0.687 0.484 0.839 0.484 CA 1.140 13 residues pruned to eliminate duplicates Z: 13 17.352 1.993 0.377 0.873 0.917 0.833 CA 1.451 13 residues pruned to eliminate duplicates Z: 23 16.487 2.024 0.539 0.496 0.909 0.318 CA 1.247 21 residues pruned to eliminate duplicates Z: 8 11.381 1.725 0.982 0.662 1.000 0.571 N 1.083 Z: 11 24.389 1.903 1.130 0.888 1.000 0.300 CA 1.371 Z: 49 26.693 1.974 0.776 0.503 0.854 0.562 CA 1.282 43 residues pruned to eliminate duplicates Z: 13 15.479 2.035 0.297 0.846 0.917 0.750 CA 1.372 13 residues pruned to eliminate duplicates Z: 13 10.710 1.625 0.941 0.443 0.833 0.417 CA 1.246 21 residues pruned to eliminate duplicates Z: 10 19.557 2.253 0.352 0.922 1.000 0.778 CB 1.504 10 residues pruned to eliminate duplicates Z: 15 25.079 2.063 0.731 0.912 1.000 0.786 CA 1.329 14 residues pruned to eliminate duplicates Z: 12 16.803 2.154 0.388 0.877 1.000 0.909 CA 1.231 12 residues pruned to eliminate duplicates Z: 15 11.974 1.692 0.466 0.798 1.000 0.571 CB 0.994 12 residues pruned to eliminate duplicates Z: 12 24.404 2.184 0.566 0.901 1.000 0.727 CA 1.535 12 residues pruned to eliminate duplicates Z: 14 26.840 2.128 0.645 0.853 1.000 0.615 CA 1.572 14 residues pruned to eliminate duplicates Z: 10 16.600 2.084 0.735 0.870 0.889 0.556 CB 1.256 10 residues pruned to eliminate duplicates Z: 10 24.806 1.984 1.061 0.915 1.000 0.556 CB 1.428 10 residues pruned to eliminate duplicates Z: 14 11.685 1.997 0.399 0.474 0.846 0.692 CB 1.408 15 residues pruned to eliminate duplicates Z: 13 17.601 2.043 0.637 0.768 1.000 0.750 CA 1.198 17 residues pruned to eliminate duplicates Z: 15 16.250 1.936 0.454 0.836 0.857 0.571 CA 1.347 15 residues pruned to eliminate duplicates Z: 16 21.684 1.803 0.729 0.835 1.000 0.600 CA 1.346 16 residues pruned to eliminate duplicates Z: 12 16.376 1.810 0.577 0.886 1.000 0.818 CB 1.248 Z: 34 24.705 2.103 0.644 0.482 0.909 0.667 CA 1.394 19 residues pruned to eliminate duplicates Z: 23 17.573 1.752 0.533 0.612 0.909 0.591 CA 1.380 Z: 40 28.822 2.004 0.578 0.581 0.923 0.513 CA 1.463 40 residues pruned to eliminate duplicates Z: 13 28.366 2.015 0.864 0.890 1.000 0.333 CA 1.569 13 residues pruned to eliminate duplicates Z: 16 23.338 2.128 0.624 0.860 0.933 0.533 CA 1.374 16 residues pruned to eliminate duplicates Z: 19 18.889 1.945 0.480 0.718 1.000 0.722 CA 1.269 14 residues pruned to eliminate duplicates Z: 13 19.881 1.977 0.599 0.845 1.000 0.750 CB 1.350 13 residues pruned to eliminate duplicates Z: 34 20.528 1.873 0.782 0.490 0.879 0.606 CA 1.231 Z: 11 11.496 1.976 0.233 0.916 1.000 1.000 CB 1.054 11 residues pruned to eliminate duplicates Z: 14 17.365 1.960 0.325 0.830 1.000 0.615 CA 1.394 14 residues pruned to eliminate duplicates Z: 16 18.811 2.134 0.310 0.879 0.933 0.667 CA 1.349 16 residues pruned to eliminate duplicates Z: 13 14.614 2.028 0.181 0.873 0.917 0.750 CB 1.400 13 residues pruned to eliminate duplicates Z: 38 23.518 1.988 0.345 0.525 1.000 0.514 CB 1.411 Z: 12 21.615 1.932 0.748 0.881 0.909 0.636 N 1.538 11 residues pruned to eliminate duplicates Z: 13 16.989 2.086 0.189 0.852 1.000 0.917 CA 1.463 13 residues pruned to eliminate duplicates Z: 14 15.677 2.003 0.308 0.855 1.000 0.846 CA 1.225 13 residues pruned to eliminate duplicates Z: 14 19.834 1.969 0.810 0.771 1.000 0.615 CA 1.214 14 residues pruned to eliminate duplicates Z: 7 5.760 1.807 -0.133 0.805 1.000 1.000 CB 1.150 Z: 16 17.050 1.768 0.613 0.891 1.000 0.533 CB 1.110 7 residues pruned to eliminate duplicates Z: 59 21.724 1.944 0.560 0.369 0.828 0.500 CB 1.307 43 residues pruned to eliminate duplicates Z: 15 19.574 1.941 0.869 0.839 0.857 0.786 CA 1.256 15 residues pruned to eliminate duplicates Z: 18 25.866 2.026 0.751 0.845 1.000 0.706 CA 1.314 16 residues pruned to eliminate duplicates Z: 12 21.573 2.041 0.650 0.895 1.000 0.364 CB 1.384 12 residues pruned to eliminate duplicates Z: 12 14.095 1.990 0.458 0.901 0.909 0.727 CB 1.151 11 residues pruned to eliminate duplicates Z: 10 8.589 1.823 0.271 0.824 0.778 0.667 CA 1.200 8 residues pruned to eliminate duplicates Z: 12 14.860 1.983 0.277 0.879 1.000 0.818 CA 1.283 12 residues pruned to eliminate duplicates Z: 8 10.316 1.985 0.119 0.848 0.857 0.571 CB 1.519 8 residues pruned to eliminate duplicates Z: 43 29.561 2.020 0.670 0.557 0.833 0.500 CB 1.536 43 residues pruned to eliminate duplicates Z: 23 13.508 2.054 0.244 0.340 0.955 0.591 CB 1.405 23 residues pruned to eliminate duplicates Z: 16 13.099 2.142 -0.097 0.898 0.933 0.800 CA 1.340 16 residues pruned to eliminate duplicates Z: 17 21.012 2.076 0.456 0.871 0.938 0.688 CA 1.352 17 residues pruned to eliminate duplicates Z: 12 22.862 2.130 0.732 0.920 0.818 0.182 CB 1.608 12 residues pruned to eliminate duplicates Z: 15 24.304 2.182 0.516 0.863 1.000 0.786 CA 1.441 17 residues pruned to eliminate duplicates Z: 6 2.230 1.761 0.344 0.298 0.400 0.400 CB 1.320 Z: 15 23.598 1.980 0.547 0.909 0.929 0.714 CA 1.574 15 residues pruned to eliminate duplicates Z: 14 17.236 1.994 0.392 0.876 0.923 0.615 CB 1.356 14 residues pruned to eliminate duplicates Z: 34 21.831 1.970 0.604 0.489 0.909 0.545 CA 1.337 34 residues pruned to eliminate duplicates Z: 11 23.454 2.225 0.619 0.914 0.900 0.600 CB 1.618 11 residues pruned to eliminate duplicates Z: 13 18.186 1.918 0.560 0.873 1.000 0.667 CB 1.278 13 residues pruned to eliminate duplicates Z: 14 26.568 2.023 0.807 0.901 1.000 0.462 CA 1.439 14 residues pruned to eliminate duplicates Z: 14 22.180 1.877 0.721 0.891 1.000 0.769 CB 1.369 14 residues pruned to eliminate duplicates Z: 16 21.705 1.906 0.871 0.761 1.000 0.667 CA 1.246 16 residues pruned to eliminate duplicates Z: 12 4.819 1.543 0.562 0.348 0.909 0.545 CB 0.782 Z: 12 16.895 2.149 0.326 0.882 0.909 0.727 CB 1.423 12 residues pruned to eliminate duplicates Z: 31 23.575 1.979 0.769 0.556 0.867 0.467 CB 1.343 31 residues pruned to eliminate duplicates Z: 12 15.337 2.025 0.459 0.782 1.000 0.636 CA 1.221 12 residues pruned to eliminate duplicates Z: 14 18.163 1.953 0.819 0.758 0.923 0.538 CA 1.221 14 residues pruned to eliminate duplicates Z: 36 21.669 1.961 0.515 0.540 0.943 0.543 CA 1.258 28 residues pruned to eliminate duplicates Z: 54 27.912 1.971 0.458 0.566 0.943 0.623 CB 1.326 57 residues pruned to eliminate duplicates Z: 10 14.709 1.889 0.732 0.871 1.000 0.778 CA 1.093 10 residues pruned to eliminate duplicates Z: 14 25.285 2.054 0.684 0.864 1.000 0.846 CA 1.486 14 residues pruned to eliminate duplicates Z: 24 18.163 2.027 0.325 0.646 0.913 0.478 CA 1.347 24 residues pruned to eliminate duplicates Z: 6 4.664 1.686 -0.035 0.678 1.000 0.800 CB 1.088 Z: 13 21.164 1.993 0.620 0.903 1.000 0.833 CA 1.348 13 residues pruned to eliminate duplicates Z: 26 22.667 2.066 0.461 0.579 0.920 0.600 CB 1.513 14 residues pruned to eliminate duplicates Z: 31 28.288 2.131 0.571 0.595 0.967 0.700 CA 1.458 18 residues pruned to eliminate duplicates Z: 17 4.840 1.578 0.266 0.288 0.812 0.438 CB 0.946 Z: 17 19.875 2.060 0.304 0.767 0.938 0.625 CA 1.557 17 residues pruned to eliminate duplicates Z: 14 18.550 1.923 0.786 0.781 1.000 0.615 CA 1.169 14 residues pruned to eliminate duplicates Z: 11 13.117 1.853 0.412 0.928 1.000 0.900 CB 1.110 11 residues pruned to eliminate duplicates Z: 15 17.469 2.103 0.535 0.640 0.929 0.357 CA 1.367 15 residues pruned to eliminate duplicates Z: 34 24.130 1.995 0.539 0.564 0.970 0.606 CB 1.327 38 residues pruned to eliminate duplicates Z: 12 15.266 2.106 0.371 0.847 0.818 0.727 CA 1.446 12 residues pruned to eliminate duplicates Z: 7 9.072 1.742 0.571 0.739 0.833 0.500 CA 1.311 6 residues pruned to eliminate duplicates Z: 14 17.395 1.935 0.567 0.850 0.846 0.615 CA 1.393 14 residues pruned to eliminate duplicates Z: 13 21.578 1.976 0.763 0.786 1.000 0.667 CA 1.391 13 residues pruned to eliminate duplicates Z: 11 16.937 1.881 0.496 0.907 1.000 0.800 CA 1.353 Z: 32 26.553 2.059 0.600 0.575 1.000 0.548 CB 1.347 33 residues pruned to eliminate duplicates Z: 15 19.007 1.935 0.757 0.803 0.929 0.571 CA 1.236 15 residues pruned to eliminate duplicates Z: 16 15.199 1.966 0.080 0.894 1.000 0.933 CB 1.326 16 residues pruned to eliminate duplicates Z: 15 25.388 1.884 0.873 0.928 1.000 0.786 CB 1.347 15 residues pruned to eliminate duplicates Z: 29 20.543 2.016 0.469 0.569 0.929 0.464 CA 1.321 29 residues pruned to eliminate duplicates Z: 38 26.852 2.018 0.502 0.608 0.946 0.595 CA 1.389 50 residues pruned to eliminate duplicates Z: 58 29.373 1.956 0.499 0.562 0.947 0.649 CB 1.319 49 residues pruned to eliminate duplicates Z: 14 10.279 1.855 0.656 0.420 0.846 0.615 CA 1.193 10 residues pruned to eliminate duplicates Z: 6 6.891 1.725 0.561 0.719 0.800 0.800 CB 1.174 Z: 7 9.174 1.846 0.862 0.570 0.833 0.833 CB 1.222 8 residues pruned to eliminate duplicates Z: 9 18.082 2.074 1.167 0.915 1.000 1.000 CA 1.006 9 residues pruned to eliminate duplicates Z: 11 13.105 1.699 0.390 0.851 0.900 0.800 CA 1.443 12 residues pruned to eliminate duplicates Z: 14 24.530 1.964 0.703 0.902 1.000 0.615 CB 1.451 14 residues pruned to eliminate duplicates Z: 15 18.613 1.874 0.492 0.846 0.929 0.714 CA 1.424 15 residues pruned to eliminate duplicates Z: 6 7.254 1.861 0.332 0.644 1.000 0.800 CA 1.144 Z: 6 9.636 1.922 0.187 0.891 1.000 1.000 CA 1.358 Z: 12 16.829 2.110 0.247 0.908 1.000 0.727 CA 1.370 12 residues pruned to eliminate duplicates Z: 8 8.610 1.836 0.266 0.867 0.857 0.714 CA 1.194 Z: 12 14.863 2.062 0.415 0.789 0.818 0.636 CA 1.457 12 residues pruned to eliminate duplicates Z: 12 15.171 1.866 0.626 0.866 0.818 0.818 CA 1.350 12 residues pruned to eliminate duplicates Z: 29 20.009 2.061 0.681 0.447 0.857 0.536 CB 1.344 29 residues pruned to eliminate duplicates Z: 14 17.801 1.888 0.469 0.808 1.000 0.692 CA 1.360 14 residues pruned to eliminate duplicates Z: 50 34.041 2.033 0.667 0.581 0.918 0.510 CB 1.446 46 residues pruned to eliminate duplicates Z: 15 13.062 1.975 0.327 0.480 0.929 0.571 CA 1.464 33 residues pruned to eliminate duplicates Z: 14 28.132 2.051 1.183 0.905 1.000 0.692 CA 1.240 14 residues pruned to eliminate duplicates Z: 12 21.864 2.098 0.484 0.907 1.000 0.455 CA 1.505 13 residues pruned to eliminate duplicates Z: 13 25.632 2.110 0.675 0.898 1.000 0.750 CA 1.497 13 residues pruned to eliminate duplicates Z: 14 19.029 1.766 0.818 0.852 0.923 0.615 CA 1.316 12 residues pruned to eliminate duplicates Z: 37 20.880 1.967 0.566 0.481 0.917 0.667 CA 1.257 26 residues pruned to eliminate duplicates Z: 14 18.647 1.929 0.663 0.750 0.923 0.385 CB 1.397 14 residues pruned to eliminate duplicates Z: 8 8.218 1.905 0.203 0.801 1.000 0.571 CA 1.041 Z: 7 8.227 1.812 0.618 0.718 0.833 0.667 CA 1.129 7 residues pruned to eliminate duplicates Z: 15 24.832 1.897 0.915 0.846 0.929 0.714 CA 1.462 15 residues pruned to eliminate duplicates Z: 38 19.244 1.953 0.344 0.464 0.919 0.541 CB 1.361 38 residues pruned to eliminate duplicates Z: 11 18.108 2.053 0.668 0.924 1.000 1.000 CB 1.174 11 residues pruned to eliminate duplicates Z: 7 6.643 1.735 0.400 0.809 1.000 0.667 CA 0.854 7 residues pruned to eliminate duplicates Z: 12 7.327 2.027 0.258 0.334 0.727 0.364 CA 1.428 12 residues pruned to eliminate duplicates Z: 17 15.531 1.704 0.641 0.876 0.938 0.750 CA 1.077 17 residues pruned to eliminate duplicates Z: 12 12.417 1.948 0.222 0.895 1.000 0.909 CA 1.127 12 residues pruned to eliminate duplicates Z: 10 18.552 1.929 0.771 0.902 1.000 0.889 CA 1.292 10 residues pruned to eliminate duplicates Z: 7 4.203 1.825 0.020 0.640 1.000 0.333 CB 0.809 7 residues pruned to eliminate duplicates Z: 53 32.670 2.029 0.578 0.580 0.962 0.615 CB 1.362 51 residues pruned to eliminate duplicates Z: 16 23.348 2.157 0.580 0.914 0.933 0.600 CA 1.340 17 residues pruned to eliminate duplicates Z: 7 4.396 1.894 -0.307 0.615 1.000 1.000 CB 1.227 7 residues pruned to eliminate duplicates Z: 6 6.211 1.988 0.033 0.730 0.800 0.600 CB 1.375 6 residues pruned to eliminate duplicates Z: 25 18.352 2.016 0.417 0.576 0.875 0.750 CA 1.393 20 residues pruned to eliminate duplicates Z: 17 21.582 1.919 0.628 0.905 1.000 0.812 CA 1.229 20 residues pruned to eliminate duplicates Z: 61 31.246 1.899 0.701 0.571 0.883 0.467 CB 1.320 54 residues pruned to eliminate duplicates Z: 13 13.952 1.930 0.660 0.879 0.833 0.417 CB 1.094 13 residues pruned to eliminate duplicates Z: 13 15.815 1.875 0.555 0.840 0.917 0.667 CA 1.275 13 residues pruned to eliminate duplicates Z: 28 17.265 2.042 0.420 0.477 0.852 0.593 CA 1.378 28 residues pruned to eliminate duplicates Z: 58 30.918 1.957 0.547 0.524 0.877 0.491 CA 1.506 49 residues pruned to eliminate duplicates Z: 39 33.139 2.109 0.573 0.633 0.947 0.500 CB 1.509 39 residues pruned to eliminate duplicates Z: 13 17.664 2.014 0.729 0.809 0.917 0.750 CB 1.220 13 residues pruned to eliminate duplicates Z: 13 16.950 2.092 0.524 0.882 0.833 0.833 CA 1.332 13 residues pruned to eliminate duplicates Z: 17 17.137 1.698 0.625 0.861 0.938 0.688 CA 1.217 17 residues pruned to eliminate duplicates Z: 14 12.743 1.635 0.523 0.905 1.000 0.538 CA 1.010 12 residues pruned to eliminate duplicates Z: 16 6.873 1.804 0.220 0.354 0.733 0.467 CB 1.288 11 residues pruned to eliminate duplicates Z: 9 9.012 1.910 0.413 0.545 0.875 0.625 CB 1.290 9 residues pruned to eliminate duplicates Z: 7 8.150 1.865 0.268 0.862 1.000 0.833 CA 1.033 7 residues pruned to eliminate duplicates Z: 17 25.072 1.937 0.627 0.866 0.938 0.438 CB 1.552 17 residues pruned to eliminate duplicates Z: 11 14.803 1.994 0.525 0.921 1.000 0.900 CB 1.083 15 residues pruned to eliminate duplicates Z: 8 7.243 1.892 0.073 0.779 0.857 0.714 CA 1.230 Z: 37 38.634 2.153 0.651 0.697 0.972 0.722 CA 1.556 38 residues pruned to eliminate duplicates Z: 13 19.784 1.761 0.903 0.919 1.000 0.583 CA 1.201 13 residues pruned to eliminate duplicates Z: 14 22.498 1.937 0.609 0.869 1.000 0.769 CA 1.462 14 residues pruned to eliminate duplicates Z: 33 11.379 1.794 0.455 0.289 0.844 0.469 CB 1.158 33 residues pruned to eliminate duplicates Z: 14 17.047 1.853 0.735 0.849 0.923 0.462 CA 1.182 14 residues pruned to eliminate duplicates Z: 10 10.059 1.784 0.471 0.831 1.000 0.889 CB 0.960 Z: 12 19.075 1.933 0.602 0.880 1.000 0.818 CA 1.346 12 residues pruned to eliminate duplicates Z: 11 14.727 1.910 0.568 0.906 1.000 0.900 CA 1.106 11 residues pruned to eliminate duplicates Z: 17 13.144 1.973 0.201 0.860 0.938 0.688 CA 1.088 17 residues pruned to eliminate duplicates Z: 18 19.672 1.813 0.624 0.914 1.000 0.882 CA 1.146 18 residues pruned to eliminate duplicates Z: 9 11.714 2.013 0.688 0.810 0.875 0.750 CB 1.064 9 residues pruned to eliminate duplicates Z: 21 10.494 1.736 0.387 0.348 0.900 0.550 CB 1.276 6 residues pruned to eliminate duplicates Z: 30 26.742 2.029 0.679 0.640 0.897 0.586 CA 1.426 30 residues pruned to eliminate duplicates Z: 12 11.423 1.706 0.603 0.864 0.909 0.909 CB 1.016 11 residues pruned to eliminate duplicates Z: 13 17.694 1.839 0.659 0.911 0.917 0.750 CA 1.294 11 residues pruned to eliminate duplicates Z: 15 26.288 2.186 0.560 0.881 1.000 0.429 CA 1.492 15 residues pruned to eliminate duplicates Z: 12 12.819 1.910 0.387 0.870 0.909 0.818 CB 1.172 12 residues pruned to eliminate duplicates Z: 15 23.781 2.053 0.859 0.906 1.000 0.929 CA 1.184 15 residues pruned to eliminate duplicates Z: 57 30.087 1.989 0.548 0.547 0.929 0.607 CB 1.342 61 residues pruned to eliminate duplicates Z: 35 25.169 1.917 0.676 0.565 1.000 0.500 CA 1.261 35 residues pruned to eliminate duplicates Z: 16 18.407 2.106 0.376 0.924 1.000 1.000 CA 1.151 16 residues pruned to eliminate duplicates Z: 13 21.970 1.884 0.923 0.877 0.917 0.500 CB 1.387 13 residues pruned to eliminate duplicates Z: 6 4.829 1.941 0.050 0.720 1.000 0.800 CB 0.869 Z: 16 25.323 2.194 0.641 0.901 0.867 0.533 CA 1.495 16 residues pruned to eliminate duplicates Z: 12 15.429 1.800 0.405 0.893 1.000 0.909 CA 1.321 12 residues pruned to eliminate duplicates Z: 13 19.458 2.019 0.530 0.891 0.917 0.833 CA 1.426 13 residues pruned to eliminate duplicates Z: 16 26.216 2.165 0.659 0.910 0.933 0.467 CA 1.432 16 residues pruned to eliminate duplicates Z: 11 8.033 1.673 0.216 0.771 0.800 0.500 CB 1.227 11 residues pruned to eliminate duplicates Z: 14 23.997 2.062 0.445 0.885 1.000 0.615 CB 1.613 14 residues pruned to eliminate duplicates Z: 17 7.460 1.699 0.237 0.393 0.875 0.375 CB 1.135 17 residues pruned to eliminate duplicates Z: 12 14.206 1.847 0.509 0.914 1.000 0.909 CB 1.087 12 residues pruned to eliminate duplicates Z: 17 14.634 1.891 0.127 0.891 1.000 0.875 CA 1.234 17 residues pruned to eliminate duplicates Z: 14 17.904 2.031 0.363 0.877 0.923 0.846 CB 1.412 14 residues pruned to eliminate duplicates Z: 31 20.401 1.853 0.651 0.536 0.900 0.433 CB 1.306 31 residues pruned to eliminate duplicates Z: 13 11.643 1.697 0.223 0.868 1.000 0.917 CB 1.184 13 residues pruned to eliminate duplicates Z: 18 15.175 1.824 0.214 0.873 0.882 0.824 CA 1.371 18 residues pruned to eliminate duplicates Z: 7 8.781 1.712 0.181 0.813 1.000 0.833 CA 1.350 6 residues pruned to eliminate duplicates Z: 15 11.451 1.699 0.682 0.429 0.929 0.571 CA 1.242 13 residues pruned to eliminate duplicates Z: 13 18.642 1.931 0.446 0.858 1.000 0.833 CA 1.420 13 residues pruned to eliminate duplicates Z: 12 27.919 1.928 1.134 0.913 1.000 0.727 CA 1.448 12 residues pruned to eliminate duplicates Z: 13 17.659 1.699 0.697 0.876 1.000 0.833 CB 1.285 12 residues pruned to eliminate duplicates Z: 46 17.244 1.811 0.348 0.463 0.889 0.644 CA 1.230 33 residues pruned to eliminate duplicates Z: 14 21.309 1.970 0.684 0.889 0.923 0.692 CA 1.390 14 residues pruned to eliminate duplicates Z: 8 14.421 1.946 0.477 0.710 1.000 0.429 CA 1.567 8 residues pruned to eliminate duplicates Z: 15 8.920 1.831 0.345 0.413 0.857 0.500 CB 1.237 13 residues pruned to eliminate duplicates Z: 31 21.369 2.003 0.504 0.506 0.933 0.567 CA 1.379 31 residues pruned to eliminate duplicates Z: 15 17.559 1.794 0.598 0.866 1.000 0.714 CA 1.199 15 residues pruned to eliminate duplicates Z: 52 28.240 2.039 0.673 0.549 0.843 0.588 CA 1.311 53 residues pruned to eliminate duplicates Z: 12 13.803 1.756 0.468 0.865 1.000 0.909 CA 1.183 12 residues pruned to eliminate duplicates Z: 11 14.626 1.839 0.916 0.825 0.900 0.700 CB 1.101 11 residues pruned to eliminate duplicates Z: 29 25.624 2.084 0.762 0.549 0.929 0.500 CB 1.354 29 residues pruned to eliminate duplicates Z: 16 20.386 1.906 0.875 0.908 0.933 0.667 CA 1.122 16 residues pruned to eliminate duplicates Z: 11 7.586 1.661 0.329 0.439 0.900 0.500 CB 1.287 Z: 31 21.619 2.009 0.622 0.493 0.933 0.533 CB 1.308 31 residues pruned to eliminate duplicates Z: 11 11.102 1.900 0.473 0.825 1.000 0.700 CB 0.947 11 residues pruned to eliminate duplicates Z: 39 32.228 2.096 0.586 0.648 0.921 0.500 CB 1.489 39 residues pruned to eliminate duplicates Z: 35 24.941 2.031 0.652 0.540 0.853 0.412 CB 1.437 35 residues pruned to eliminate duplicates Z: 14 17.319 1.858 0.633 0.892 1.000 0.846 CB 1.138 14 residues pruned to eliminate duplicates Z: 7 4.482 1.557 0.240 0.522 0.833 0.333 CA 1.113 Z: 7 7.612 2.127 0.011 0.569 1.000 0.667 CB 1.352 7 residues pruned to eliminate duplicates Z: 8 8.119 1.569 0.823 0.621 1.000 0.571 N 0.958 Z: 11 14.040 1.999 0.242 0.928 1.000 1.000 CB 1.252 11 residues pruned to eliminate duplicates Z: 11 20.170 1.953 0.764 0.904 1.000 0.700 CA 1.318 11 residues pruned to eliminate duplicates Z: 10 10.681 1.793 0.548 0.844 0.889 0.778 CA 1.074 10 residues pruned to eliminate duplicates Z: 16 9.061 1.797 0.457 0.272 0.933 0.467 CB 1.240 Z: 40 34.368 2.074 0.611 0.657 0.949 0.667 CA 1.500 39 residues pruned to eliminate duplicates Z: 7 4.613 1.672 0.363 0.404 0.833 0.667 CB 1.097 6 residues pruned to eliminate duplicates Z: 19 19.741 1.948 0.474 0.782 0.944 0.667 CB 1.338 19 residues pruned to eliminate duplicates Z: 16 9.179 1.714 0.419 0.364 1.000 0.600 CA 1.127 15 residues pruned to eliminate duplicates Z: 16 24.843 2.146 0.525 0.902 1.000 0.733 CA 1.398 16 residues pruned to eliminate duplicates Z: 15 5.579 1.615 0.295 0.396 0.714 0.429 CB 1.114 Z: 12 8.540 1.950 0.494 0.444 0.727 0.364 CB 1.288 12 residues pruned to eliminate duplicates Z: 6 10.407 2.093 0.322 0.843 1.000 1.000 CA 1.252 6 residues pruned to eliminate duplicates Z: 14 20.660 1.901 0.630 0.896 1.000 0.846 CB 1.325 14 residues pruned to eliminate duplicates Z: 21 15.727 1.988 0.331 0.605 0.800 0.500 CB 1.504 38 residues pruned to eliminate duplicates Z: 8 10.256 1.862 0.982 0.563 0.714 0.571 CA 1.383 8 residues pruned to eliminate duplicates Z: 10 8.010 1.786 0.334 0.390 0.889 0.667 CA 1.416 Z: 13 14.955 1.886 0.279 0.866 1.000 1.000 CA 1.311 13 residues pruned to eliminate duplicates Z: 48 21.725 1.929 0.487 0.410 0.915 0.574 CB 1.326 52 residues pruned to eliminate duplicates Z: 30 24.627 2.073 0.768 0.500 0.931 0.414 CB 1.340 30 residues pruned to eliminate duplicates Z: 44 18.786 1.810 0.372 0.498 0.907 0.605 CA 1.275 44 residues pruned to eliminate duplicates Z: 28 21.596 2.157 0.562 0.456 0.889 0.741 CA 1.451 28 residues pruned to eliminate duplicates Z: 13 17.549 1.869 0.721 0.797 1.000 0.833 CA 1.215 13 residues pruned to eliminate duplicates Z: 12 15.512 1.848 0.499 0.891 1.000 0.818 CA 1.213 12 residues pruned to eliminate duplicates 6 1.434 1.605 0.639 0.279 0.400 0.400 CB 0.782 ? Z: 8 7.889 1.914 0.216 0.811 0.857 0.429 CA 1.141 8 residues pruned to eliminate duplicates Z: 6 3.537 1.470 0.494 0.481 0.600 0.600 CA 1.223 Z: 39 23.369 1.945 0.662 0.445 0.895 0.553 CA 1.388 38 residues pruned to eliminate duplicates Z: 16 23.674 2.125 0.501 0.901 1.000 0.733 CA 1.368 16 residues pruned to eliminate duplicates Z: 14 13.411 1.998 0.450 0.754 0.923 0.692 CA 1.109 14 residues pruned to eliminate duplicates Z: 31 21.417 2.029 0.497 0.453 0.900 0.667 CB 1.501 31 residues pruned to eliminate duplicates Z: 14 6.639 1.682 0.396 0.324 0.692 0.462 CA 1.375 Z: 23 10.630 1.692 0.507 0.408 0.864 0.636 CB 1.133 26 residues pruned to eliminate duplicates Z: 9 8.677 1.768 0.714 0.491 0.875 0.625 CA 1.168 Z: 41 26.454 2.049 0.564 0.575 0.825 0.525 CB 1.471 41 residues pruned to eliminate duplicates Z: 15 19.135 1.998 0.604 0.872 1.000 0.571 CB 1.163 15 residues pruned to eliminate duplicates Z: 37 24.541 2.023 0.455 0.501 0.972 0.583 CB 1.428 37 residues pruned to eliminate duplicates Z: 11 27.971 2.144 1.057 0.921 1.000 0.500 CB 1.411 11 residues pruned to eliminate duplicates Z: 6 8.878 1.573 0.519 0.842 1.000 0.600 CA 1.238 6 residues pruned to eliminate duplicates Z: 13 10.166 1.793 0.221 0.881 1.000 0.667 CB 0.970 13 residues pruned to eliminate duplicates Z: 10 11.524 1.755 0.766 0.561 1.000 0.778 CB 1.168 8 residues pruned to eliminate duplicates Z: 14 23.274 2.057 0.589 0.919 0.923 0.462 CB 1.508 14 residues pruned to eliminate duplicates Z: 12 21.083 2.057 0.683 0.876 1.000 0.727 CB 1.335 13 residues pruned to eliminate duplicates Z: 28 11.907 1.895 0.440 0.267 0.889 0.704 CB 1.232 28 residues pruned to eliminate duplicates Z: 44 30.496 2.090 0.568 0.613 0.860 0.465 CB 1.482 44 residues pruned to eliminate duplicates Z: 36 24.116 2.062 0.457 0.552 0.914 0.571 CB 1.410 36 residues pruned to eliminate duplicates Z: 12 20.237 2.039 0.613 0.802 1.000 0.727 CA 1.425 12 residues pruned to eliminate duplicates Z: 13 7.551 1.613 0.551 0.302 0.833 0.750 CA 1.304 13 residues pruned to eliminate duplicates Z: 12 5.224 1.545 0.361 0.308 1.000 0.455 CB 0.927 12 residues pruned to eliminate duplicates Z: 6 2.951 1.575 -0.024 0.338 0.800 0.400 CB 1.281 Z: 13 16.000 1.871 0.449 0.778 1.000 0.833 CB 1.334 13 residues pruned to eliminate duplicates Z: 13 26.764 2.052 0.826 0.873 1.000 0.833 CA 1.502 13 residues pruned to eliminate duplicates Z: 43 27.291 1.957 0.745 0.510 0.929 0.500 CB 1.315 43 residues pruned to eliminate duplicates Z: 9 18.386 2.081 0.650 0.863 1.000 0.875 CA 1.389 9 residues pruned to eliminate duplicates Z: 15 14.343 1.752 0.556 0.774 0.929 0.714 CA 1.188 15 residues pruned to eliminate duplicates Z: 11 13.917 1.845 0.169 0.868 1.000 1.000 CA 1.492 11 residues pruned to eliminate duplicates Z: 13 18.069 1.932 0.767 0.905 1.000 0.750 CA 1.087 12 residues pruned to eliminate duplicates Z: 14 24.302 1.967 0.808 0.871 1.000 0.692 CA 1.382 14 residues pruned to eliminate duplicates Z: 39 25.953 2.034 0.533 0.493 0.947 0.526 CB 1.435 39 residues pruned to eliminate duplicates Z: 6 10.901 2.118 0.368 0.813 1.000 0.800 CB 1.281 7 residues pruned to eliminate duplicates Z: 16 17.595 1.970 0.624 0.879 1.000 0.800 CB 1.030 16 residues pruned to eliminate duplicates Z: 6 3.070 1.515 0.310 0.466 0.600 0.600 O 1.194 Z: 9 4.636 1.495 -0.012 0.515 0.875 0.375 N 1.249 9 residues pruned to eliminate duplicates Z: 8 6.741 1.678 0.433 0.405 1.000 0.714 CB 1.171 8 residues pruned to eliminate duplicates Z: 6 9.698 2.047 0.363 0.818 0.800 0.800 CA 1.475 6 residues pruned to eliminate duplicates Z: 14 17.529 2.010 0.781 0.777 0.923 0.692 CA 1.152 14 residues pruned to eliminate duplicates Z: 7 2.756 1.440 0.473 0.475 0.833 0.333 CB 0.653 7 residues pruned to eliminate duplicates Z: 13 12.286 1.705 0.428 0.911 1.000 0.917 CA 1.032 Z: 14 21.415 2.013 0.385 0.870 1.000 0.692 CB 1.556 14 residues pruned to eliminate duplicates Z: 16 17.148 1.740 0.495 0.908 1.000 0.867 CA 1.209 16 residues pruned to eliminate duplicates Z: 14 12.102 1.677 0.501 0.894 0.923 0.769 CB 1.036 14 residues pruned to eliminate duplicates Z: 15 17.385 1.789 0.917 0.825 0.857 0.643 CA 1.193 15 residues pruned to eliminate duplicates Z: 13 17.585 1.990 0.725 0.824 1.000 1.000 CA 1.117 13 residues pruned to eliminate duplicates Z: 13 21.602 1.941 0.834 0.862 1.000 0.833 CB 1.285 13 residues pruned to eliminate duplicates Z: 13 18.893 1.892 0.608 0.911 1.000 0.750 CA 1.271 13 residues pruned to eliminate duplicates Z: 6 6.641 1.579 0.446 0.673 1.000 0.600 CA 1.109 Z: 6 4.392 1.562 0.248 0.767 0.800 0.600 CB 0.994 6 residues pruned to eliminate duplicates Z: 30 18.003 1.736 0.549 0.549 0.828 0.414 CB 1.432 30 residues pruned to eliminate duplicates Z: 16 17.160 2.006 0.804 0.459 0.867 0.533 CA 1.473 19 residues pruned to eliminate duplicates Z: 11 16.396 1.778 0.796 0.885 0.900 0.700 CB 1.303 12 residues pruned to eliminate duplicates Z: 64 28.139 1.947 0.483 0.515 0.841 0.571 CA 1.438 64 residues pruned to eliminate duplicates Z: 36 23.558 1.953 0.588 0.505 0.886 0.429 CB 1.442 36 residues pruned to eliminate duplicates Z: 30 20.973 1.988 0.831 0.468 0.931 0.690 CA 1.187 30 residues pruned to eliminate duplicates Z: 26 10.523 1.723 0.309 0.408 0.920 0.440 CB 1.118 21 residues pruned to eliminate duplicates Z: 6 7.576 1.773 0.550 0.829 1.000 0.600 CA 0.928 6 residues pruned to eliminate duplicates Z: 7 14.755 2.012 0.709 0.860 1.000 0.833 CA 1.289 8 residues pruned to eliminate duplicates Z: 38 33.641 2.098 0.596 0.667 0.919 0.568 CA 1.540 38 residues pruned to eliminate duplicates Z: 36 22.479 2.088 0.432 0.457 0.914 0.657 CA 1.452 36 residues pruned to eliminate duplicates Z: 11 4.585 1.498 0.327 0.509 0.800 0.600 CB 0.903 8 residues pruned to eliminate duplicates Z: 8 7.859 1.778 0.821 0.909 1.000 0.857 CB 0.651 Z: 17 8.571 1.862 0.310 0.357 0.812 0.625 CB 1.261 17 residues pruned to eliminate duplicates Z: 21 9.384 1.843 0.362 0.390 0.750 0.400 CA 1.252 21 residues pruned to eliminate duplicates Z: 40 23.555 2.002 0.473 0.469 0.897 0.538 CA 1.470 39 residues pruned to eliminate duplicates Z: 9 15.026 1.827 0.917 0.850 0.875 0.500 CB 1.284 9 residues pruned to eliminate duplicates Z: 11 10.732 1.765 0.321 0.865 0.900 0.800 CA 1.185 11 residues pruned to eliminate duplicates Z: 13 16.278 1.834 0.657 0.881 0.917 0.500 CA 1.222 13 residues pruned to eliminate duplicates Z: 12 17.853 2.111 0.524 0.781 1.000 0.818 CA 1.307 12 residues pruned to eliminate duplicates Z: 12 19.380 1.808 0.888 0.867 0.909 0.727 CA 1.377 12 residues pruned to eliminate duplicates Z: 6 4.309 1.678 0.251 0.481 0.800 0.400 CB 1.169 Z: 57 33.362 2.020 0.696 0.548 0.875 0.571 CB 1.419 57 residues pruned to eliminate duplicates Z: 14 19.848 1.833 0.533 0.908 1.000 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 12 9.153 1.785 0.366 0.403 0.909 0.636 CA 1.378 12 residues pruned to eliminate duplicates Z: 54 32.156 2.041 0.570 0.590 0.943 0.623 CB 1.340 54 residues pruned to eliminate duplicates Z: 13 16.213 1.979 0.525 0.820 0.917 0.917 CA 1.281 13 residues pruned to eliminate duplicates Z: 8 4.645 1.768 0.166 0.681 1.000 1.000 CB 0.721 8 residues pruned to eliminate duplicates Z: 15 8.658 1.711 0.425 0.433 0.786 0.500 CB 1.295 15 residues pruned to eliminate duplicates Z: 13 19.387 2.020 0.564 0.807 1.000 0.667 CA 1.356 13 residues pruned to eliminate duplicates Z: 47 27.801 2.057 0.578 0.530 0.913 0.674 CA 1.343 49 residues pruned to eliminate duplicates Z: 17 17.747 1.759 0.716 0.857 0.875 0.625 CB 1.238 17 residues pruned to eliminate duplicates Z: 16 19.459 2.014 0.597 0.923 1.000 0.867 CA 1.098 16 residues pruned to eliminate duplicates Z: 17 18.205 1.758 0.642 0.891 1.000 0.688 CA 1.133 17 residues pruned to eliminate duplicates Z: 26 11.847 1.754 0.503 0.503 0.880 0.640 CB 1.018 26 residues pruned to eliminate duplicates Z: 12 26.240 2.132 0.717 0.904 1.000 0.545 CA 1.539 12 residues pruned to eliminate duplicates Z: 7 3.185 1.710 0.185 0.387 0.833 0.667 CB 0.869 7 residues pruned to eliminate duplicates Z: 10 14.323 1.948 0.534 0.887 0.889 0.778 CB 1.297 10 residues pruned to eliminate duplicates Z: 12 3.769 1.757 0.218 0.206 0.818 0.545 CB 0.920 12 residues pruned to eliminate duplicates Z: 13 16.568 1.806 0.688 0.889 0.917 0.583 CA 1.232 13 residues pruned to eliminate duplicates Z: 11 8.734 1.787 0.295 0.684 0.900 0.700 CB 1.120 12 residues pruned to eliminate duplicates Z: 13 15.007 1.854 0.331 0.930 1.000 0.833 CA 1.227 13 residues pruned to eliminate duplicates Z: 13 9.257 1.628 0.725 0.425 1.000 0.500 CA 1.029 13 residues pruned to eliminate duplicates Z: 11 18.737 1.982 0.686 0.911 0.900 0.400 CB 1.396 11 residues pruned to eliminate duplicates Z: 35 22.031 1.930 0.716 0.473 0.882 0.500 CA 1.328 35 residues pruned to eliminate duplicates Z: 14 8.549 1.920 0.440 0.406 0.769 0.615 CA 1.232 14 residues pruned to eliminate duplicates Z: 32 22.032 1.917 0.598 0.606 0.935 0.710 CB 1.249 32 residues pruned to eliminate duplicates Z: 9 4.140 1.636 0.284 0.362 0.625 0.375 CA 1.293 9 residues pruned to eliminate duplicates Z: 8 7.506 2.020 -0.143 0.856 1.000 1.000 CB 1.209 8 residues pruned to eliminate duplicates Z: 27 23.687 2.029 0.556 0.628 0.923 0.692 CA 1.414 27 residues pruned to eliminate duplicates Z: 7 6.613 1.598 0.179 0.830 0.833 0.833 N 1.294 7 residues pruned to eliminate duplicates Z: 7 7.320 1.728 0.472 0.829 0.833 0.833 CA 1.061 6 residues pruned to eliminate duplicates Z: 11 6.307 1.617 0.235 0.876 0.900 0.600 CA 0.806 11 residues pruned to eliminate duplicates Z: 11 7.862 1.667 0.351 0.841 0.900 0.800 CB 0.915 9 residues pruned to eliminate duplicates Z: 13 13.905 2.108 0.573 0.325 1.000 1.000 CB 1.467 19 residues pruned to eliminate duplicates Z: 59 30.172 1.993 0.676 0.534 0.828 0.552 CB 1.385 59 residues pruned to eliminate duplicates Z: 12 13.133 1.710 0.534 0.895 1.000 0.818 CB 1.082 12 residues pruned to eliminate duplicates Z: 7 5.668 1.629 0.819 0.519 0.833 0.667 CA 0.920 Z: 13 12.192 1.788 0.526 0.842 0.833 0.667 CA 1.154 13 residues pruned to eliminate duplicates Z: 15 10.340 1.984 0.389 0.312 0.929 0.571 CB 1.330 14 residues pruned to eliminate duplicates Z: 8 5.038 1.749 -0.198 0.858 1.000 0.857 CB 1.000 8 residues pruned to eliminate duplicates Z: 13 21.704 2.048 0.470 0.919 1.000 0.917 CA 1.466 13 residues pruned to eliminate duplicates Z: 7 5.284 1.560 0.581 0.444 0.833 0.500 CB 1.112 7 residues pruned to eliminate duplicates Z: 7 3.571 1.410 0.346 0.539 1.000 0.500 CB 0.739 6 residues pruned to eliminate duplicates Z: 15 11.087 1.680 0.293 0.834 0.929 0.714 CA 1.101 15 residues pruned to eliminate duplicates Z: 6 5.357 1.578 0.627 0.802 0.800 0.400 CB 0.896 Z: 8 8.706 2.041 0.032 0.847 1.000 0.857 CB 1.160 8 residues pruned to eliminate duplicates Z: 16 24.428 2.098 0.582 0.880 1.000 0.600 CA 1.377 16 residues pruned to eliminate duplicates Z: 16 21.866 1.966 0.585 0.829 0.933 0.533 CA 1.462 16 residues pruned to eliminate duplicates Z: 11 15.503 1.915 0.474 0.794 0.900 0.800 CB 1.492 11 residues pruned to eliminate duplicates Z: 12 14.441 1.959 0.294 0.900 1.000 0.636 CB 1.227 12 residues pruned to eliminate duplicates Z: 8 3.299 1.613 0.051 0.339 0.714 0.286 CB 1.228 5 residues pruned to eliminate duplicates Z: 8 3.582 1.660 -0.135 0.674 0.857 0.714 CA 0.937 8 residues pruned to eliminate duplicates Z: 14 9.715 2.019 0.412 0.375 0.769 0.538 CA 1.405 14 residues pruned to eliminate duplicates Z: 22 10.863 1.772 0.567 0.312 0.762 0.571 CB 1.379 22 residues pruned to eliminate duplicates Z: 14 7.845 1.785 0.360 0.338 0.923 0.538 CB 1.159 Z: 9 8.981 1.836 0.236 0.858 1.000 0.625 CB 1.030 9 residues pruned to eliminate duplicates Z: 12 17.548 2.002 0.701 0.855 0.909 0.727 CA 1.261 12 residues pruned to eliminate duplicates Z: 12 14.446 2.099 0.185 0.891 1.000 0.727 CA 1.259 12 residues pruned to eliminate duplicates Z: 12 18.726 1.980 0.507 0.822 1.000 0.545 CA 1.431 12 residues pruned to eliminate duplicates Z: 25 15.479 1.888 0.313 0.563 0.917 0.667 CA 1.308 25 residues pruned to eliminate duplicates Z: 69 33.995 1.961 0.662 0.513 0.912 0.544 CB 1.369 75 residues pruned to eliminate duplicates Z: 13 15.465 1.903 0.410 0.869 1.000 0.917 CB 1.216 13 residues pruned to eliminate duplicates Z: 13 19.189 1.982 0.695 0.829 1.000 0.500 CA 1.240 13 residues pruned to eliminate duplicates Z: 13 21.280 1.939 0.787 0.904 1.000 0.583 CA 1.262 13 residues pruned to eliminate duplicates Z: 13 14.847 1.817 0.485 0.911 0.917 0.750 CB 1.228 13 residues pruned to eliminate duplicates Z: 25 22.697 1.960 0.730 0.505 0.917 0.417 CA 1.484 25 residues pruned to eliminate duplicates Z: 27 28.109 2.055 0.693 0.554 1.000 0.500 CB 1.503 27 residues pruned to eliminate duplicates Z: 10 4.189 1.451 0.191 0.559 0.778 0.667 CB 0.982 10 residues pruned to eliminate duplicates Z: 24 17.716 1.858 0.387 0.623 0.913 0.696 CA 1.398 24 residues pruned to eliminate duplicates Z: 7 6.664 1.810 0.247 0.570 0.833 0.833 CB 1.352 Z: 11 16.368 1.821 0.794 0.896 0.900 0.700 CA 1.261 11 residues pruned to eliminate duplicates Z: 14 13.466 1.966 0.338 0.847 0.923 0.769 CA 1.142 14 residues pruned to eliminate duplicates Z: 11 11.191 1.976 0.612 0.525 0.900 0.700 CB 1.205 14 residues pruned to eliminate duplicates Z: 35 20.534 1.921 0.598 0.463 0.882 0.618 CA 1.351 35 residues pruned to eliminate duplicates 6 1.819 1.536 0.159 0.292 0.600 0.400 CA 0.961 ? Z: 6 3.326 1.449 0.065 0.539 1.000 0.600 CB 0.928 Z: 19 9.153 1.810 0.486 0.327 0.833 0.611 CB 1.163 18 residues pruned to eliminate duplicates Z: 8 11.075 1.980 0.740 0.365 1.000 0.571 CA 1.404 8 residues pruned to eliminate duplicates Z: 6 3.648 1.589 0.208 0.276 0.800 0.800 CA 1.370 6 residues pruned to eliminate duplicates Z: 9 10.339 1.866 0.233 0.871 1.000 0.875 CB 1.158 9 residues pruned to eliminate duplicates Z: 7 4.037 1.535 0.003 0.604 1.000 0.667 O 0.970 Z: 13 14.043 1.702 0.678 0.886 1.000 0.583 CB 1.025 13 residues pruned to eliminate duplicates Z: 19 13.120 1.887 0.457 0.452 0.889 0.611 CB 1.329 19 residues pruned to eliminate duplicates Z: 6 5.776 1.774 0.489 0.267 1.000 0.600 CA 1.275 6 residues pruned to eliminate duplicates Z: 12 6.431 1.484 0.460 0.391 0.818 0.545 CA 1.228 12 residues pruned to eliminate duplicates Z: 7 8.401 1.669 0.758 0.801 1.000 0.667 CA 0.898 7 residues pruned to eliminate duplicates Z: 14 14.927 1.828 0.493 0.792 0.923 0.462 CA 1.272 14 residues pruned to eliminate duplicates Z: 20 10.141 1.815 0.472 0.289 0.895 0.579 CA 1.234 19 residues pruned to eliminate duplicates Z: 11 6.577 1.835 0.199 0.414 0.700 0.600 CA 1.477 11 residues pruned to eliminate duplicates Z: 8 14.753 1.929 0.711 0.618 1.000 1.000 CA 1.512 8 residues pruned to eliminate duplicates Z: 13 9.603 1.926 0.358 0.387 1.000 0.667 CA 1.195 13 residues pruned to eliminate duplicates Z: 16 26.115 2.120 0.682 0.896 1.000 0.733 CA 1.354 16 residues pruned to eliminate duplicates Z: 19 10.681 1.815 0.450 0.543 0.944 0.667 CA 0.971 19 residues pruned to eliminate duplicates Z: 14 20.426 2.025 0.498 0.915 1.000 0.846 CA 1.319 13 residues pruned to eliminate duplicates Z: 16 13.325 1.754 0.212 0.891 1.000 0.800 CB 1.163 16 residues pruned to eliminate duplicates Z: 12 17.939 1.850 0.615 0.897 0.909 0.818 CA 1.426 12 residues pruned to eliminate duplicates Z: 11 13.904 1.849 0.730 0.810 0.900 0.500 CB 1.166 11 residues pruned to eliminate duplicates Z: 17 13.535 1.821 0.155 0.835 1.000 0.812 CA 1.205 17 residues pruned to eliminate duplicates Z: 16 16.044 1.902 0.492 0.685 0.867 0.600 CA 1.422 16 residues pruned to eliminate duplicates Z: 10 8.426 1.749 0.613 0.561 0.667 0.556 O 1.408 7 residues pruned to eliminate duplicates Z: 17 14.624 1.858 0.629 0.471 0.875 0.625 CB 1.421 17 residues pruned to eliminate duplicates Z: 16 18.466 1.973 0.494 0.877 1.000 0.667 CA 1.175 24 residues pruned to eliminate duplicates Z: 15 16.287 1.725 0.695 0.824 1.000 0.714 CA 1.125 15 residues pruned to eliminate duplicates Z: 15 20.331 2.020 0.733 0.895 1.000 0.643 CA 1.112 15 residues pruned to eliminate duplicates Z: 13 19.839 1.881 0.976 0.782 0.917 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 37 20.875 1.953 0.598 0.501 0.861 0.417 CB 1.293 37 residues pruned to eliminate duplicates Z: 12 16.244 1.717 1.025 0.921 1.000 0.636 CB 0.991 12 residues pruned to eliminate duplicates Z: 11 7.042 1.429 0.575 0.394 1.000 0.500 CB 1.106 Z: 37 15.866 1.899 0.346 0.444 0.861 0.528 CB 1.273 37 residues pruned to eliminate duplicates Z: 6 8.983 1.701 0.628 0.800 1.000 0.800 CA 1.116 Z: 6 3.619 1.917 0.056 0.634 0.600 0.600 CA 1.175 6 residues pruned to eliminate duplicates Z: 17 17.285 1.836 0.735 0.589 1.000 0.750 CB 1.245 22 residues pruned to eliminate duplicates Z: 8 7.730 1.746 0.397 0.406 1.000 0.571 CA 1.322 Z: 9 3.638 1.498 0.196 0.337 0.750 0.625 CB 1.144 Z: 12 19.420 1.893 0.608 0.879 1.000 0.636 CA 1.394 13 residues pruned to eliminate duplicates Z: 6 4.209 1.799 0.074 0.703 0.800 0.600 CB 1.012 6 residues pruned to eliminate duplicates Z: 12 14.400 1.887 0.555 0.906 1.000 0.636 CB 1.052 11 residues pruned to eliminate duplicates 8 1.869 1.515 -0.236 0.452 1.000 0.571 CB 0.641 ? Z: 7 14.137 1.893 0.673 0.798 1.000 0.500 CA 1.404 Z: 8 8.141 1.842 0.283 0.390 1.000 0.429 O 1.463 7 residues pruned to eliminate duplicates Z: 15 25.744 1.890 0.929 0.791 0.929 0.500 CB 1.575 15 residues pruned to eliminate duplicates Z: 13 24.972 2.059 0.776 0.867 1.000 0.333 CB 1.443 13 residues pruned to eliminate duplicates Z: 14 16.213 1.875 0.822 0.864 0.846 0.308 CB 1.140 14 residues pruned to eliminate duplicates Z: 6 2.428 1.761 0.618 0.873 1.000 0.800 CB 0.277 6 residues pruned to eliminate duplicates Z: 14 11.944 1.746 0.771 0.348 0.923 0.385 CA 1.368 13 residues pruned to eliminate duplicates 10 1.860 1.348 0.478 0.181 0.778 0.333 N 0.588 ? Z: 7 3.608 1.617 0.137 0.574 0.833 0.500 CB 0.895 Z: 22 10.377 1.739 0.499 0.425 0.810 0.524 CA 1.160 22 residues pruned to eliminate duplicates Z: 9 7.921 1.901 0.515 0.898 1.000 1.000 CA 0.696 9 residues pruned to eliminate duplicates Z: 12 15.612 1.848 0.524 0.877 1.000 0.727 CA 1.214 12 residues pruned to eliminate duplicates Z: 8 5.886 1.516 0.534 0.381 1.000 0.714 CA 1.086 8 residues pruned to eliminate duplicates Z: 14 15.018 2.037 0.718 0.382 0.923 0.923 CA 1.463 14 residues pruned to eliminate duplicates Z: 7 3.050 1.457 0.473 0.083 1.000 0.167 C 0.995 Z: 16 18.619 1.758 0.449 0.850 1.000 0.600 CA 1.398 16 residues pruned to eliminate duplicates Z: 15 13.957 1.726 0.369 0.840 1.000 0.714 CA 1.178 15 residues pruned to eliminate duplicates Z: 27 23.050 2.063 0.862 0.521 0.923 0.769 CA 1.249 27 residues pruned to eliminate duplicates Z: 17 19.029 1.896 0.662 0.833 0.938 0.688 CA 1.208 17 residues pruned to eliminate duplicates Z: 8 10.148 1.874 0.046 0.895 1.000 0.571 CA 1.403 15 residues pruned to eliminate duplicates Z: 18 16.207 1.950 0.375 0.755 0.882 0.765 CA 1.324 18 residues pruned to eliminate duplicates Z: 14 18.093 1.933 0.366 0.907 0.923 0.538 CB 1.463 14 residues pruned to eliminate duplicates Z: 36 18.404 2.001 0.429 0.500 0.829 0.486 CB 1.313 36 residues pruned to eliminate duplicates Z: 15 14.479 1.800 0.464 0.866 0.929 0.571 CA 1.158 15 residues pruned to eliminate duplicates Z: 12 12.245 1.931 0.231 0.843 1.000 0.727 CB 1.156 12 residues pruned to eliminate duplicates Z: 31 20.601 1.977 0.389 0.586 0.933 0.567 CB 1.351 31 residues pruned to eliminate duplicates Z: 7 3.138 1.593 0.160 0.235 0.833 0.333 C 1.131 Z: 12 14.699 1.793 0.607 0.921 1.000 0.818 CB 1.083 12 residues pruned to eliminate duplicates Z: 16 18.406 1.956 0.359 0.890 0.933 0.733 CA 1.378 16 residues pruned to eliminate duplicates Z: 13 22.749 1.988 0.804 0.885 1.000 0.500 CB 1.322 12 residues pruned to eliminate duplicates Z: 9 17.359 2.059 0.887 0.901 1.000 0.500 CB 1.127 9 residues pruned to eliminate duplicates Z: 13 11.131 1.971 0.508 0.330 0.917 0.750 CB 1.422 13 residues pruned to eliminate duplicates Z: 16 26.104 1.983 0.695 0.856 1.000 0.467 CB 1.479 16 residues pruned to eliminate duplicates Z: 12 20.297 2.055 0.525 0.867 1.000 0.545 CB 1.428 12 residues pruned to eliminate duplicates Z: 6 3.506 1.607 0.809 0.449 0.800 0.400 CB 0.711 Z: 43 32.605 2.083 0.650 0.611 0.881 0.643 CB 1.496 43 residues pruned to eliminate duplicates Z: 9 6.641 1.760 0.254 0.461 0.875 0.625 CB 1.266 Z: 17 13.402 2.034 0.288 0.373 1.000 0.750 CB 1.465 17 residues pruned to eliminate duplicates Z: 8 8.588 1.831 0.067 0.692 1.000 0.857 CB 1.393 10 residues pruned to eliminate duplicates Z: 9 4.348 1.605 0.874 0.394 0.500 0.250 CA 1.144 9 residues pruned to eliminate duplicates Z: 20 17.153 2.007 0.831 0.628 0.895 0.684 CA 1.061 20 residues pruned to eliminate duplicates Z: 7 6.974 1.731 0.598 0.683 0.833 0.333 CA 1.045 7 residues pruned to eliminate duplicates Z: 9 3.301 1.546 0.799 0.257 0.875 0.375 CB 0.634 Z: 6 5.176 1.576 0.258 0.727 1.000 0.600 CB 0.951 6 residues pruned to eliminate duplicates Z: 10 4.386 1.447 0.434 0.363 0.778 0.444 CB 1.050 Z: 26 19.332 1.955 0.620 0.476 0.880 0.640 CA 1.421 26 residues pruned to eliminate duplicates Z: 15 7.748 1.569 0.695 0.365 0.857 0.571 CB 1.050 Z: 14 16.571 2.113 0.641 0.475 1.000 0.615 CA 1.359 14 residues pruned to eliminate duplicates Z: 10 21.191 1.950 0.723 0.919 1.000 0.889 CA 1.481 10 residues pruned to eliminate duplicates Z: 12 8.173 1.663 0.376 0.624 0.909 0.727 CB 1.054 12 residues pruned to eliminate duplicates Z: 13 11.497 1.765 0.149 0.896 1.000 0.917 CA 1.172 13 residues pruned to eliminate duplicates Z: 14 21.251 1.869 0.811 0.867 1.000 0.385 CB 1.274 14 residues pruned to eliminate duplicates Z: 14 8.547 1.632 0.602 0.443 1.000 0.538 CB 0.962 12 residues pruned to eliminate duplicates Z: 6 9.168 1.630 0.789 0.756 1.000 1.000 CA 1.120 Z: 6 2.935 1.557 -0.134 0.831 1.000 0.800 CB 0.731 Z: 35 17.919 1.757 0.437 0.481 0.941 0.618 CA 1.318 33 residues pruned to eliminate duplicates Z: 12 7.569 1.584 0.702 0.376 0.818 0.455 CB 1.181 12 residues pruned to eliminate duplicates Z: 32 28.779 2.130 0.544 0.583 1.000 0.613 CA 1.450 32 residues pruned to eliminate duplicates Z: 17 14.347 1.952 0.840 0.576 0.750 0.312 CB 1.237 17 residues pruned to eliminate duplicates Z: 15 19.512 1.784 0.833 0.883 0.857 0.429 CA 1.345 15 residues pruned to eliminate duplicates Z: 14 18.264 1.909 0.489 0.847 0.923 0.692 CA 1.433 14 residues pruned to eliminate duplicates Z: 7 5.868 1.706 0.425 0.898 1.000 0.667 CA 0.704 6 residues pruned to eliminate duplicates 6 1.789 1.303 0.492 0.516 0.600 0.400 CA 0.675 ? Z: 12 13.187 1.757 0.529 0.906 1.000 0.818 CB 1.052 12 residues pruned to eliminate duplicates Z: 13 21.992 2.002 0.596 0.883 1.000 0.833 CB 1.438 13 residues pruned to eliminate duplicates Z: 20 22.636 1.971 0.681 0.678 0.895 0.579 CA 1.487 20 residues pruned to eliminate duplicates Z: 14 14.556 1.580 0.631 0.889 1.000 0.769 CA 1.128 14 residues pruned to eliminate duplicates Z: 16 15.537 1.992 0.676 0.419 0.867 0.600 CA 1.508 16 residues pruned to eliminate duplicates Z: 14 15.863 1.769 0.785 0.871 0.769 0.615 CB 1.321 14 residues pruned to eliminate duplicates Z: 7 5.776 1.658 0.699 0.659 0.833 0.833 CB 0.867 Z: 7 2.320 1.379 0.299 0.374 0.667 0.333 CB 0.908 7 residues pruned to eliminate duplicates Z: 15 7.234 1.659 0.318 0.415 0.857 0.286 CB 1.127 15 residues pruned to eliminate duplicates Z: 63 28.208 1.941 0.607 0.515 0.871 0.484 CB 1.300 53 residues pruned to eliminate duplicates Z: 15 13.772 1.760 0.499 0.873 0.929 0.500 CB 1.095 15 residues pruned to eliminate duplicates Z: 39 35.997 2.090 0.691 0.674 0.974 0.658 CA 1.445 39 residues pruned to eliminate duplicates Z: 6 8.146 1.725 0.412 0.802 1.000 0.800 CA 1.149 6 residues pruned to eliminate duplicates Z: 27 19.155 1.977 0.612 0.562 0.846 0.500 CB 1.311 27 residues pruned to eliminate duplicates Z: 11 8.138 1.724 0.722 0.343 0.800 0.600 N 1.285 17 residues pruned to eliminate duplicates Z: 10 15.258 2.046 0.536 0.810 0.889 0.556 CA 1.390 10 residues pruned to eliminate duplicates Z: 11 5.304 1.497 0.358 0.323 0.900 0.600 N 1.115 Z: 12 8.479 1.667 0.216 0.652 0.909 0.636 CB 1.203 10 residues pruned to eliminate duplicates Z: 6 6.676 1.616 0.571 0.780 1.000 0.800 CA 0.918 6 residues pruned to eliminate duplicates Z: 35 22.929 2.051 0.434 0.482 0.941 0.559 CB 1.447 34 residues pruned to eliminate duplicates Z: 15 18.590 1.820 0.557 0.859 0.857 0.357 CB 1.505 15 residues pruned to eliminate duplicates Z: 15 6.652 1.619 0.509 0.362 0.786 0.500 CA 1.075 24 residues pruned to eliminate duplicates Z: 21 22.488 2.109 0.404 0.604 1.000 0.650 CA 1.538 21 residues pruned to eliminate duplicates Z: 10 16.683 1.943 0.819 0.858 0.778 0.778 CB 1.490 10 residues pruned to eliminate duplicates Z: 15 14.081 1.804 0.285 0.902 1.000 0.786 CA 1.158 15 residues pruned to eliminate duplicates Z: 14 11.993 1.706 0.758 0.859 0.846 0.615 CB 0.965 14 residues pruned to eliminate duplicates Z: 19 14.301 1.798 0.523 0.476 0.944 0.500 CB 1.336 19 residues pruned to eliminate duplicates Z: 6 3.208 1.601 0.414 0.707 0.800 0.400 CB 0.657 Z: 8 2.491 1.403 0.328 0.370 0.714 0.429 N 0.813 Z: 6 5.923 1.386 0.935 0.599 1.000 1.000 CA 0.899 6 residues pruned to eliminate duplicates Z: 15 8.414 1.738 0.387 0.454 0.929 0.643 CA 1.053 15 residues pruned to eliminate duplicates Z: 32 17.532 1.888 0.501 0.411 0.871 0.484 CB 1.401 32 residues pruned to eliminate duplicates Z: 25 20.829 1.971 0.469 0.581 0.958 0.750 CA 1.418 27 residues pruned to eliminate duplicates Z: 7 6.913 1.603 0.382 0.567 1.000 0.833 CB 1.194 7 residues pruned to eliminate duplicates Z: 47 24.751 1.964 0.694 0.448 0.891 0.522 CB 1.299 47 residues pruned to eliminate duplicates Z: 29 24.032 1.976 0.644 0.645 0.929 0.679 CA 1.315 28 residues pruned to eliminate duplicates Z: 18 16.767 1.829 0.674 0.696 1.000 0.588 CA 1.110 18 residues pruned to eliminate duplicates Z: 23 14.829 1.918 0.442 0.522 0.864 0.455 CB 1.296 23 residues pruned to eliminate duplicates Z: 12 20.671 1.937 0.617 0.923 1.000 0.727 CA 1.398 12 residues pruned to eliminate duplicates Z: 17 15.128 1.807 0.449 0.707 0.938 0.688 CB 1.277 17 residues pruned to eliminate duplicates Z: 17 16.537 1.837 0.807 0.609 0.875 0.500 CB 1.284 17 residues pruned to eliminate duplicates Z: 12 14.125 1.940 0.738 0.448 0.909 0.636 CA 1.466 12 residues pruned to eliminate duplicates Z: 6 5.134 1.868 0.123 0.577 1.000 0.600 CB 1.016 6 residues pruned to eliminate duplicates Z: 30 21.757 2.087 0.476 0.517 0.931 0.621 CB 1.386 30 residues pruned to eliminate duplicates Z: 10 4.710 1.547 0.179 0.608 1.000 0.444 CB 0.777 10 residues pruned to eliminate duplicates Z: 21 14.641 1.778 0.669 0.433 0.950 0.600 CB 1.246 21 residues pruned to eliminate duplicates Z: 9 4.080 1.761 -0.013 0.338 0.750 0.625 CA 1.320 9 residues pruned to eliminate duplicates Z: 14 14.302 1.749 0.534 0.821 0.923 0.615 CA 1.213 14 residues pruned to eliminate duplicates Z: 7 5.134 1.588 0.081 0.613 1.000 0.667 CA 1.097 7 residues pruned to eliminate duplicates Z: 6 4.646 1.740 0.237 0.614 0.800 0.600 CB 1.084 6 residues pruned to eliminate duplicates Z: 10 11.806 1.850 0.745 0.863 1.000 0.889 CA 0.895 10 residues pruned to eliminate duplicates Z: 53 32.612 2.031 0.612 0.538 0.923 0.558 CA 1.441 37 residues pruned to eliminate duplicates Z: 14 12.796 2.082 0.317 0.341 1.000 0.692 CA 1.541 14 residues pruned to eliminate duplicates Z: 10 21.604 1.984 1.337 0.867 0.889 0.778 CB 1.278 10 residues pruned to eliminate duplicates Z: 12 15.208 1.933 0.549 0.460 1.000 0.636 CA 1.594 19 residues pruned to eliminate duplicates Z: 16 14.449 1.896 0.621 0.642 0.867 0.533 CB 1.227 16 residues pruned to eliminate duplicates Z: 12 11.679 1.681 0.676 0.905 0.909 0.545 CB 0.979 12 residues pruned to eliminate duplicates Z: 14 21.923 1.821 0.883 0.911 0.923 0.462 CA 1.362 14 residues pruned to eliminate duplicates Z: 7 3.917 1.657 0.131 0.844 0.833 0.833 CB 0.762 Z: 9 12.653 1.944 0.482 0.903 1.000 0.875 CA 1.107 9 residues pruned to eliminate duplicates Z: 7 4.383 1.329 0.461 0.452 0.833 0.333 O 1.161 Z: 12 7.708 1.908 0.663 0.227 0.818 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 6 7.474 1.691 0.212 0.793 1.000 1.000 CA 1.262 Z: 14 8.531 1.732 0.371 0.551 0.846 0.538 CB 1.120 13 residues pruned to eliminate duplicates Z: 6 7.491 1.664 0.263 0.821 1.000 0.800 CA 1.207 6 residues pruned to eliminate duplicates 7 1.785 1.359 -0.040 0.238 0.667 0.333 C 1.135 ? Z: 22 11.731 1.784 0.442 0.373 0.952 0.476 CA 1.196 26 residues pruned to eliminate duplicates Z: 14 19.912 1.798 0.675 0.926 0.923 0.538 CB 1.393 14 residues pruned to eliminate duplicates Z: 8 9.226 1.931 0.553 0.772 1.000 0.857 CB 0.915 8 residues pruned to eliminate duplicates Z: 6 5.469 1.619 0.644 0.486 0.800 0.400 CB 1.165 Z: 85 34.931 2.007 0.619 0.537 0.857 0.524 CB 1.320 131 residues pruned to eliminate duplicates Z: 11 10.158 1.927 0.529 0.417 0.800 0.700 CA 1.486 11 residues pruned to eliminate duplicates Z: 87 35.837 2.023 0.562 0.538 0.837 0.512 CB 1.408 87 residues pruned to eliminate duplicates Z: 14 17.715 1.927 1.075 0.756 0.923 0.769 CB 1.060 14 residues pruned to eliminate duplicates 7 1.661 1.478 -0.001 0.282 0.667 0.333 CB 0.881 ? Z: 18 11.713 1.720 0.615 0.431 0.941 0.588 CB 1.168 18 residues pruned to eliminate duplicates Z: 8 12.480 1.856 0.761 0.801 1.000 0.857 CA 1.110 8 residues pruned to eliminate duplicates Z: 16 23.049 1.968 0.656 0.912 0.933 0.333 CB 1.386 16 residues pruned to eliminate duplicates Z: 42 18.923 1.923 0.363 0.446 0.902 0.585 CB 1.321 42 residues pruned to eliminate duplicates Z: 7 2.342 1.470 0.601 0.138 0.833 0.333 CB 0.765 Z: 7 2.351 1.448 0.061 0.340 0.667 0.500 CB 1.116 7 residues pruned to eliminate duplicates Z: 13 5.637 1.476 0.453 0.366 0.833 0.250 CB 1.051 Z: 13 13.117 1.822 0.352 0.861 0.917 0.583 CA 1.232 13 residues pruned to eliminate duplicates Z: 6 2.698 1.464 0.097 0.657 0.800 0.800 C 0.812 Z: 9 5.711 1.693 0.159 0.715 0.875 0.625 CA 0.968 9 residues pruned to eliminate duplicates Z: 7 6.972 1.719 0.384 0.625 0.833 0.667 CB 1.275 Z: 13 21.039 2.135 0.697 0.862 0.917 0.667 CA 1.343 13 residues pruned to eliminate duplicates Z: 35 16.678 1.792 0.490 0.468 0.882 0.471 CB 1.255 35 residues pruned to eliminate duplicates Z: 13 7.540 1.790 0.809 0.378 0.750 0.250 CB 1.021 13 residues pruned to eliminate duplicates Z: 16 22.921 1.691 0.851 0.929 1.000 0.267 CA 1.324 Z: 12 16.995 1.819 0.489 0.883 1.000 0.818 CA 1.368 12 residues pruned to eliminate duplicates Z: 7 9.100 1.741 0.477 0.693 1.000 0.667 CA 1.212 7 residues pruned to eliminate duplicates Z: 15 12.588 1.719 0.363 0.853 0.929 0.714 CA 1.143 15 residues pruned to eliminate duplicates Z: 11 4.743 1.461 0.381 0.364 0.800 0.600 CB 1.075 Z: 6 7.121 1.637 0.716 0.876 1.000 0.600 CB 0.824 Z: 6 2.349 1.646 -0.176 0.467 1.000 0.400 CB 0.800 Z: 7 9.633 1.955 0.640 0.830 0.833 0.833 CA 1.107 7 residues pruned to eliminate duplicates Z: 21 9.278 1.857 0.171 0.284 0.950 0.500 CB 1.280 21 residues pruned to eliminate duplicates Z: 20 13.033 1.802 0.570 0.447 0.842 0.579 CB 1.326 20 residues pruned to eliminate duplicates Z: 48 14.389 1.776 0.297 0.396 0.915 0.574 CA 1.112 48 residues pruned to eliminate duplicates Z: 9 4.101 1.766 0.098 0.277 0.750 0.500 CA 1.283 9 residues pruned to eliminate duplicates Z: 16 13.018 1.791 0.356 0.852 1.000 0.733 CA 1.024 16 residues pruned to eliminate duplicates Z: 9 2.293 1.380 0.438 0.295 0.750 0.375 CA 0.686 Z: 22 11.281 1.811 0.397 0.553 0.857 0.667 CB 1.078 22 residues pruned to eliminate duplicates Z: 10 16.958 2.061 0.341 0.877 1.000 0.444 CB 1.485 10 residues pruned to eliminate duplicates Z: 6 2.222 1.724 0.039 0.255 0.800 0.400 CB 0.918 6 residues pruned to eliminate duplicates Z: 14 18.001 1.810 0.571 0.771 1.000 0.692 CB 1.381 14 residues pruned to eliminate duplicates Z: 11 7.556 1.809 0.314 0.415 0.900 0.700 CB 1.221 13 residues pruned to eliminate duplicates Z: 11 15.331 1.853 0.884 0.874 1.000 0.800 CA 1.010 11 residues pruned to eliminate duplicates Z: 15 26.886 1.909 0.952 0.921 0.929 0.714 CA 1.461 15 residues pruned to eliminate duplicates Z: 17 13.149 1.777 0.344 0.881 0.938 0.875 CA 1.063 17 residues pruned to eliminate duplicates Z: 13 16.090 1.880 0.473 0.899 1.000 0.917 CA 1.199 13 residues pruned to eliminate duplicates Z: 12 22.294 1.968 0.934 0.884 1.000 0.818 CA 1.276 12 residues pruned to eliminate duplicates Z: 6 3.492 1.460 0.460 0.610 0.800 0.600 CB 0.825 Z: 13 9.467 1.735 0.256 0.468 0.917 0.500 CB 1.414 15 residues pruned to eliminate duplicates Z: 14 11.249 1.793 0.658 0.305 0.923 0.692 CA 1.412 14 residues pruned to eliminate duplicates Z: 18 13.433 1.839 0.580 0.626 0.941 0.588 CA 1.058 18 residues pruned to eliminate duplicates Z: 14 14.097 1.924 0.755 0.745 0.846 0.615 CA 1.099 14 residues pruned to eliminate duplicates Z: 12 18.929 1.858 0.656 0.927 0.909 0.455 CB 1.429 12 residues pruned to eliminate duplicates Z: 21 14.303 1.757 0.364 0.734 0.900 0.750 CB 1.202 Z: 38 22.285 1.963 0.548 0.500 1.000 0.676 CB 1.206 38 residues pruned to eliminate duplicates Z: 16 22.214 2.007 0.870 0.480 1.000 0.600 CA 1.559 16 residues pruned to eliminate duplicates Z: 33 21.977 1.929 0.419 0.536 0.969 0.375 CB 1.413 33 residues pruned to eliminate duplicates Z: 15 11.304 1.707 0.417 0.712 1.000 0.786 CB 1.031 15 residues pruned to eliminate duplicates Z: 8 8.152 1.712 0.247 0.638 1.000 0.857 CB 1.269 8 residues pruned to eliminate duplicates Z: 26 21.575 1.958 0.817 0.608 0.880 0.640 CB 1.244 26 residues pruned to eliminate duplicates Z: 11 10.768 1.877 0.380 0.726 0.800 0.600 CB 1.340 11 residues pruned to eliminate duplicates Z: 6 2.693 1.781 0.214 0.259 0.600 0.600 CB 1.223 Z: 7 5.741 1.801 0.643 0.378 0.667 0.500 N 1.352 7 residues pruned to eliminate duplicates Z: 9 4.979 1.722 0.427 0.345 0.750 0.250 CB 1.131 9 residues pruned to eliminate duplicates Z: 14 10.819 2.043 0.368 0.301 0.923 0.615 CB 1.452 14 residues pruned to eliminate duplicates Z: 9 4.182 1.474 0.231 0.460 0.750 0.250 CB 1.131 9 residues pruned to eliminate duplicates Z: 29 19.887 1.986 0.300 0.601 0.929 0.679 CA 1.424 29 residues pruned to eliminate duplicates Z: 12 5.972 1.707 0.102 0.372 0.818 0.545 N 1.342 Z: 6 3.644 1.352 0.891 0.411 1.000 0.600 CB 0.700 8 1.710 1.342 0.022 0.287 0.714 0.286 CB 0.839 ? Z: 9 11.064 1.922 0.278 0.856 1.000 0.625 CA 1.175 9 residues pruned to eliminate duplicates Z: 6 6.855 1.460 0.898 0.814 1.000 0.600 CA 0.842 7 residues pruned to eliminate duplicates Z: 11 14.228 1.783 0.508 0.891 1.000 0.800 CB 1.203 11 residues pruned to eliminate duplicates Z: 9 9.469 1.680 0.412 0.863 1.000 0.875 CA 1.035 9 residues pruned to eliminate duplicates Z: 24 12.187 1.782 0.499 0.336 0.913 0.522 CA 1.247 24 residues pruned to eliminate duplicates Z: 11 10.682 1.754 0.792 0.703 0.900 0.600 CA 0.992 11 residues pruned to eliminate duplicates Z: 15 11.182 1.575 0.526 0.843 0.929 0.714 CA 0.997 15 residues pruned to eliminate duplicates Z: 40 24.054 1.973 0.472 0.554 0.872 0.538 CB 1.443 40 residues pruned to eliminate duplicates Z: 15 23.684 1.944 0.713 0.859 1.000 0.357 CA 1.398 15 residues pruned to eliminate duplicates Z: 6 8.539 1.749 0.897 0.592 0.800 0.600 CA 1.318 6 residues pruned to eliminate duplicates Z: 6 3.603 1.361 0.721 0.396 0.800 0.400 CB 0.960 Z: 7 3.399 1.439 0.658 0.517 0.833 0.833 CB 0.686 Z: 13 14.015 1.702 0.627 0.933 1.000 1.000 CA 1.020 13 residues pruned to eliminate duplicates Z: 7 3.545 1.608 0.322 0.340 0.833 0.333 O 0.973 Z: 9 8.648 1.813 0.540 0.555 0.875 0.625 CA 1.187 9 residues pruned to eliminate duplicates Z: 9 10.464 1.737 0.450 0.519 1.000 0.375 CB 1.441 9 residues pruned to eliminate duplicates Z: 7 4.275 1.928 -0.008 0.798 0.833 0.833 CB 0.844 7 residues pruned to eliminate duplicates Z: 9 7.090 1.564 0.605 0.529 1.000 0.750 CA 0.970 Z: 57 21.588 1.815 0.523 0.460 0.839 0.446 CB 1.295 104 residues pruned to eliminate duplicates Z: 8 9.725 1.736 0.740 0.688 1.000 0.857 CA 1.024 8 residues pruned to eliminate duplicates Z: 15 18.154 1.805 0.435 0.877 1.000 0.857 CA 1.361 15 residues pruned to eliminate duplicates Z: 6 2.806 1.322 -0.010 0.604 1.000 0.600 CB 0.869 Z: 12 12.387 1.713 0.580 0.891 0.909 0.636 CB 1.092 12 residues pruned to eliminate duplicates Z: 6 4.719 1.961 0.078 0.767 0.600 0.600 CA 1.313 6 residues pruned to eliminate duplicates 6 1.921 1.602 0.061 0.147 0.600 0.200 N 1.303 ? Z: 13 14.160 1.668 0.735 0.913 1.000 0.833 CA 0.999 13 residues pruned to eliminate duplicates Z: 46 24.169 1.963 0.405 0.488 1.000 0.578 CB 1.321 46 residues pruned to eliminate duplicates Z: 6 12.293 1.715 0.994 0.823 1.000 0.800 N 1.215 Z: 11 10.874 1.789 0.721 0.845 0.900 0.800 CA 0.923 11 residues pruned to eliminate duplicates Z: 9 12.178 2.047 0.328 0.884 1.000 0.750 CB 1.145 9 residues pruned to eliminate duplicates Z: 11 3.232 1.387 0.397 0.329 0.700 0.400 N 0.909 Z: 11 15.989 1.881 0.599 0.884 0.900 0.500 CB 1.349 11 residues pruned to eliminate duplicates Z: 7 9.728 1.633 0.703 0.797 1.000 0.667 CA 1.101 7 residues pruned to eliminate duplicates Z: 6 6.458 1.733 0.593 0.665 1.000 0.800 CA 0.898 6 residues pruned to eliminate duplicates Z: 14 18.742 1.896 0.548 0.810 1.000 0.769 CA 1.352 14 residues pruned to eliminate duplicates Z: 15 16.506 1.963 0.471 0.857 1.000 0.643 CA 1.126 15 residues pruned to eliminate duplicates 6 1.929 1.494 0.734 0.133 0.800 0.200 CB 0.657 ? Z: 16 15.740 1.963 0.613 0.821 0.933 0.667 CA 1.041 15 residues pruned to eliminate duplicates Z: 14 8.467 1.763 0.422 0.487 0.769 0.615 CA 1.235 14 residues pruned to eliminate duplicates Z: 96 35.138 1.979 0.607 0.509 0.842 0.453 CB 1.333 96 residues pruned to eliminate duplicates Z: 7 4.826 1.592 0.524 0.497 0.667 0.667 CA 1.221 7 residues pruned to eliminate duplicates Z: 10 2.935 1.690 0.396 0.308 0.556 0.556 CB 0.924 Z: 8 3.754 1.598 -0.001 0.443 1.000 0.571 CB 0.942 7 residues pruned to eliminate duplicates Z: 34 20.797 1.998 0.433 0.524 0.939 0.545 CA 1.314 34 residues pruned to eliminate duplicates Z: 6 4.501 1.692 0.074 0.820 1.000 0.800 CA 0.839 Z: 17 6.664 1.759 0.258 0.574 0.812 0.500 CA 0.862 17 residues pruned to eliminate duplicates Z: 25 9.284 1.706 0.282 0.299 0.833 0.375 CB 1.301 25 residues pruned to eliminate duplicates Z: 52 30.191 1.979 0.707 0.569 0.843 0.569 CB 1.389 52 residues pruned to eliminate duplicates Z: 13 13.981 1.937 0.435 0.906 0.833 0.500 CA 1.239 13 residues pruned to eliminate duplicates 6 1.134 1.449 0.515 0.279 0.800 0.400 CA 0.371 ? Z: 25 16.841 1.901 0.438 0.663 0.917 0.583 CA 1.179 25 residues pruned to eliminate duplicates Z: 8 2.492 1.278 0.344 0.403 0.857 0.429 C 0.708 Z: 13 18.543 2.035 0.625 0.901 0.917 0.583 CB 1.260 12 residues pruned to eliminate duplicates Z: 14 25.546 1.980 0.763 0.915 1.000 0.769 CA 1.435 14 residues pruned to eliminate duplicates Z: 32 27.896 2.035 0.796 0.582 0.935 0.581 CA 1.355 44 residues pruned to eliminate duplicates Z: 6 5.841 1.602 0.638 0.407 1.000 0.400 CA 1.098 Z: 12 9.453 1.759 0.788 0.497 0.818 0.636 CA 1.110 11 residues pruned to eliminate duplicates Z: 23 23.900 2.095 0.505 0.561 0.955 0.591 CB 1.596 23 residues pruned to eliminate duplicates Z: 20 16.650 2.055 0.412 0.503 0.895 0.579 CA 1.467 20 residues pruned to eliminate duplicates Z: 6 3.079 1.237 0.599 0.586 1.000 0.200 CB 0.641 6 residues pruned to eliminate duplicates Z: 13 20.000 1.909 0.689 0.907 0.917 0.667 CA 1.388 13 residues pruned to eliminate duplicates Z: 13 15.943 2.050 0.530 0.632 1.000 0.500 CA 1.296 13 residues pruned to eliminate duplicates Z: 8 5.745 1.623 0.040 0.732 1.000 0.857 CB 1.044 9 residues pruned to eliminate duplicates Z: 10 19.406 2.018 0.731 0.928 1.000 0.556 CA 1.297 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 6.177 1.512 0.538 0.275 0.786 0.571 CB 1.165 15 residues pruned to eliminate duplicates Z: 8 4.993 1.794 0.476 0.337 0.714 0.714 CB 1.192 8 residues pruned to eliminate duplicates Z: 57 24.020 1.867 0.663 0.523 0.893 0.696 CA 1.132 57 residues pruned to eliminate duplicates Z: 22 13.655 1.782 0.742 0.416 0.857 0.476 CA 1.222 22 residues pruned to eliminate duplicates Z: 9 6.987 1.846 0.562 0.316 0.750 0.500 CA 1.399 9 residues pruned to eliminate duplicates Z: 19 12.190 1.758 0.686 0.459 0.889 0.722 CA 1.137 19 residues pruned to eliminate duplicates Z: 15 8.659 1.732 0.108 0.574 0.929 0.714 CB 1.209 15 residues pruned to eliminate duplicates Z: 28 19.481 1.985 0.528 0.478 0.926 0.630 CA 1.364 28 residues pruned to eliminate duplicates Z: 12 8.003 1.866 0.444 0.441 0.909 0.455 CA 1.047 12 residues pruned to eliminate duplicates Z: 64 28.934 1.986 0.455 0.467 0.905 0.603 CB 1.442 65 residues pruned to eliminate duplicates Z: 15 24.699 2.085 0.624 0.759 1.000 0.643 CA 1.549 15 residues pruned to eliminate duplicates Z: 54 33.243 2.030 0.476 0.563 0.981 0.528 CA 1.461 54 residues pruned to eliminate duplicates Z: 17 25.323 2.130 0.629 0.666 0.938 0.500 CA 1.670 17 residues pruned to eliminate duplicates Z: 23 22.965 1.986 0.667 0.558 0.955 0.273 CA 1.465 23 residues pruned to eliminate duplicates Z: 18 21.934 2.007 0.831 0.645 0.882 0.294 CA 1.433 18 residues pruned to eliminate duplicates Z: 31 23.023 1.939 0.727 0.510 0.900 0.500 CB 1.381 31 residues pruned to eliminate duplicates Z: 64 30.122 1.955 0.478 0.505 0.921 0.571 CB 1.420 64 residues pruned to eliminate duplicates Z: 14 27.471 2.060 0.792 0.852 1.000 0.538 CA 1.526 14 residues pruned to eliminate duplicates Z: 14 26.105 2.112 0.777 0.829 0.923 0.538 CA 1.572 14 residues pruned to eliminate duplicates Z: 52 31.775 2.040 0.519 0.548 0.922 0.529 CB 1.487 52 residues pruned to eliminate duplicates Z: 54 33.249 2.033 0.519 0.553 0.943 0.547 CA 1.488 54 residues pruned to eliminate duplicates Z: 14 27.944 2.023 0.897 0.778 1.000 0.462 CA 1.580 14 residues pruned to eliminate duplicates Z: 16 28.299 2.165 0.787 0.708 0.933 0.467 CA 1.675 16 residues pruned to eliminate duplicates Z: 7 7.427 1.802 0.652 0.376 0.833 0.833 N 1.396 7 residues pruned to eliminate duplicates Z: 6 7.693 1.566 0.841 0.720 0.800 0.200 N 1.222 6 residues pruned to eliminate duplicates Z: 8 6.491 1.595 0.227 0.474 1.000 0.429 N 1.288 6 residues pruned to eliminate duplicates Z: 6 5.144 1.708 0.338 0.765 0.800 0.400 CB 0.995 7 residues pruned to eliminate duplicates Z: 8 7.009 1.880 0.223 0.785 0.857 0.714 CA 1.046 7 residues pruned to eliminate duplicates Z: 8 10.156 1.883 0.519 0.756 1.000 0.571 CB 1.069 9 residues pruned to eliminate duplicates Z: 7 7.274 1.929 0.193 0.793 1.000 0.833 CA 0.998 7 residues pruned to eliminate duplicates Z: 9 6.945 1.789 0.090 0.718 1.000 1.000 CA 1.033 9 residues pruned to eliminate duplicates Z: 9 8.468 1.820 0.213 0.715 1.000 0.875 CA 1.116 9 residues pruned to eliminate duplicates Z: 15 11.868 1.750 0.583 0.620 0.929 0.714 CB 1.102 15 residues pruned to eliminate duplicates Z: 19 15.262 1.760 0.753 0.631 0.833 0.778 CB 1.238 12 residues pruned to eliminate duplicates Z: 14 15.655 1.658 0.658 0.822 1.000 0.769 CB 1.195 14 residues pruned to eliminate duplicates Z: 13 16.183 1.928 0.655 0.630 0.917 0.833 CB 1.414 13 residues pruned to eliminate duplicates Z: 10 15.819 1.898 0.597 0.866 1.000 1.000 CB 1.273 10 residues pruned to eliminate duplicates Z: 13 14.343 1.861 0.475 0.727 1.000 0.917 CB 1.229 13 residues pruned to eliminate duplicates Z: 11 15.857 1.983 0.497 0.763 1.000 0.800 CB 1.337 11 residues pruned to eliminate duplicates Z: 13 14.763 1.871 0.585 0.620 1.000 0.667 CB 1.282 13 residues pruned to eliminate duplicates Z: 13 10.321 1.786 0.443 0.608 0.833 0.667 CA 1.252 13 residues pruned to eliminate duplicates Z: 14 18.378 1.822 0.850 0.666 1.000 0.769 CB 1.296 14 residues pruned to eliminate duplicates Z: 24 20.088 1.920 0.694 0.431 0.957 0.565 CA 1.446 24 residues pruned to eliminate duplicates Z: 20 14.630 1.955 0.657 0.252 0.842 0.632 CB 1.636 20 residues pruned to eliminate duplicates Z: 19 14.501 1.910 0.642 0.329 0.889 0.611 CB 1.478 19 residues pruned to eliminate duplicates Z: 16 16.217 2.007 0.876 0.346 0.800 0.533 CA 1.643 16 residues pruned to eliminate duplicates Z: 25 19.278 1.875 0.921 0.450 0.833 0.542 CA 1.381 25 residues pruned to eliminate duplicates Z: 17 16.874 1.980 0.769 0.378 0.875 0.625 CA 1.567 17 residues pruned to eliminate duplicates Z: 22 13.964 1.771 0.682 0.359 0.857 0.619 CA 1.390 17 residues pruned to eliminate duplicates Z: 6 11.897 1.922 1.294 0.693 1.000 0.600 CA 1.011 6 residues pruned to eliminate duplicates Z: 18 14.847 1.879 0.608 0.336 1.000 0.529 CA 1.426 18 residues pruned to eliminate duplicates Z: 15 15.831 2.021 0.639 0.304 1.000 0.429 CA 1.588 15 residues pruned to eliminate duplicates Z: 21 15.143 1.885 0.661 0.413 0.800 0.600 CA 1.481 32 residues pruned to eliminate duplicates Z: 8 6.168 2.165 -0.342 0.752 1.000 1.000 CB 1.307 8 residues pruned to eliminate duplicates Z: 14 9.592 1.936 0.235 0.593 0.923 0.462 CB 1.103 10 residues pruned to eliminate duplicates Z: 9 12.707 1.943 0.435 0.850 1.000 1.000 CB 1.193 9 residues pruned to eliminate duplicates Z: 10 9.254 1.799 0.587 0.773 0.889 0.778 CB 0.955 10 residues pruned to eliminate duplicates Z: 30 15.046 1.856 0.532 0.353 0.897 0.552 CB 1.284 33 residues pruned to eliminate duplicates Z: 8 11.693 1.989 0.812 0.818 1.000 0.857 CB 0.931 8 residues pruned to eliminate duplicates Z: 14 10.386 1.879 0.561 0.569 0.846 0.615 CB 1.086 14 residues pruned to eliminate duplicates Z: 49 33.221 2.035 0.695 0.537 0.938 0.521 CA 1.429 49 residues pruned to eliminate duplicates Z: 52 35.184 2.016 0.659 0.588 0.941 0.569 CA 1.439 52 residues pruned to eliminate duplicates Z: 20 19.917 1.924 0.651 0.651 0.842 0.526 CB 1.485 20 residues pruned to eliminate duplicates Z: 48 33.966 2.025 0.684 0.623 0.915 0.468 CA 1.414 48 residues pruned to eliminate duplicates Z: 45 35.261 2.032 0.837 0.619 0.955 0.432 CA 1.333 45 residues pruned to eliminate duplicates Z: 42 36.571 2.042 0.805 0.633 0.951 0.610 CA 1.437 55 residues pruned to eliminate duplicates Z: 15 27.294 2.050 0.688 0.886 1.000 0.571 CB 1.522 15 residues pruned to eliminate duplicates Z: 33 29.663 2.030 0.791 0.568 0.969 0.469 CA 1.394 33 residues pruned to eliminate duplicates Z: 60 30.710 1.939 0.497 0.558 0.915 0.475 CA 1.423 60 residues pruned to eliminate duplicates Z: 21 25.155 1.862 0.844 0.672 1.000 0.500 CB 1.398 21 residues pruned to eliminate duplicates Z: 29 33.291 2.091 0.765 0.629 1.000 0.464 CA 1.510 29 residues pruned to eliminate duplicates Z: 17 23.077 2.033 0.714 0.759 0.875 0.188 CA 1.503 17 residues pruned to eliminate duplicates Z: 52 37.971 2.002 0.676 0.602 0.961 0.471 CA 1.496 52 residues pruned to eliminate duplicates Z: 15 28.952 2.045 0.718 0.899 1.000 0.214 CB 1.574 15 residues pruned to eliminate duplicates Z: 35 28.227 1.996 0.709 0.523 0.941 0.500 CA 1.475 35 residues pruned to eliminate duplicates Z: 43 33.981 2.037 0.855 0.621 0.857 0.500 CA 1.444 43 residues pruned to eliminate duplicates Z: 40 27.455 2.038 0.630 0.565 0.897 0.538 CA 1.384 40 residues pruned to eliminate duplicates Z: 45 34.419 2.025 0.762 0.619 0.932 0.386 CA 1.395 45 residues pruned to eliminate duplicates Z: 26 15.436 1.918 0.675 0.439 0.920 0.560 CA 1.112 26 residues pruned to eliminate duplicates Z: 44 32.615 2.005 0.717 0.573 0.930 0.279 CA 1.448 44 residues pruned to eliminate duplicates Z: 27 25.683 2.014 0.735 0.544 0.962 0.462 CA 1.435 27 residues pruned to eliminate duplicates Z: 49 37.785 2.042 0.723 0.601 0.958 0.521 CA 1.469 49 residues pruned to eliminate duplicates Z: 33 21.454 1.969 0.714 0.502 0.812 0.406 CA 1.380 33 residues pruned to eliminate duplicates Z: 30 29.240 2.087 0.809 0.596 0.897 0.483 CA 1.463 30 residues pruned to eliminate duplicates Z: 47 32.886 1.994 0.811 0.589 0.870 0.348 CA 1.418 47 residues pruned to eliminate duplicates Z: 34 19.655 1.954 0.507 0.488 0.939 0.515 CA 1.252 34 residues pruned to eliminate duplicates Z: 38 27.466 2.052 0.600 0.593 0.973 0.703 CA 1.294 38 residues pruned to eliminate duplicates Z: 35 27.141 1.981 0.686 0.531 0.941 0.471 CA 1.437 35 residues pruned to eliminate duplicates Z: 47 30.873 1.961 0.776 0.546 0.913 0.500 CA 1.369 47 residues pruned to eliminate duplicates Z: 29 18.299 1.989 0.643 0.452 0.929 0.536 CA 1.197 29 residues pruned to eliminate duplicates Z: 33 27.405 2.039 0.647 0.554 0.969 0.594 CA 1.413 33 residues pruned to eliminate duplicates Z: 49 23.616 1.955 0.582 0.474 0.896 0.583 CA 1.262 49 residues pruned to eliminate duplicates Z: 11 17.415 1.931 0.902 0.806 0.900 0.600 CB 1.275 11 residues pruned to eliminate duplicates Z: 17 18.262 1.964 0.588 0.661 0.875 0.625 CA 1.441 17 residues pruned to eliminate duplicates Z: 14 15.237 1.987 0.687 0.665 0.846 0.538 CA 1.279 14 residues pruned to eliminate duplicates Z: 10 17.450 1.952 0.945 0.812 0.889 0.667 CB 1.314 10 residues pruned to eliminate duplicates Z: 16 14.488 1.791 0.827 0.574 0.867 0.533 CA 1.228 16 residues pruned to eliminate duplicates Z: 14 22.122 1.934 1.035 0.665 0.923 0.385 CA 1.450 14 residues pruned to eliminate duplicates Z: 11 14.331 1.977 1.058 0.640 0.800 0.300 CA 1.221 11 residues pruned to eliminate duplicates Z: 18 17.388 1.938 0.652 0.540 0.882 0.471 CA 1.436 18 residues pruned to eliminate duplicates Z: 16 13.979 1.791 1.010 0.506 0.800 0.333 CB 1.246 16 residues pruned to eliminate duplicates Z: 17 16.682 1.965 0.510 0.584 0.938 0.500 CB 1.383 17 residues pruned to eliminate duplicates Z: 12 19.186 2.065 1.047 0.676 0.818 0.455 CB 1.422 12 residues pruned to eliminate duplicates Z: 21 16.165 1.957 0.425 0.507 0.900 0.600 CB 1.430 21 residues pruned to eliminate duplicates Z: 31 22.615 1.992 0.528 0.527 0.900 0.433 CA 1.468 31 residues pruned to eliminate duplicates Z: 51 34.476 2.020 0.678 0.550 0.920 0.440 CA 1.489 51 residues pruned to eliminate duplicates Z: 11 5.886 1.807 -0.019 0.393 1.000 0.400 CB 1.177 11 residues pruned to eliminate duplicates Z: 10 8.703 1.887 0.364 0.445 0.889 0.556 CA 1.342 10 residues pruned to eliminate duplicates Z: 37 13.418 1.828 0.636 0.274 0.806 0.500 CA 1.199 37 residues pruned to eliminate duplicates Z: 39 20.242 1.943 0.732 0.367 0.895 0.632 CA 1.257 39 residues pruned to eliminate duplicates Z: 35 24.376 2.014 0.738 0.466 0.912 0.588 CA 1.356 35 residues pruned to eliminate duplicates Z: 30 22.325 2.027 0.721 0.446 0.897 0.759 CA 1.401 30 residues pruned to eliminate duplicates Z: 34 18.541 2.015 0.502 0.438 0.879 0.667 CA 1.293 34 residues pruned to eliminate duplicates Z: 31 21.203 1.959 0.633 0.460 0.900 0.633 CB 1.402 31 residues pruned to eliminate duplicates Z: 33 19.453 1.923 0.700 0.434 0.844 0.688 CA 1.335 33 residues pruned to eliminate duplicates Z: 31 20.979 1.944 0.639 0.457 0.933 0.667 CA 1.347 31 residues pruned to eliminate duplicates Z: 36 23.033 1.989 0.671 0.493 0.914 0.686 CA 1.291 36 residues pruned to eliminate duplicates Z: 37 22.592 1.944 0.635 0.450 0.944 0.722 CA 1.319 37 residues pruned to eliminate duplicates Z: 12 13.512 2.037 0.695 0.527 1.000 0.818 CA 1.149 12 residues pruned to eliminate duplicates Z: 39 23.169 1.954 0.682 0.497 0.895 0.711 CA 1.281 39 residues pruned to eliminate duplicates Z: 28 20.761 2.032 0.622 0.496 0.963 0.741 CA 1.264 31 residues pruned to eliminate duplicates Z: 12 16.716 2.070 0.812 0.854 0.909 0.818 CA 1.091 12 residues pruned to eliminate duplicates Z: 40 21.424 1.968 0.734 0.427 0.821 0.590 CA 1.321 40 residues pruned to eliminate duplicates Z: 63 31.964 2.004 0.729 0.476 0.919 0.597 CA 1.306 63 residues pruned to eliminate duplicates Z: 68 31.614 1.880 0.738 0.493 0.866 0.418 CB 1.375 57 residues pruned to eliminate duplicates Z: 14 18.331 1.982 0.817 0.772 0.923 0.769 CA 1.202 14 residues pruned to eliminate duplicates Z: 29 22.406 2.048 0.843 0.470 0.893 0.571 CA 1.295 29 residues pruned to eliminate duplicates Z: 28 21.621 2.032 0.847 0.484 0.889 0.815 CA 1.267 28 residues pruned to eliminate duplicates Z: 30 22.259 2.000 0.813 0.484 0.897 0.759 CA 1.292 30 residues pruned to eliminate duplicates Z: 29 17.565 1.954 0.680 0.451 0.929 0.643 CA 1.144 29 residues pruned to eliminate duplicates Z: 27 20.850 2.056 0.832 0.498 0.923 0.731 CA 1.178 27 residues pruned to eliminate duplicates Z: 46 25.098 2.012 0.834 0.500 0.822 0.644 CA 1.233 46 residues pruned to eliminate duplicates Z: 14 11.955 2.027 0.745 0.324 0.846 0.615 CA 1.344 14 residues pruned to eliminate duplicates Z: 42 20.027 1.901 0.714 0.427 0.878 0.585 CA 1.179 42 residues pruned to eliminate duplicates Z: 39 22.912 1.943 0.715 0.456 0.921 0.684 CA 1.266 39 residues pruned to eliminate duplicates Z: 16 13.535 1.848 0.817 0.333 0.933 0.600 CA 1.339 16 residues pruned to eliminate duplicates Z: 16 13.856 1.901 0.718 0.323 0.933 0.667 CA 1.426 16 residues pruned to eliminate duplicates Z: 27 18.399 1.941 0.715 0.393 0.885 0.538 CA 1.373 27 residues pruned to eliminate duplicates Z: 45 20.864 1.881 0.789 0.405 0.864 0.659 CA 1.196 45 residues pruned to eliminate duplicates Z: 16 14.634 1.860 0.877 0.292 0.933 0.600 CA 1.464 16 residues pruned to eliminate duplicates Z: 13 7.770 1.722 0.734 0.317 0.833 0.583 CB 1.103 13 residues pruned to eliminate duplicates Z: 14 7.076 1.650 0.383 0.352 0.846 0.538 CB 1.193 14 residues pruned to eliminate duplicates Z: 55 29.940 1.918 0.584 0.549 0.907 0.481 CA 1.408 55 residues pruned to eliminate duplicates Z: 7 16.887 2.033 0.846 0.652 1.000 0.833 CA 1.595 11 residues pruned to eliminate duplicates Z: 7 4.389 1.333 0.865 0.406 1.000 0.333 CA 0.796 7 residues pruned to eliminate duplicates Z: 8 10.640 1.819 0.589 0.416 1.000 0.429 CB 1.519 8 residues pruned to eliminate duplicates Z: 10 7.604 1.646 0.558 0.353 0.889 0.333 CB 1.303 10 residues pruned to eliminate duplicates Z: 25 17.368 1.838 0.498 0.597 0.875 0.625 CA 1.342 21 residues pruned to eliminate duplicates Z: 16 17.720 1.901 0.502 0.745 1.000 0.933 CA 1.287 16 residues pruned to eliminate duplicates Z: 27 19.053 1.846 0.473 0.595 0.923 0.615 CA 1.359 28 residues pruned to eliminate duplicates Z: 13 17.424 1.932 0.802 0.878 1.000 0.833 CA 1.048 13 residues pruned to eliminate duplicates Z: 16 16.187 1.826 0.759 0.681 0.867 0.600 CA 1.271 16 residues pruned to eliminate duplicates Z: 25 20.414 1.860 0.597 0.613 0.917 0.708 CA 1.375 25 residues pruned to eliminate duplicates Z: 12 18.512 1.983 0.712 0.912 1.000 0.909 CA 1.164 12 residues pruned to eliminate duplicates Z: 27 21.100 1.802 0.709 0.570 0.885 0.615 CA 1.419 27 residues pruned to eliminate duplicates Z: 25 19.620 1.749 0.708 0.581 0.917 0.375 CB 1.352 25 residues pruned to eliminate duplicates Z: 16 15.830 1.667 0.784 0.720 0.867 0.333 CA 1.300 16 residues pruned to eliminate duplicates Z: 38 23.744 1.808 0.739 0.499 0.919 0.378 CB 1.353 26 residues pruned to eliminate duplicates Z: 12 24.504 1.957 1.087 0.866 1.000 0.182 CA 1.324 12 residues pruned to eliminate duplicates Z: 16 14.219 1.798 0.756 0.615 0.733 0.333 CA 1.421 16 residues pruned to eliminate duplicates Z: 53 26.178 1.817 0.606 0.535 0.904 0.596 CB 1.330 53 residues pruned to eliminate duplicates Z: 9 6.234 1.646 0.358 0.483 0.875 0.500 CB 1.146 9 residues pruned to eliminate duplicates Z: 19 15.800 1.835 0.684 0.591 0.778 0.444 CA 1.420 19 residues pruned to eliminate duplicates Z: 14 9.958 1.825 0.298 0.425 0.923 0.538 CB 1.366 14 residues pruned to eliminate duplicates Z: 14 9.445 1.835 0.377 0.411 0.846 0.538 CB 1.346 14 residues pruned to eliminate duplicates Z: 9 12.345 1.901 0.366 0.562 1.000 0.750 CA 1.583 9 residues pruned to eliminate duplicates Z: 12 9.871 1.888 0.302 0.432 0.818 0.636 CB 1.588 12 residues pruned to eliminate duplicates Z: 20 13.271 1.787 0.683 0.483 0.737 0.474 CA 1.397 20 residues pruned to eliminate duplicates Z: 19 13.589 1.901 0.326 0.573 0.889 0.556 CA 1.332 19 residues pruned to eliminate duplicates Z: 20 10.646 1.838 0.419 0.385 0.789 0.421 CA 1.339 20 residues pruned to eliminate duplicates Z: 41 29.040 1.911 0.609 0.600 0.925 0.475 CA 1.468 40 residues pruned to eliminate duplicates Z: 13 16.229 2.040 0.368 0.821 0.917 0.750 CA 1.385 13 residues pruned to eliminate duplicates Z: 40 24.899 1.851 0.505 0.582 0.949 0.641 CB 1.395 40 residues pruned to eliminate duplicates Z: 13 18.076 1.951 0.476 0.844 1.000 0.750 CB 1.348 13 residues pruned to eliminate duplicates Z: 25 19.396 1.755 0.801 0.593 0.958 0.667 CB 1.196 25 residues pruned to eliminate duplicates Z: 13 17.781 1.992 0.666 0.820 0.917 0.667 CB 1.279 13 residues pruned to eliminate duplicates Z: 49 21.665 1.851 0.523 0.475 0.875 0.583 CB 1.300 49 residues pruned to eliminate duplicates Z: 21 19.167 1.824 0.721 0.608 0.950 0.700 CB 1.296 21 residues pruned to eliminate duplicates Z: 17 23.474 1.964 0.725 0.811 0.938 0.688 CB 1.410 18 residues pruned to eliminate duplicates Z: 13 24.238 2.027 0.933 0.874 0.917 0.750 CA 1.417 13 residues pruned to eliminate duplicates Z: 27 19.880 1.930 0.604 0.576 0.885 0.577 CB 1.322 27 residues pruned to eliminate duplicates Z: 8 10.143 1.737 0.463 0.857 1.000 0.714 CA 1.111 9 residues pruned to eliminate duplicates Z: 6 10.640 2.084 0.416 0.840 0.800 0.800 CA 1.504 6 residues pruned to eliminate duplicates Z: 10 7.718 1.818 0.552 0.657 0.889 0.778 CA 0.887 10 residues pruned to eliminate duplicates Z: 11 7.108 1.739 0.481 0.586 0.800 0.700 CA 1.004 8 residues pruned to eliminate duplicates Z: 8 8.214 1.870 0.426 0.664 0.857 0.571 CA 1.167 8 residues pruned to eliminate duplicates Z: 23 10.154 1.705 0.490 0.385 0.818 0.500 CA 1.176 31 residues pruned to eliminate duplicates Z: 8 8.086 1.975 0.328 0.685 0.857 0.714 CA 1.147 8 residues pruned to eliminate duplicates Z: 11 6.231 1.708 0.480 0.442 0.700 0.400 CA 1.182 17 residues pruned to eliminate duplicates Z: 10 7.368 1.815 0.652 0.432 0.667 0.556 CB 1.317 10 residues pruned to eliminate duplicates Z: 19 10.529 1.809 0.537 0.442 0.833 0.611 CA 1.137 19 residues pruned to eliminate duplicates Z: 7 2.585 1.460 0.315 0.221 0.833 0.333 CB 0.914 7 residues pruned to eliminate duplicates Z: 18 7.111 1.714 0.283 0.285 0.882 0.529 CB 1.132 12 residues pruned to eliminate duplicates Z: 11 12.138 1.838 0.454 0.620 0.900 0.700 CB 1.425 11 residues pruned to eliminate duplicates Z: 11 9.924 1.864 0.291 0.613 0.800 0.700 CB 1.465 11 residues pruned to eliminate duplicates Z: 18 6.990 1.730 0.414 0.477 0.706 0.529 CB 1.004 14 residues pruned to eliminate duplicates Z: 6 10.465 2.043 0.271 0.853 1.000 0.800 CA 1.332 6 residues pruned to eliminate duplicates Z: 13 9.055 1.798 0.359 0.579 0.750 0.667 CB 1.321 13 residues pruned to eliminate duplicates Z: 17 9.015 1.681 0.462 0.570 0.750 0.438 CB 1.142 17 residues pruned to eliminate duplicates Z: 11 12.675 1.925 0.294 0.664 0.900 0.800 CA 1.536 14 residues pruned to eliminate duplicates Z: 8 7.101 1.937 0.072 0.703 0.714 0.571 CB 1.503 8 residues pruned to eliminate duplicates Z: 23 11.698 1.766 0.497 0.447 0.727 0.455 CB 1.370 23 residues pruned to eliminate duplicates Z: 20 13.718 1.805 0.502 0.439 0.842 0.632 CB 1.468 20 residues pruned to eliminate duplicates Z: 18 13.929 1.719 0.891 0.470 0.882 0.647 CB 1.214 17 residues pruned to eliminate duplicates 6 1.564 1.649 0.357 0.276 0.800 0.600 CA 0.503 ? Z: 6 5.437 1.634 0.881 0.453 1.000 1.000 CA 0.830 Z: 6 3.257 1.713 0.534 0.286 0.600 0.600 CA 1.175 6 residues pruned to eliminate duplicates Z: 24 11.393 1.836 0.437 0.281 0.826 0.522 CB 1.395 30 residues pruned to eliminate duplicates Z: 22 8.051 1.827 0.391 0.264 0.714 0.476 CA 1.267 22 residues pruned to eliminate duplicates Z: 38 38.967 2.127 0.622 0.693 1.000 0.703 CB 1.556 38 residues pruned to eliminate duplicates Z: 32 20.895 1.988 0.640 0.553 0.839 0.581 CB 1.304 32 residues pruned to eliminate duplicates Z: 37 30.426 2.122 0.507 0.628 0.944 0.694 CB 1.489 37 residues pruned to eliminate duplicates Z: 39 36.751 2.092 0.611 0.706 1.000 0.658 CA 1.467 39 residues pruned to eliminate duplicates Z: 37 36.967 2.139 0.689 0.671 0.972 0.722 CA 1.499 37 residues pruned to eliminate duplicates Z: 40 33.845 2.107 0.551 0.684 0.949 0.641 CA 1.476 40 residues pruned to eliminate duplicates Z: 48 34.274 2.058 0.751 0.582 0.872 0.553 CB 1.469 48 residues pruned to eliminate duplicates Z: 43 34.696 2.077 0.588 0.648 0.929 0.548 CA 1.522 43 residues pruned to eliminate duplicates Z: 40 33.044 2.094 0.649 0.669 0.923 0.615 CB 1.420 40 residues pruned to eliminate duplicates Z: 48 28.994 2.040 0.649 0.559 0.830 0.468 CB 1.431 48 residues pruned to eliminate duplicates Z: 22 26.296 2.049 0.926 0.662 0.952 0.524 CB 1.314 22 residues pruned to eliminate duplicates Z: 40 38.013 2.142 0.702 0.676 0.923 0.692 CA 1.538 41 residues pruned to eliminate duplicates Z: 17 18.063 1.969 0.787 0.690 0.875 0.625 CB 1.232 17 residues pruned to eliminate duplicates Z: 37 34.916 2.142 0.590 0.678 0.917 0.667 CB 1.582 37 residues pruned to eliminate duplicates Z: 50 30.100 2.001 0.733 0.552 0.857 0.490 CB 1.376 50 residues pruned to eliminate duplicates Z: 41 35.401 2.083 0.696 0.622 0.925 0.600 CB 1.527 41 residues pruned to eliminate duplicates Z: 36 37.752 2.140 0.666 0.678 1.000 0.714 CB 1.519 36 residues pruned to eliminate duplicates Z: 40 34.392 2.107 0.647 0.618 0.974 0.615 CA 1.456 40 residues pruned to eliminate duplicates Z: 38 36.821 2.096 0.646 0.696 1.000 0.757 CB 1.467 38 residues pruned to eliminate duplicates Z: 7 5.886 1.818 0.693 0.300 1.000 0.333 CA 0.976 7 residues pruned to eliminate duplicates Z: 48 31.840 2.062 0.638 0.548 0.915 0.574 CB 1.434 48 residues pruned to eliminate duplicates Z: 49 32.210 2.053 0.656 0.536 0.917 0.542 CB 1.440 49 residues pruned to eliminate duplicates Z: 37 36.396 2.136 0.687 0.648 0.972 0.694 CB 1.508 37 residues pruned to eliminate duplicates Z: 41 36.594 2.103 0.697 0.608 0.950 0.575 CA 1.539 40 residues pruned to eliminate duplicates Z: 13 21.137 2.002 0.441 0.879 1.000 0.500 CB 1.535 13 residues pruned to eliminate duplicates Z: 41 35.551 2.066 0.704 0.612 1.000 0.600 CB 1.436 42 residues pruned to eliminate duplicates Z: 14 18.882 1.996 0.409 0.852 0.923 0.692 CB 1.492 13 residues pruned to eliminate duplicates Z: 14 18.499 1.972 0.357 0.878 0.923 0.769 CB 1.507 14 residues pruned to eliminate duplicates Z: 50 29.438 2.029 0.658 0.520 0.898 0.510 CB 1.364 50 residues pruned to eliminate duplicates Z: 48 31.319 2.051 0.729 0.552 0.894 0.447 CB 1.370 48 residues pruned to eliminate duplicates Z: 73 40.254 2.037 0.706 0.573 0.903 0.514 CB 1.409 73 residues pruned to eliminate duplicates Z: 10 16.503 2.090 0.834 0.689 0.889 0.556 CA 1.358 10 residues pruned to eliminate duplicates Z: 36 36.310 2.066 0.898 0.591 0.971 0.571 CA 1.477 36 residues pruned to eliminate duplicates Z: 39 33.543 2.076 0.757 0.581 0.947 0.526 CA 1.457 39 residues pruned to eliminate duplicates Z: 25 21.176 2.035 0.359 0.562 1.000 0.750 CA 1.471 25 residues pruned to eliminate duplicates Z: 27 16.497 1.861 0.588 0.369 0.962 0.577 CA 1.310 27 residues pruned to eliminate duplicates Z: 59 33.361 2.034 0.682 0.516 0.914 0.500 CB 1.379 59 residues pruned to eliminate duplicates Z: 26 20.839 2.000 0.549 0.555 0.960 0.760 CA 1.328 26 residues pruned to eliminate duplicates Z: 11 7.581 1.848 0.475 0.454 0.800 0.500 CA 1.152 11 residues pruned to eliminate duplicates Z: 15 12.271 1.971 0.421 0.360 1.000 0.429 CA 1.361 15 residues pruned to eliminate duplicates Z: 27 19.916 2.001 0.538 0.536 0.923 0.654 CA 1.327 27 residues pruned to eliminate duplicates Z: 59 42.646 2.084 0.692 0.595 0.983 0.776 CA 1.476 59 residues pruned to eliminate duplicates Z: 6 8.501 1.941 0.569 0.461 1.000 0.400 CA 1.299 6 residues pruned to eliminate duplicates Z: 25 24.333 2.067 0.533 0.588 0.958 0.750 CA 1.504 25 residues pruned to eliminate duplicates Z: 59 40.595 2.091 0.642 0.588 1.000 0.707 CA 1.426 59 residues pruned to eliminate duplicates Z: 24 26.852 2.065 0.648 0.620 1.000 0.826 CA 1.468 24 residues pruned to eliminate duplicates Z: 29 22.351 1.936 0.622 0.549 0.964 0.750 CA 1.329 29 residues pruned to eliminate duplicates Z: 25 23.230 2.036 0.463 0.616 0.917 0.792 CA 1.556 25 residues pruned to eliminate duplicates Z: 26 21.186 2.021 0.556 0.588 0.880 0.760 CA 1.408 26 residues pruned to eliminate duplicates Z: 27 21.045 2.012 0.591 0.550 0.885 0.692 CA 1.388 27 residues pruned to eliminate duplicates Z: 26 23.291 2.011 0.520 0.564 0.960 0.600 CA 1.491 26 residues pruned to eliminate duplicates Z: 25 22.239 2.053 0.540 0.596 0.875 0.625 CA 1.498 25 residues pruned to eliminate duplicates Z: 26 21.650 1.998 0.526 0.585 0.960 0.640 CA 1.364 26 residues pruned to eliminate duplicates Z: 26 20.932 2.043 0.346 0.583 0.960 0.800 CA 1.463 26 residues pruned to eliminate duplicates Z: 26 24.379 2.040 0.489 0.588 0.920 0.680 CB 1.603 26 residues pruned to eliminate duplicates Z: 25 22.252 2.049 0.424 0.612 0.958 0.750 CA 1.461 25 residues pruned to eliminate duplicates Z: 26 20.087 2.025 0.404 0.583 0.920 0.720 CA 1.418 26 residues pruned to eliminate duplicates Z: 17 12.439 1.937 0.507 0.411 0.812 0.500 CB 1.439 17 residues pruned to eliminate duplicates Z: 15 13.707 1.929 0.509 0.452 0.929 0.643 CB 1.424 15 residues pruned to eliminate duplicates Z: 8 11.161 1.617 0.812 0.784 1.000 0.571 CA 1.121 8 residues pruned to eliminate duplicates Z: 7 9.704 1.806 0.664 0.789 1.000 0.500 CA 1.022 7 residues pruned to eliminate duplicates Z: 16 11.908 1.871 0.481 0.437 0.933 0.733 CB 1.268 16 residues pruned to eliminate duplicates Z: 35 15.583 1.878 0.409 0.470 0.912 0.588 CB 1.141 35 residues pruned to eliminate duplicates Z: 65 24.864 1.974 0.351 0.452 0.906 0.594 CA 1.351 65 residues pruned to eliminate duplicates Z: 20 10.085 1.886 0.312 0.398 0.842 0.579 CA 1.236 20 residues pruned to eliminate duplicates Z: 26 17.728 1.900 0.684 0.536 0.880 0.520 CA 1.216 26 residues pruned to eliminate duplicates Z: 16 11.855 1.823 0.488 0.443 0.867 0.533 CB 1.380 16 residues pruned to eliminate duplicates Z: 25 18.177 1.934 0.777 0.524 0.917 0.542 CB 1.151 25 residues pruned to eliminate duplicates Z: 34 18.757 1.780 0.591 0.548 0.939 0.545 CB 1.171 33 residues pruned to eliminate duplicates Z: 8 9.827 1.722 0.836 0.844 1.000 0.429 CB 0.874 8 residues pruned to eliminate duplicates Z: 33 17.815 1.831 0.438 0.542 0.969 0.625 CA 1.185 33 residues pruned to eliminate duplicates Z: 28 17.821 1.827 0.641 0.535 0.926 0.630 CA 1.194 28 residues pruned to eliminate duplicates Z: 20 13.865 1.892 0.424 0.489 0.947 0.526 CA 1.259 20 residues pruned to eliminate duplicates Z: 22 12.170 1.867 0.733 0.515 0.762 0.476 CB 1.062 22 residues pruned to eliminate duplicates Z: 15 6.662 1.729 0.665 0.595 0.714 0.500 CA 0.791 15 residues pruned to eliminate duplicates Z: 33 18.555 1.919 0.539 0.520 0.875 0.625 CA 1.244 33 residues pruned to eliminate duplicates Z: 18 10.644 1.855 0.759 0.491 0.824 0.647 CB 0.969 18 residues pruned to eliminate duplicates Z: 30 16.606 1.876 0.578 0.490 0.862 0.621 CB 1.221 30 residues pruned to eliminate duplicates Z: 34 18.059 1.869 0.566 0.522 0.879 0.667 CA 1.196 34 residues pruned to eliminate duplicates Z: 34 18.339 1.901 0.539 0.515 0.879 0.576 CA 1.223 34 residues pruned to eliminate duplicates Z: 49 26.774 2.006 0.627 0.529 0.875 0.667 CA 1.314 49 residues pruned to eliminate duplicates Z: 33 19.592 1.940 0.484 0.566 0.938 0.562 CA 1.204 33 residues pruned to eliminate duplicates Z: 37 23.597 2.014 0.514 0.589 0.944 0.639 CB 1.254 37 residues pruned to eliminate duplicates Z: 40 19.709 2.020 0.292 0.404 0.923 0.615 CA 1.449 40 residues pruned to eliminate duplicates Z: 23 17.347 2.034 0.465 0.498 0.909 0.636 CA 1.367 23 residues pruned to eliminate duplicates Z: 37 26.638 2.113 0.537 0.488 0.917 0.556 CA 1.509 37 residues pruned to eliminate duplicates Z: 16 18.360 1.991 0.471 0.657 1.000 0.667 CA 1.400 16 residues pruned to eliminate duplicates Z: 40 19.499 1.956 0.499 0.419 0.821 0.410 CB 1.413 40 residues pruned to eliminate duplicates Z: 62 30.390 2.024 0.645 0.457 0.885 0.639 CA 1.380 60 residues pruned to eliminate duplicates Z: 13 26.069 2.094 0.905 0.831 1.000 0.750 CA 1.418 13 residues pruned to eliminate duplicates Z: 62 32.827 2.053 0.611 0.494 0.885 0.656 CA 1.443 62 residues pruned to eliminate duplicates Z: 14 21.284 2.051 0.856 0.811 0.923 0.615 CA 1.282 14 residues pruned to eliminate duplicates Z: 31 19.557 2.073 0.386 0.580 0.900 0.667 CA 1.279 31 residues pruned to eliminate duplicates Z: 14 13.913 2.210 0.212 0.599 0.846 0.615 CA 1.549 14 residues pruned to eliminate duplicates Z: 22 17.923 2.092 0.402 0.512 0.952 0.667 CA 1.384 22 residues pruned to eliminate duplicates Z: 40 24.348 2.023 0.565 0.583 0.872 0.667 CA 1.304 40 residues pruned to eliminate duplicates Z: 27 27.004 2.197 0.606 0.512 0.962 0.692 CA 1.542 27 residues pruned to eliminate duplicates Z: 29 25.296 2.176 0.559 0.494 0.893 0.679 CA 1.587 29 residues pruned to eliminate duplicates Z: 38 23.024 2.052 0.504 0.489 0.865 0.676 CA 1.434 38 residues pruned to eliminate duplicates Z: 38 25.206 2.086 0.448 0.490 0.919 0.676 CA 1.508 38 residues pruned to eliminate duplicates Z: 31 24.655 2.163 0.526 0.453 0.900 0.633 CA 1.591 31 residues pruned to eliminate duplicates Z: 29 24.460 2.069 0.588 0.511 0.964 0.607 CA 1.443 29 residues pruned to eliminate duplicates Z: 6 5.415 1.463 0.747 0.403 1.000 0.400 CA 1.050 Z: 7 6.362 1.681 0.531 0.517 0.833 0.833 CA 1.191 13 residues pruned to eliminate duplicates Z: 61 29.942 1.994 0.552 0.509 0.917 0.633 CB 1.350 61 residues pruned to eliminate duplicates Z: 39 23.601 2.024 0.469 0.464 0.921 0.579 CA 1.451 39 residues pruned to eliminate duplicates Z: 30 25.551 2.155 0.519 0.506 0.931 0.828 CB 1.547 30 residues pruned to eliminate duplicates Z: 59 33.168 2.083 0.664 0.526 0.862 0.603 CB 1.421 61 residues pruned to eliminate duplicates Z: 6 4.386 1.607 0.179 0.442 1.000 0.800 CB 1.099 6 residues pruned to eliminate duplicates Z: 11 15.617 1.848 0.690 0.866 0.900 0.500 CA 1.287 11 residues pruned to eliminate duplicates Z: 12 15.004 1.851 0.723 0.774 0.909 0.545 CA 1.225 13 residues pruned to eliminate duplicates Z: 11 14.972 1.857 0.608 0.834 0.900 0.400 CB 1.321 11 residues pruned to eliminate duplicates Z: 11 18.361 1.865 0.653 0.855 1.000 0.900 CB 1.390 11 residues pruned to eliminate duplicates Z: 12 16.888 1.771 0.677 0.911 0.909 0.909 CB 1.337 12 residues pruned to eliminate duplicates Z: 10 18.165 1.932 0.621 0.921 1.000 0.889 CB 1.361 10 residues pruned to eliminate duplicates Z: 14 12.013 1.813 0.654 0.730 0.769 0.615 CA 1.174 14 residues pruned to eliminate duplicates Z: 14 16.252 1.831 0.845 0.725 0.846 0.615 CB 1.287 14 residues pruned to eliminate duplicates Z: 14 18.605 1.870 0.743 0.735 1.000 0.615 CA 1.283 12 residues pruned to eliminate duplicates Z: 14 12.179 1.620 0.686 0.890 1.000 0.769 CA 0.890 14 residues pruned to eliminate duplicates Z: 13 12.878 1.808 0.689 0.761 0.917 0.833 CB 1.054 13 residues pruned to eliminate duplicates Z: 13 10.698 1.771 0.687 0.765 0.917 0.833 CB 0.891 13 residues pruned to eliminate duplicates Z: 12 13.748 1.831 0.803 0.840 0.909 0.727 CB 1.031 12 residues pruned to eliminate duplicates Z: 13 9.406 1.783 0.567 0.759 0.917 0.500 CB 0.842 13 residues pruned to eliminate duplicates Z: 13 11.918 1.811 0.557 0.770 1.000 0.750 CB 0.960 13 residues pruned to eliminate duplicates Z: 13 11.667 1.799 0.672 0.755 0.917 0.750 CB 0.973 13 residues pruned to eliminate duplicates Z: 12 13.256 1.763 0.832 0.836 0.818 0.727 CB 1.132 12 residues pruned to eliminate duplicates Z: 15 12.335 1.723 0.586 0.720 0.929 0.643 CA 1.065 15 residues pruned to eliminate duplicates Z: 13 11.632 1.779 0.461 0.763 1.000 0.667 CB 1.023 13 residues pruned to eliminate duplicates Z: 23 11.260 1.680 0.575 0.577 0.864 0.591 CA 0.975 23 residues pruned to eliminate duplicates Z: 9 9.382 1.827 0.473 0.531 1.000 0.750 CA 1.195 9 residues pruned to eliminate duplicates Z: 7 10.432 1.954 0.410 0.650 1.000 0.833 CA 1.344 7 residues pruned to eliminate duplicates Z: 12 5.483 1.562 0.615 0.393 0.818 0.455 CA 0.897 12 residues pruned to eliminate duplicates Z: 10 9.798 1.773 0.632 0.501 1.000 0.778 CA 1.128 10 residues pruned to eliminate duplicates Z: 23 18.096 1.757 0.779 0.645 0.955 0.682 CA 1.129 23 residues pruned to eliminate duplicates Z: 6 4.180 1.793 0.040 0.423 0.800 0.600 CA 1.358 6 residues pruned to eliminate duplicates Z: 9 9.820 1.821 0.727 0.521 0.875 0.625 CA 1.236 9 residues pruned to eliminate duplicates Z: 28 15.685 1.739 0.615 0.528 0.889 0.593 CA 1.176 28 residues pruned to eliminate duplicates Z: 26 18.205 1.762 0.639 0.548 0.920 0.800 CA 1.308 26 residues pruned to eliminate duplicates Z: 26 18.498 1.788 0.507 0.595 0.960 0.760 CA 1.306 26 residues pruned to eliminate duplicates Z: 28 16.921 1.738 0.575 0.520 0.926 0.556 CA 1.260 28 residues pruned to eliminate duplicates Z: 39 22.756 1.733 0.651 0.598 0.947 0.632 CA 1.241 39 residues pruned to eliminate duplicates Z: 37 23.210 1.770 0.739 0.622 0.917 0.639 CA 1.223 37 residues pruned to eliminate duplicates Z: 26 17.289 1.771 0.559 0.569 0.960 0.600 CA 1.221 26 residues pruned to eliminate duplicates Z: 38 26.993 1.787 0.788 0.640 0.973 0.703 CB 1.252 38 residues pruned to eliminate duplicates Z: 26 17.531 1.760 0.653 0.569 0.880 0.680 CA 1.280 26 residues pruned to eliminate duplicates Z: 26 19.308 1.756 0.599 0.560 0.960 0.440 CA 1.351 26 residues pruned to eliminate duplicates Z: 40 23.325 1.763 0.573 0.637 0.949 0.513 CB 1.249 40 residues pruned to eliminate duplicates Z: 17 13.238 1.762 0.416 0.601 0.938 0.438 CA 1.286 17 residues pruned to eliminate duplicates Z: 39 20.540 1.708 0.775 0.569 0.921 0.605 CB 1.116 39 residues pruned to eliminate duplicates Z: 26 17.406 1.727 0.669 0.464 0.920 0.560 CA 1.362 26 residues pruned to eliminate duplicates Z: 25 16.654 1.717 0.605 0.485 0.917 0.625 CB 1.365 25 residues pruned to eliminate duplicates 9 1.922 1.493 0.327 0.141 0.500 0.250 N 1.070 ? Z: 16 7.424 1.602 0.464 0.354 0.933 0.600 CB 1.025 16 residues pruned to eliminate duplicates Z: 22 22.445 2.026 0.628 0.671 1.000 0.667 CA 1.268 26 residues pruned to eliminate duplicates Z: 7 6.868 1.699 0.457 0.613 1.000 0.833 CA 1.017 12 residues pruned to eliminate duplicates Z: 6 6.902 1.797 0.687 0.625 1.000 0.600 CA 0.905 6 residues pruned to eliminate duplicates Z: 14 7.140 1.674 0.329 0.463 0.846 0.462 CB 1.092 14 residues pruned to eliminate duplicates Z: 23 21.213 2.010 0.482 0.639 0.955 0.636 CA 1.396 21 residues pruned to eliminate duplicates Z: 6 5.341 1.816 0.601 0.414 1.000 0.600 CA 0.899 6 residues pruned to eliminate duplicates Z: 45 23.574 1.856 0.611 0.510 0.909 0.659 CA 1.294 50 residues pruned to eliminate duplicates Z: 14 17.899 2.152 0.470 0.802 0.923 0.692 CA 1.305 14 residues pruned to eliminate duplicates Z: 25 19.753 1.950 0.586 0.602 0.958 0.667 CA 1.235 22 residues pruned to eliminate duplicates Z: 14 18.238 2.101 0.324 0.857 1.000 0.462 CA 1.340 14 residues pruned to eliminate duplicates Z: 22 23.315 2.001 0.726 0.658 1.000 0.476 CA 1.272 26 residues pruned to eliminate duplicates Z: 16 17.623 2.005 0.463 0.861 0.867 0.600 CA 1.316 16 residues pruned to eliminate duplicates Z: 21 22.718 2.072 0.569 0.722 0.950 0.700 CA 1.346 21 residues pruned to eliminate duplicates Z: 24 23.548 1.987 0.621 0.649 1.000 0.696 CA 1.327 23 residues pruned to eliminate duplicates Z: 14 27.219 2.070 0.806 0.937 1.000 0.615 CA 1.405 14 residues pruned to eliminate duplicates Z: 15 26.018 2.058 0.898 0.891 1.000 0.500 CA 1.279 15 residues pruned to eliminate duplicates Z: 16 22.120 2.004 0.631 0.878 0.933 0.533 CA 1.359 16 residues pruned to eliminate duplicates Z: 21 28.963 2.085 0.709 0.737 1.000 0.700 CA 1.469 21 residues pruned to eliminate duplicates Z: 23 26.121 2.026 0.709 0.672 1.000 0.545 CA 1.373 23 residues pruned to eliminate duplicates Z: 21 23.189 2.033 0.714 0.656 0.950 0.500 CB 1.354 21 residues pruned to eliminate duplicates Z: 12 10.996 1.968 0.408 0.339 0.909 0.636 CA 1.568 12 residues pruned to eliminate duplicates Z: 14 12.013 1.925 0.505 0.271 0.923 0.385 CA 1.615 14 residues pruned to eliminate duplicates Z: 24 15.374 1.804 0.567 0.409 0.913 0.609 CA 1.366 22 residues pruned to eliminate duplicates Z: 8 8.253 1.799 0.533 0.543 0.857 0.429 CA 1.265 8 residues pruned to eliminate duplicates Z: 11 11.881 2.021 0.558 0.322 0.900 0.600 CA 1.612 11 residues pruned to eliminate duplicates Z: 14 12.158 1.941 0.595 0.309 0.846 0.538 CA 1.590 14 residues pruned to eliminate duplicates Z: 11 12.212 2.021 0.677 0.324 0.900 0.500 CA 1.536 11 residues pruned to eliminate duplicates Z: 23 12.614 1.833 0.517 0.361 0.909 0.591 CA 1.235 23 residues pruned to eliminate duplicates Z: 13 10.577 1.921 0.529 0.344 0.917 0.667 CA 1.344 13 residues pruned to eliminate duplicates Z: 6 2.216 1.608 0.244 0.100 0.800 0.400 CB 1.032 Z: 7 6.705 1.576 0.477 0.497 1.000 0.667 CB 1.180 19 residues pruned to eliminate duplicates Z: 7 5.152 1.718 0.725 0.654 1.000 0.833 CA 0.615 7 residues pruned to eliminate duplicates Z: 18 6.481 1.608 0.268 0.255 0.941 0.529 CB 1.085 18 residues pruned to eliminate duplicates Z: 12 7.409 1.630 0.441 0.397 1.000 0.545 CB 1.060 13 residues pruned to eliminate duplicates Z: 19 17.793 2.012 0.413 0.765 1.000 0.722 CA 1.166 19 residues pruned to eliminate duplicates Z: 32 26.926 2.094 0.560 0.589 0.968 0.613 CA 1.404 32 residues pruned to eliminate duplicates Z: 35 23.671 2.032 0.598 0.488 0.912 0.471 CB 1.388 35 residues pruned to eliminate duplicates Z: 32 27.255 2.113 0.582 0.561 1.000 0.742 CA 1.381 32 residues pruned to eliminate duplicates Z: 23 18.283 1.988 0.317 0.613 0.955 0.591 CB 1.401 23 residues pruned to eliminate duplicates Z: 12 9.200 1.998 0.376 0.366 0.909 0.455 CB 1.280 12 residues pruned to eliminate duplicates Z: 31 28.006 2.119 0.647 0.566 1.000 0.633 CA 1.375 31 residues pruned to eliminate duplicates Z: 32 25.762 2.120 0.562 0.511 0.968 0.419 CA 1.428 32 residues pruned to eliminate duplicates Z: 35 23.219 2.042 0.585 0.518 0.912 0.588 CA 1.326 35 residues pruned to eliminate duplicates Z: 54 29.479 2.010 0.562 0.544 0.925 0.642 CB 1.337 54 residues pruned to eliminate duplicates Z: 51 28.821 1.997 0.665 0.548 0.880 0.620 CB 1.330 51 residues pruned to eliminate duplicates Z: 27 22.389 2.077 0.503 0.556 0.962 0.538 CA 1.385 27 residues pruned to eliminate duplicates Z: 55 29.240 2.009 0.559 0.574 0.944 0.667 CB 1.252 55 residues pruned to eliminate duplicates Z: 46 22.435 1.915 0.502 0.535 0.889 0.422 CB 1.264 46 residues pruned to eliminate duplicates Z: 32 28.707 2.114 0.655 0.541 0.968 0.613 CA 1.463 32 residues pruned to eliminate duplicates Z: 35 27.141 2.009 0.671 0.523 0.941 0.441 CB 1.440 35 residues pruned to eliminate duplicates Z: 34 25.729 2.087 0.665 0.545 0.909 0.636 CA 1.357 34 residues pruned to eliminate duplicates Z: 33 28.233 2.060 0.693 0.547 1.000 0.469 CA 1.368 33 residues pruned to eliminate duplicates Z: 34 26.365 2.045 0.640 0.542 0.970 0.515 CB 1.354 34 residues pruned to eliminate duplicates Z: 39 23.275 1.993 0.478 0.509 0.921 0.579 CB 1.380 39 residues pruned to eliminate duplicates Z: 34 24.092 2.016 0.545 0.557 0.939 0.636 CA 1.356 34 residues pruned to eliminate duplicates Z: 32 24.105 2.084 0.510 0.570 0.935 0.710 CA 1.374 32 residues pruned to eliminate duplicates Z: 10 6.963 2.036 0.428 0.333 0.889 0.778 CA 1.078 10 residues pruned to eliminate duplicates Z: 35 24.702 2.055 0.564 0.570 0.912 0.706 CB 1.351 35 residues pruned to eliminate duplicates Z: 34 25.945 2.045 0.625 0.557 0.909 0.636 CB 1.414 34 residues pruned to eliminate duplicates Z: 32 28.237 2.127 0.692 0.584 0.903 0.677 CB 1.439 32 residues pruned to eliminate duplicates Z: 40 24.268 1.931 0.639 0.504 0.923 0.590 CA 1.325 40 residues pruned to eliminate duplicates Z: 36 25.740 2.062 0.633 0.516 0.943 0.657 CB 1.350 36 residues pruned to eliminate duplicates Z: 32 24.289 2.117 0.427 0.559 0.935 0.645 CA 1.458 32 residues pruned to eliminate duplicates Z: 35 26.761 2.034 0.729 0.526 0.912 0.588 CA 1.395 35 residues pruned to eliminate duplicates Z: 19 12.058 1.904 0.590 0.317 0.833 0.556 CA 1.379 19 residues pruned to eliminate duplicates Z: 37 28.238 2.036 0.677 0.533 0.917 0.639 CA 1.456 44 residues pruned to eliminate duplicates Z: 18 21.974 1.951 0.801 0.755 1.000 0.529 CB 1.208 18 residues pruned to eliminate duplicates Z: 36 23.664 1.992 0.654 0.504 0.943 0.571 CA 1.283 36 residues pruned to eliminate duplicates Z: 33 21.882 2.012 0.579 0.537 0.906 0.531 CA 1.295 33 residues pruned to eliminate duplicates Z: 34 23.574 1.945 0.663 0.517 1.000 0.606 CA 1.247 34 residues pruned to eliminate duplicates Z: 51 30.760 2.024 0.629 0.528 0.920 0.660 CB 1.395 51 residues pruned to eliminate duplicates Z: 35 19.557 1.863 0.653 0.441 0.912 0.412 CA 1.269 35 residues pruned to eliminate duplicates Z: 30 21.670 1.968 0.690 0.522 0.897 0.586 CA 1.320 30 residues pruned to eliminate duplicates Z: 54 30.841 1.996 0.581 0.582 0.943 0.566 CA 1.316 54 residues pruned to eliminate duplicates Z: 39 24.166 1.968 0.724 0.487 0.921 0.526 CA 1.271 39 residues pruned to eliminate duplicates Z: 34 27.004 2.007 0.701 0.555 1.000 0.545 CA 1.305 34 residues pruned to eliminate duplicates Z: 37 26.596 2.012 0.691 0.482 0.972 0.528 CA 1.364 37 residues pruned to eliminate duplicates Z: 36 24.873 1.993 0.652 0.514 0.971 0.600 CA 1.297 36 residues pruned to eliminate duplicates Z: 54 30.394 1.983 0.591 0.537 0.943 0.623 CA 1.352 54 residues pruned to eliminate duplicates Z: 45 27.018 1.977 0.585 0.513 0.955 0.523 CA 1.345 45 residues pruned to eliminate duplicates Z: 44 21.726 1.892 0.583 0.466 0.907 0.395 CB 1.263 44 residues pruned to eliminate duplicates Z: 37 25.061 2.024 0.591 0.513 0.972 0.583 CA 1.318 37 residues pruned to eliminate duplicates Z: 21 15.391 1.978 0.526 0.361 0.900 0.500 CA 1.472 21 residues pruned to eliminate duplicates Z: 9 4.754 1.519 0.652 0.330 0.750 0.500 CB 1.077 Z: 6 4.379 1.558 0.704 0.361 0.800 0.200 CA 1.071 Z: 16 18.499 1.987 0.548 0.718 1.000 0.667 CA 1.275 22 residues pruned to eliminate duplicates Z: 19 11.491 1.879 0.534 0.395 0.833 0.389 CB 1.260 19 residues pruned to eliminate duplicates Z: 20 17.704 2.035 0.469 0.655 0.895 0.684 CA 1.315 20 residues pruned to eliminate duplicates Z: 20 21.292 2.042 0.781 0.653 0.842 0.526 CA 1.383 20 residues pruned to eliminate duplicates Z: 20 23.285 2.041 0.817 0.653 0.895 0.579 CA 1.396 20 residues pruned to eliminate duplicates Z: 24 19.570 1.933 0.749 0.586 0.913 0.522 CB 1.217 24 residues pruned to eliminate duplicates Z: 19 26.809 2.015 0.917 0.692 1.000 0.611 CB 1.373 19 residues pruned to eliminate duplicates Z: 19 21.834 2.069 0.662 0.707 0.889 0.556 CB 1.395 19 residues pruned to eliminate duplicates Z: 23 17.184 1.949 0.716 0.592 0.909 0.409 CB 1.103 23 residues pruned to eliminate duplicates Z: 19 20.901 2.043 0.623 0.662 0.889 0.556 CB 1.438 19 residues pruned to eliminate duplicates Z: 19 23.530 2.058 0.690 0.692 0.944 0.556 CA 1.417 19 residues pruned to eliminate duplicates Z: 21 22.943 2.042 0.615 0.667 0.950 0.600 CB 1.404 36 residues pruned to eliminate duplicates Z: 13 27.001 2.110 0.945 0.881 1.000 0.500 CB 1.375 13 residues pruned to eliminate duplicates Z: 21 21.114 2.021 0.737 0.628 0.900 0.500 CB 1.324 21 residues pruned to eliminate duplicates Z: 14 20.653 2.146 0.665 0.801 0.846 0.538 CB 1.456 14 residues pruned to eliminate duplicates Z: 57 29.151 1.977 0.567 0.548 0.946 0.482 CA 1.268 57 residues pruned to eliminate duplicates Z: 7 3.738 1.688 0.449 0.538 1.000 0.667 CB 0.601 3 residues pruned to eliminate duplicates Z: 6 5.105 1.696 0.801 0.369 0.800 0.200 CB 1.075 6 residues pruned to eliminate duplicates Z: 34 17.588 1.941 0.643 0.493 0.818 0.545 CB 1.181 34 residues pruned to eliminate duplicates Z: 9 6.454 1.782 0.752 0.283 0.750 0.250 CB 1.245 9 residues pruned to eliminate duplicates Z: 49 31.485 2.028 0.609 0.592 0.875 0.500 CB 1.458 49 residues pruned to eliminate duplicates Z: 13 6.316 1.798 0.444 0.324 0.750 0.250 CB 1.136 13 residues pruned to eliminate duplicates Z: 49 25.838 1.994 0.583 0.540 0.854 0.646 CB 1.330 49 residues pruned to eliminate duplicates Z: 41 26.509 2.005 0.545 0.582 0.875 0.600 CA 1.428 41 residues pruned to eliminate duplicates Z: 10 6.690 1.620 0.412 0.454 0.778 0.556 CA 1.313 16 residues pruned to eliminate duplicates Z: 7 7.775 1.831 0.422 0.551 0.833 0.500 CA 1.392 8 residues pruned to eliminate duplicates Z: 6 8.526 1.937 0.577 0.537 0.800 0.600 CA 1.505 6 residues pruned to eliminate duplicates Z: 7 5.864 1.541 0.841 0.722 0.667 0.167 CA 1.036 7 residues pruned to eliminate duplicates Z: 10 8.850 1.701 0.543 0.372 1.000 0.444 CB 1.289 6 residues pruned to eliminate duplicates Z: 10 10.556 1.525 0.762 0.529 1.000 0.556 C 1.272 10 residues pruned to eliminate duplicates Z: 13 8.152 1.561 0.529 0.327 0.917 0.500 CA 1.300 13 residues pruned to eliminate duplicates Z: 21 7.919 1.499 0.580 0.280 0.950 0.500 CB 1.009 11 residues pruned to eliminate duplicates 7 1.372 1.357 0.520 0.248 0.667 0.500 CB 0.544 ? Z: 7 3.918 1.391 0.187 0.464 1.000 0.833 CB 1.006 7 residues pruned to eliminate duplicates Z: 16 5.870 1.614 0.188 0.357 0.933 0.600 CB 0.989 29 residues pruned to eliminate duplicates Z: 17 17.437 1.952 0.331 0.814 1.000 0.812 CA 1.277 17 residues pruned to eliminate duplicates Z: 26 18.940 2.005 0.250 0.614 1.000 0.680 CB 1.356 26 residues pruned to eliminate duplicates Z: 47 20.233 1.948 0.471 0.394 0.913 0.609 CB 1.276 47 residues pruned to eliminate duplicates Z: 31 12.538 1.806 0.296 0.450 0.833 0.533 CB 1.235 31 residues pruned to eliminate duplicates Z: 37 22.080 2.010 0.450 0.469 0.972 0.528 CB 1.339 37 residues pruned to eliminate duplicates Z: 38 19.518 1.980 0.366 0.448 0.946 0.541 CB 1.324 38 residues pruned to eliminate duplicates Z: 26 15.335 1.905 0.293 0.557 0.960 0.400 CB 1.227 26 residues pruned to eliminate duplicates Z: 63 26.714 1.942 0.492 0.428 0.984 0.565 CB 1.283 63 residues pruned to eliminate duplicates Z: 26 17.463 1.907 0.396 0.540 0.960 0.560 CA 1.314 26 residues pruned to eliminate duplicates Z: 34 17.573 1.922 0.359 0.514 0.879 0.636 CB 1.313 34 residues pruned to eliminate duplicates Z: 36 20.259 2.022 0.411 0.452 0.943 0.600 CB 1.336 36 residues pruned to eliminate duplicates Z: 28 20.737 1.941 0.484 0.555 0.963 0.704 CB 1.363 28 residues pruned to eliminate duplicates Z: 24 18.154 1.984 0.427 0.579 0.957 0.652 CA 1.296 24 residues pruned to eliminate duplicates Z: 39 17.390 1.903 0.402 0.422 0.921 0.474 CB 1.246 39 residues pruned to eliminate duplicates Z: 26 18.050 1.852 0.481 0.546 0.920 0.480 CA 1.368 26 residues pruned to eliminate duplicates Z: 40 19.648 1.956 0.320 0.441 0.949 0.513 CB 1.364 40 residues pruned to eliminate duplicates Z: 39 18.963 1.945 0.364 0.419 0.974 0.632 CB 1.296 39 residues pruned to eliminate duplicates Z: 59 19.682 1.883 0.292 0.423 0.879 0.586 CB 1.309 59 residues pruned to eliminate duplicates Z: 29 18.573 1.968 0.450 0.517 0.929 0.429 CA 1.302 29 residues pruned to eliminate duplicates Z: 36 22.042 2.025 0.472 0.481 0.943 0.571 CB 1.351 36 residues pruned to eliminate duplicates Z: 49 20.905 1.922 0.382 0.426 0.958 0.417 CB 1.281 49 residues pruned to eliminate duplicates Z: 38 22.110 1.986 0.456 0.487 0.946 0.541 CB 1.346 38 residues pruned to eliminate duplicates Z: 52 20.624 1.888 0.443 0.433 0.882 0.647 CB 1.289 52 residues pruned to eliminate duplicates Z: 47 21.982 1.942 0.398 0.507 0.891 0.587 CB 1.331 47 residues pruned to eliminate duplicates Z: 46 20.028 1.880 0.399 0.432 0.978 0.556 CB 1.246 46 residues pruned to eliminate duplicates Z: 38 23.720 1.992 0.457 0.501 1.000 0.568 CB 1.342 38 residues pruned to eliminate duplicates Z: 51 21.536 1.916 0.520 0.440 0.860 0.620 CB 1.293 51 residues pruned to eliminate duplicates Z: 36 26.963 2.035 0.594 0.501 1.000 0.514 CB 1.402 36 residues pruned to eliminate duplicates Z: 39 23.898 1.989 0.460 0.504 0.974 0.553 CB 1.366 39 residues pruned to eliminate duplicates Z: 37 22.747 1.991 0.526 0.520 0.917 0.611 CA 1.335 37 residues pruned to eliminate duplicates Z: 37 22.179 1.999 0.470 0.503 0.917 0.556 CB 1.368 37 residues pruned to eliminate duplicates Z: 51 17.852 1.861 0.373 0.442 0.880 0.580 CB 1.192 51 residues pruned to eliminate duplicates Z: 39 21.914 1.941 0.557 0.470 0.947 0.632 CB 1.280 39 residues pruned to eliminate duplicates Z: 38 24.116 1.998 0.502 0.505 0.973 0.568 CB 1.350 38 residues pruned to eliminate duplicates Z: 12 7.984 1.851 0.438 0.259 1.000 0.636 CB 1.191 12 residues pruned to eliminate duplicates Z: 63 23.779 1.857 0.430 0.479 0.903 0.532 CB 1.285 63 residues pruned to eliminate duplicates Z: 24 16.131 1.904 0.510 0.384 0.957 0.478 CB 1.384 Z: 7 8.265 1.741 0.222 0.710 1.000 0.667 N 1.311 7 residues pruned to eliminate duplicates Z: 13 15.838 1.725 0.787 0.853 1.000 0.667 CA 1.096 6 residues pruned to eliminate duplicates Z: 16 15.065 1.815 0.483 0.917 0.867 0.667 CA 1.177 14 residues pruned to eliminate duplicates Z: 16 16.841 1.744 0.802 0.769 0.933 0.600 CA 1.168 18 residues pruned to eliminate duplicates Z: 16 15.393 1.720 0.672 0.767 1.000 0.400 CA 1.092 16 residues pruned to eliminate duplicates Z: 35 20.446 1.866 0.527 0.514 0.971 0.588 CB 1.251 35 residues pruned to eliminate duplicates Z: 28 19.049 1.855 0.472 0.572 1.000 0.556 CA 1.252 24 residues pruned to eliminate duplicates Z: 17 15.374 1.728 0.529 0.677 0.875 0.625 CA 1.412 30 residues pruned to eliminate duplicates 6 1.694 1.626 0.395 0.165 0.800 0.400 CA 0.628 ? Z: 6 3.606 1.044 0.940 0.482 1.000 0.600 CB 0.811 Z: 15 14.691 1.955 0.479 0.660 0.786 0.500 CA 1.490 15 residues pruned to eliminate duplicates Z: 77 42.394 2.084 0.574 0.580 0.934 0.579 CB 1.469 77 residues pruned to eliminate duplicates Z: 41 36.407 2.134 0.584 0.658 0.925 0.600 CA 1.590 41 residues pruned to eliminate duplicates Z: 68 34.691 1.993 0.640 0.529 0.851 0.597 CB 1.481 68 residues pruned to eliminate duplicates Z: 14 22.180 2.000 0.819 0.784 0.923 0.615 CB 1.427 14 residues pruned to eliminate duplicates Z: 70 33.302 1.956 0.574 0.538 0.870 0.594 CB 1.443 70 residues pruned to eliminate duplicates Z: 45 31.182 2.055 0.591 0.570 0.909 0.523 CB 1.478 45 residues pruned to eliminate duplicates Z: 67 33.203 1.965 0.555 0.510 0.909 0.500 CA 1.457 67 residues pruned to eliminate duplicates Z: 44 33.275 2.066 0.651 0.568 0.930 0.535 CA 1.498 44 residues pruned to eliminate duplicates Z: 38 32.360 2.113 0.508 0.647 0.946 0.568 CB 1.538 38 residues pruned to eliminate duplicates Z: 39 34.226 2.117 0.606 0.625 0.947 0.579 CA 1.532 39 residues pruned to eliminate duplicates Z: 35 30.862 2.110 0.607 0.646 0.941 0.618 CB 1.448 35 residues pruned to eliminate duplicates Z: 81 40.823 2.047 0.620 0.567 0.887 0.538 CB 1.454 81 residues pruned to eliminate duplicates Z: 25 21.730 1.988 0.716 0.584 0.875 0.542 CB 1.371 25 residues pruned to eliminate duplicates Z: 30 21.836 2.041 0.589 0.516 0.862 0.621 CB 1.427 30 residues pruned to eliminate duplicates Z: 71 33.543 1.962 0.617 0.529 0.871 0.629 CB 1.409 71 residues pruned to eliminate duplicates Z: 40 27.542 2.059 0.634 0.601 0.846 0.641 CB 1.406 40 residues pruned to eliminate duplicates Z: 29 26.947 2.029 0.636 0.566 0.964 0.607 CB 1.492 29 residues pruned to eliminate duplicates Z: 29 20.272 2.035 0.407 0.575 0.857 0.643 CB 1.452 29 residues pruned to eliminate duplicates Z: 28 21.804 2.070 0.350 0.584 0.889 0.667 CB 1.558 28 residues pruned to eliminate duplicates Z: 28 26.431 2.083 0.617 0.590 0.926 0.778 CB 1.497 28 residues pruned to eliminate duplicates Z: 38 36.405 2.125 0.551 0.676 1.000 0.595 CB 1.544 38 residues pruned to eliminate duplicates Z: 27 26.627 2.082 0.595 0.616 0.962 0.731 CA 1.466 27 residues pruned to eliminate duplicates Z: 29 23.223 2.072 0.474 0.566 0.929 0.750 CB 1.452 29 residues pruned to eliminate duplicates Z: 69 32.324 2.055 0.613 0.556 0.794 0.544 CB 1.411 69 residues pruned to eliminate duplicates Z: 30 21.844 2.025 0.493 0.532 0.931 0.621 CB 1.397 30 residues pruned to eliminate duplicates Z: 43 35.716 2.096 0.691 0.609 0.905 0.548 CB 1.549 43 residues pruned to eliminate duplicates Z: 58 34.482 2.022 0.681 0.545 0.877 0.544 CB 1.465 58 residues pruned to eliminate duplicates Z: 29 22.848 2.024 0.494 0.560 0.929 0.464 CB 1.450 29 residues pruned to eliminate duplicates Z: 62 33.095 2.021 0.715 0.502 0.885 0.557 CB 1.379 62 residues pruned to eliminate duplicates Z: 40 25.146 1.949 0.517 0.571 0.897 0.641 CB 1.416 40 residues pruned to eliminate duplicates Z: 42 30.961 2.108 0.648 0.604 0.878 0.634 CB 1.436 42 residues pruned to eliminate duplicates Z: 55 23.872 1.976 0.527 0.474 0.815 0.333 CB 1.357 55 residues pruned to eliminate duplicates Z: 47 27.110 2.008 0.632 0.543 0.848 0.522 CB 1.379 47 residues pruned to eliminate duplicates Z: 35 25.904 2.020 0.588 0.574 0.912 0.559 CB 1.414 35 residues pruned to eliminate duplicates Z: 39 36.586 2.110 0.689 0.642 0.974 0.526 CB 1.497 39 residues pruned to eliminate duplicates Z: 78 39.370 2.024 0.672 0.569 0.883 0.429 CB 1.405 78 residues pruned to eliminate duplicates Z: 61 31.897 2.030 0.652 0.516 0.850 0.533 CB 1.422 61 residues pruned to eliminate duplicates Z: 68 41.720 2.069 0.771 0.585 0.910 0.507 CB 1.408 68 residues pruned to eliminate duplicates Z: 7 4.229 1.693 0.475 0.269 0.667 0.167 N 1.350 7 residues pruned to eliminate duplicates Z: 70 38.177 2.045 0.700 0.566 0.855 0.565 CB 1.450 70 residues pruned to eliminate duplicates Z: 19 12.817 2.049 0.569 0.427 0.833 0.556 CB 1.216 19 residues pruned to eliminate duplicates Z: 34 22.049 2.047 0.761 0.484 0.848 0.424 CB 1.274 34 residues pruned to eliminate duplicates Z: 28 21.881 2.078 0.677 0.497 0.889 0.407 CB 1.363 28 residues pruned to eliminate duplicates Z: 30 23.839 1.995 0.746 0.561 0.897 0.517 CB 1.336 30 residues pruned to eliminate duplicates Z: 25 18.041 2.029 0.809 0.507 0.875 0.500 CB 1.139 25 residues pruned to eliminate duplicates Z: 32 22.470 2.028 0.756 0.465 0.871 0.419 CB 1.349 32 residues pruned to eliminate duplicates Z: 57 28.061 1.937 0.757 0.582 0.839 0.429 CB 1.213 73 residues pruned to eliminate duplicates Z: 26 27.386 2.097 0.881 0.589 0.960 0.560 CB 1.328 26 residues pruned to eliminate duplicates Z: 31 20.553 2.023 0.694 0.478 0.900 0.433 CB 1.243 31 residues pruned to eliminate duplicates Z: 32 22.735 2.012 0.774 0.515 0.903 0.516 CB 1.248 32 residues pruned to eliminate duplicates Z: 31 23.403 2.029 0.727 0.532 0.867 0.467 CB 1.364 31 residues pruned to eliminate duplicates Z: 33 24.353 2.034 0.686 0.525 0.875 0.438 CB 1.400 33 residues pruned to eliminate duplicates Z: 29 18.605 1.974 0.588 0.473 0.893 0.500 CB 1.292 29 residues pruned to eliminate duplicates Z: 19 16.164 1.974 0.718 0.525 0.944 0.611 CB 1.161 19 residues pruned to eliminate duplicates Z: 30 15.507 1.918 0.589 0.390 0.862 0.414 CB 1.232 30 residues pruned to eliminate duplicates Z: 19 13.149 1.969 0.631 0.522 0.889 0.667 CB 1.062 19 residues pruned to eliminate duplicates Z: 20 17.053 2.004 0.775 0.554 0.895 0.526 CB 1.167 20 residues pruned to eliminate duplicates Z: 27 25.378 2.021 0.904 0.541 0.923 0.615 CA 1.346 27 residues pruned to eliminate duplicates Z: 25 13.223 1.885 0.636 0.393 0.875 0.625 CB 1.120 25 residues pruned to eliminate duplicates Z: 19 18.183 2.034 0.856 0.585 0.833 0.500 CB 1.256 19 residues pruned to eliminate duplicates Z: 45 27.870 1.891 0.759 0.577 0.955 0.614 CA 1.229 45 residues pruned to eliminate duplicates Z: 14 16.761 1.909 1.060 0.648 0.846 0.615 CB 1.217 14 residues pruned to eliminate duplicates Z: 29 17.563 2.013 0.564 0.435 0.893 0.536 CB 1.264 29 residues pruned to eliminate duplicates Z: 35 24.953 2.052 0.641 0.490 0.912 0.559 CA 1.409 35 residues pruned to eliminate duplicates Z: 65 26.992 1.916 0.566 0.536 0.812 0.469 CB 1.336 65 residues pruned to eliminate duplicates Z: 49 25.683 1.960 0.504 0.550 0.875 0.604 CB 1.369 49 residues pruned to eliminate duplicates Z: 11 7.850 1.790 0.451 0.465 1.000 0.500 CB 0.991 Z: 6 3.749 1.580 0.155 0.332 1.000 0.400 CA 1.103 6 residues pruned to eliminate duplicates Z: 23 14.419 1.886 0.337 0.507 0.909 0.545 CA 1.332 34 residues pruned to eliminate duplicates Z: 8 6.629 1.885 0.108 0.495 0.857 0.429 CB 1.407 Z: 6 8.234 1.847 0.486 0.613 1.000 0.400 CA 1.206 6 residues pruned to eliminate duplicates Z: 32 20.356 1.990 0.494 0.467 0.935 0.645 CB 1.359 40 residues pruned to eliminate duplicates Z: 26 25.027 2.102 0.585 0.542 0.960 0.760 CA 1.503 26 residues pruned to eliminate duplicates Z: 26 22.176 2.067 0.534 0.539 0.960 0.720 CA 1.403 26 residues pruned to eliminate duplicates Z: 14 17.519 2.029 0.526 0.747 0.923 0.769 CA 1.364 14 residues pruned to eliminate duplicates Z: 74 28.949 1.931 0.519 0.468 0.904 0.548 CA 1.320 74 residues pruned to eliminate duplicates Z: 34 23.778 2.024 0.617 0.510 0.909 0.667 CB 1.378 35 residues pruned to eliminate duplicates Z: 11 12.527 1.802 0.503 0.896 0.900 0.900 CA 1.164 11 residues pruned to eliminate duplicates Z: 34 24.723 2.040 0.533 0.506 0.939 0.697 CA 1.457 34 residues pruned to eliminate duplicates Z: 14 18.960 1.922 0.611 0.841 1.000 0.846 CA 1.266 14 residues pruned to eliminate duplicates Z: 15 14.833 2.010 0.301 0.667 0.857 0.786 CA 1.515 15 residues pruned to eliminate duplicates Z: 35 24.598 2.012 0.575 0.494 0.912 0.706 CA 1.469 35 residues pruned to eliminate duplicates Z: 35 23.936 2.036 0.633 0.479 0.912 0.618 CA 1.383 35 residues pruned to eliminate duplicates Z: 16 15.476 1.980 0.460 0.650 0.933 0.733 CA 1.287 16 residues pruned to eliminate duplicates Z: 37 23.415 2.014 0.622 0.459 0.917 0.611 CA 1.359 37 residues pruned to eliminate duplicates Z: 37 22.717 2.011 0.545 0.465 0.917 0.778 CA 1.378 37 residues pruned to eliminate duplicates Z: 35 19.281 1.999 0.443 0.484 0.882 0.706 CA 1.320 35 residues pruned to eliminate duplicates Z: 13 11.576 2.088 0.489 0.325 0.917 0.583 CB 1.422 13 residues pruned to eliminate duplicates Z: 7 11.500 1.903 0.911 0.508 1.000 0.667 CA 1.281 7 residues pruned to eliminate duplicates Z: 38 19.783 1.987 0.484 0.456 0.865 0.649 CA 1.334 37 residues pruned to eliminate duplicates Z: 8 6.916 1.615 0.495 0.554 0.857 0.714 N 1.198 8 residues pruned to eliminate duplicates Z: 9 9.150 1.737 0.664 0.770 0.875 0.750 CA 1.007 8 residues pruned to eliminate duplicates Z: 8 11.533 1.949 0.564 0.795 1.000 0.857 CA 1.104 8 residues pruned to eliminate duplicates Z: 10 8.616 1.843 0.487 0.612 0.778 0.556 CA 1.212 10 residues pruned to eliminate duplicates Z: 10 7.882 1.846 0.382 0.569 0.778 0.556 CA 1.239 10 residues pruned to eliminate duplicates Z: 11 6.059 1.656 0.273 0.467 0.800 0.500 CA 1.175 11 residues pruned to eliminate duplicates Z: 17 7.373 1.685 0.336 0.450 0.750 0.500 CA 1.150 17 residues pruned to eliminate duplicates Z: 10 8.777 1.823 0.407 0.577 0.889 0.667 CA 1.192 10 residues pruned to eliminate duplicates Z: 11 8.971 1.828 0.269 0.602 0.900 0.700 CB 1.232 11 residues pruned to eliminate duplicates Z: 9 7.144 1.760 0.189 0.635 0.875 0.375 CB 1.215 9 residues pruned to eliminate duplicates Z: 12 10.229 1.784 0.425 0.615 0.909 0.455 CB 1.197 12 residues pruned to eliminate duplicates Z: 8 5.687 1.759 0.140 0.499 0.857 0.429 CB 1.252 8 residues pruned to eliminate duplicates Z: 22 12.349 1.724 0.437 0.414 0.905 0.571 CB 1.315 22 residues pruned to eliminate duplicates Z: 22 11.627 1.777 0.362 0.380 0.905 0.571 CB 1.317 22 residues pruned to eliminate duplicates Z: 23 10.096 1.696 0.344 0.370 0.818 0.545 CB 1.327 23 residues pruned to eliminate duplicates Z: 21 9.814 1.730 0.365 0.386 0.850 0.550 CB 1.234 21 residues pruned to eliminate duplicates Z: 28 6.281 1.741 0.256 0.230 0.667 0.333 CB 1.136 28 residues pruned to eliminate duplicates Z: 7 3.351 1.502 0.605 0.328 1.000 0.333 N 0.685 7 residues pruned to eliminate duplicates Z: 17 8.984 1.784 0.493 0.442 0.750 0.625 CB 1.193 18 residues pruned to eliminate duplicates Z: 7 4.884 1.769 0.478 0.536 0.667 0.500 CB 1.104 7 residues pruned to eliminate duplicates Z: 19 13.243 1.923 0.455 0.544 0.944 0.722 CB 1.131 18 residues pruned to eliminate duplicates Z: 6 7.825 1.737 0.694 0.784 0.800 0.800 CA 1.158 6 residues pruned to eliminate duplicates Z: 33 14.289 1.840 0.439 0.551 0.875 0.656 CB 1.038 25 residues pruned to eliminate duplicates Z: 6 5.900 1.787 0.443 0.517 1.000 0.400 CA 1.007 6 residues pruned to eliminate duplicates Z: 16 9.364 1.850 0.353 0.366 0.933 0.467 CB 1.195 16 residues pruned to eliminate duplicates Z: 11 10.282 1.833 0.663 0.576 0.900 0.600 CB 1.102 11 residues pruned to eliminate duplicates Z: 14 7.740 1.830 0.422 0.344 0.923 0.385 CB 1.059 20 residues pruned to eliminate duplicates Z: 10 9.890 1.874 0.445 0.554 1.000 0.778 CB 1.154 10 residues pruned to eliminate duplicates Z: 10 7.796 1.800 0.351 0.487 1.000 0.778 CB 1.082 10 residues pruned to eliminate duplicates Z: 11 8.347 1.829 0.497 0.448 0.900 0.600 CB 1.130 11 residues pruned to eliminate duplicates Z: 21 17.436 1.919 0.606 0.484 0.900 0.500 CB 1.429 21 residues pruned to eliminate duplicates Z: 30 19.854 2.072 0.448 0.376 0.966 0.690 CA 1.453 30 residues pruned to eliminate duplicates Z: 33 19.328 2.000 0.441 0.380 0.938 0.562 CB 1.437 33 residues pruned to eliminate duplicates Z: 20 18.207 2.019 0.530 0.531 0.895 0.526 CB 1.465 20 residues pruned to eliminate duplicates Z: 23 19.385 2.015 0.702 0.509 0.955 0.682 CB 1.252 23 residues pruned to eliminate duplicates Z: 29 24.756 2.118 0.669 0.448 0.964 0.679 CA 1.448 29 residues pruned to eliminate duplicates Z: 35 20.059 2.031 0.600 0.434 0.941 0.618 CB 1.204 35 residues pruned to eliminate duplicates Z: 29 24.307 2.122 0.559 0.457 0.964 0.643 CA 1.505 29 residues pruned to eliminate duplicates Z: 21 16.135 1.973 0.569 0.474 0.950 0.650 CA 1.260 21 residues pruned to eliminate duplicates Z: 19 20.208 2.126 0.638 0.523 0.944 0.611 CA 1.416 19 residues pruned to eliminate duplicates Z: 17 18.407 2.094 0.671 0.595 0.812 0.688 CA 1.478 17 residues pruned to eliminate duplicates Z: 29 22.398 2.104 0.718 0.469 0.893 0.607 CA 1.353 29 residues pruned to eliminate duplicates Z: 35 18.408 2.002 0.497 0.387 0.912 0.706 CB 1.302 35 residues pruned to eliminate duplicates Z: 29 24.571 2.136 0.618 0.484 0.964 0.750 CA 1.416 29 residues pruned to eliminate duplicates Z: 21 19.003 2.018 0.632 0.487 0.900 0.550 CA 1.452 21 residues pruned to eliminate duplicates Z: 35 22.469 2.068 0.538 0.453 0.912 0.676 CA 1.395 35 residues pruned to eliminate duplicates Z: 30 25.703 2.090 0.758 0.476 0.931 0.724 CA 1.430 29 residues pruned to eliminate duplicates Z: 10 15.819 2.059 0.934 0.795 0.889 0.889 CA 1.150 10 residues pruned to eliminate duplicates Z: 28 23.724 2.166 0.647 0.475 0.926 0.667 CA 1.418 28 residues pruned to eliminate duplicates Z: 15 10.788 1.970 0.266 0.318 0.929 0.571 CA 1.523 15 residues pruned to eliminate duplicates Z: 18 13.243 1.955 0.561 0.296 0.941 0.824 CB 1.405 18 residues pruned to eliminate duplicates Z: 16 14.566 1.959 0.625 0.335 0.933 0.667 CB 1.516 16 residues pruned to eliminate duplicates Z: 36 19.126 2.017 0.457 0.405 0.857 0.571 CB 1.419 36 residues pruned to eliminate duplicates Z: 15 14.568 2.037 0.559 0.337 1.000 0.857 CB 1.464 15 residues pruned to eliminate duplicates Z: 13 15.079 2.141 0.562 0.345 1.000 0.833 CB 1.541 13 residues pruned to eliminate duplicates Z: 14 11.975 2.088 0.311 0.268 1.000 0.615 CB 1.581 14 residues pruned to eliminate duplicates Z: 13 14.792 2.154 0.521 0.335 1.000 0.833 CB 1.561 13 residues pruned to eliminate duplicates Z: 13 13.635 2.136 0.503 0.312 1.000 0.833 CB 1.509 13 residues pruned to eliminate duplicates Z: 14 12.803 2.100 0.267 0.345 1.000 0.692 CB 1.580 14 residues pruned to eliminate duplicates 935 residues left after pruning, divided into chains as follows: A: 6 B: 21 C: 8 D: 8 E: 19 F: 36 G: 89 H: 18 I: 75 J: 57 K: 23 L: 53 M: 60 N: 77 O: 41 P: 126 Q: 19 R: 91 S: 20 T: 39 U: 49 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 50.40 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.380, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.447, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.527, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.535, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.545, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.552, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.553, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.554, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.555, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5650 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1285 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 21.124 2.143 0.554 0.910 1.000 0.700 CB 1.422 B: 12 23.406 2.069 0.982 0.839 0.909 0.636 CA 1.414 11 residues pruned to eliminate duplicates C: 14 16.769 1.905 0.411 0.867 0.923 0.846 CA 1.371 D: 13 30.311 2.148 0.803 0.900 1.000 0.583 CA 1.614 E: 13 17.561 2.094 0.217 0.887 0.917 0.917 CA 1.565 F: 12 19.988 2.076 0.303 0.867 1.000 0.727 CA 1.630 10 residues pruned to eliminate duplicates G: 14 21.097 2.065 0.493 0.807 1.000 0.615 CA 1.451 H: 13 15.449 1.940 0.582 0.856 0.917 0.667 CA 1.170 I: 11 19.971 2.116 0.610 0.876 1.000 0.600 CA 1.346 11 residues pruned to eliminate duplicates J: 12 24.662 2.175 0.612 0.901 0.909 0.818 CB 1.666 13 residues pruned to eliminate duplicates K: 13 21.230 2.089 0.511 0.856 1.000 0.500 CB 1.433 12 residues pruned to eliminate duplicates L: 16 16.444 1.873 0.461 0.879 1.000 0.600 CB 1.125 M: 12 24.316 2.183 0.647 0.883 0.909 0.455 CA 1.622 12 residues pruned to eliminate duplicates N: 14 25.879 2.045 0.768 0.866 1.000 0.769 CB 1.453 O: 12 24.784 2.072 0.702 0.911 1.000 0.818 CA 1.501 P: 13 14.358 1.934 0.120 0.857 1.000 0.917 CA 1.410 Q: 7 9.759 1.955 0.095 0.898 1.000 0.667 CB 1.331 R: 11 22.429 2.108 0.884 0.878 0.900 0.700 CB 1.440 11 residues pruned to eliminate duplicates S: 17 30.069 2.117 0.839 0.879 1.000 0.688 CA 1.400 T: 15 18.130 1.817 0.688 0.839 1.000 0.643 CB 1.180 U: 13 21.565 2.143 0.304 0.881 1.000 0.750 CA 1.614 14 residues pruned to eliminate duplicates V: 14 26.105 2.118 0.711 0.864 1.000 0.385 CA 1.465 14 residues pruned to eliminate duplicates W: 18 11.795 1.772 0.156 0.865 0.941 0.824 CA 1.087 X: 14 20.482 2.036 0.402 0.849 0.923 0.615 CA 1.599 14 residues pruned to eliminate duplicates Y: 8 6.843 1.849 -0.089 0.875 1.000 0.571 CB 1.118 7 residues pruned to eliminate duplicates Z: 16 22.831 1.949 0.644 0.863 1.000 0.733 CA 1.349 Z: 15 31.552 2.235 0.881 0.908 1.000 0.714 CA 1.424 16 residues pruned to eliminate duplicates Z: 12 22.571 2.167 0.487 0.902 0.909 0.727 CB 1.658 12 residues pruned to eliminate duplicates Z: 12 22.223 2.175 0.584 0.902 0.909 0.727 CA 1.526 12 residues pruned to eliminate duplicates Z: 13 18.990 2.095 0.179 0.914 1.000 0.667 CA 1.569 13 residues pruned to eliminate duplicates Z: 14 21.677 2.016 0.550 0.913 1.000 1.000 CB 1.362 14 residues pruned to eliminate duplicates Z: 12 22.605 2.159 0.491 0.888 0.909 0.636 CB 1.678 12 residues pruned to eliminate duplicates Z: 12 26.775 2.175 0.841 0.922 1.000 0.727 CA 1.417 11 residues pruned to eliminate duplicates Z: 13 19.062 2.044 0.447 0.904 0.917 0.917 CA 1.445 13 residues pruned to eliminate duplicates Z: 17 24.089 1.973 0.761 0.864 1.000 0.500 CA 1.271 16 residues pruned to eliminate duplicates Z: 12 17.998 2.195 0.324 0.878 0.909 0.818 CA 1.491 11 residues pruned to eliminate duplicates Z: 23 18.728 1.970 0.883 0.558 0.818 0.545 CB 1.244 Z: 13 19.050 2.128 0.271 0.886 1.000 0.833 CA 1.467 13 residues pruned to eliminate duplicates Z: 17 17.336 1.935 0.374 0.856 0.938 0.750 CA 1.282 17 residues pruned to eliminate duplicates Z: 12 22.321 2.131 0.638 0.910 1.000 0.818 CB 1.367 15 residues pruned to eliminate duplicates Z: 12 21.513 1.941 0.689 0.901 1.000 0.727 CB 1.413 12 residues pruned to eliminate duplicates Z: 12 14.145 1.788 0.436 0.846 1.000 0.909 CB 1.234 Z: 14 22.448 2.033 0.471 0.911 1.000 0.769 CA 1.475 13 residues pruned to eliminate duplicates Z: 14 22.913 2.080 0.381 0.894 1.000 0.769 CA 1.587 13 residues pruned to eliminate duplicates Z: 13 18.945 2.092 0.270 0.885 0.917 0.667 CB 1.621 13 residues pruned to eliminate duplicates Z: 13 29.053 2.182 0.782 0.876 0.917 0.500 CB 1.711 12 residues pruned to eliminate duplicates Z: 12 21.199 2.171 0.315 0.882 1.000 0.727 CA 1.620 13 residues pruned to eliminate duplicates Z: 17 22.438 1.915 0.552 0.885 1.000 0.750 CA 1.363 16 residues pruned to eliminate duplicates Z: 14 23.805 2.060 0.496 0.927 1.000 0.769 CB 1.501 14 residues pruned to eliminate duplicates Z: 12 17.106 2.074 0.382 0.827 1.000 0.909 CA 1.356 12 residues pruned to eliminate duplicates Z: 17 26.233 2.093 0.565 0.875 1.000 0.688 CA 1.456 Z: 12 12.661 2.145 -0.225 0.920 1.000 1.000 CA 1.618 12 residues pruned to eliminate duplicates Z: 18 21.141 1.856 0.752 0.848 0.941 0.706 CA 1.242 18 residues pruned to eliminate duplicates Z: 11 14.030 1.940 0.245 0.841 1.000 0.900 CA 1.369 11 residues pruned to eliminate duplicates Z: 57 29.928 2.049 0.399 0.558 0.893 0.589 CB 1.478 34 residues pruned to eliminate duplicates Z: 13 24.000 2.046 0.739 0.864 1.000 0.917 CA 1.428 12 residues pruned to eliminate duplicates Z: 13 34.418 2.212 1.113 0.882 0.917 0.333 CA 1.678 13 residues pruned to eliminate duplicates Z: 13 20.289 1.963 0.702 0.916 0.917 0.750 CB 1.351 13 residues pruned to eliminate duplicates Z: 14 18.564 1.927 0.632 0.828 0.923 0.846 CB 1.336 14 residues pruned to eliminate duplicates Z: 14 22.136 1.884 0.770 0.909 1.000 0.769 CB 1.307 Z: 12 23.634 2.115 0.661 0.874 1.000 0.818 CB 1.476 13 residues pruned to eliminate duplicates Z: 13 22.410 2.148 0.384 0.889 1.000 0.833 CA 1.567 13 residues pruned to eliminate duplicates Z: 14 20.533 2.050 0.530 0.849 0.923 0.615 CA 1.457 13 residues pruned to eliminate duplicates Z: 14 19.858 1.994 0.580 0.876 0.846 0.462 CA 1.501 14 residues pruned to eliminate duplicates Z: 12 23.638 2.127 0.786 0.935 0.909 0.636 CA 1.438 12 residues pruned to eliminate duplicates Z: 6 11.304 1.822 0.859 0.613 1.000 0.400 CB 1.341 Z: 12 20.512 2.171 0.373 0.893 1.000 0.818 CA 1.489 12 residues pruned to eliminate duplicates Z: 10 14.421 1.892 0.614 0.875 1.000 0.667 CA 1.145 10 residues pruned to eliminate duplicates Z: 13 20.991 2.036 0.546 0.862 1.000 0.750 CA 1.413 13 residues pruned to eliminate duplicates Z: 16 15.587 1.935 0.390 0.827 0.867 0.467 CA 1.301 16 residues pruned to eliminate duplicates Z: 17 18.426 1.887 0.377 0.890 1.000 0.938 CB 1.276 Z: 13 20.993 2.021 0.617 0.853 1.000 0.750 CA 1.370 13 residues pruned to eliminate duplicates Z: 12 20.558 2.149 0.545 0.878 0.909 0.636 CA 1.490 12 residues pruned to eliminate duplicates Z: 14 24.025 2.027 0.602 0.913 1.000 0.846 CA 1.452 14 residues pruned to eliminate duplicates Z: 9 26.203 2.245 0.929 0.898 0.875 0.250 CA 1.749 10 residues pruned to eliminate duplicates Z: 16 25.957 2.198 0.484 0.899 1.000 1.000 CA 1.468 18 residues pruned to eliminate duplicates Z: 13 21.882 2.123 0.534 0.856 0.917 0.833 CA 1.561 13 residues pruned to eliminate duplicates Z: 12 18.520 2.144 0.570 0.905 0.818 0.455 CB 1.443 12 residues pruned to eliminate duplicates Z: 15 20.727 1.984 0.644 0.935 1.000 0.786 CA 1.184 Z: 14 22.248 1.965 0.474 0.878 1.000 0.615 CA 1.546 14 residues pruned to eliminate duplicates Z: 9 7.625 1.943 0.146 0.571 1.000 0.875 CB 1.130 Z: 14 18.122 1.953 0.468 0.837 1.000 0.769 CA 1.312 Z: 14 24.197 2.073 0.574 0.868 1.000 0.769 CA 1.504 15 residues pruned to eliminate duplicates Z: 17 24.084 2.129 0.470 0.896 1.000 0.875 CA 1.379 17 residues pruned to eliminate duplicates Z: 12 4.101 1.565 0.440 0.245 0.636 0.636 CA 1.158 6 residues pruned to eliminate duplicates Z: 13 26.297 1.990 0.940 0.831 1.000 0.333 CB 1.478 14 residues pruned to eliminate duplicates Z: 12 21.417 2.176 0.387 0.916 1.000 0.727 CA 1.511 12 residues pruned to eliminate duplicates Z: 35 27.645 2.028 0.623 0.572 0.941 0.735 CA 1.428 34 residues pruned to eliminate duplicates Z: 13 25.438 2.147 0.618 0.905 1.000 0.583 CB 1.505 13 residues pruned to eliminate duplicates Z: 40 21.695 1.995 0.539 0.435 0.897 0.615 CB 1.348 13 residues pruned to eliminate duplicates Z: 17 16.744 1.863 0.403 0.856 1.000 0.625 CA 1.181 17 residues pruned to eliminate duplicates Z: 24 17.978 1.898 0.592 0.417 0.913 0.478 CB 1.481 6 residues pruned to eliminate duplicates Z: 14 24.240 2.096 0.663 0.892 1.000 0.769 CA 1.385 14 residues pruned to eliminate duplicates Z: 15 25.281 2.258 0.425 0.912 1.000 0.857 CB 1.487 15 residues pruned to eliminate duplicates Z: 14 22.831 2.011 0.747 0.830 0.923 0.692 CB 1.467 15 residues pruned to eliminate duplicates Z: 10 13.800 2.149 0.474 0.832 0.778 0.778 CA 1.402 10 residues pruned to eliminate duplicates Z: 15 19.714 2.012 0.769 0.882 1.000 0.643 CA 1.071 15 residues pruned to eliminate duplicates Z: 24 18.747 1.972 0.411 0.572 0.957 0.652 CB 1.370 19 residues pruned to eliminate duplicates Z: 10 16.546 1.942 0.755 0.877 0.889 0.556 CA 1.323 Z: 26 21.652 2.104 0.245 0.595 0.960 0.800 CA 1.573 26 residues pruned to eliminate duplicates Z: 43 31.777 2.032 0.674 0.569 0.929 0.524 CA 1.453 43 residues pruned to eliminate duplicates Z: 10 15.331 1.883 0.559 0.850 1.000 0.556 CB 1.289 10 residues pruned to eliminate duplicates Z: 18 24.135 2.087 0.488 0.882 1.000 0.647 CA 1.364 18 residues pruned to eliminate duplicates Z: 16 26.350 2.159 0.547 0.891 1.000 0.600 CA 1.465 16 residues pruned to eliminate duplicates Z: 20 21.228 2.093 0.406 0.711 0.895 0.789 CB 1.528 20 residues pruned to eliminate duplicates Z: 39 24.993 2.036 0.676 0.421 0.895 0.684 CB 1.442 40 residues pruned to eliminate duplicates Z: 17 25.521 2.161 0.488 0.893 0.938 0.562 CA 1.519 17 residues pruned to eliminate duplicates Z: 10 18.695 2.115 0.912 0.807 0.889 0.889 CA 1.327 12 residues pruned to eliminate duplicates Z: 18 10.771 1.934 0.518 0.247 0.882 0.706 CB 1.349 6 residues pruned to eliminate duplicates Z: 15 19.801 1.955 0.442 0.916 1.000 0.857 CA 1.326 15 residues pruned to eliminate duplicates Z: 10 9.727 1.725 0.778 0.475 0.889 0.667 CB 1.220 Z: 13 21.287 2.076 0.548 0.897 1.000 0.750 CA 1.368 13 residues pruned to eliminate duplicates Z: 8 6.474 1.845 0.432 0.403 0.714 0.286 N 1.436 Z: 12 24.335 2.113 0.842 0.887 1.000 0.818 CA 1.360 12 residues pruned to eliminate duplicates Z: 9 22.288 2.109 0.876 0.913 1.000 0.750 CB 1.410 10 residues pruned to eliminate duplicates Z: 13 17.250 1.943 0.269 0.943 1.000 0.833 CA 1.400 13 residues pruned to eliminate duplicates Z: 6 10.229 1.831 0.572 0.806 0.800 0.800 CA 1.522 Z: 42 29.917 2.067 0.494 0.634 0.878 0.634 CA 1.520 27 residues pruned to eliminate duplicates Z: 29 20.320 1.863 0.629 0.493 1.000 0.643 CA 1.275 18 residues pruned to eliminate duplicates Z: 7 9.146 1.858 0.113 0.829 1.000 0.500 CB 1.358 7 residues pruned to eliminate duplicates Z: 13 21.341 2.058 0.620 0.888 1.000 0.583 CA 1.331 13 residues pruned to eliminate duplicates Z: 11 16.322 1.869 0.670 0.852 0.900 0.600 CA 1.360 11 residues pruned to eliminate duplicates Z: 14 13.849 1.876 0.550 0.825 0.846 0.846 CA 1.178 14 residues pruned to eliminate duplicates Z: 13 19.074 1.950 0.671 0.794 1.000 0.917 CB 1.307 13 residues pruned to eliminate duplicates Z: 35 21.294 1.974 0.527 0.497 0.912 0.559 CB 1.333 Z: 12 11.146 1.756 0.469 0.867 1.000 0.909 CB 0.953 Z: 14 10.783 1.878 0.175 0.840 0.769 0.692 CA 1.315 14 residues pruned to eliminate duplicates Z: 6 7.004 1.677 0.353 0.746 0.800 0.800 CA 1.385 Z: 38 20.857 1.961 0.866 0.437 0.892 0.676 CA 1.121 13 residues pruned to eliminate duplicates Z: 10 15.930 1.868 1.181 0.909 1.000 0.889 CB 0.924 Z: 7 13.368 1.791 0.834 0.862 0.833 0.833 N 1.463 8 residues pruned to eliminate duplicates Z: 11 15.405 2.161 0.016 0.884 1.000 0.800 CA 1.604 11 residues pruned to eliminate duplicates Z: 10 17.519 2.057 0.648 0.897 1.000 0.556 CB 1.233 10 residues pruned to eliminate duplicates Z: 14 19.050 1.986 0.595 0.853 1.000 0.769 CA 1.233 14 residues pruned to eliminate duplicates Z: 23 17.822 1.890 0.551 0.409 0.955 0.545 CA 1.494 Z: 40 21.510 1.916 0.542 0.446 0.897 0.538 CB 1.374 40 residues pruned to eliminate duplicates Z: 20 10.143 1.740 0.361 0.400 0.842 0.474 CB 1.296 Z: 23 24.605 2.092 0.494 0.649 0.955 0.773 CA 1.531 13 residues pruned to eliminate duplicates Z: 11 20.498 2.014 0.813 0.837 1.000 0.800 CA 1.328 11 residues pruned to eliminate duplicates Z: 15 22.413 1.940 0.851 0.891 0.929 0.571 CA 1.291 15 residues pruned to eliminate duplicates Z: 14 23.148 2.097 0.499 0.899 0.923 0.692 CB 1.582 14 residues pruned to eliminate duplicates Z: 14 18.168 1.755 0.827 0.856 1.000 0.615 CA 1.159 Z: 17 16.495 2.008 0.494 0.649 0.875 0.812 CB 1.367 17 residues pruned to eliminate duplicates Z: 16 25.716 2.169 0.719 0.914 1.000 0.933 CA 1.259 23 residues pruned to eliminate duplicates Z: 12 17.695 1.979 0.599 0.831 0.909 0.636 CB 1.393 12 residues pruned to eliminate duplicates Z: 13 14.332 1.845 0.580 0.809 1.000 0.833 CA 1.084 13 residues pruned to eliminate duplicates Z: 17 14.733 1.882 0.419 0.502 0.938 0.625 CB 1.469 20 residues pruned to eliminate duplicates Z: 9 11.031 1.856 0.487 0.481 1.000 0.875 CB 1.441 Z: 37 22.278 1.995 0.443 0.522 0.944 0.611 CA 1.336 18 residues pruned to eliminate duplicates Z: 12 18.866 2.098 0.772 0.761 1.000 0.636 CA 1.214 Z: 12 22.148 1.919 0.793 0.894 1.000 0.636 CA 1.393 12 residues pruned to eliminate duplicates Z: 13 19.284 2.011 0.480 0.885 1.000 0.833 CA 1.351 13 residues pruned to eliminate duplicates Z: 9 10.353 1.833 0.480 0.666 0.875 0.750 CA 1.323 10 residues pruned to eliminate duplicates Z: 15 22.504 1.830 0.854 0.893 1.000 0.571 CB 1.273 15 residues pruned to eliminate duplicates Z: 16 16.984 2.055 0.366 0.606 0.933 0.600 CA 1.513 16 residues pruned to eliminate duplicates Z: 33 17.903 2.013 0.466 0.362 0.938 0.469 CB 1.327 15 residues pruned to eliminate duplicates Z: 38 22.742 1.964 0.453 0.502 0.973 0.595 CA 1.344 37 residues pruned to eliminate duplicates Z: 13 21.939 1.931 0.963 0.923 0.833 0.667 CB 1.409 13 residues pruned to eliminate duplicates Z: 12 17.663 1.961 0.673 0.860 1.000 0.727 CB 1.193 12 residues pruned to eliminate duplicates Z: 19 22.680 2.117 0.597 0.697 0.944 0.667 CA 1.400 19 residues pruned to eliminate duplicates Z: 9 16.553 2.024 0.784 0.884 1.000 0.375 CB 1.171 9 residues pruned to eliminate duplicates Z: 17 18.808 2.048 0.447 0.731 0.938 0.562 CA 1.375 15 residues pruned to eliminate duplicates Z: 13 12.578 1.643 0.273 0.917 1.000 0.833 CA 1.225 Z: 17 16.524 2.104 0.129 0.854 1.000 0.750 CA 1.284 17 residues pruned to eliminate duplicates Z: 19 20.537 1.811 0.602 0.885 0.944 0.667 CA 1.275 19 residues pruned to eliminate duplicates Z: 14 15.852 1.904 0.773 0.705 0.923 0.308 CA 1.171 14 residues pruned to eliminate duplicates Z: 10 6.223 1.746 0.427 0.372 0.889 0.556 CB 1.074 Z: 9 7.144 1.888 0.081 0.743 0.875 0.750 CB 1.137 Z: 16 22.255 1.926 0.528 0.886 1.000 0.733 CA 1.409 16 residues pruned to eliminate duplicates Z: 17 16.447 1.866 0.578 0.875 0.938 0.812 CA 1.083 17 residues pruned to eliminate duplicates Z: 18 18.591 1.949 0.458 0.826 0.941 0.765 CB 1.271 18 residues pruned to eliminate duplicates Z: 17 18.512 2.058 0.225 0.881 1.000 0.812 CA 1.329 17 residues pruned to eliminate duplicates Z: 30 23.377 1.997 0.663 0.557 1.000 0.690 CB 1.236 9 residues pruned to eliminate duplicates Z: 10 12.829 1.790 1.091 0.532 0.889 0.556 CB 1.246 9 residues pruned to eliminate duplicates Z: 14 21.954 1.934 0.746 0.837 0.923 0.769 CA 1.461 14 residues pruned to eliminate duplicates Z: 12 21.761 2.118 0.573 0.911 1.000 0.455 CB 1.396 12 residues pruned to eliminate duplicates Z: 15 6.770 1.838 0.115 0.358 0.857 0.429 CB 1.200 15 residues pruned to eliminate duplicates Z: 44 26.953 2.035 0.433 0.616 0.884 0.535 CB 1.430 44 residues pruned to eliminate duplicates Z: 12 16.669 1.909 0.795 0.885 0.909 0.636 CA 1.165 14 residues pruned to eliminate duplicates Z: 17 15.651 1.754 0.611 0.764 0.938 0.562 CA 1.168 17 residues pruned to eliminate duplicates Z: 37 37.088 2.086 0.729 0.696 0.944 0.806 CA 1.517 26 residues pruned to eliminate duplicates Z: 9 11.100 1.767 0.776 0.432 1.000 0.875 CA 1.342 9 residues pruned to eliminate duplicates Z: 16 25.378 2.151 0.541 0.900 1.000 1.000 CB 1.412 16 residues pruned to eliminate duplicates Z: 44 25.251 1.867 0.689 0.610 0.860 0.442 CB 1.279 30 residues pruned to eliminate duplicates Z: 13 7.700 1.791 0.370 0.379 0.667 0.500 CB 1.546 12 residues pruned to eliminate duplicates Z: 19 9.693 1.746 0.566 0.457 0.778 0.556 CB 1.123 16 residues pruned to eliminate duplicates Z: 13 24.298 2.169 0.657 0.928 0.917 0.917 CB 1.491 13 residues pruned to eliminate duplicates Z: 9 12.352 1.851 0.527 0.867 1.000 0.875 CA 1.131 Z: 11 16.790 1.933 0.790 0.778 0.900 0.600 CA 1.334 11 residues pruned to eliminate duplicates Z: 14 20.003 1.891 0.495 0.909 1.000 0.769 CB 1.392 14 residues pruned to eliminate duplicates Z: 15 9.744 1.877 0.460 0.251 0.857 0.571 CB 1.475 15 residues pruned to eliminate duplicates Z: 7 5.351 1.658 0.687 0.682 0.500 0.333 N 1.322 Z: 6 5.635 1.651 0.726 0.552 0.800 0.600 CB 1.051 Z: 15 21.222 1.826 0.781 0.811 0.929 0.500 CA 1.433 15 residues pruned to eliminate duplicates Z: 13 31.325 2.159 0.888 0.854 1.000 0.417 CA 1.639 13 residues pruned to eliminate duplicates Z: 47 21.560 1.960 0.535 0.523 0.783 0.522 CB 1.320 47 residues pruned to eliminate duplicates Z: 18 17.137 1.926 0.139 0.908 1.000 0.941 CA 1.347 18 residues pruned to eliminate duplicates Z: 18 22.658 1.981 0.654 0.870 1.000 0.588 CA 1.224 17 residues pruned to eliminate duplicates Z: 12 17.173 1.765 0.861 0.863 1.000 0.818 CA 1.157 12 residues pruned to eliminate duplicates Z: 26 20.307 1.968 0.318 0.670 0.960 0.720 CA 1.394 26 residues pruned to eliminate duplicates Z: 62 29.735 1.966 0.599 0.498 0.869 0.475 CB 1.397 51 residues pruned to eliminate duplicates Z: 6 10.332 1.900 0.777 0.806 1.000 0.800 CA 1.048 6 residues pruned to eliminate duplicates Z: 6 6.961 1.638 0.248 0.822 1.000 0.800 CA 1.152 6 residues pruned to eliminate duplicates Z: 13 22.985 1.914 0.840 0.897 1.000 0.750 CA 1.349 13 residues pruned to eliminate duplicates Z: 17 19.819 2.122 0.351 0.878 0.938 0.750 CA 1.337 17 residues pruned to eliminate duplicates Z: 18 7.117 1.820 0.477 0.310 0.824 0.471 CB 0.962 18 residues pruned to eliminate duplicates Z: 13 26.856 2.135 0.744 0.911 0.917 0.667 CA 1.609 13 residues pruned to eliminate duplicates Z: 13 8.916 1.612 0.426 0.800 0.917 0.833 CB 0.940 13 residues pruned to eliminate duplicates Z: 7 9.139 1.711 0.618 0.855 1.000 0.500 CA 0.994 Z: 12 22.624 2.186 0.713 0.877 0.909 0.727 CA 1.456 12 residues pruned to eliminate duplicates Z: 39 27.058 1.994 0.509 0.638 0.921 0.632 CA 1.391 39 residues pruned to eliminate duplicates Z: 18 22.434 1.998 0.576 0.880 1.000 0.824 CA 1.252 18 residues pruned to eliminate duplicates Z: 11 12.287 2.097 0.121 0.909 0.900 0.800 CB 1.303 11 residues pruned to eliminate duplicates Z: 13 17.333 1.968 0.916 0.737 0.833 0.500 CA 1.288 13 residues pruned to eliminate duplicates Z: 8 8.127 1.617 0.709 0.877 1.000 0.714 CA 0.807 7 residues pruned to eliminate duplicates Z: 7 12.041 1.541 0.843 0.835 1.000 0.500 C 1.296 8 residues pruned to eliminate duplicates Z: 16 34.428 2.158 1.062 0.904 1.000 0.667 CA 1.423 17 residues pruned to eliminate duplicates Z: 23 20.547 1.804 0.750 0.706 0.955 0.636 CA 1.206 Z: 9 6.187 1.703 0.212 0.740 0.875 0.625 CA 0.977 7 residues pruned to eliminate duplicates Z: 14 21.458 1.982 0.870 0.825 0.923 0.231 CB 1.313 14 residues pruned to eliminate duplicates Z: 14 15.576 1.776 0.612 0.832 0.923 0.615 CA 1.227 14 residues pruned to eliminate duplicates Z: 14 21.337 1.893 0.772 0.854 1.000 0.692 CA 1.303 14 residues pruned to eliminate duplicates Z: 7 2.920 1.355 0.126 0.669 0.833 0.833 CB 0.802 Z: 19 20.183 2.095 0.430 0.725 0.944 0.667 CA 1.372 19 residues pruned to eliminate duplicates Z: 17 20.976 2.112 0.328 0.908 1.000 0.750 CA 1.328 17 residues pruned to eliminate duplicates Z: 8 10.241 1.695 0.434 0.866 1.000 1.000 CA 1.166 7 residues pruned to eliminate duplicates Z: 13 22.352 2.003 0.643 0.890 1.000 0.833 CA 1.411 13 residues pruned to eliminate duplicates Z: 6 7.501 1.821 0.507 0.700 1.000 0.800 CA 1.019 6 residues pruned to eliminate duplicates Z: 21 17.947 2.088 0.666 0.503 0.850 0.650 CA 1.353 21 residues pruned to eliminate duplicates Z: 24 14.101 1.994 0.464 0.406 0.870 0.435 CA 1.279 24 residues pruned to eliminate duplicates Z: 10 12.233 1.878 0.626 0.879 1.000 0.778 CB 0.969 10 residues pruned to eliminate duplicates Z: 14 20.906 1.914 0.846 0.811 1.000 0.692 CA 1.252 14 residues pruned to eliminate duplicates Z: 14 23.248 1.891 0.725 0.850 1.000 0.769 CB 1.464 14 residues pruned to eliminate duplicates Z: 14 25.364 2.060 0.714 0.879 0.923 0.692 CA 1.565 14 residues pruned to eliminate duplicates Z: 6 3.016 1.346 0.496 0.298 0.800 0.800 O 1.050 Z: 9 5.637 1.661 0.196 0.486 0.750 0.625 CA 1.357 Z: 19 9.076 1.843 0.244 0.502 0.833 0.222 CB 1.117 19 residues pruned to eliminate duplicates Z: 14 23.204 1.944 0.697 0.804 1.000 0.692 CA 1.496 13 residues pruned to eliminate duplicates Z: 12 21.122 1.980 0.770 0.882 1.000 0.727 CB 1.315 11 residues pruned to eliminate duplicates Z: 12 9.744 1.845 0.676 0.398 0.727 0.545 CA 1.455 12 residues pruned to eliminate duplicates Z: 38 24.920 2.055 0.586 0.461 0.919 0.649 CB 1.423 38 residues pruned to eliminate duplicates Z: 13 22.804 2.068 0.774 0.842 0.917 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 17 16.741 1.641 0.423 0.846 1.000 0.562 CA 1.331 17 residues pruned to eliminate duplicates Z: 17 16.756 2.014 0.819 0.688 0.938 0.812 CB 1.026 19 residues pruned to eliminate duplicates Z: 14 18.369 1.844 0.766 0.832 0.923 0.462 CA 1.273 14 residues pruned to eliminate duplicates Z: 12 21.155 1.933 0.706 0.904 1.000 0.727 CB 1.378 12 residues pruned to eliminate duplicates Z: 8 19.407 2.133 0.686 0.881 1.000 0.571 CA 1.477 8 residues pruned to eliminate duplicates Z: 11 18.845 2.194 0.229 0.876 1.000 0.900 CA 1.606 11 residues pruned to eliminate duplicates Z: 10 10.399 1.785 0.521 0.870 1.000 0.889 CB 0.932 10 residues pruned to eliminate duplicates Z: 6 4.267 1.468 0.359 0.566 1.000 0.400 O 0.897 Z: 17 30.441 2.075 0.845 0.912 1.000 0.625 CA 1.408 17 residues pruned to eliminate duplicates Z: 7 9.232 2.133 0.234 0.838 1.000 1.000 CB 1.070 9 residues pruned to eliminate duplicates Z: 15 13.237 1.955 0.851 0.333 0.929 0.500 CB 1.263 15 residues pruned to eliminate duplicates Z: 12 18.721 1.918 0.624 0.904 1.000 0.909 CA 1.291 12 residues pruned to eliminate duplicates Z: 20 22.092 2.000 0.538 0.669 1.000 0.632 CA 1.410 20 residues pruned to eliminate duplicates Z: 16 8.999 1.852 0.548 0.346 0.733 0.733 CB 1.307 16 residues pruned to eliminate duplicates Z: 9 10.288 1.718 0.759 0.749 0.875 0.250 CA 1.101 8 residues pruned to eliminate duplicates Z: 10 7.233 1.750 0.834 0.460 0.667 0.556 CA 1.173 10 residues pruned to eliminate duplicates Z: 16 7.114 1.761 0.268 0.375 0.867 0.400 CB 1.085 12 residues pruned to eliminate duplicates Z: 53 36.187 2.101 0.672 0.596 0.942 0.673 CA 1.383 35 residues pruned to eliminate duplicates Z: 38 20.285 1.863 0.503 0.441 0.865 0.541 CB 1.464 31 residues pruned to eliminate duplicates Z: 13 17.155 1.830 0.795 0.880 0.917 0.250 CA 1.192 13 residues pruned to eliminate duplicates Z: 34 21.709 2.021 0.466 0.533 0.909 0.667 CA 1.358 34 residues pruned to eliminate duplicates Z: 17 17.157 1.898 0.543 0.875 0.875 0.812 CA 1.217 17 residues pruned to eliminate duplicates Z: 29 22.990 1.908 0.857 0.601 0.857 0.607 CA 1.299 29 residues pruned to eliminate duplicates Z: 13 13.140 1.651 0.416 0.843 1.000 0.917 CB 1.208 12 residues pruned to eliminate duplicates Z: 14 15.905 1.965 0.198 0.850 0.923 0.692 CA 1.503 14 residues pruned to eliminate duplicates Z: 13 13.244 2.002 0.231 0.822 0.917 0.750 CA 1.280 13 residues pruned to eliminate duplicates Z: 32 22.938 1.977 0.708 0.497 0.903 0.516 CB 1.355 32 residues pruned to eliminate duplicates Z: 11 14.003 1.855 0.762 0.866 0.800 0.800 CB 1.240 11 residues pruned to eliminate duplicates Z: 12 14.279 1.805 0.934 0.819 0.727 0.727 CA 1.285 12 residues pruned to eliminate duplicates Z: 6 5.072 1.249 1.374 0.614 1.000 0.600 C 0.687 5 residues pruned to eliminate duplicates Z: 24 13.826 1.714 0.454 0.521 0.870 0.652 CB 1.303 11 residues pruned to eliminate duplicates Z: 12 19.946 2.112 0.369 0.909 1.000 0.909 CA 1.476 12 residues pruned to eliminate duplicates Z: 17 24.576 2.126 0.681 0.910 1.000 0.875 CA 1.219 17 residues pruned to eliminate duplicates Z: 13 15.599 1.925 0.386 0.875 1.000 0.917 CB 1.227 13 residues pruned to eliminate duplicates Z: 12 18.683 2.003 0.769 0.834 0.909 0.636 CB 1.311 12 residues pruned to eliminate duplicates Z: 37 18.985 1.906 0.573 0.543 0.889 0.417 CB 1.138 34 residues pruned to eliminate duplicates Z: 9 4.920 1.557 0.396 0.470 0.750 0.625 CB 1.100 9 residues pruned to eliminate duplicates Z: 13 20.675 1.903 0.807 0.893 0.917 0.500 CA 1.359 13 residues pruned to eliminate duplicates Z: 13 17.930 1.978 0.475 0.916 1.000 0.917 CB 1.253 13 residues pruned to eliminate duplicates Z: 18 14.066 1.914 0.547 0.336 1.000 0.647 CA 1.378 18 residues pruned to eliminate duplicates Z: 17 24.416 2.097 0.760 0.905 1.000 0.938 CA 1.176 17 residues pruned to eliminate duplicates Z: 38 32.704 2.066 0.657 0.653 0.946 0.649 CA 1.439 38 residues pruned to eliminate duplicates Z: 13 18.963 1.972 0.595 0.878 0.917 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 17 18.829 2.035 0.352 0.885 1.000 0.938 CA 1.235 17 residues pruned to eliminate duplicates Z: 31 19.057 1.920 0.617 0.513 0.833 0.433 CA 1.327 31 residues pruned to eliminate duplicates Z: 7 10.015 1.758 0.951 0.776 1.000 0.667 CA 0.934 7 residues pruned to eliminate duplicates Z: 32 21.223 1.894 0.600 0.586 0.935 0.581 CA 1.238 32 residues pruned to eliminate duplicates Z: 17 14.017 1.654 0.349 0.833 0.938 0.625 CA 1.256 17 residues pruned to eliminate duplicates Z: 40 20.191 1.932 0.727 0.431 0.872 0.667 CA 1.194 38 residues pruned to eliminate duplicates Z: 6 7.956 1.727 0.570 0.653 1.000 0.600 CA 1.138 6 residues pruned to eliminate duplicates Z: 6 6.193 1.939 -0.063 0.801 1.000 0.600 CB 1.172 6 residues pruned to eliminate duplicates Z: 8 9.185 1.583 0.814 0.770 0.857 0.571 CA 1.111 8 residues pruned to eliminate duplicates Z: 14 24.578 2.071 0.587 0.932 1.000 0.846 CA 1.449 14 residues pruned to eliminate duplicates Z: 62 28.245 1.976 0.488 0.514 0.869 0.508 CB 1.397 50 residues pruned to eliminate duplicates Z: 16 18.927 1.935 0.484 0.817 0.867 0.667 CA 1.491 16 residues pruned to eliminate duplicates Z: 10 14.959 1.896 1.052 0.875 1.000 0.667 CA 0.932 9 residues pruned to eliminate duplicates Z: 75 39.565 2.020 0.609 0.597 0.905 0.595 CB 1.425 75 residues pruned to eliminate duplicates Z: 28 23.468 1.993 0.671 0.615 0.963 0.667 CA 1.263 28 residues pruned to eliminate duplicates Z: 13 19.767 2.061 0.322 0.923 1.000 1.000 CA 1.472 13 residues pruned to eliminate duplicates Z: 16 25.672 2.176 0.488 0.908 1.000 0.667 CA 1.454 16 residues pruned to eliminate duplicates Z: 38 34.983 2.087 0.671 0.666 0.973 0.568 CA 1.453 38 residues pruned to eliminate duplicates Z: 11 3.833 1.577 0.385 0.252 0.800 0.500 CA 0.923 11 residues pruned to eliminate duplicates Z: 7 5.927 1.769 -0.016 0.799 1.000 0.833 CA 1.070 7 residues pruned to eliminate duplicates Z: 7 9.612 1.676 0.449 0.872 1.000 1.000 CA 1.178 7 residues pruned to eliminate duplicates Z: 16 18.581 2.124 0.362 0.864 0.867 0.733 CA 1.402 16 residues pruned to eliminate duplicates Z: 15 16.707 2.000 0.567 0.880 0.857 0.786 CA 1.205 15 residues pruned to eliminate duplicates Z: 35 24.199 2.030 0.480 0.550 0.941 0.618 CB 1.398 35 residues pruned to eliminate duplicates Z: 16 18.598 1.712 0.791 0.862 0.933 0.600 CA 1.233 16 residues pruned to eliminate duplicates Z: 6 8.111 1.744 0.261 0.863 1.000 0.800 CB 1.211 6 residues pruned to eliminate duplicates Z: 10 15.154 1.874 0.848 0.862 1.000 0.889 CB 1.071 10 residues pruned to eliminate duplicates Z: 6 7.666 1.866 0.371 0.815 0.800 0.600 CA 1.274 6 residues pruned to eliminate duplicates Z: 22 14.363 1.733 0.633 0.508 0.810 0.333 CB 1.357 20 residues pruned to eliminate duplicates Z: 13 21.243 2.005 0.692 0.818 1.000 0.750 CA 1.372 13 residues pruned to eliminate duplicates Z: 13 17.935 1.889 0.845 0.878 0.917 0.833 CB 1.176 13 residues pruned to eliminate duplicates Z: 17 10.349 1.866 0.508 0.583 0.812 0.500 CB 1.046 17 residues pruned to eliminate duplicates Z: 24 20.016 1.825 0.894 0.417 0.913 0.565 CA 1.442 24 residues pruned to eliminate duplicates Z: 18 18.573 1.896 0.391 0.882 1.000 0.765 CB 1.236 18 residues pruned to eliminate duplicates Z: 13 18.368 1.872 0.717 0.861 0.917 0.500 CA 1.322 13 residues pruned to eliminate duplicates Z: 15 18.868 1.812 0.794 0.862 0.929 0.286 CB 1.226 15 residues pruned to eliminate duplicates Z: 13 16.862 2.104 0.519 0.816 1.000 0.750 CA 1.157 13 residues pruned to eliminate duplicates Z: 10 13.056 1.911 0.529 0.858 0.778 0.778 CB 1.411 10 residues pruned to eliminate duplicates Z: 30 15.626 1.929 0.456 0.508 0.862 0.724 CB 1.189 30 residues pruned to eliminate duplicates Z: 31 30.118 2.141 0.740 0.586 0.967 0.600 CA 1.406 31 residues pruned to eliminate duplicates Z: 17 15.739 1.882 0.258 0.884 1.000 0.688 CA 1.201 17 residues pruned to eliminate duplicates Z: 14 18.856 1.902 0.533 0.785 1.000 0.615 CA 1.396 14 residues pruned to eliminate duplicates Z: 14 6.816 1.741 0.169 0.363 1.000 0.308 CB 1.077 8 residues pruned to eliminate duplicates Z: 17 20.637 2.047 0.573 0.871 1.000 0.812 CA 1.169 17 residues pruned to eliminate duplicates Z: 9 27.360 2.240 0.987 0.927 1.000 0.125 CB 1.523 9 residues pruned to eliminate duplicates Z: 17 13.158 1.749 0.497 0.503 0.938 0.625 CB 1.337 14 residues pruned to eliminate duplicates Z: 7 5.925 1.596 0.980 0.511 0.667 0.500 CB 1.136 Z: 15 9.687 1.663 0.518 0.419 0.857 0.429 CB 1.301 15 residues pruned to eliminate duplicates Z: 12 21.441 2.160 0.408 0.894 1.000 0.636 CA 1.525 12 residues pruned to eliminate duplicates Z: 8 5.443 1.582 0.589 0.835 0.857 0.429 CB 0.715 8 residues pruned to eliminate duplicates Z: 8 9.048 2.027 0.327 0.843 1.000 0.857 CB 0.946 8 residues pruned to eliminate duplicates Z: 12 7.691 1.690 0.808 0.366 0.727 0.455 CA 1.205 12 residues pruned to eliminate duplicates Z: 12 17.188 2.061 0.624 0.796 0.909 0.727 CA 1.315 12 residues pruned to eliminate duplicates Z: 12 11.236 1.769 0.220 0.752 1.000 0.636 CA 1.255 12 residues pruned to eliminate duplicates Z: 12 14.440 1.782 0.646 0.881 0.818 0.455 CA 1.313 12 residues pruned to eliminate duplicates Z: 26 15.822 1.734 0.625 0.613 0.960 0.400 CB 1.052 26 residues pruned to eliminate duplicates Z: 9 7.662 1.639 0.495 0.861 0.750 0.625 CA 1.083 9 residues pruned to eliminate duplicates Z: 14 13.516 1.844 0.346 0.879 0.923 0.846 CB 1.186 14 residues pruned to eliminate duplicates Z: 6 7.123 1.690 0.420 0.791 0.800 0.400 CA 1.285 5 residues pruned to eliminate duplicates Z: 14 15.973 1.968 0.433 0.832 1.000 0.769 CA 1.179 14 residues pruned to eliminate duplicates Z: 12 23.515 2.015 0.872 0.905 1.000 0.909 CA 1.337 12 residues pruned to eliminate duplicates Z: 11 14.226 2.001 0.365 0.895 1.000 1.000 CA 1.181 11 residues pruned to eliminate duplicates Z: 13 26.885 2.199 0.602 0.864 1.000 0.750 CA 1.615 13 residues pruned to eliminate duplicates Z: 9 3.949 1.520 0.272 0.433 0.875 0.625 CB 0.885 9 residues pruned to eliminate duplicates Z: 55 26.457 1.993 0.522 0.514 0.815 0.444 CB 1.437 55 residues pruned to eliminate duplicates Z: 47 31.347 1.990 0.479 0.618 0.935 0.652 CB 1.503 47 residues pruned to eliminate duplicates Z: 18 16.338 1.948 0.751 0.397 0.941 0.471 CA 1.376 18 residues pruned to eliminate duplicates Z: 12 17.307 1.871 0.620 0.924 1.000 0.818 CA 1.209 12 residues pruned to eliminate duplicates Z: 12 19.084 1.772 0.921 0.887 1.000 0.909 CB 1.219 13 residues pruned to eliminate duplicates Z: 13 18.039 1.920 0.481 0.887 1.000 0.750 CA 1.320 13 residues pruned to eliminate duplicates Z: 16 22.653 1.914 0.541 0.865 1.000 0.667 CA 1.453 16 residues pruned to eliminate duplicates Z: 9 8.944 1.902 0.086 0.821 1.000 0.625 CB 1.159 9 residues pruned to eliminate duplicates Z: 27 19.412 1.933 0.528 0.635 0.885 0.731 CB 1.284 27 residues pruned to eliminate duplicates Z: 14 20.472 1.853 0.964 0.869 0.923 0.692 CA 1.234 14 residues pruned to eliminate duplicates Z: 17 23.085 1.928 0.771 0.827 0.938 0.312 CA 1.359 17 residues pruned to eliminate duplicates Z: 28 25.696 2.114 0.518 0.591 0.963 0.667 CA 1.467 28 residues pruned to eliminate duplicates Z: 10 14.719 1.977 0.486 0.848 1.000 0.778 CB 1.239 10 residues pruned to eliminate duplicates Z: 30 27.331 2.067 0.634 0.653 0.931 0.621 CA 1.400 30 residues pruned to eliminate duplicates Z: 21 9.201 1.908 0.265 0.520 0.750 0.550 CB 1.114 21 residues pruned to eliminate duplicates Z: 7 6.748 1.553 0.546 0.776 1.000 0.667 CA 0.899 Z: 46 19.726 1.850 0.431 0.451 0.911 0.600 CB 1.281 33 residues pruned to eliminate duplicates Z: 14 18.229 1.884 0.696 0.830 1.000 0.692 CA 1.189 14 residues pruned to eliminate duplicates Z: 13 11.830 1.612 0.415 0.892 0.917 0.833 CB 1.174 13 residues pruned to eliminate duplicates Z: 8 2.137 1.525 0.042 0.264 0.714 0.571 CB 0.932 Z: 14 12.222 2.039 0.614 0.300 1.000 0.615 CB 1.287 14 residues pruned to eliminate duplicates Z: 12 21.014 2.156 0.482 0.853 1.000 0.636 CA 1.466 12 residues pruned to eliminate duplicates Z: 22 17.091 1.982 0.650 0.409 0.905 0.524 CA 1.387 22 residues pruned to eliminate duplicates Z: 15 21.227 1.809 0.979 0.790 1.000 0.643 CA 1.229 15 residues pruned to eliminate duplicates Z: 9 12.710 1.817 0.725 0.583 1.000 0.500 CB 1.323 9 residues pruned to eliminate duplicates Z: 17 20.968 2.024 0.352 0.748 1.000 0.750 CA 1.534 17 residues pruned to eliminate duplicates Z: 13 21.994 2.156 0.451 0.910 0.917 0.833 CB 1.569 13 residues pruned to eliminate duplicates Z: 26 25.294 2.160 0.547 0.529 0.960 0.680 CA 1.533 26 residues pruned to eliminate duplicates Z: 13 20.032 1.937 0.929 0.812 0.917 0.500 CA 1.287 13 residues pruned to eliminate duplicates Z: 8 3.411 1.609 -0.004 0.423 0.857 0.571 CB 1.017 Z: 16 9.660 1.670 0.583 0.616 0.867 0.400 CA 0.976 16 residues pruned to eliminate duplicates Z: 11 11.583 1.816 0.628 0.447 1.000 0.700 CB 1.308 11 residues pruned to eliminate duplicates Z: 14 8.209 1.679 0.205 0.733 0.846 0.462 CA 1.079 14 residues pruned to eliminate duplicates Z: 13 18.092 1.916 0.691 0.797 0.917 0.667 CB 1.357 13 residues pruned to eliminate duplicates Z: 7 5.829 1.691 0.104 0.837 1.000 1.000 CB 0.953 Z: 43 28.045 1.997 0.537 0.645 0.905 0.690 CB 1.361 43 residues pruned to eliminate duplicates Z: 6 3.340 1.538 0.221 0.300 0.800 0.400 N 1.244 Z: 11 15.855 1.855 0.476 0.887 1.000 1.000 CB 1.321 11 residues pruned to eliminate duplicates Z: 18 21.459 1.908 0.611 0.901 1.000 0.765 CB 1.208 18 residues pruned to eliminate duplicates Z: 10 10.224 1.840 0.414 0.625 0.889 0.667 CB 1.310 10 residues pruned to eliminate duplicates Z: 12 21.433 1.945 0.735 0.892 1.000 0.727 CA 1.376 12 residues pruned to eliminate duplicates Z: 14 22.319 1.901 0.798 0.862 1.000 0.769 CA 1.329 14 residues pruned to eliminate duplicates Z: 13 15.805 1.939 0.851 0.775 0.917 0.583 CB 1.087 13 residues pruned to eliminate duplicates Z: 6 4.726 1.504 0.949 0.544 0.800 0.600 CA 0.863 Z: 20 11.664 1.641 0.641 0.397 0.895 0.474 CB 1.237 17 residues pruned to eliminate duplicates Z: 6 8.436 1.526 0.885 0.707 1.000 0.600 CA 1.087 6 residues pruned to eliminate duplicates Z: 8 9.371 1.859 0.514 0.835 0.714 0.714 CA 1.320 8 residues pruned to eliminate duplicates Z: 39 22.232 1.960 0.500 0.483 0.947 0.658 CA 1.317 39 residues pruned to eliminate duplicates Z: 9 13.752 1.937 0.933 0.890 1.000 0.750 CA 0.934 9 residues pruned to eliminate duplicates Z: 7 8.640 1.681 0.951 0.721 0.833 0.833 CB 1.057 Z: 7 7.381 1.694 0.286 0.608 1.000 0.833 CA 1.249 7 residues pruned to eliminate duplicates Z: 15 13.525 1.818 0.584 0.751 0.929 0.643 CA 1.080 15 residues pruned to eliminate duplicates Z: 7 13.559 1.880 0.752 0.716 1.000 0.667 CB 1.382 7 residues pruned to eliminate duplicates Z: 6 5.037 1.466 0.214 0.773 1.000 0.800 CB 0.994 6 residues pruned to eliminate duplicates Z: 14 12.984 1.992 0.448 0.449 0.923 0.462 CB 1.426 14 residues pruned to eliminate duplicates Z: 15 22.500 2.032 0.533 0.846 0.929 0.500 CA 1.545 15 residues pruned to eliminate duplicates Z: 26 22.428 2.048 0.476 0.513 1.000 0.680 CA 1.465 27 residues pruned to eliminate duplicates Z: 14 18.124 1.893 0.734 0.728 1.000 0.615 CA 1.247 14 residues pruned to eliminate duplicates Z: 7 4.262 1.628 0.532 0.716 0.667 0.667 CB 0.861 7 residues pruned to eliminate duplicates Z: 50 21.641 1.851 0.495 0.506 0.816 0.469 CA 1.360 51 residues pruned to eliminate duplicates Z: 11 12.408 1.753 0.798 0.456 1.000 0.700 CA 1.302 11 residues pruned to eliminate duplicates Z: 11 14.817 1.890 0.631 0.913 1.000 0.900 CA 1.076 11 residues pruned to eliminate duplicates Z: 13 24.578 1.909 0.960 0.902 1.000 0.750 CA 1.352 13 residues pruned to eliminate duplicates Z: 8 4.834 1.566 0.005 0.785 0.857 0.571 CB 1.054 Z: 31 16.626 1.807 0.566 0.489 0.800 0.333 CB 1.357 23 residues pruned to eliminate duplicates Z: 32 14.285 1.844 0.564 0.374 0.710 0.516 CB 1.434 32 residues pruned to eliminate duplicates Z: 6 3.900 1.630 0.685 0.451 0.800 0.600 CB 0.835 6 residues pruned to eliminate duplicates Z: 51 27.785 1.974 0.523 0.547 0.880 0.600 CB 1.418 51 residues pruned to eliminate duplicates Z: 40 23.232 1.998 0.669 0.519 0.897 0.487 CB 1.220 40 residues pruned to eliminate duplicates Z: 6 5.515 1.546 1.015 0.447 0.800 0.400 CB 1.045 Z: 12 5.058 1.433 0.924 0.372 0.727 0.636 CA 0.872 12 residues pruned to eliminate duplicates Z: 42 21.800 1.979 0.357 0.460 0.927 0.634 CA 1.425 32 residues pruned to eliminate duplicates Z: 6 2.885 1.826 -0.139 0.739 0.800 0.800 CB 0.828 Z: 18 21.075 2.080 0.509 0.899 1.000 0.765 CA 1.164 18 residues pruned to eliminate duplicates Z: 44 27.520 2.015 0.691 0.509 0.907 0.605 CA 1.345 44 residues pruned to eliminate duplicates Z: 29 15.355 1.873 0.603 0.394 0.893 0.536 CB 1.211 29 residues pruned to eliminate duplicates Z: 7 6.083 1.705 0.495 0.794 0.833 0.833 CB 0.904 5 residues pruned to eliminate duplicates Z: 19 8.762 1.656 0.530 0.309 0.778 0.556 N 1.295 19 residues pruned to eliminate duplicates Z: 15 17.829 1.904 0.645 0.831 0.929 0.643 CB 1.231 15 residues pruned to eliminate duplicates Z: 21 11.614 1.851 0.308 0.389 0.900 0.650 CB 1.341 21 residues pruned to eliminate duplicates Z: 17 10.982 1.912 0.529 0.291 0.938 0.625 CB 1.266 17 residues pruned to eliminate duplicates Z: 12 20.505 2.152 0.418 0.900 0.909 0.727 CA 1.592 12 residues pruned to eliminate duplicates Z: 12 19.043 1.812 0.830 0.903 1.000 0.545 CA 1.234 12 residues pruned to eliminate duplicates Z: 31 26.795 2.030 0.585 0.593 1.000 0.600 CA 1.391 31 residues pruned to eliminate duplicates Z: 13 9.015 1.913 0.261 0.319 0.917 0.583 CB 1.436 13 residues pruned to eliminate duplicates Z: 27 20.319 1.976 0.781 0.582 0.923 0.731 CA 1.134 32 residues pruned to eliminate duplicates Z: 23 13.153 1.841 0.486 0.303 0.909 0.364 CA 1.404 23 residues pruned to eliminate duplicates Z: 28 16.264 1.933 0.611 0.468 0.889 0.704 CA 1.168 28 residues pruned to eliminate duplicates Z: 16 6.540 1.700 0.421 0.321 0.933 0.600 CB 0.912 16 residues pruned to eliminate duplicates Z: 14 20.383 1.927 0.649 0.843 1.000 0.769 CA 1.324 14 residues pruned to eliminate duplicates Z: 12 16.210 1.750 0.678 0.851 1.000 0.818 CB 1.232 12 residues pruned to eliminate duplicates Z: 41 27.911 1.998 0.602 0.622 0.850 0.500 CA 1.446 41 residues pruned to eliminate duplicates Z: 25 21.189 1.990 0.462 0.620 0.917 0.708 CB 1.449 25 residues pruned to eliminate duplicates Z: 8 3.235 1.313 0.563 0.330 0.857 0.429 N 0.837 Z: 6 7.402 1.711 1.079 0.485 0.800 0.600 N 1.181 Z: 10 14.209 1.942 0.471 0.898 0.889 0.889 CB 1.334 10 residues pruned to eliminate duplicates Z: 10 11.087 1.757 0.502 0.888 1.000 0.889 CB 1.009 10 residues pruned to eliminate duplicates Z: 22 20.685 1.954 0.570 0.663 0.905 0.714 CB 1.399 17 residues pruned to eliminate duplicates Z: 31 22.126 2.022 0.622 0.472 0.900 0.667 CA 1.408 31 residues pruned to eliminate duplicates Z: 22 15.448 1.917 0.477 0.407 0.905 0.619 CB 1.450 22 residues pruned to eliminate duplicates Z: 15 19.041 2.020 0.433 0.777 0.929 0.500 CA 1.483 15 residues pruned to eliminate duplicates Z: 15 15.268 1.882 0.494 0.853 0.929 0.786 CA 1.155 15 residues pruned to eliminate duplicates Z: 20 18.414 1.854 0.631 0.676 0.947 0.526 CA 1.254 20 residues pruned to eliminate duplicates Z: 12 9.778 1.843 0.291 0.795 0.818 0.818 CA 1.169 12 residues pruned to eliminate duplicates Z: 15 9.013 1.467 0.811 0.356 0.857 0.500 CB 1.235 15 residues pruned to eliminate duplicates Z: 18 14.873 1.825 0.730 0.598 0.824 0.706 CB 1.263 18 residues pruned to eliminate duplicates Z: 18 16.530 1.898 0.607 0.601 0.882 0.647 CA 1.353 17 residues pruned to eliminate duplicates Z: 12 25.353 1.933 1.037 0.903 1.000 0.636 CA 1.384 12 residues pruned to eliminate duplicates Z: 31 22.620 1.873 0.687 0.517 0.867 0.467 CA 1.483 31 residues pruned to eliminate duplicates Z: 9 9.176 1.841 0.510 0.785 1.000 0.750 CB 0.908 9 residues pruned to eliminate duplicates Z: 13 13.107 1.707 0.449 0.905 1.000 0.500 CB 1.089 15 residues pruned to eliminate duplicates Z: 26 23.343 2.039 0.576 0.531 0.960 0.680 CA 1.469 26 residues pruned to eliminate duplicates Z: 10 7.470 1.790 0.504 0.424 0.778 0.667 CB 1.287 12 residues pruned to eliminate duplicates Z: 14 19.576 2.083 0.472 0.883 0.923 0.615 CA 1.387 14 residues pruned to eliminate duplicates Z: 32 15.556 1.991 0.249 0.520 0.839 0.581 CB 1.313 32 residues pruned to eliminate duplicates Z: 34 25.037 2.008 0.678 0.473 0.939 0.606 CB 1.414 34 residues pruned to eliminate duplicates Z: 18 16.620 1.767 0.668 0.858 0.882 0.824 CA 1.141 18 residues pruned to eliminate duplicates Z: 14 14.093 2.002 0.904 0.385 0.923 0.692 CA 1.255 14 residues pruned to eliminate duplicates Z: 14 11.475 1.657 0.546 0.879 0.846 0.692 CB 1.065 14 residues pruned to eliminate duplicates Z: 6 8.608 1.806 0.395 0.877 1.000 1.000 CA 1.109 6 residues pruned to eliminate duplicates Z: 18 20.447 1.902 0.455 0.894 1.000 0.765 CA 1.285 18 residues pruned to eliminate duplicates Z: 11 21.714 2.050 0.691 0.915 1.000 0.900 CA 1.400 11 residues pruned to eliminate duplicates Z: 7 2.695 1.609 -0.122 0.656 1.000 0.667 CB 0.673 6 residues pruned to eliminate duplicates Z: 13 11.909 1.705 0.504 0.893 0.917 0.833 CA 1.050 13 residues pruned to eliminate duplicates Z: 11 12.990 1.810 0.895 0.861 1.000 0.900 CB 0.880 11 residues pruned to eliminate duplicates Z: 6 2.869 1.433 0.330 0.397 1.000 0.400 N 0.751 Z: 6 3.192 1.371 0.032 0.745 0.800 0.600 CB 1.013 6 residues pruned to eliminate duplicates Z: 12 20.218 2.075 0.748 0.856 0.818 0.545 CA 1.515 12 residues pruned to eliminate duplicates Z: 17 13.697 1.847 0.491 0.834 0.688 0.438 CA 1.356 17 residues pruned to eliminate duplicates Z: 11 6.946 1.766 0.188 0.480 0.900 0.900 CB 1.187 9 residues pruned to eliminate duplicates Z: 9 20.159 2.004 0.950 0.889 1.000 0.750 CB 1.313 9 residues pruned to eliminate duplicates Z: 42 29.528 2.007 0.748 0.514 0.927 0.659 CA 1.399 42 residues pruned to eliminate duplicates Z: 12 14.068 1.718 0.348 0.920 1.000 1.000 CA 1.289 12 residues pruned to eliminate duplicates Z: 52 29.404 1.941 0.742 0.496 0.941 0.569 CA 1.299 52 residues pruned to eliminate duplicates Z: 26 14.013 1.907 0.606 0.375 0.840 0.600 CB 1.245 26 residues pruned to eliminate duplicates Z: 17 16.420 1.817 0.472 0.791 0.875 0.812 CA 1.360 17 residues pruned to eliminate duplicates Z: 11 10.236 1.740 0.337 0.628 0.900 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 9 7.698 1.784 0.385 0.523 0.750 0.500 CB 1.436 7 residues pruned to eliminate duplicates Z: 11 12.168 1.762 0.491 0.875 0.800 0.800 CB 1.332 11 residues pruned to eliminate duplicates Z: 20 9.227 1.899 0.170 0.329 0.842 0.632 CB 1.366 20 residues pruned to eliminate duplicates Z: 30 19.269 1.954 0.520 0.530 0.931 0.655 CA 1.256 30 residues pruned to eliminate duplicates Z: 17 15.848 1.962 0.517 0.489 1.000 0.625 CB 1.347 17 residues pruned to eliminate duplicates Z: 6 4.679 1.744 0.640 0.736 1.000 0.800 CB 0.592 Z: 16 10.463 1.943 0.562 0.317 0.933 0.667 CB 1.167 16 residues pruned to eliminate duplicates Z: 6 4.811 1.751 0.213 0.487 1.000 0.800 CA 1.027 6 residues pruned to eliminate duplicates Z: 12 19.383 1.921 0.655 0.896 1.000 0.364 CA 1.317 12 residues pruned to eliminate duplicates Z: 20 11.567 1.938 0.304 0.576 0.895 0.421 CA 1.090 20 residues pruned to eliminate duplicates Z: 22 14.000 1.992 0.349 0.365 0.952 0.619 CB 1.381 22 residues pruned to eliminate duplicates Z: 9 6.027 1.615 0.181 0.708 0.875 0.750 CA 1.056 8 residues pruned to eliminate duplicates Z: 10 10.041 1.738 0.303 0.896 1.000 0.889 CA 1.059 10 residues pruned to eliminate duplicates Z: 12 18.195 1.877 0.647 0.902 0.909 0.364 CA 1.393 17 residues pruned to eliminate duplicates Z: 62 29.108 1.976 0.561 0.517 0.902 0.656 CB 1.317 62 residues pruned to eliminate duplicates Z: 16 24.731 2.133 0.659 0.883 1.000 0.867 CA 1.304 16 residues pruned to eliminate duplicates Z: 67 26.129 1.927 0.470 0.512 0.833 0.500 CB 1.345 67 residues pruned to eliminate duplicates Z: 16 21.725 2.002 0.932 0.639 0.933 0.533 CB 1.364 16 residues pruned to eliminate duplicates Z: 7 3.965 1.548 0.148 0.405 1.000 0.667 CA 1.007 Z: 14 12.433 1.639 0.759 0.834 1.000 0.769 CB 0.897 14 residues pruned to eliminate duplicates Z: 13 16.997 2.081 0.397 0.888 1.000 0.917 CA 1.216 13 residues pruned to eliminate duplicates Z: 17 21.926 1.930 0.684 0.823 0.938 0.750 CA 1.360 17 residues pruned to eliminate duplicates Z: 13 25.626 2.004 0.872 0.876 1.000 0.417 CB 1.433 13 residues pruned to eliminate duplicates Z: 10 21.241 1.950 1.390 0.802 0.889 0.889 CA 1.312 10 residues pruned to eliminate duplicates Z: 18 15.921 1.612 0.492 0.864 1.000 0.765 CA 1.177 18 residues pruned to eliminate duplicates Z: 9 7.373 1.905 0.211 0.897 1.000 0.875 CA 0.809 9 residues pruned to eliminate duplicates Z: 11 7.220 1.754 0.343 0.592 0.900 0.700 CB 0.987 11 residues pruned to eliminate duplicates 6 1.680 1.373 0.141 0.296 0.800 0.200 CB 0.753 ? Z: 6 10.056 1.816 0.464 0.824 1.000 0.600 CA 1.278 6 residues pruned to eliminate duplicates Z: 13 24.345 2.164 0.514 0.908 1.000 0.833 CB 1.524 13 residues pruned to eliminate duplicates Z: 30 24.427 2.020 0.483 0.609 0.966 0.690 CA 1.415 30 residues pruned to eliminate duplicates Z: 14 12.007 1.673 0.681 0.896 0.846 0.615 CB 1.002 13 residues pruned to eliminate duplicates Z: 7 4.284 1.525 0.441 0.506 0.667 0.333 N 1.186 Z: 46 23.867 1.937 0.507 0.501 0.911 0.556 CB 1.337 46 residues pruned to eliminate duplicates Z: 13 9.776 1.942 0.430 0.277 1.000 0.667 CA 1.307 13 residues pruned to eliminate duplicates Z: 12 16.821 1.882 0.682 0.877 1.000 0.818 CA 1.163 12 residues pruned to eliminate duplicates Z: 21 11.280 1.875 0.291 0.597 0.850 0.550 CB 1.117 21 residues pruned to eliminate duplicates Z: 13 15.542 1.966 0.541 0.724 1.000 0.750 CA 1.210 13 residues pruned to eliminate duplicates Z: 11 7.763 1.866 0.475 0.329 0.800 0.600 CB 1.344 11 residues pruned to eliminate duplicates Z: 12 12.042 1.675 0.373 0.874 0.909 0.727 CB 1.264 12 residues pruned to eliminate duplicates Z: 10 15.052 1.703 0.555 0.924 1.000 0.667 CA 1.330 10 residues pruned to eliminate duplicates Z: 13 19.551 1.998 0.569 0.811 1.000 0.667 CA 1.373 13 residues pruned to eliminate duplicates Z: 23 18.730 1.913 0.675 0.411 0.955 0.500 CA 1.433 23 residues pruned to eliminate duplicates Z: 6 8.477 1.708 0.298 0.799 1.000 0.600 N 1.317 6 residues pruned to eliminate duplicates Z: 30 16.164 1.809 0.495 0.561 0.828 0.552 CA 1.263 30 residues pruned to eliminate duplicates Z: 12 5.596 1.535 0.317 0.404 0.909 0.636 CA 1.016 12 residues pruned to eliminate duplicates Z: 39 17.243 1.882 0.308 0.467 0.868 0.605 CA 1.354 39 residues pruned to eliminate duplicates Z: 15 12.464 1.934 0.425 0.442 0.929 0.571 CA 1.381 15 residues pruned to eliminate duplicates Z: 124 41.725 1.961 0.550 0.509 0.886 0.569 CB 1.385 145 residues pruned to eliminate duplicates Z: 37 21.289 1.987 0.492 0.445 0.917 0.750 CA 1.381 37 residues pruned to eliminate duplicates Z: 16 13.399 2.018 0.368 0.526 0.933 0.733 CA 1.308 16 residues pruned to eliminate duplicates Z: 10 4.377 1.561 0.412 0.333 0.889 0.667 CB 0.894 10 residues pruned to eliminate duplicates Z: 10 16.540 1.893 1.214 0.871 1.000 0.889 CA 0.960 10 residues pruned to eliminate duplicates Z: 7 7.833 1.879 0.531 0.828 0.667 0.333 CB 1.256 7 residues pruned to eliminate duplicates Z: 14 22.144 1.915 0.710 0.854 1.000 0.846 CA 1.386 14 residues pruned to eliminate duplicates Z: 10 4.114 1.634 0.465 0.166 0.778 0.556 CB 1.105 10 residues pruned to eliminate duplicates 7 1.266 1.389 -0.070 0.357 0.667 0.500 CB 0.700 ? Z: 25 19.981 1.856 0.562 0.657 0.958 0.667 CB 1.269 22 residues pruned to eliminate duplicates 6 1.332 1.443 0.178 0.225 0.400 0.400 CA 1.208 ? 7 1.922 1.318 -0.064 0.399 1.000 0.333 CB 0.707 ? Z: 7 13.341 2.010 0.630 0.600 1.000 1.000 CA 1.512 7 residues pruned to eliminate duplicates Z: 12 19.472 1.992 0.673 0.921 0.909 0.636 CB 1.363 12 residues pruned to eliminate duplicates Z: 13 6.904 1.481 0.395 0.892 0.917 0.750 CB 0.756 Z: 16 13.480 1.669 0.347 0.858 1.000 0.800 CA 1.140 Z: 6 6.146 1.647 0.768 0.681 0.800 0.800 CA 0.998 7 residues pruned to eliminate duplicates Z: 7 5.395 1.986 -0.081 0.831 1.000 0.333 CB 0.907 7 residues pruned to eliminate duplicates Z: 15 12.192 1.659 0.193 0.885 1.000 0.929 CA 1.189 15 residues pruned to eliminate duplicates Z: 14 16.961 1.850 0.675 0.818 0.846 0.692 CA 1.361 14 residues pruned to eliminate duplicates Z: 13 18.858 2.080 0.574 0.871 0.917 0.583 CA 1.324 13 residues pruned to eliminate duplicates Z: 15 15.091 1.710 0.431 0.904 1.000 0.643 CA 1.174 15 residues pruned to eliminate duplicates Z: 13 12.905 1.699 0.545 0.886 1.000 0.750 CB 1.024 13 residues pruned to eliminate duplicates Z: 29 22.672 1.992 0.605 0.574 0.929 0.536 CB 1.344 29 residues pruned to eliminate duplicates Z: 13 11.623 1.610 0.517 0.798 0.917 0.833 CB 1.155 13 residues pruned to eliminate duplicates Z: 17 16.756 1.688 0.499 0.847 1.000 0.688 CA 1.229 16 residues pruned to eliminate duplicates Z: 51 22.144 2.003 0.316 0.533 0.840 0.520 CB 1.369 51 residues pruned to eliminate duplicates Z: 16 20.470 2.113 0.545 0.903 1.000 0.933 CA 1.154 16 residues pruned to eliminate duplicates 8 1.780 1.423 0.271 0.131 0.571 0.286 N 1.031 ? Z: 11 14.266 1.746 0.441 0.911 1.000 0.900 CB 1.271 12 residues pruned to eliminate duplicates Z: 16 15.936 1.911 0.587 0.476 1.000 0.667 CA 1.390 16 residues pruned to eliminate duplicates Z: 6 12.191 1.838 0.668 0.808 1.000 0.600 CA 1.360 6 residues pruned to eliminate duplicates Z: 6 6.047 1.851 0.402 0.580 0.800 0.600 CB 1.206 6 residues pruned to eliminate duplicates Z: 14 11.254 1.706 0.461 0.794 0.923 0.692 CB 1.048 14 residues pruned to eliminate duplicates Z: 13 14.316 1.907 0.543 0.851 0.917 0.583 CA 1.134 13 residues pruned to eliminate duplicates Z: 40 16.430 1.808 0.599 0.386 0.795 0.590 CB 1.293 40 residues pruned to eliminate duplicates Z: 12 15.853 1.903 0.512 0.915 0.909 0.909 CB 1.291 12 residues pruned to eliminate duplicates Z: 13 10.626 1.699 0.294 0.738 1.000 0.667 CA 1.128 13 residues pruned to eliminate duplicates Z: 15 18.672 2.056 0.673 0.665 0.857 0.571 CA 1.452 15 residues pruned to eliminate duplicates Z: 12 3.664 1.495 0.178 0.270 0.727 0.364 N 1.120 Z: 12 11.514 1.778 0.440 0.506 1.000 0.727 N 1.348 13 residues pruned to eliminate duplicates Z: 30 23.669 2.077 0.515 0.602 0.931 0.586 CB 1.362 30 residues pruned to eliminate duplicates Z: 56 27.743 1.966 0.521 0.485 0.891 0.600 CB 1.425 56 residues pruned to eliminate duplicates Z: 54 33.805 2.067 0.626 0.597 0.925 0.566 CA 1.361 54 residues pruned to eliminate duplicates Z: 25 24.540 2.029 0.630 0.609 0.917 0.792 CA 1.489 25 residues pruned to eliminate duplicates Z: 26 20.643 1.882 0.579 0.652 0.920 0.640 CA 1.310 26 residues pruned to eliminate duplicates Z: 25 20.275 2.024 0.500 0.572 0.875 0.500 CB 1.453 25 residues pruned to eliminate duplicates Z: 23 13.033 1.873 0.381 0.323 0.955 0.455 CA 1.368 23 residues pruned to eliminate duplicates Z: 17 17.368 1.734 0.590 0.833 0.938 0.688 CA 1.261 17 residues pruned to eliminate duplicates Z: 18 16.547 1.803 0.585 0.761 0.882 0.824 CB 1.261 18 residues pruned to eliminate duplicates Z: 27 19.146 2.004 0.649 0.588 0.962 0.577 CB 1.087 27 residues pruned to eliminate duplicates Z: 23 21.472 2.064 0.453 0.649 0.909 0.545 CB 1.461 23 residues pruned to eliminate duplicates Z: 9 4.537 1.655 0.134 0.355 0.875 0.750 CB 1.144 5 residues pruned to eliminate duplicates Z: 12 12.350 1.725 0.439 0.877 1.000 0.818 CB 1.089 12 residues pruned to eliminate duplicates Z: 7 9.682 1.929 0.439 0.744 1.000 0.667 CA 1.145 7 residues pruned to eliminate duplicates Z: 24 23.571 2.026 0.491 0.635 0.957 0.739 CB 1.498 24 residues pruned to eliminate duplicates Z: 12 18.402 1.862 0.768 0.885 0.909 0.818 CA 1.338 12 residues pruned to eliminate duplicates Z: 26 9.068 1.699 0.402 0.319 0.760 0.400 CB 1.223 26 residues pruned to eliminate duplicates Z: 13 22.722 1.992 0.682 0.889 1.000 0.667 CB 1.409 13 residues pruned to eliminate duplicates Z: 11 4.726 1.567 0.008 0.372 0.900 0.400 CB 1.206 Z: 7 4.840 1.471 0.432 0.725 0.667 0.500 CB 1.148 7 residues pruned to eliminate duplicates Z: 24 14.247 1.771 0.596 0.585 0.957 0.609 CB 1.013 24 residues pruned to eliminate duplicates Z: 12 7.426 1.775 0.360 0.466 0.818 0.455 CA 1.174 12 residues pruned to eliminate duplicates Z: 14 19.824 1.837 0.821 0.836 0.923 0.615 CA 1.333 14 residues pruned to eliminate duplicates Z: 13 31.478 2.106 0.937 0.895 1.000 0.583 CB 1.597 13 residues pruned to eliminate duplicates Z: 12 24.154 2.048 0.938 0.929 1.000 0.909 CA 1.284 12 residues pruned to eliminate duplicates Z: 9 4.115 1.552 0.240 0.226 0.875 0.500 CB 1.190 9 residues pruned to eliminate duplicates Z: 14 20.851 1.936 0.684 0.848 1.000 0.769 CA 1.316 14 residues pruned to eliminate duplicates 6 0.935 1.436 0.421 0.311 0.600 0.400 N 0.421 ? Z: 12 14.793 1.850 0.572 0.881 1.000 0.455 CA 1.111 12 residues pruned to eliminate duplicates Z: 7 3.778 1.526 0.574 0.524 1.000 0.667 CB 0.627 Z: 17 22.437 1.892 0.755 0.891 0.938 0.625 CA 1.296 17 residues pruned to eliminate duplicates Z: 6 4.949 1.448 0.646 0.638 1.000 0.800 CB 0.816 Z: 12 21.099 2.144 0.590 0.897 1.000 0.818 CA 1.336 12 residues pruned to eliminate duplicates Z: 9 13.178 1.857 0.504 0.628 1.000 0.875 CA 1.479 9 residues pruned to eliminate duplicates Z: 15 3.752 1.559 0.128 0.237 0.786 0.500 CB 0.984 15 residues pruned to eliminate duplicates 6 1.731 1.409 0.011 0.291 0.800 0.600 CA 0.859 ? Z: 38 25.646 1.990 0.541 0.575 0.919 0.703 CB 1.392 38 residues pruned to eliminate duplicates Z: 12 3.242 1.534 0.142 0.291 0.636 0.364 CB 1.109 12 residues pruned to eliminate duplicates Z: 11 7.111 1.802 0.628 0.383 0.700 0.400 CB 1.240 11 residues pruned to eliminate duplicates Z: 38 21.230 1.888 0.702 0.470 0.865 0.541 CA 1.295 38 residues pruned to eliminate duplicates Z: 15 7.275 1.673 0.293 0.346 0.929 0.643 CB 1.145 15 residues pruned to eliminate duplicates Z: 10 8.323 1.665 0.355 0.702 1.000 0.778 CA 1.023 10 residues pruned to eliminate duplicates Z: 12 18.152 2.142 0.071 0.907 1.000 0.727 CA 1.696 12 residues pruned to eliminate duplicates Z: 26 13.201 1.721 0.379 0.467 0.920 0.600 CB 1.250 12 residues pruned to eliminate duplicates Z: 16 14.550 1.889 0.179 0.869 1.000 0.733 CA 1.232 16 residues pruned to eliminate duplicates Z: 38 24.268 2.011 0.601 0.551 0.892 0.568 CA 1.323 38 residues pruned to eliminate duplicates Z: 16 14.592 1.646 0.404 0.884 1.000 0.400 CA 1.178 16 residues pruned to eliminate duplicates Z: 13 14.890 2.051 0.131 0.869 1.000 0.667 CA 1.354 13 residues pruned to eliminate duplicates Z: 15 9.531 1.896 0.510 0.403 0.857 0.500 CA 1.150 15 residues pruned to eliminate duplicates Z: 21 16.684 1.866 0.694 0.433 0.900 0.600 CB 1.405 21 residues pruned to eliminate duplicates Z: 13 13.296 1.826 0.420 0.857 0.917 0.750 CB 1.190 13 residues pruned to eliminate duplicates Z: 50 37.720 2.073 0.551 0.635 0.980 0.694 CA 1.508 50 residues pruned to eliminate duplicates Z: 13 23.763 2.021 0.762 0.898 1.000 0.833 CA 1.378 13 residues pruned to eliminate duplicates Z: 6 2.263 1.442 0.641 0.296 0.600 0.600 CB 0.896 Z: 12 21.225 2.067 0.886 0.819 1.000 0.636 CA 1.245 12 residues pruned to eliminate duplicates Z: 11 12.953 1.885 0.575 0.908 1.000 0.800 CA 0.980 11 residues pruned to eliminate duplicates Z: 12 5.655 1.481 0.494 0.376 0.818 0.545 CB 1.075 12 residues pruned to eliminate duplicates Z: 13 20.372 1.932 0.757 0.884 0.917 0.333 CA 1.366 13 residues pruned to eliminate duplicates Z: 15 11.388 1.947 0.427 0.431 0.857 0.643 CB 1.372 15 residues pruned to eliminate duplicates Z: 15 18.878 1.975 0.633 0.862 1.000 0.714 CA 1.149 15 residues pruned to eliminate duplicates Z: 42 20.523 1.947 0.372 0.489 0.902 0.585 CB 1.344 42 residues pruned to eliminate duplicates Z: 27 8.316 1.792 0.209 0.327 0.769 0.577 CB 1.183 52 residues pruned to eliminate duplicates Z: 18 19.651 1.860 0.645 0.855 0.941 0.647 CA 1.222 18 residues pruned to eliminate duplicates Z: 7 7.137 1.721 0.820 0.770 0.833 0.667 CA 0.879 7 residues pruned to eliminate duplicates Z: 8 3.175 1.443 0.871 0.205 0.714 0.286 CB 0.882 Z: 11 9.185 1.668 0.830 0.457 0.800 0.800 CB 1.243 6 residues pruned to eliminate duplicates Z: 15 19.167 1.717 0.670 0.866 1.000 0.500 CA 1.307 17 residues pruned to eliminate duplicates Z: 50 26.898 1.987 0.617 0.537 0.939 0.673 CB 1.229 50 residues pruned to eliminate duplicates Z: 33 25.202 1.959 0.510 0.544 0.969 0.656 CA 1.489 57 residues pruned to eliminate duplicates Z: 14 21.273 1.998 0.942 0.452 1.000 0.538 CA 1.597 14 residues pruned to eliminate duplicates Z: 11 11.516 1.842 0.460 0.811 0.900 0.600 CA 1.148 11 residues pruned to eliminate duplicates Z: 8 4.165 1.685 -0.115 0.433 0.857 0.714 CA 1.320 8 residues pruned to eliminate duplicates Z: 25 13.815 1.812 0.447 0.357 0.958 0.583 CB 1.310 25 residues pruned to eliminate duplicates Z: 10 9.608 1.835 0.828 0.826 0.889 0.889 CA 0.810 10 residues pruned to eliminate duplicates 6 1.226 1.044 0.284 0.381 0.800 0.400 O 0.580 ? Z: 28 22.108 2.058 0.605 0.504 0.963 0.704 CB 1.332 27 residues pruned to eliminate duplicates Z: 29 22.407 1.966 0.713 0.600 0.821 0.643 CB 1.392 29 residues pruned to eliminate duplicates Z: 15 21.080 1.986 1.156 0.766 0.857 0.571 CA 1.213 15 residues pruned to eliminate duplicates Z: 9 13.091 1.873 0.749 0.889 1.000 0.875 CB 1.017 9 residues pruned to eliminate duplicates Z: 12 22.177 2.098 0.906 0.917 0.909 0.364 CA 1.297 12 residues pruned to eliminate duplicates 6 1.490 1.316 -0.173 0.454 0.600 0.600 C 1.069 ? 6 1.954 1.484 0.027 0.478 0.800 0.800 CB 0.733 ? Z: 7 4.914 1.891 0.144 0.834 0.833 0.833 CB 0.835 7 residues pruned to eliminate duplicates Z: 33 21.958 1.978 0.356 0.553 0.969 0.562 CA 1.419 33 residues pruned to eliminate duplicates Z: 17 18.432 1.819 0.772 0.852 0.812 0.562 CB 1.301 17 residues pruned to eliminate duplicates Z: 37 25.182 1.984 0.584 0.500 0.972 0.500 CB 1.374 46 residues pruned to eliminate duplicates Z: 8 8.780 1.948 0.726 0.839 1.000 0.714 CB 0.738 8 residues pruned to eliminate duplicates Z: 13 3.284 1.578 0.405 0.331 0.667 0.417 CB 0.771 6 residues pruned to eliminate duplicates Z: 7 2.976 1.407 0.306 0.321 0.667 0.500 CA 1.209 Z: 7 8.248 1.491 0.814 0.659 1.000 0.667 CA 1.074 Z: 9 5.117 1.800 0.300 0.550 0.875 0.375 CA 0.841 9 residues pruned to eliminate duplicates Z: 39 26.604 1.935 0.476 0.643 0.921 0.474 CA 1.435 39 residues pruned to eliminate duplicates Z: 13 9.800 1.713 0.149 0.905 0.917 0.917 CA 1.116 13 residues pruned to eliminate duplicates Z: 27 20.587 1.785 0.847 0.588 0.923 0.615 CB 1.218 27 residues pruned to eliminate duplicates Z: 62 23.064 1.848 0.549 0.414 0.869 0.508 CB 1.300 62 residues pruned to eliminate duplicates Z: 14 24.652 2.036 0.684 0.878 0.923 0.692 CA 1.567 14 residues pruned to eliminate duplicates Z: 7 12.840 1.904 0.453 0.803 1.000 0.833 CA 1.454 Z: 7 7.584 1.871 0.963 0.493 0.667 0.500 CB 1.274 5 residues pruned to eliminate duplicates Z: 14 13.213 1.901 0.499 0.415 1.000 0.769 CA 1.405 13 residues pruned to eliminate duplicates Z: 14 7.940 1.724 0.279 0.436 0.769 0.385 CB 1.388 14 residues pruned to eliminate duplicates Z: 15 21.924 1.909 0.868 0.891 1.000 0.500 CA 1.182 16 residues pruned to eliminate duplicates Z: 7 5.845 1.649 0.803 0.353 1.000 0.667 CB 0.940 7 residues pruned to eliminate duplicates Z: 15 20.541 1.975 0.425 0.855 0.929 0.857 CA 1.550 15 residues pruned to eliminate duplicates Z: 14 21.880 2.119 0.426 0.835 1.000 0.462 CA 1.505 14 residues pruned to eliminate duplicates Z: 24 7.513 1.619 0.465 0.285 0.739 0.478 CA 1.137 24 residues pruned to eliminate duplicates Z: 17 23.255 1.893 0.844 0.837 1.000 0.688 CB 1.245 19 residues pruned to eliminate duplicates Z: 11 8.779 1.724 0.410 0.679 0.800 0.600 CB 1.211 5 residues pruned to eliminate duplicates Z: 10 5.566 1.080 0.469 0.736 1.000 0.556 CB 0.946 Z: 13 10.411 1.654 0.556 0.862 0.917 0.583 CA 0.935 13 residues pruned to eliminate duplicates Z: 6 2.333 1.456 0.171 0.350 0.600 0.200 CB 1.200 Z: 51 33.287 2.025 0.815 0.523 0.920 0.560 CB 1.361 51 residues pruned to eliminate duplicates Z: 6 3.178 1.481 0.651 0.306 0.800 0.400 N 0.901 Z: 48 17.070 1.926 0.279 0.376 0.851 0.532 CB 1.355 48 residues pruned to eliminate duplicates Z: 15 19.602 1.814 0.690 0.785 1.000 0.643 CA 1.329 15 residues pruned to eliminate duplicates Z: 6 7.032 1.682 0.426 0.693 1.000 0.600 CB 1.099 6 residues pruned to eliminate duplicates Z: 9 6.734 1.423 0.615 0.816 1.000 0.750 CB 0.787 9 residues pruned to eliminate duplicates Z: 7 4.873 1.668 0.666 0.520 0.667 0.667 CA 1.052 7 residues pruned to eliminate duplicates Z: 22 8.167 1.747 0.400 0.247 0.857 0.381 CA 1.138 22 residues pruned to eliminate duplicates Z: 12 22.486 2.166 0.575 0.911 0.909 0.727 CB 1.550 12 residues pruned to eliminate duplicates Z: 12 16.145 1.801 0.612 0.892 0.909 0.818 CA 1.325 12 residues pruned to eliminate duplicates Z: 10 6.388 1.597 0.418 0.444 0.889 0.556 CA 1.121 Z: 42 20.643 1.939 0.399 0.428 0.927 0.537 CA 1.382 42 residues pruned to eliminate duplicates Z: 13 13.932 1.968 0.229 0.891 1.000 0.750 CA 1.196 13 residues pruned to eliminate duplicates 6 1.865 1.447 0.251 0.206 0.800 0.400 N 0.815 ? Z: 16 11.829 1.851 0.665 0.240 0.933 0.800 CA 1.435 16 residues pruned to eliminate duplicates Z: 6 5.322 1.466 0.690 0.605 1.000 0.600 CB 0.870 6 residues pruned to eliminate duplicates Z: 14 11.674 1.802 0.797 0.703 0.846 0.462 CB 0.983 14 residues pruned to eliminate duplicates Z: 6 2.223 1.481 0.299 0.577 1.000 0.600 CB 0.480 Z: 6 2.841 1.350 0.686 0.307 0.800 0.600 CB 0.864 Z: 9 14.754 2.081 1.002 0.916 1.000 0.750 CA 0.884 9 residues pruned to eliminate duplicates Z: 19 14.169 1.850 0.891 0.361 0.722 0.556 CB 1.535 19 residues pruned to eliminate duplicates Z: 11 14.334 1.954 0.762 0.854 1.000 0.600 CA 0.972 11 residues pruned to eliminate duplicates Z: 19 9.548 1.713 0.671 0.372 0.778 0.556 CA 1.159 19 residues pruned to eliminate duplicates Z: 11 11.006 1.665 0.685 0.848 1.000 0.900 CA 0.920 11 residues pruned to eliminate duplicates 6 1.762 1.384 0.880 0.450 0.600 0.600 CB 0.531 ? Z: 9 10.800 1.852 0.742 0.635 0.875 0.875 CA 1.192 Z: 30 25.840 1.997 0.540 0.654 1.000 0.655 CA 1.352 30 residues pruned to eliminate duplicates Z: 8 2.659 1.546 0.286 0.434 0.714 0.714 CB 0.758 Z: 14 14.678 1.806 0.844 0.833 0.769 0.385 CB 1.192 14 residues pruned to eliminate duplicates Z: 15 21.236 1.714 0.787 0.919 1.000 0.429 CA 1.307 15 residues pruned to eliminate duplicates Z: 6 5.598 1.436 0.462 0.792 1.000 0.800 CB 0.923 Z: 6 4.343 1.443 0.250 0.629 0.800 0.600 O 1.192 Z: 20 22.169 1.896 0.651 0.725 0.947 0.737 CA 1.401 20 residues pruned to eliminate duplicates Z: 17 5.069 1.567 0.321 0.371 0.812 0.312 CB 0.865 17 residues pruned to eliminate duplicates Z: 6 2.347 1.657 -0.095 0.506 1.000 0.600 CB 0.696 Z: 12 13.950 1.679 0.486 0.839 1.000 0.455 CA 1.258 12 residues pruned to eliminate duplicates Z: 7 13.017 1.810 0.838 0.698 1.000 0.500 N 1.333 7 residues pruned to eliminate duplicates Z: 10 14.539 1.933 0.556 0.909 0.889 0.778 CB 1.286 10 residues pruned to eliminate duplicates Z: 9 2.312 1.573 0.021 0.259 0.625 0.500 CB 1.072 9 residues pruned to eliminate duplicates Z: 9 10.608 1.799 1.032 0.525 0.875 0.750 CA 1.144 9 residues pruned to eliminate duplicates Z: 11 3.524 1.487 -0.004 0.538 1.000 0.600 CB 0.725 7 1.989 1.355 0.420 0.249 0.667 0.500 N 0.846 ? Z: 18 11.163 1.688 0.718 0.542 0.824 0.294 CB 1.087 18 residues pruned to eliminate duplicates Z: 10 11.422 1.829 0.764 0.882 1.000 0.667 CA 0.854 10 residues pruned to eliminate duplicates Z: 32 25.397 2.013 0.655 0.521 0.968 0.677 CA 1.386 32 residues pruned to eliminate duplicates Z: 8 3.446 1.394 0.308 0.602 0.857 0.286 CB 0.756 Z: 17 8.368 1.752 0.336 0.355 0.750 0.562 CB 1.394 17 residues pruned to eliminate duplicates Z: 17 12.572 1.725 0.517 0.693 0.812 0.375 CA 1.239 17 residues pruned to eliminate duplicates 7 0.685 1.259 0.270 0.476 0.667 0.667 CB 0.269 ? Z: 17 14.391 1.851 0.723 0.359 0.938 0.875 CA 1.400 17 residues pruned to eliminate duplicates Z: 13 22.382 2.083 0.970 0.882 0.833 0.500 CB 1.367 13 residues pruned to eliminate duplicates Z: 18 11.653 1.880 0.326 0.360 0.882 0.529 CA 1.494 Z: 7 3.528 1.387 0.212 0.480 0.833 0.667 CB 1.049 Z: 6 5.221 1.614 -0.008 0.771 1.000 1.000 CB 1.148 Z: 11 8.827 1.602 0.773 0.750 0.900 0.600 CA 0.873 11 residues pruned to eliminate duplicates Z: 14 20.024 1.925 0.655 0.898 1.000 0.769 CA 1.247 14 residues pruned to eliminate duplicates Z: 6 3.058 1.519 0.607 0.514 0.800 0.800 CB 0.690 Z: 12 19.601 1.978 0.750 0.858 0.909 0.818 CA 1.382 12 residues pruned to eliminate duplicates Z: 13 18.007 1.981 0.616 0.865 1.000 0.917 CA 1.189 13 residues pruned to eliminate duplicates 6 1.698 1.423 -0.074 0.280 0.800 0.200 CB 0.923 ? Z: 12 5.788 1.468 0.496 0.787 0.727 0.455 CB 0.849 12 residues pruned to eliminate duplicates Z: 8 4.295 1.371 0.244 0.617 0.857 0.571 CA 0.994 8 residues pruned to eliminate duplicates Z: 9 6.844 1.597 0.349 0.633 1.000 0.875 CB 0.992 Z: 6 4.330 1.439 0.360 0.625 1.000 0.600 CA 0.880 Z: 14 13.463 1.855 0.578 0.428 1.000 0.615 CA 1.375 14 residues pruned to eliminate duplicates Z: 11 7.096 1.798 0.541 0.794 0.800 0.500 CB 0.782 11 residues pruned to eliminate duplicates Z: 6 2.035 1.439 0.248 0.435 0.600 0.600 CB 0.903 Z: 9 3.931 1.536 0.090 0.486 0.750 0.625 CB 1.122 9 residues pruned to eliminate duplicates 7 1.952 1.438 0.195 0.374 0.500 0.333 CB 1.061 ? Z: 14 13.967 1.570 0.808 0.806 1.000 0.769 CB 1.045 14 residues pruned to eliminate duplicates Z: 6 3.631 1.660 0.262 0.769 0.600 0.400 CB 1.018 6 residues pruned to eliminate duplicates Z: 7 2.873 1.564 0.580 0.538 0.833 0.500 CB 0.549 Z: 6 2.278 1.316 0.678 0.300 0.800 0.600 CB 0.721 Z: 10 2.514 1.347 0.500 0.275 0.667 0.556 CB 0.802 Z: 29 24.381 1.952 0.733 0.615 0.929 0.643 CA 1.315 29 residues pruned to eliminate duplicates Z: 7 2.470 1.562 -0.297 0.355 1.000 0.500 CB 1.075 Z: 8 7.561 1.784 0.326 0.839 1.000 0.857 CB 0.902 8 residues pruned to eliminate duplicates Z: 14 21.623 2.007 0.660 0.870 0.923 0.692 CA 1.423 14 residues pruned to eliminate duplicates Z: 10 9.983 1.776 0.434 0.474 0.889 0.556 CA 1.510 9 residues pruned to eliminate duplicates Z: 12 18.228 1.931 0.881 0.865 1.000 0.909 CA 1.108 12 residues pruned to eliminate duplicates Z: 27 18.470 1.782 0.586 0.622 0.923 0.654 CA 1.237 24 residues pruned to eliminate duplicates Z: 11 15.404 1.956 0.381 0.843 1.000 0.800 CB 1.342 11 residues pruned to eliminate duplicates Z: 7 4.460 1.545 0.107 0.833 0.833 0.500 CB 0.959 7 residues pruned to eliminate duplicates Z: 8 4.485 1.492 0.708 0.395 0.714 0.571 O 1.040 Z: 15 16.289 1.892 0.541 0.845 0.929 0.643 CA 1.196 15 residues pruned to eliminate duplicates Z: 30 17.060 1.911 0.528 0.516 0.931 0.655 CB 1.147 30 residues pruned to eliminate duplicates Z: 19 6.113 1.545 0.236 0.353 0.833 0.500 CB 1.062 19 residues pruned to eliminate duplicates Z: 39 26.846 2.045 0.551 0.612 0.895 0.579 CA 1.379 39 residues pruned to eliminate duplicates Z: 65 29.159 1.968 0.559 0.519 0.859 0.562 CB 1.356 65 residues pruned to eliminate duplicates Z: 12 10.394 1.663 0.351 0.866 0.818 0.364 CA 1.249 12 residues pruned to eliminate duplicates Z: 21 17.458 1.886 0.570 0.571 0.900 0.600 CB 1.367 25 residues pruned to eliminate duplicates Z: 9 6.739 1.742 0.092 0.816 1.000 0.750 CA 0.951 9 residues pruned to eliminate duplicates Z: 13 5.871 1.718 0.646 0.296 0.667 0.417 CB 1.130 13 residues pruned to eliminate duplicates Z: 27 20.333 1.914 0.855 0.552 0.846 0.654 CA 1.262 27 residues pruned to eliminate duplicates Z: 11 10.454 1.753 0.509 0.799 0.900 0.800 CA 1.068 11 residues pruned to eliminate duplicates Z: 8 9.089 1.887 0.616 0.576 1.000 1.000 CA 1.047 7 residues pruned to eliminate duplicates Z: 13 16.095 2.005 0.261 0.812 1.000 0.750 CA 1.400 13 residues pruned to eliminate duplicates Z: 11 8.469 1.676 0.332 0.426 0.900 0.500 CB 1.439 10 residues pruned to eliminate duplicates Z: 32 31.494 2.137 0.613 0.615 1.000 0.677 CA 1.472 33 residues pruned to eliminate duplicates Z: 9 2.418 1.519 0.323 0.275 0.625 0.500 CB 0.878 Z: 55 20.222 1.811 0.393 0.434 0.944 0.537 CB 1.236 55 residues pruned to eliminate duplicates Z: 12 7.623 1.775 0.425 0.840 0.909 0.364 CB 0.746 12 residues pruned to eliminate duplicates Z: 14 24.158 2.049 0.584 0.904 0.923 0.692 CA 1.592 14 residues pruned to eliminate duplicates Z: 9 12.764 1.830 0.683 0.797 1.000 0.875 CA 1.130 9 residues pruned to eliminate duplicates Z: 13 7.414 1.451 0.368 0.875 1.000 0.667 CB 0.784 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 6.492 1.653 0.829 0.856 0.857 0.286 CB 0.698 8 residues pruned to eliminate duplicates Z: 10 7.265 1.556 0.850 0.576 0.889 0.444 CB 0.880 10 residues pruned to eliminate duplicates Z: 6 10.453 1.931 1.051 0.873 1.000 0.600 CB 0.860 6 residues pruned to eliminate duplicates Z: 8 8.446 1.653 0.631 0.765 0.857 0.429 CB 1.092 8 residues pruned to eliminate duplicates Z: 24 20.796 1.898 0.398 0.685 1.000 0.696 CB 1.380 24 residues pruned to eliminate duplicates Z: 28 19.222 1.837 0.558 0.606 0.889 0.593 CB 1.314 28 residues pruned to eliminate duplicates Z: 20 20.383 1.973 0.485 0.711 1.000 0.684 CA 1.318 20 residues pruned to eliminate duplicates Z: 24 23.537 1.914 0.635 0.635 1.000 0.565 CB 1.382 24 residues pruned to eliminate duplicates Z: 6 5.088 1.740 0.238 0.406 1.000 0.600 CA 1.166 6 residues pruned to eliminate duplicates Z: 23 17.655 1.926 0.413 0.633 0.909 0.636 CA 1.343 23 residues pruned to eliminate duplicates Z: 23 18.283 1.912 0.353 0.657 1.000 0.727 CB 1.301 23 residues pruned to eliminate duplicates Z: 22 17.366 1.863 0.398 0.662 0.905 0.619 CA 1.383 22 residues pruned to eliminate duplicates Z: 23 17.148 1.937 0.224 0.670 0.955 0.727 CB 1.381 23 residues pruned to eliminate duplicates Z: 58 28.396 1.972 0.505 0.542 0.895 0.649 CB 1.360 58 residues pruned to eliminate duplicates Z: 23 18.238 1.917 0.301 0.651 0.955 0.727 CB 1.419 23 residues pruned to eliminate duplicates Z: 26 18.971 1.875 0.330 0.647 0.960 0.680 CA 1.382 26 residues pruned to eliminate duplicates Z: 25 19.159 1.873 0.477 0.637 0.917 0.667 CB 1.356 25 residues pruned to eliminate duplicates Z: 15 18.750 1.870 0.468 0.864 1.000 0.786 CA 1.338 15 residues pruned to eliminate duplicates Z: 22 19.274 1.973 0.384 0.666 1.000 0.619 CB 1.321 22 residues pruned to eliminate duplicates Z: 24 15.902 1.897 0.332 0.611 0.913 0.565 CB 1.294 24 residues pruned to eliminate duplicates Z: 25 17.981 1.859 0.377 0.606 0.917 0.625 CA 1.415 25 residues pruned to eliminate duplicates Z: 75 33.496 1.974 0.529 0.559 0.892 0.527 CB 1.366 75 residues pruned to eliminate duplicates Z: 26 18.201 1.860 0.524 0.590 0.840 0.600 CB 1.402 26 residues pruned to eliminate duplicates Z: 9 6.495 1.615 0.266 0.425 1.000 0.625 N 1.214 8 residues pruned to eliminate duplicates Z: 8 5.326 1.746 0.071 0.409 0.857 0.286 CA 1.382 7 residues pruned to eliminate duplicates Z: 7 6.824 1.792 0.350 0.475 1.000 0.500 CA 1.181 7 residues pruned to eliminate duplicates Z: 8 6.865 1.711 0.475 0.325 1.000 0.286 N 1.246 8 residues pruned to eliminate duplicates Z: 6 7.576 1.718 0.806 0.743 0.800 0.600 CA 1.099 8 residues pruned to eliminate duplicates Z: 6 6.658 1.742 0.320 0.800 1.000 0.800 CA 0.996 6 residues pruned to eliminate duplicates Z: 12 5.051 1.826 0.150 0.529 0.727 0.545 CB 0.968 13 residues pruned to eliminate duplicates Z: 7 7.090 1.987 0.336 0.758 0.833 0.667 CB 1.040 7 residues pruned to eliminate duplicates Z: 8 5.151 1.835 0.241 0.700 0.857 0.571 CA 0.831 8 residues pruned to eliminate duplicates Z: 8 5.700 1.910 0.068 0.709 0.857 0.714 CB 1.019 8 residues pruned to eliminate duplicates Z: 8 6.698 1.887 0.336 0.657 0.857 0.714 CA 1.013 8 residues pruned to eliminate duplicates Z: 16 8.480 1.609 0.498 0.487 0.867 0.467 CB 1.062 15 residues pruned to eliminate duplicates Z: 6 5.862 1.645 1.140 0.355 1.000 0.800 CB 0.871 Z: 14 13.630 1.839 0.482 0.683 0.923 0.769 CA 1.270 14 residues pruned to eliminate duplicates Z: 13 11.279 1.879 0.398 0.584 1.000 0.667 CB 1.143 13 residues pruned to eliminate duplicates Z: 21 13.874 1.805 0.605 0.559 0.800 0.650 CB 1.264 11 residues pruned to eliminate duplicates Z: 12 12.345 1.756 0.641 0.808 0.909 0.818 CB 1.086 12 residues pruned to eliminate duplicates Z: 19 14.078 1.809 0.659 0.607 0.833 0.722 CB 1.198 32 residues pruned to eliminate duplicates Z: 13 13.955 1.660 0.493 0.871 1.000 0.917 CA 1.186 13 residues pruned to eliminate duplicates Z: 12 15.578 1.938 0.676 0.671 1.000 0.727 CB 1.235 12 residues pruned to eliminate duplicates Z: 13 13.121 1.829 0.592 0.609 0.917 0.833 CB 1.279 13 residues pruned to eliminate duplicates Z: 13 11.193 1.860 0.420 0.650 0.917 0.833 CB 1.161 13 residues pruned to eliminate duplicates Z: 13 13.754 1.867 0.592 0.630 1.000 0.667 CB 1.182 13 residues pruned to eliminate duplicates Z: 13 12.267 1.824 0.492 0.702 0.917 0.583 CB 1.181 13 residues pruned to eliminate duplicates Z: 14 14.670 1.822 0.548 0.730 1.000 0.846 CB 1.173 14 residues pruned to eliminate duplicates Z: 37 20.580 1.911 0.682 0.439 0.806 0.611 CB 1.412 37 residues pruned to eliminate duplicates Z: 14 6.831 1.861 0.175 0.498 0.846 0.615 CB 1.026 14 residues pruned to eliminate duplicates Z: 18 8.633 1.776 0.243 0.492 0.824 0.529 CB 1.161 17 residues pruned to eliminate duplicates Z: 11 7.435 1.945 0.102 0.613 0.900 0.600 CB 1.095 11 residues pruned to eliminate duplicates Z: 16 10.314 1.822 0.285 0.543 0.867 0.600 CB 1.258 17 residues pruned to eliminate duplicates Z: 9 10.445 1.971 0.232 0.825 1.000 0.875 CB 1.148 9 residues pruned to eliminate duplicates Z: 11 12.004 1.827 0.555 0.574 0.900 0.400 CB 1.382 11 residues pruned to eliminate duplicates Z: 34 14.011 1.818 0.686 0.376 0.758 0.485 CB 1.198 33 residues pruned to eliminate duplicates Z: 9 8.186 1.919 0.203 0.758 0.875 0.875 CB 1.139 9 residues pruned to eliminate duplicates Z: 20 10.720 1.701 0.404 0.462 0.789 0.474 CB 1.356 20 residues pruned to eliminate duplicates Z: 15 7.627 1.796 0.257 0.427 0.857 0.643 CB 1.136 15 residues pruned to eliminate duplicates Z: 40 17.789 1.839 0.587 0.427 0.821 0.564 CB 1.284 40 residues pruned to eliminate duplicates Z: 18 8.361 1.720 0.487 0.347 0.824 0.471 CB 1.137 18 residues pruned to eliminate duplicates Z: 20 10.423 1.771 0.326 0.438 0.842 0.474 CB 1.289 20 residues pruned to eliminate duplicates Z: 13 12.621 2.009 0.936 0.261 0.750 0.417 CB 1.640 13 residues pruned to eliminate duplicates Z: 28 11.429 1.833 0.572 0.306 0.741 0.444 CB 1.278 28 residues pruned to eliminate duplicates Z: 15 15.160 1.894 1.083 0.361 0.786 0.429 CB 1.519 15 residues pruned to eliminate duplicates Z: 23 25.515 1.931 1.036 0.467 0.955 0.545 CA 1.499 23 residues pruned to eliminate duplicates Z: 7 8.146 1.870 0.934 0.530 0.667 0.333 CA 1.340 7 residues pruned to eliminate duplicates Z: 22 14.704 1.874 0.813 0.337 0.810 0.429 CB 1.393 22 residues pruned to eliminate duplicates Z: 48 16.001 1.784 0.489 0.378 0.745 0.489 CA 1.343 50 residues pruned to eliminate duplicates Z: 7 8.842 1.644 0.815 0.570 0.833 0.500 CB 1.356 7 residues pruned to eliminate duplicates Z: 19 18.422 1.999 0.896 0.352 0.944 0.500 CB 1.423 19 residues pruned to eliminate duplicates Z: 20 12.459 1.832 0.848 0.313 0.789 0.421 CB 1.315 20 residues pruned to eliminate duplicates Z: 23 17.352 1.929 0.698 0.352 0.955 0.455 CA 1.389 30 residues pruned to eliminate duplicates Z: 24 19.801 1.884 0.821 0.371 0.957 0.565 CB 1.444 24 residues pruned to eliminate duplicates Z: 17 16.192 1.962 0.889 0.323 0.938 0.375 CB 1.415 17 residues pruned to eliminate duplicates Z: 19 15.074 1.905 0.845 0.341 0.889 0.500 CB 1.352 19 residues pruned to eliminate duplicates Z: 23 18.850 1.926 0.832 0.437 0.864 0.591 CA 1.407 23 residues pruned to eliminate duplicates Z: 7 2.772 1.589 0.590 0.317 0.833 0.500 CA 0.658 7 residues pruned to eliminate duplicates Z: 23 19.262 1.922 0.853 0.407 0.864 0.500 CB 1.472 23 residues pruned to eliminate duplicates Z: 24 18.284 1.902 0.755 0.362 0.913 0.522 CB 1.452 24 residues pruned to eliminate duplicates Z: 23 24.063 1.966 0.982 0.417 0.955 0.591 CB 1.504 23 residues pruned to eliminate duplicates Z: 46 33.178 1.950 0.730 0.564 0.956 0.622 CB 1.443 44 residues pruned to eliminate duplicates Z: 16 25.425 1.971 0.701 0.819 0.933 0.533 CA 1.591 16 residues pruned to eliminate duplicates Z: 41 35.863 2.075 0.734 0.613 0.950 0.650 CB 1.491 43 residues pruned to eliminate duplicates Z: 18 22.973 1.858 0.732 0.845 1.000 0.588 CA 1.287 17 residues pruned to eliminate duplicates Z: 17 26.804 1.911 0.800 0.837 1.000 0.688 CA 1.457 17 residues pruned to eliminate duplicates Z: 16 28.087 2.087 0.668 0.801 1.000 0.400 CA 1.601 16 residues pruned to eliminate duplicates Z: 16 26.134 1.992 0.801 0.879 0.933 0.333 CA 1.461 16 residues pruned to eliminate duplicates Z: 20 20.803 1.809 0.721 0.647 1.000 0.789 CA 1.337 20 residues pruned to eliminate duplicates Z: 20 21.593 1.969 0.665 0.656 0.895 0.421 CA 1.461 20 residues pruned to eliminate duplicates Z: 41 26.632 1.961 0.616 0.544 0.925 0.400 CB 1.376 41 residues pruned to eliminate duplicates Z: 18 23.866 1.974 0.784 0.740 0.882 0.353 CA 1.502 19 residues pruned to eliminate duplicates Z: 13 28.570 2.123 0.725 0.935 1.000 0.417 CA 1.569 13 residues pruned to eliminate duplicates Z: 19 25.361 2.017 0.824 0.666 0.944 0.444 CA 1.475 18 residues pruned to eliminate duplicates Z: 16 23.959 2.009 0.708 0.786 0.933 0.400 CA 1.502 16 residues pruned to eliminate duplicates Z: 45 32.998 1.997 0.653 0.599 0.977 0.386 CA 1.403 48 residues pruned to eliminate duplicates Z: 17 22.118 2.032 0.766 0.708 0.812 0.312 CA 1.570 17 residues pruned to eliminate duplicates Z: 41 37.637 2.052 0.759 0.629 1.000 0.400 CA 1.461 41 residues pruned to eliminate duplicates Z: 50 32.925 1.997 0.710 0.589 0.898 0.469 CA 1.409 50 residues pruned to eliminate duplicates Z: 33 27.202 2.039 0.698 0.575 0.875 0.438 CA 1.477 33 residues pruned to eliminate duplicates Z: 28 25.416 2.017 0.792 0.502 0.926 0.519 CA 1.458 28 residues pruned to eliminate duplicates Z: 37 23.297 1.957 0.635 0.507 0.889 0.500 CA 1.356 37 residues pruned to eliminate duplicates Z: 31 22.828 1.945 0.832 0.476 0.933 0.467 CA 1.284 31 residues pruned to eliminate duplicates Z: 33 23.465 1.984 0.654 0.512 0.906 0.406 CA 1.378 33 residues pruned to eliminate duplicates Z: 28 23.720 2.030 0.778 0.461 0.889 0.481 CB 1.481 28 residues pruned to eliminate duplicates Z: 29 22.767 1.991 0.766 0.496 0.857 0.464 CB 1.434 29 residues pruned to eliminate duplicates Z: 22 16.693 1.936 0.464 0.417 0.952 0.476 CA 1.472 22 residues pruned to eliminate duplicates Z: 42 36.907 2.028 0.941 0.629 0.878 0.390 CB 1.477 42 residues pruned to eliminate duplicates Z: 31 26.392 1.956 0.889 0.501 0.933 0.600 CB 1.396 31 residues pruned to eliminate duplicates Z: 24 12.749 1.812 0.821 0.449 0.783 0.435 CB 1.085 24 residues pruned to eliminate duplicates Z: 63 32.944 1.928 0.741 0.528 0.887 0.500 CA 1.367 63 residues pruned to eliminate duplicates Z: 43 23.067 1.904 0.798 0.429 0.929 0.452 CA 1.205 43 residues pruned to eliminate duplicates Z: 38 31.663 2.034 0.811 0.560 0.892 0.486 CA 1.495 38 residues pruned to eliminate duplicates Z: 19 14.365 1.897 0.718 0.553 0.889 0.444 CB 1.110 19 residues pruned to eliminate duplicates Z: 45 28.240 1.966 0.739 0.562 0.818 0.455 CB 1.433 45 residues pruned to eliminate duplicates Z: 40 33.091 2.053 0.774 0.624 0.846 0.436 CA 1.529 40 residues pruned to eliminate duplicates Z: 10 21.688 1.978 1.095 0.804 1.000 0.556 CB 1.338 10 residues pruned to eliminate duplicates Z: 10 23.092 1.966 1.175 0.808 1.000 0.778 CB 1.376 10 residues pruned to eliminate duplicates Z: 42 32.825 2.012 0.754 0.613 0.878 0.512 CA 1.486 42 residues pruned to eliminate duplicates Z: 41 28.989 1.964 0.727 0.592 0.850 0.575 CA 1.456 41 residues pruned to eliminate duplicates Z: 38 24.131 1.907 0.711 0.511 0.892 0.649 CA 1.349 38 residues pruned to eliminate duplicates Z: 36 25.931 1.988 0.715 0.524 0.914 0.629 CA 1.374 36 residues pruned to eliminate duplicates Z: 63 35.063 2.017 0.740 0.502 0.903 0.726 CA 1.401 73 residues pruned to eliminate duplicates 6 0.606 1.174 0.287 0.201 0.800 0.400 N 0.320 ? Z: 6 3.430 1.746 0.202 0.371 0.800 0.400 CA 1.049 6 residues pruned to eliminate duplicates Z: 12 5.897 1.794 0.534 0.378 0.636 0.182 CB 1.155 12 residues pruned to eliminate duplicates Z: 20 14.221 1.881 0.747 0.527 0.842 0.421 CA 1.148 20 residues pruned to eliminate duplicates Z: 16 4.317 1.740 0.400 0.356 0.800 0.267 CA 0.668 16 residues pruned to eliminate duplicates Z: 39 21.880 1.924 0.641 0.459 0.895 0.632 CA 1.310 39 residues pruned to eliminate duplicates Z: 33 23.491 1.963 0.758 0.456 0.875 0.656 CA 1.439 31 residues pruned to eliminate duplicates Z: 16 15.179 1.948 0.677 0.692 0.800 0.667 CA 1.257 16 residues pruned to eliminate duplicates Z: 47 22.036 1.899 0.701 0.509 0.826 0.413 CA 1.207 47 residues pruned to eliminate duplicates Z: 32 24.268 1.980 0.898 0.455 0.903 0.677 CA 1.345 31 residues pruned to eliminate duplicates Z: 13 21.201 2.008 0.910 0.826 1.000 0.917 CA 1.204 13 residues pruned to eliminate duplicates Z: 44 20.263 1.876 0.739 0.392 0.860 0.651 CA 1.235 44 residues pruned to eliminate duplicates Z: 40 24.075 1.926 0.762 0.463 0.897 0.667 CA 1.315 40 residues pruned to eliminate duplicates Z: 28 23.250 2.054 0.782 0.467 0.926 0.741 CA 1.365 28 residues pruned to eliminate duplicates Z: 32 23.006 1.963 0.777 0.466 0.903 0.645 CA 1.358 32 residues pruned to eliminate duplicates Z: 27 25.309 2.075 0.820 0.488 0.962 0.769 CA 1.384 27 residues pruned to eliminate duplicates Z: 32 20.982 1.940 0.777 0.425 0.871 0.645 CA 1.356 32 residues pruned to eliminate duplicates Z: 30 22.206 1.961 0.773 0.473 0.931 0.724 CA 1.310 30 residues pruned to eliminate duplicates Z: 47 29.504 1.999 0.781 0.517 0.913 0.652 CA 1.316 47 residues pruned to eliminate duplicates Z: 26 23.080 2.010 0.905 0.492 0.920 0.840 CA 1.320 26 residues pruned to eliminate duplicates Z: 34 21.683 2.013 0.752 0.470 0.909 0.697 CA 1.213 34 residues pruned to eliminate duplicates Z: 41 22.716 1.949 0.788 0.435 0.850 0.525 CA 1.297 41 residues pruned to eliminate duplicates Z: 33 22.942 1.923 0.785 0.461 0.906 0.688 CA 1.357 33 residues pruned to eliminate duplicates Z: 38 21.734 1.946 0.740 0.433 0.919 0.622 CA 1.231 38 residues pruned to eliminate duplicates Z: 35 22.656 1.988 0.808 0.491 0.912 0.676 CA 1.196 35 residues pruned to eliminate duplicates Z: 41 22.260 1.926 0.798 0.440 0.875 0.750 CA 1.236 41 residues pruned to eliminate duplicates Z: 36 22.183 1.960 0.774 0.448 0.914 0.657 CA 1.244 36 residues pruned to eliminate duplicates Z: 35 19.046 1.921 0.733 0.449 0.853 0.706 CA 1.212 35 residues pruned to eliminate duplicates Z: 40 23.780 1.916 0.832 0.436 0.897 0.615 CA 1.291 40 residues pruned to eliminate duplicates Z: 33 19.366 1.916 0.740 0.427 0.875 0.750 CA 1.266 33 residues pruned to eliminate duplicates Z: 19 12.102 1.846 0.771 0.225 0.889 0.556 CB 1.355 19 residues pruned to eliminate duplicates Z: 29 23.170 2.056 0.938 0.463 0.893 0.750 CA 1.277 29 residues pruned to eliminate duplicates Z: 51 30.343 1.962 0.847 0.492 0.900 0.660 CA 1.326 49 residues pruned to eliminate duplicates Z: 10 5.139 1.439 0.435 0.497 0.889 0.556 CB 0.935 10 residues pruned to eliminate duplicates Z: 11 4.880 1.575 0.472 0.476 0.800 0.400 CB 0.853 11 residues pruned to eliminate duplicates Z: 25 11.173 1.706 0.440 0.442 0.875 0.458 CB 1.126 23 residues pruned to eliminate duplicates Z: 11 8.041 1.564 0.405 0.873 1.000 0.500 CB 0.843 13 residues pruned to eliminate duplicates Z: 13 7.630 1.446 0.555 0.852 1.000 0.667 CB 0.724 10 residues pruned to eliminate duplicates Z: 14 6.598 1.426 0.583 0.780 0.923 0.615 CB 0.686 14 residues pruned to eliminate duplicates Z: 10 6.845 1.842 0.209 0.623 0.667 0.667 CA 1.368 10 residues pruned to eliminate duplicates Z: 10 6.923 1.817 0.358 0.477 0.667 0.667 CA 1.434 10 residues pruned to eliminate duplicates Z: 11 8.393 1.776 0.647 0.563 0.800 0.500 CA 1.067 11 residues pruned to eliminate duplicates Z: 10 7.526 1.865 0.440 0.622 0.667 0.444 CA 1.249 10 residues pruned to eliminate duplicates Z: 12 7.939 1.706 0.575 0.508 0.727 0.636 CA 1.215 12 residues pruned to eliminate duplicates Z: 21 10.924 1.796 0.409 0.400 0.800 0.500 CA 1.340 27 residues pruned to eliminate duplicates Z: 8 7.870 1.819 0.599 0.596 0.857 0.571 CA 1.089 8 residues pruned to eliminate duplicates Z: 20 11.625 1.812 0.439 0.390 0.789 0.526 CB 1.456 20 residues pruned to eliminate duplicates Z: 21 8.276 1.750 0.312 0.319 0.750 0.500 CB 1.313 21 residues pruned to eliminate duplicates Z: 11 7.245 1.771 0.319 0.464 0.900 0.500 CB 1.131 11 residues pruned to eliminate duplicates Z: 9 10.033 1.940 0.395 0.515 0.875 0.750 CB 1.476 9 residues pruned to eliminate duplicates Z: 11 5.724 1.752 0.280 0.408 0.800 0.700 CB 1.111 11 residues pruned to eliminate duplicates Z: 8 8.194 1.972 0.387 0.578 0.857 0.857 CB 1.226 8 residues pruned to eliminate duplicates Z: 17 8.049 1.746 0.510 0.292 0.875 0.562 CB 1.101 17 residues pruned to eliminate duplicates Z: 12 6.947 1.643 0.383 0.441 1.000 0.636 CB 0.980 12 residues pruned to eliminate duplicates Z: 11 6.201 1.753 0.644 0.415 0.800 0.700 CB 0.930 11 residues pruned to eliminate duplicates Z: 16 12.083 1.812 0.575 0.613 0.800 0.600 CA 1.228 16 residues pruned to eliminate duplicates Z: 19 14.580 1.906 0.639 0.631 0.833 0.611 CB 1.167 19 residues pruned to eliminate duplicates Z: 12 16.359 1.808 0.484 0.831 1.000 0.727 CB 1.381 12 residues pruned to eliminate duplicates Z: 14 13.710 1.864 0.673 0.674 0.846 0.538 CA 1.227 14 residues pruned to eliminate duplicates Z: 11 14.244 1.806 0.562 0.831 1.000 0.600 CB 1.200 11 residues pruned to eliminate duplicates Z: 23 12.185 1.754 0.643 0.513 0.818 0.500 CB 1.088 26 residues pruned to eliminate duplicates Z: 13 14.500 1.735 0.537 0.851 0.917 0.667 CB 1.267 13 residues pruned to eliminate duplicates Z: 12 18.003 1.964 0.788 0.759 0.909 0.636 CB 1.350 12 residues pruned to eliminate duplicates Z: 12 15.613 1.969 0.579 0.775 0.909 0.636 CB 1.306 12 residues pruned to eliminate duplicates Z: 14 13.142 1.867 0.703 0.602 0.846 0.308 CB 1.229 14 residues pruned to eliminate duplicates Z: 20 10.948 1.762 0.464 0.573 0.842 0.684 CB 1.078 20 residues pruned to eliminate duplicates Z: 29 17.782 1.853 0.581 0.494 0.893 0.571 CA 1.292 29 residues pruned to eliminate duplicates Z: 36 16.951 1.813 0.459 0.510 0.886 0.571 CB 1.211 36 residues pruned to eliminate duplicates Z: 16 13.233 1.867 0.672 0.470 0.867 0.733 CA 1.302 16 residues pruned to eliminate duplicates Z: 15 13.839 1.977 0.585 0.471 0.857 0.643 CA 1.418 15 residues pruned to eliminate duplicates Z: 24 17.319 1.911 0.535 0.638 0.957 0.739 CB 1.131 24 residues pruned to eliminate duplicates Z: 13 12.384 1.913 0.493 0.497 0.917 0.667 CA 1.371 13 residues pruned to eliminate duplicates Z: 27 16.026 1.927 0.533 0.509 0.846 0.538 CB 1.246 27 residues pruned to eliminate duplicates Z: 15 14.455 1.965 0.390 0.522 1.000 0.571 CA 1.385 15 residues pruned to eliminate duplicates Z: 35 18.006 1.815 0.603 0.476 0.882 0.441 CB 1.232 35 residues pruned to eliminate duplicates Z: 17 13.514 1.878 0.447 0.470 1.000 0.438 CA 1.281 17 residues pruned to eliminate duplicates Z: 14 13.997 1.990 0.455 0.501 1.000 0.692 CA 1.340 14 residues pruned to eliminate duplicates Z: 15 14.278 1.982 0.352 0.508 1.000 0.571 CB 1.413 15 residues pruned to eliminate duplicates Z: 19 12.236 1.851 0.494 0.376 0.944 0.556 CB 1.261 19 residues pruned to eliminate duplicates Z: 14 13.981 1.978 0.487 0.437 1.000 0.538 CA 1.407 14 residues pruned to eliminate duplicates Z: 14 15.279 1.984 0.546 0.477 1.000 0.615 CB 1.415 14 residues pruned to eliminate duplicates Z: 24 20.863 1.958 0.714 0.615 0.957 0.522 CA 1.216 24 residues pruned to eliminate duplicates Z: 62 32.350 1.983 0.659 0.538 0.902 0.508 CB 1.346 62 residues pruned to eliminate duplicates Z: 43 25.389 1.891 0.721 0.579 0.929 0.595 CB 1.202 43 residues pruned to eliminate duplicates Z: 37 17.226 1.908 0.661 0.469 0.833 0.500 CB 1.122 37 residues pruned to eliminate duplicates Z: 35 21.453 1.943 0.673 0.501 0.882 0.529 CB 1.282 35 residues pruned to eliminate duplicates Z: 29 16.347 1.848 0.869 0.454 0.893 0.536 CA 1.050 29 residues pruned to eliminate duplicates Z: 17 12.637 1.871 0.819 0.543 0.938 0.562 CB 0.949 17 residues pruned to eliminate duplicates Z: 19 11.402 1.734 0.872 0.523 0.778 0.222 CB 1.040 19 residues pruned to eliminate duplicates Z: 32 20.690 1.948 0.769 0.543 0.839 0.484 CB 1.233 32 residues pruned to eliminate duplicates Z: 25 20.073 2.011 0.930 0.575 0.875 0.583 CB 1.122 25 residues pruned to eliminate duplicates Z: 45 26.743 1.910 0.688 0.592 0.955 0.591 CB 1.200 45 residues pruned to eliminate duplicates Z: 32 22.248 1.972 0.726 0.581 0.903 0.710 CA 1.202 32 residues pruned to eliminate duplicates Z: 7 5.847 1.795 0.502 0.424 0.833 0.167 CA 1.150 7 residues pruned to eliminate duplicates Z: 7 6.465 1.936 0.241 0.536 0.833 0.667 CA 1.272 7 residues pruned to eliminate duplicates Z: 66 29.215 1.882 0.605 0.533 0.908 0.508 CB 1.280 66 residues pruned to eliminate duplicates Z: 39 18.785 2.020 0.525 0.432 0.842 0.395 CB 1.261 39 residues pruned to eliminate duplicates Z: 48 27.117 2.032 0.633 0.507 0.915 0.574 CB 1.293 48 residues pruned to eliminate duplicates Z: 44 20.853 1.870 0.513 0.359 0.907 0.488 CB 1.442 44 residues pruned to eliminate duplicates Z: 16 13.004 2.149 0.405 0.455 0.800 0.600 CA 1.455 16 residues pruned to eliminate duplicates Z: 63 28.399 2.007 0.611 0.500 0.855 0.532 CB 1.304 63 residues pruned to eliminate duplicates Z: 38 25.325 2.029 0.572 0.490 0.919 0.595 CB 1.434 38 residues pruned to eliminate duplicates Z: 40 22.941 2.011 0.542 0.436 0.897 0.590 CB 1.410 40 residues pruned to eliminate duplicates Z: 29 22.547 2.057 0.571 0.498 0.893 0.714 CA 1.480 29 residues pruned to eliminate duplicates Z: 30 24.828 2.114 0.675 0.499 0.931 0.586 CB 1.400 30 residues pruned to eliminate duplicates Z: 16 16.279 1.860 0.911 0.733 0.800 0.533 CA 1.199 16 residues pruned to eliminate duplicates Z: 37 25.323 2.063 0.661 0.491 0.889 0.639 CB 1.398 37 residues pruned to eliminate duplicates Z: 15 17.389 1.994 0.674 0.552 0.857 0.571 CA 1.544 15 residues pruned to eliminate duplicates Z: 20 16.823 2.102 0.443 0.552 0.842 0.632 CB 1.435 20 residues pruned to eliminate duplicates Z: 36 26.330 2.072 0.580 0.465 0.971 0.629 CA 1.451 36 residues pruned to eliminate duplicates Z: 17 18.733 2.111 0.676 0.538 0.875 0.625 CB 1.457 17 residues pruned to eliminate duplicates Z: 40 23.126 1.986 0.602 0.445 0.923 0.692 CB 1.335 40 residues pruned to eliminate duplicates Z: 29 26.334 2.159 0.608 0.482 0.929 0.750 CB 1.572 29 residues pruned to eliminate duplicates Z: 63 27.642 1.974 0.554 0.492 0.903 0.565 CB 1.277 63 residues pruned to eliminate duplicates Z: 40 22.720 2.002 0.523 0.465 0.923 0.718 CB 1.340 40 residues pruned to eliminate duplicates Z: 28 26.653 2.112 0.636 0.490 0.963 0.741 CA 1.558 28 residues pruned to eliminate duplicates Z: 32 20.789 2.073 0.533 0.426 0.903 0.645 CA 1.405 32 residues pruned to eliminate duplicates Z: 37 22.007 2.071 0.444 0.473 0.889 0.611 CA 1.419 37 residues pruned to eliminate duplicates Z: 36 23.207 2.055 0.461 0.457 0.943 0.571 CB 1.448 36 residues pruned to eliminate duplicates Z: 29 23.811 2.095 0.543 0.480 0.929 0.786 CA 1.529 29 residues pruned to eliminate duplicates Z: 30 24.226 2.111 0.572 0.470 0.931 0.724 CA 1.500 30 residues pruned to eliminate duplicates Z: 62 30.835 1.981 0.623 0.511 0.918 0.623 CA 1.322 62 residues pruned to eliminate duplicates Z: 38 20.232 2.009 0.400 0.477 0.892 0.676 CA 1.357 38 residues pruned to eliminate duplicates Z: 30 23.921 2.109 0.604 0.445 0.931 0.690 CA 1.493 30 residues pruned to eliminate duplicates Z: 37 22.603 2.053 0.462 0.444 0.917 0.556 CA 1.450 37 residues pruned to eliminate duplicates Z: 15 13.544 2.019 0.463 0.414 0.929 0.714 CB 1.445 15 residues pruned to eliminate duplicates Z: 15 13.099 1.568 0.719 0.885 1.000 0.643 CB 0.938 15 residues pruned to eliminate duplicates Z: 15 8.983 1.733 0.529 0.675 0.857 0.429 CB 0.900 15 residues pruned to eliminate duplicates Z: 22 14.427 1.829 0.491 0.660 0.857 0.476 CB 1.161 22 residues pruned to eliminate duplicates Z: 13 10.305 1.804 0.412 0.745 0.917 0.667 CB 1.023 13 residues pruned to eliminate duplicates Z: 13 11.150 1.729 0.662 0.730 0.917 0.333 CB 0.994 13 residues pruned to eliminate duplicates Z: 12 11.170 1.802 0.523 0.824 0.909 0.727 CB 1.020 12 residues pruned to eliminate duplicates Z: 12 14.206 1.815 0.857 0.819 0.909 0.545 CB 1.060 12 residues pruned to eliminate duplicates Z: 12 12.478 1.796 0.553 0.799 1.000 0.727 CB 1.039 12 residues pruned to eliminate duplicates Z: 13 12.621 1.801 0.558 0.797 0.917 0.667 CB 1.092 13 residues pruned to eliminate duplicates Z: 24 15.689 1.762 0.660 0.594 0.957 0.609 CB 1.068 24 residues pruned to eliminate duplicates Z: 12 12.922 1.752 0.782 0.402 1.000 0.455 CA 1.384 12 residues pruned to eliminate duplicates Z: 35 21.523 1.807 0.585 0.585 0.971 0.559 CB 1.224 36 residues pruned to eliminate duplicates Z: 20 9.318 1.559 0.731 0.730 0.789 0.474 CA 0.816 20 residues pruned to eliminate duplicates Z: 12 10.261 1.742 0.592 0.460 0.909 0.545 CA 1.278 12 residues pruned to eliminate duplicates Z: 18 16.419 1.752 0.935 0.486 1.000 0.471 CA 1.192 18 residues pruned to eliminate duplicates Z: 13 10.605 1.771 0.685 0.334 1.000 0.500 CA 1.230 13 residues pruned to eliminate duplicates Z: 10 8.470 1.798 0.486 0.355 0.889 0.667 CA 1.391 10 residues pruned to eliminate duplicates Z: 25 16.417 1.766 0.471 0.476 0.958 0.625 CA 1.379 25 residues pruned to eliminate duplicates Z: 12 12.081 1.792 0.722 0.466 1.000 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 18 11.594 1.810 0.520 0.344 0.941 0.588 CA 1.287 18 residues pruned to eliminate duplicates Z: 23 16.619 1.816 0.476 0.516 1.000 0.682 CA 1.301 23 residues pruned to eliminate duplicates Z: 47 21.768 1.765 0.539 0.514 0.957 0.565 CB 1.219 47 residues pruned to eliminate duplicates Z: 24 16.429 1.779 0.422 0.529 0.957 0.696 CB 1.375 24 residues pruned to eliminate duplicates Z: 18 11.180 1.755 0.492 0.386 0.882 0.529 CA 1.325 18 residues pruned to eliminate duplicates Z: 24 16.338 1.800 0.453 0.487 1.000 0.696 CA 1.320 24 residues pruned to eliminate duplicates Z: 13 5.352 1.700 0.050 0.259 0.917 0.500 N 1.245 13 residues pruned to eliminate duplicates Z: 20 8.706 1.758 0.251 0.354 0.789 0.316 N 1.347 20 residues pruned to eliminate duplicates Z: 11 5.579 1.786 0.093 0.241 0.900 0.500 N 1.355 11 residues pruned to eliminate duplicates Z: 13 5.008 1.676 0.116 0.247 0.833 0.500 CB 1.242 13 residues pruned to eliminate duplicates Z: 38 15.554 1.740 0.554 0.444 0.811 0.514 CB 1.236 38 residues pruned to eliminate duplicates Z: 24 13.714 1.752 0.445 0.456 0.957 0.478 CB 1.235 24 residues pruned to eliminate duplicates Z: 13 7.842 1.747 0.315 0.399 0.833 0.500 CA 1.316 13 residues pruned to eliminate duplicates Z: 14 7.059 1.690 0.433 0.304 0.846 0.538 CB 1.188 14 residues pruned to eliminate duplicates Z: 13 8.376 1.700 0.681 0.349 0.917 0.583 CB 1.088 13 residues pruned to eliminate duplicates Z: 48 27.343 1.877 0.595 0.547 0.957 0.681 CA 1.329 48 residues pruned to eliminate duplicates Z: 14 6.294 1.642 0.241 0.330 0.846 0.462 CA 1.220 14 residues pruned to eliminate duplicates Z: 37 21.228 1.900 0.441 0.581 0.944 0.556 CA 1.266 37 residues pruned to eliminate duplicates Z: 24 16.931 1.954 0.413 0.608 0.913 0.696 CA 1.264 24 residues pruned to eliminate duplicates Z: 27 17.253 1.934 0.405 0.576 0.923 0.615 CA 1.254 27 residues pruned to eliminate duplicates Z: 24 18.363 1.950 0.433 0.637 0.913 0.696 CA 1.320 24 residues pruned to eliminate duplicates Z: 26 19.533 1.924 0.547 0.606 0.920 0.560 CA 1.291 26 residues pruned to eliminate duplicates Z: 47 26.433 1.883 0.542 0.562 0.978 0.587 CA 1.293 47 residues pruned to eliminate duplicates Z: 23 20.063 1.954 0.509 0.659 0.909 0.591 CA 1.378 23 residues pruned to eliminate duplicates Z: 23 17.884 1.875 0.470 0.665 1.000 0.500 CA 1.187 23 residues pruned to eliminate duplicates Z: 48 24.142 1.826 0.478 0.542 0.957 0.489 CA 1.308 48 residues pruned to eliminate duplicates Z: 35 16.038 1.806 0.366 0.513 0.853 0.353 CA 1.292 35 residues pruned to eliminate duplicates Z: 23 19.646 1.939 0.556 0.661 0.864 0.500 CA 1.384 23 residues pruned to eliminate duplicates Z: 46 25.852 1.877 0.672 0.561 0.889 0.578 CA 1.302 46 residues pruned to eliminate duplicates Z: 19 19.440 1.982 0.618 0.710 0.833 0.611 CA 1.417 19 residues pruned to eliminate duplicates Z: 11 20.278 2.127 0.727 0.903 0.900 0.600 CA 1.382 11 residues pruned to eliminate duplicates Z: 23 22.184 1.984 0.562 0.677 0.909 0.455 CB 1.427 23 residues pruned to eliminate duplicates Z: 37 20.033 1.810 0.445 0.553 0.889 0.444 CA 1.363 37 residues pruned to eliminate duplicates Z: 61 27.592 1.816 0.539 0.603 0.917 0.533 CA 1.260 61 residues pruned to eliminate duplicates Z: 23 21.297 1.936 0.537 0.716 1.000 0.545 CB 1.255 23 residues pruned to eliminate duplicates Z: 14 14.288 1.886 0.760 0.412 0.846 0.538 CB 1.547 13 residues pruned to eliminate duplicates Z: 6 3.204 1.488 0.461 0.298 0.800 0.600 N 1.032 6 residues pruned to eliminate duplicates Z: 15 9.717 1.828 0.502 0.314 0.857 0.643 CA 1.355 15 residues pruned to eliminate duplicates Z: 13 13.408 1.913 0.709 0.331 0.917 0.417 CA 1.553 13 residues pruned to eliminate duplicates Z: 23 14.867 1.795 0.641 0.434 0.864 0.636 CA 1.333 20 residues pruned to eliminate duplicates Z: 7 5.489 1.628 0.900 0.720 0.667 0.167 CA 0.891 7 residues pruned to eliminate duplicates Z: 15 14.166 1.861 0.547 0.407 0.929 0.500 CA 1.561 15 residues pruned to eliminate duplicates Z: 11 10.035 1.700 0.678 0.618 0.800 0.600 CB 1.244 11 residues pruned to eliminate duplicates Z: 21 18.741 1.901 0.642 0.452 0.950 0.600 CB 1.485 22 residues pruned to eliminate duplicates Z: 6 6.543 1.744 0.446 0.599 1.000 0.400 CB 1.056 6 residues pruned to eliminate duplicates Z: 21 16.242 1.852 0.581 0.423 0.950 0.600 CA 1.414 21 residues pruned to eliminate duplicates Z: 20 14.573 1.831 0.547 0.344 0.947 0.474 N 1.476 20 residues pruned to eliminate duplicates Z: 21 17.902 1.896 0.618 0.455 1.000 0.550 CA 1.367 30 residues pruned to eliminate duplicates Z: 6 3.912 1.740 0.215 0.438 1.000 0.600 CB 0.882 6 residues pruned to eliminate duplicates Z: 50 22.464 1.943 0.392 0.479 0.918 0.510 CA 1.320 48 residues pruned to eliminate duplicates Z: 6 3.586 1.354 0.714 0.455 1.000 0.600 CA 0.724 Z: 18 23.271 2.168 0.418 0.794 1.000 0.647 CA 1.419 18 residues pruned to eliminate duplicates Z: 25 23.321 2.043 0.558 0.635 0.958 0.750 CB 1.375 25 residues pruned to eliminate duplicates Z: 38 23.231 2.033 0.508 0.508 0.946 0.622 CB 1.307 38 residues pruned to eliminate duplicates Z: 36 23.653 2.012 0.538 0.502 0.971 0.714 CB 1.327 36 residues pruned to eliminate duplicates Z: 28 21.945 2.071 0.496 0.570 0.926 0.741 CA 1.375 28 residues pruned to eliminate duplicates Z: 32 22.875 2.058 0.580 0.520 0.968 0.516 CB 1.280 32 residues pruned to eliminate duplicates Z: 24 21.297 2.079 0.350 0.604 0.957 0.652 CB 1.499 24 residues pruned to eliminate duplicates Z: 26 17.171 1.989 0.367 0.564 0.920 0.520 CA 1.290 26 residues pruned to eliminate duplicates Z: 31 20.977 2.047 0.412 0.519 0.900 0.533 CA 1.445 31 residues pruned to eliminate duplicates Z: 28 22.815 1.992 0.557 0.587 0.926 0.630 CA 1.407 28 residues pruned to eliminate duplicates Z: 34 26.458 2.094 0.570 0.517 0.970 0.576 CB 1.422 34 residues pruned to eliminate duplicates Z: 55 32.699 2.094 0.457 0.577 0.926 0.537 CB 1.463 55 residues pruned to eliminate duplicates Z: 30 24.658 2.057 0.601 0.529 0.966 0.552 CA 1.400 30 residues pruned to eliminate duplicates Z: 32 20.657 2.008 0.467 0.548 0.903 0.613 CB 1.331 32 residues pruned to eliminate duplicates Z: 24 20.464 2.031 0.548 0.564 0.913 0.478 CB 1.396 24 residues pruned to eliminate duplicates Z: 32 26.878 2.103 0.601 0.558 0.968 0.677 CB 1.400 32 residues pruned to eliminate duplicates Z: 35 25.992 2.066 0.543 0.533 0.941 0.706 CA 1.438 35 residues pruned to eliminate duplicates Z: 56 31.820 2.087 0.452 0.549 0.927 0.655 CB 1.456 56 residues pruned to eliminate duplicates Z: 56 34.743 2.049 0.590 0.563 0.927 0.509 CB 1.458 56 residues pruned to eliminate duplicates Z: 7 5.738 1.592 0.953 0.458 0.667 0.333 CA 1.180 7 residues pruned to eliminate duplicates Z: 44 25.699 2.087 0.494 0.551 0.884 0.698 CB 1.353 44 residues pruned to eliminate duplicates Z: 56 35.041 2.090 0.595 0.573 0.909 0.655 CB 1.453 56 residues pruned to eliminate duplicates Z: 37 20.881 2.006 0.439 0.554 0.833 0.583 CA 1.372 37 residues pruned to eliminate duplicates Z: 58 29.666 2.009 0.506 0.549 0.912 0.632 CB 1.357 58 residues pruned to eliminate duplicates Z: 58 34.986 2.069 0.524 0.569 0.930 0.667 CA 1.478 57 residues pruned to eliminate duplicates Z: 7 3.574 1.518 0.094 0.349 0.833 0.333 CA 1.242 7 residues pruned to eliminate duplicates Z: 55 33.145 2.078 0.496 0.592 0.907 0.648 CA 1.464 55 residues pruned to eliminate duplicates Z: 61 35.514 2.033 0.508 0.591 0.950 0.700 CB 1.443 61 residues pruned to eliminate duplicates Z: 46 31.568 2.102 0.547 0.544 0.956 0.689 CB 1.452 46 residues pruned to eliminate duplicates Z: 20 26.276 2.138 0.566 0.717 0.947 0.737 CA 1.562 20 residues pruned to eliminate duplicates Z: 6 4.915 1.546 0.927 0.431 0.800 0.600 CA 0.991 6 residues pruned to eliminate duplicates Z: 25 17.933 2.011 0.427 0.557 0.875 0.625 CB 1.380 25 residues pruned to eliminate duplicates Z: 53 40.431 2.136 0.600 0.622 0.981 0.692 CB 1.491 54 residues pruned to eliminate duplicates Z: 14 19.873 2.140 0.242 0.848 1.000 0.846 CB 1.538 14 residues pruned to eliminate duplicates Z: 11 15.702 2.042 0.458 0.923 1.000 1.000 CA 1.172 11 residues pruned to eliminate duplicates Z: 24 18.394 1.982 0.476 0.545 0.870 0.565 CB 1.442 24 residues pruned to eliminate duplicates Z: 43 27.119 2.002 0.609 0.524 0.929 0.643 CB 1.365 43 residues pruned to eliminate duplicates Z: 20 27.002 2.141 0.603 0.703 0.947 0.737 CB 1.584 19 residues pruned to eliminate duplicates Z: 13 26.078 2.159 0.518 0.909 1.000 0.667 CB 1.631 14 residues pruned to eliminate duplicates Z: 12 30.118 2.237 0.804 0.936 1.000 0.727 CB 1.567 13 residues pruned to eliminate duplicates Z: 12 22.703 2.096 0.783 0.819 0.909 0.727 CB 1.527 12 residues pruned to eliminate duplicates Z: 55 37.399 2.101 0.654 0.583 0.944 0.704 CB 1.432 55 residues pruned to eliminate duplicates Z: 23 19.367 2.018 0.543 0.616 0.818 0.500 CB 1.452 23 residues pruned to eliminate duplicates Z: 21 24.682 2.096 0.638 0.696 0.900 0.600 CB 1.494 21 residues pruned to eliminate duplicates Z: 37 31.036 2.067 0.667 0.557 0.944 0.444 CA 1.504 37 residues pruned to eliminate duplicates Z: 36 29.637 2.034 0.721 0.534 1.000 0.571 CA 1.383 35 residues pruned to eliminate duplicates Z: 18 24.062 2.094 0.765 0.775 1.000 0.647 CA 1.239 18 residues pruned to eliminate duplicates Z: 25 22.388 2.014 0.666 0.629 1.000 0.667 CA 1.206 25 residues pruned to eliminate duplicates Z: 39 25.009 2.027 0.643 0.469 0.947 0.526 CA 1.327 39 residues pruned to eliminate duplicates Z: 61 32.658 2.033 0.551 0.518 0.967 0.633 CA 1.359 61 residues pruned to eliminate duplicates Z: 24 19.439 2.062 0.534 0.598 0.913 0.652 CA 1.278 24 residues pruned to eliminate duplicates Z: 30 18.771 1.936 0.464 0.508 1.000 0.655 CA 1.220 30 residues pruned to eliminate duplicates Z: 23 24.467 2.112 0.560 0.624 1.000 0.682 CA 1.409 23 residues pruned to eliminate duplicates Z: 35 27.162 2.100 0.599 0.527 0.941 0.618 CA 1.435 35 residues pruned to eliminate duplicates Z: 30 24.286 2.074 0.594 0.513 1.000 0.586 CB 1.347 30 residues pruned to eliminate duplicates Z: 25 19.590 2.000 0.696 0.527 0.875 0.625 CB 1.312 25 residues pruned to eliminate duplicates Z: 44 30.979 2.081 0.635 0.502 0.953 0.651 CA 1.452 45 residues pruned to eliminate duplicates Z: 15 29.640 2.199 0.785 0.900 1.000 0.643 CA 1.442 15 residues pruned to eliminate duplicates Z: 23 25.894 2.105 0.673 0.610 1.000 0.682 CA 1.413 23 residues pruned to eliminate duplicates Z: 38 25.088 2.004 0.570 0.498 0.973 0.568 CA 1.350 38 residues pruned to eliminate duplicates Z: 37 24.601 1.994 0.607 0.497 0.972 0.583 CA 1.320 37 residues pruned to eliminate duplicates Z: 55 35.881 2.054 0.677 0.579 0.944 0.648 CA 1.392 54 residues pruned to eliminate duplicates Z: 24 23.290 1.851 0.901 0.707 0.913 0.696 CA 1.253 26 residues pruned to eliminate duplicates Z: 8 6.896 1.601 0.534 0.402 1.000 0.571 CB 1.176 8 residues pruned to eliminate duplicates Z: 44 26.813 2.034 0.586 0.504 0.907 0.628 CA 1.391 44 residues pruned to eliminate duplicates Z: 54 33.577 2.054 0.626 0.555 0.962 0.642 CA 1.360 54 residues pruned to eliminate duplicates Z: 42 25.509 1.998 0.663 0.492 0.902 0.537 CB 1.339 42 residues pruned to eliminate duplicates Z: 37 24.709 1.977 0.569 0.530 0.972 0.583 CA 1.327 37 residues pruned to eliminate duplicates Z: 54 34.264 2.068 0.576 0.610 0.962 0.566 CA 1.352 54 residues pruned to eliminate duplicates Z: 55 35.306 2.071 0.647 0.573 0.963 0.648 CA 1.363 55 residues pruned to eliminate duplicates Z: 64 32.586 1.965 0.625 0.549 0.921 0.635 CB 1.331 64 residues pruned to eliminate duplicates Z: 46 28.934 1.994 0.624 0.520 0.933 0.533 CB 1.400 44 residues pruned to eliminate duplicates Z: 7 6.594 1.590 0.751 0.514 0.833 0.667 CA 1.144 7 residues pruned to eliminate duplicates Z: 55 35.605 2.066 0.649 0.584 0.944 0.667 CA 1.390 55 residues pruned to eliminate duplicates Z: 35 23.721 2.018 0.562 0.502 0.912 0.500 CA 1.413 35 residues pruned to eliminate duplicates Z: 51 37.285 2.125 0.642 0.595 0.980 0.700 CA 1.408 52 residues pruned to eliminate duplicates Z: 13 22.194 2.155 0.368 0.905 1.000 0.833 CA 1.547 13 residues pruned to eliminate duplicates Z: 21 21.998 2.044 0.552 0.678 0.900 0.550 CB 1.462 21 residues pruned to eliminate duplicates Z: 21 19.325 2.029 0.587 0.617 0.850 0.450 CA 1.414 21 residues pruned to eliminate duplicates Z: 20 23.895 2.073 0.693 0.693 0.947 0.579 CA 1.382 20 residues pruned to eliminate duplicates Z: 25 21.165 1.959 0.763 0.528 0.875 0.500 CB 1.391 25 residues pruned to eliminate duplicates Z: 49 37.851 2.089 0.700 0.581 0.958 0.583 CB 1.484 49 residues pruned to eliminate duplicates Z: 19 30.826 2.162 0.903 0.717 0.944 0.556 CB 1.537 19 residues pruned to eliminate duplicates Z: 19 21.541 2.137 0.673 0.623 0.833 0.500 CA 1.516 19 residues pruned to eliminate duplicates Z: 54 38.828 2.081 0.722 0.591 0.962 0.585 CA 1.418 53 residues pruned to eliminate duplicates Z: 13 26.676 2.185 0.716 0.835 1.000 0.250 CA 1.538 13 residues pruned to eliminate duplicates Z: 22 24.487 2.050 0.801 0.630 0.952 0.381 CB 1.345 22 residues pruned to eliminate duplicates Z: 30 21.523 1.979 0.656 0.489 0.897 0.483 CB 1.375 30 residues pruned to eliminate duplicates Z: 20 23.362 2.084 0.822 0.657 0.842 0.526 CB 1.449 20 residues pruned to eliminate duplicates Z: 8 3.297 1.694 0.305 0.293 0.857 0.571 CB 0.829 8 residues pruned to eliminate duplicates Z: 6 3.041 1.853 0.679 0.616 0.800 0.800 CB 0.489 5 residues pruned to eliminate duplicates Z: 7 3.681 1.302 0.982 0.424 0.833 0.500 CA 0.756 7 residues pruned to eliminate duplicates Z: 6 2.894 1.148 0.403 0.613 1.000 0.800 O 0.722 6 residues pruned to eliminate duplicates Z: 10 10.426 1.727 0.528 0.532 0.889 0.667 CA 1.436 12 residues pruned to eliminate duplicates Z: 7 7.229 1.844 0.463 0.544 0.833 0.667 CA 1.258 7 residues pruned to eliminate duplicates Z: 12 9.662 1.633 0.488 0.443 0.909 0.545 CA 1.398 11 residues pruned to eliminate duplicates Z: 7 7.066 1.435 0.647 0.660 1.000 0.333 O 1.053 7 residues pruned to eliminate duplicates Z: 60 32.577 2.011 0.637 0.532 0.915 0.627 CA 1.363 60 residues pruned to eliminate duplicates Z: 12 8.619 1.629 0.620 0.422 0.818 0.818 CA 1.305 12 residues pruned to eliminate duplicates Z: 13 10.663 1.635 0.707 0.453 0.917 0.750 CA 1.263 10 residues pruned to eliminate duplicates Z: 6 3.353 1.447 0.373 0.404 1.000 0.800 CA 0.835 Z: 13 9.705 1.950 0.285 0.667 0.750 0.583 CA 1.278 13 residues pruned to eliminate duplicates Z: 38 18.646 1.980 0.207 0.408 0.973 0.622 CA 1.452 38 residues pruned to eliminate duplicates Z: 47 20.875 1.952 0.348 0.394 0.957 0.565 CB 1.367 47 residues pruned to eliminate duplicates Z: 46 20.416 1.954 0.374 0.436 0.889 0.600 CB 1.363 46 residues pruned to eliminate duplicates Z: 54 31.321 2.029 0.479 0.569 0.943 0.585 CA 1.422 54 residues pruned to eliminate duplicates Z: 36 24.380 2.052 0.442 0.475 0.971 0.571 CB 1.470 36 residues pruned to eliminate duplicates Z: 47 19.095 1.940 0.291 0.390 0.935 0.565 CB 1.351 47 residues pruned to eliminate duplicates Z: 39 21.125 1.960 0.497 0.428 0.895 0.526 CB 1.406 39 residues pruned to eliminate duplicates Z: 38 24.475 2.000 0.466 0.478 1.000 0.514 CB 1.403 38 residues pruned to eliminate duplicates Z: 19 14.851 1.970 0.325 0.543 0.944 0.611 CB 1.362 19 residues pruned to eliminate duplicates Z: 23 22.144 2.040 0.459 0.627 1.000 0.591 CA 1.407 22 residues pruned to eliminate duplicates Z: 17 21.469 1.937 0.533 0.906 1.000 0.625 CB 1.285 17 residues pruned to eliminate duplicates Z: 48 20.334 1.917 0.366 0.392 0.957 0.596 CB 1.326 48 residues pruned to eliminate duplicates Z: 50 34.774 2.051 0.623 0.546 0.980 0.551 CB 1.456 50 residues pruned to eliminate duplicates Z: 36 23.632 2.047 0.409 0.473 1.000 0.571 CA 1.423 36 residues pruned to eliminate duplicates Z: 31 19.642 2.039 0.348 0.409 1.000 0.600 CB 1.436 31 residues pruned to eliminate duplicates Z: 32 21.581 2.036 0.450 0.465 0.968 0.548 CA 1.406 32 residues pruned to eliminate duplicates Z: 37 26.940 2.032 0.546 0.487 1.000 0.528 CA 1.449 37 residues pruned to eliminate duplicates Z: 6 2.920 1.514 0.261 0.468 1.000 1.000 CA 0.707 6 residues pruned to eliminate duplicates Z: 47 23.611 1.948 0.489 0.435 0.935 0.543 CB 1.374 47 residues pruned to eliminate duplicates Z: 43 22.804 2.014 0.514 0.429 0.881 0.500 CB 1.410 43 residues pruned to eliminate duplicates Z: 36 25.182 2.036 0.465 0.497 1.000 0.571 CA 1.432 36 residues pruned to eliminate duplicates Z: 6 3.042 1.501 0.277 0.374 0.800 0.400 CB 1.016 6 residues pruned to eliminate duplicates Z: 39 26.083 1.963 0.610 0.483 1.000 0.579 CB 1.361 38 residues pruned to eliminate duplicates Z: 16 22.570 2.136 0.570 0.710 1.000 0.667 CA 1.436 16 residues pruned to eliminate duplicates Z: 48 35.010 2.087 0.628 0.547 0.957 0.553 CA 1.500 48 residues pruned to eliminate duplicates Z: 48 34.181 2.072 0.586 0.568 0.957 0.553 CA 1.483 48 residues pruned to eliminate duplicates Z: 54 36.637 2.057 0.586 0.577 0.981 0.547 CA 1.460 55 residues pruned to eliminate duplicates Z: 11 18.683 2.267 0.390 0.893 0.900 0.800 CA 1.495 11 residues pruned to eliminate duplicates Z: 54 35.075 2.057 0.578 0.551 0.943 0.509 CA 1.498 54 residues pruned to eliminate duplicates Z: 49 33.587 2.064 0.598 0.560 0.938 0.542 CA 1.479 49 residues pruned to eliminate duplicates Z: 18 31.189 2.151 0.718 0.732 1.000 0.529 CA 1.661 18 residues pruned to eliminate duplicates Z: 53 35.623 2.057 0.597 0.569 0.942 0.538 CA 1.494 53 residues pruned to eliminate duplicates Z: 60 31.993 2.041 0.532 0.503 0.898 0.508 CA 1.478 60 residues pruned to eliminate duplicates Z: 50 36.908 2.039 0.707 0.563 0.959 0.429 CA 1.486 50 residues pruned to eliminate duplicates Z: 50 33.972 2.023 0.578 0.581 0.939 0.531 CA 1.498 50 residues pruned to eliminate duplicates Z: 20 8.005 1.718 0.696 0.426 0.842 0.368 CB 0.809 20 residues pruned to eliminate duplicates Z: 33 23.880 1.969 0.520 0.559 1.000 0.562 CA 1.331 45 residues pruned to eliminate duplicates Z: 17 16.792 1.959 0.326 0.806 1.000 0.812 CA 1.237 17 residues pruned to eliminate duplicates Z: 12 9.832 1.984 0.032 0.600 1.000 0.364 CA 1.317 12 residues pruned to eliminate duplicates Z: 23 8.717 1.799 0.136 0.355 0.909 0.500 CB 1.170 11 residues pruned to eliminate duplicates Z: 17 18.790 1.916 0.684 0.854 0.938 0.562 CA 1.147 17 residues pruned to eliminate duplicates Z: 44 21.654 1.861 0.435 0.504 0.930 0.558 CA 1.323 45 residues pruned to eliminate duplicates Z: 18 15.533 1.878 0.283 0.869 1.000 0.588 CA 1.142 18 residues pruned to eliminate duplicates Z: 33 24.566 1.981 0.521 0.536 1.000 0.531 CA 1.390 33 residues pruned to eliminate duplicates Z: 44 18.843 1.880 0.399 0.446 0.907 0.581 CB 1.273 44 residues pruned to eliminate duplicates Z: 24 18.628 1.902 0.477 0.637 0.957 0.696 CA 1.271 24 residues pruned to eliminate duplicates Z: 35 19.301 1.890 0.474 0.499 0.882 0.588 CA 1.348 35 residues pruned to eliminate duplicates Z: 34 23.758 1.953 0.527 0.574 0.970 0.697 CA 1.331 34 residues pruned to eliminate duplicates Z: 33 20.994 1.965 0.431 0.559 0.906 0.719 CA 1.375 33 residues pruned to eliminate duplicates Z: 34 21.584 1.956 0.406 0.553 0.939 0.636 CA 1.381 34 residues pruned to eliminate duplicates Z: 47 20.352 1.865 0.438 0.439 0.891 0.543 CB 1.337 47 residues pruned to eliminate duplicates Z: 21 10.708 1.919 0.293 0.295 0.900 0.550 CB 1.349 21 residues pruned to eliminate duplicates Z: 25 19.736 1.894 0.529 0.596 1.000 0.625 CA 1.269 25 residues pruned to eliminate duplicates Z: 20 11.469 1.911 0.356 0.318 0.947 0.474 CB 1.311 20 residues pruned to eliminate duplicates Z: 21 11.453 1.917 0.330 0.310 0.900 0.500 CB 1.379 21 residues pruned to eliminate duplicates Z: 19 11.477 1.930 0.461 0.328 0.889 0.611 CB 1.304 19 residues pruned to eliminate duplicates Z: 34 20.549 1.945 0.385 0.524 0.970 0.515 CA 1.337 34 residues pruned to eliminate duplicates Z: 44 21.393 1.871 0.433 0.458 0.953 0.558 CA 1.332 44 residues pruned to eliminate duplicates Z: 6 5.297 1.764 0.682 0.405 0.800 0.600 CA 1.102 6 residues pruned to eliminate duplicates Z: 37 21.608 1.900 0.532 0.514 0.917 0.583 CA 1.330 37 residues pruned to eliminate duplicates Z: 31 19.123 1.949 0.327 0.561 0.933 0.567 CA 1.363 31 residues pruned to eliminate duplicates Z: 30 24.104 1.989 0.490 0.564 0.966 0.517 CA 1.471 30 residues pruned to eliminate duplicates Z: 43 26.633 1.957 0.578 0.573 0.881 0.643 CA 1.408 43 residues pruned to eliminate duplicates Z: 18 16.985 1.846 0.588 0.624 0.882 0.471 CA 1.417 10 residues pruned to eliminate duplicates Z: 10 15.397 1.871 0.779 0.842 0.778 0.444 CA 1.477 10 residues pruned to eliminate duplicates Z: 38 18.113 1.952 0.464 0.459 0.865 0.514 CB 1.257 38 residues pruned to eliminate duplicates Z: 39 28.091 1.973 0.639 0.556 0.947 0.605 CB 1.408 39 residues pruned to eliminate duplicates Z: 19 20.418 1.980 0.589 0.709 0.889 0.500 CB 1.423 18 residues pruned to eliminate duplicates Z: 11 22.493 2.030 0.957 0.895 1.000 0.600 CA 1.283 11 residues pruned to eliminate duplicates Z: 21 16.281 1.863 0.608 0.630 0.950 0.500 CB 1.132 21 residues pruned to eliminate duplicates Z: 13 20.596 1.961 1.075 0.727 0.917 0.500 CB 1.299 13 residues pruned to eliminate duplicates Z: 21 16.142 1.835 0.732 0.617 0.950 0.300 CB 1.070 21 residues pruned to eliminate duplicates Z: 10 6.810 1.904 0.053 0.458 0.889 0.444 CB 1.330 10 residues pruned to eliminate duplicates Z: 6 6.504 2.010 -0.001 0.536 1.000 1.000 CA 1.397 6 residues pruned to eliminate duplicates Z: 9 11.274 1.985 0.231 0.661 1.000 0.875 CA 1.404 10 residues pruned to eliminate duplicates Z: 9 9.335 1.819 0.284 0.832 0.875 0.500 CA 1.213 9 residues pruned to eliminate duplicates Z: 16 8.383 1.708 0.271 0.510 0.867 0.600 CB 1.139 16 residues pruned to eliminate duplicates Z: 15 9.116 1.670 0.529 0.580 0.857 0.500 CB 1.031 15 residues pruned to eliminate duplicates Z: 20 14.635 1.788 0.765 0.506 0.895 0.632 CA 1.182 20 residues pruned to eliminate duplicates Z: 6 7.329 1.817 0.529 0.614 0.800 0.400 CA 1.325 6 residues pruned to eliminate duplicates Z: 25 14.018 1.853 0.540 0.415 0.833 0.375 CB 1.315 20 residues pruned to eliminate duplicates Z: 6 3.251 1.759 0.474 0.411 0.800 0.600 CA 0.770 6 residues pruned to eliminate duplicates Z: 31 12.760 1.825 0.392 0.367 0.767 0.433 CA 1.380 31 residues pruned to eliminate duplicates Z: 32 10.603 1.705 0.526 0.380 0.806 0.419 CB 1.032 32 residues pruned to eliminate duplicates Z: 33 16.153 1.818 0.699 0.416 0.812 0.375 CB 1.241 59 residues pruned to eliminate duplicates Z: 12 7.774 1.824 0.647 0.289 0.818 0.455 CB 1.209 Z: 7 5.430 1.804 0.536 0.420 0.833 0.500 CB 1.044 Z: 6 4.144 1.456 0.667 0.413 0.800 0.200 N 1.046 6 residues pruned to eliminate duplicates Z: 12 12.352 1.961 0.620 0.633 0.818 0.455 CB 1.265 12 residues pruned to eliminate duplicates Z: 11 8.127 1.990 0.578 0.722 0.600 0.400 CB 1.117 11 residues pruned to eliminate duplicates Z: 42 23.951 1.953 0.561 0.565 0.878 0.512 CB 1.312 42 residues pruned to eliminate duplicates Z: 37 26.365 2.039 0.494 0.605 0.889 0.611 CB 1.468 37 residues pruned to eliminate duplicates Z: 45 28.199 2.001 0.552 0.612 0.864 0.591 CA 1.425 52 residues pruned to eliminate duplicates Z: 58 31.033 2.003 0.575 0.550 0.877 0.526 CA 1.415 70 residues pruned to eliminate duplicates Z: 44 29.443 2.050 0.511 0.594 0.884 0.512 CA 1.498 44 residues pruned to eliminate duplicates Z: 35 25.799 2.062 0.500 0.584 0.882 0.588 CA 1.496 35 residues pruned to eliminate duplicates Z: 45 28.424 2.021 0.537 0.586 0.864 0.682 CA 1.471 45 residues pruned to eliminate duplicates Z: 59 28.139 1.986 0.422 0.527 0.897 0.569 CA 1.421 59 residues pruned to eliminate duplicates Z: 76 33.632 2.009 0.563 0.549 0.853 0.533 CB 1.381 76 residues pruned to eliminate duplicates Z: 45 30.098 2.034 0.556 0.573 0.886 0.591 CA 1.507 45 residues pruned to eliminate duplicates Z: 57 26.335 1.950 0.608 0.512 0.821 0.536 CB 1.351 57 residues pruned to eliminate duplicates Z: 49 29.464 2.027 0.544 0.599 0.875 0.646 CB 1.413 49 residues pruned to eliminate duplicates Z: 71 34.719 2.003 0.617 0.585 0.857 0.500 CB 1.378 71 residues pruned to eliminate duplicates Z: 89 29.248 1.954 0.486 0.470 0.818 0.500 CB 1.353 89 residues pruned to eliminate duplicates Z: 32 21.038 1.892 0.495 0.487 0.903 0.581 CB 1.498 32 residues pruned to eliminate duplicates Z: 67 33.534 2.033 0.513 0.577 0.879 0.485 CB 1.418 67 residues pruned to eliminate duplicates Z: 98 33.816 1.959 0.605 0.504 0.845 0.546 CB 1.287 98 residues pruned to eliminate duplicates Z: 64 29.332 1.974 0.599 0.557 0.810 0.476 CB 1.369 64 residues pruned to eliminate duplicates Z: 43 21.073 1.911 0.412 0.482 0.881 0.619 CB 1.393 43 residues pruned to eliminate duplicates Z: 62 23.997 1.900 0.534 0.440 0.836 0.475 CA 1.341 62 residues pruned to eliminate duplicates Z: 42 27.888 2.023 0.556 0.581 0.878 0.610 CB 1.458 42 residues pruned to eliminate duplicates Z: 91 33.290 1.965 0.500 0.510 0.833 0.544 CB 1.414 91 residues pruned to eliminate duplicates Z: 49 27.152 2.009 0.573 0.551 0.854 0.562 CB 1.382 49 residues pruned to eliminate duplicates Z: 43 26.961 2.052 0.503 0.584 0.833 0.524 CB 1.492 43 residues pruned to eliminate duplicates Z: 72 36.520 2.021 0.614 0.563 0.887 0.451 CB 1.409 72 residues pruned to eliminate duplicates Z: 61 32.102 2.006 0.590 0.535 0.867 0.550 CB 1.448 61 residues pruned to eliminate duplicates Z: 45 27.548 1.979 0.659 0.570 0.864 0.523 CB 1.368 45 residues pruned to eliminate duplicates Z: 57 28.457 1.983 0.648 0.505 0.875 0.446 CB 1.323 57 residues pruned to eliminate duplicates Z: 30 23.264 2.017 0.537 0.465 0.931 0.517 CB 1.551 30 residues pruned to eliminate duplicates Z: 29 22.580 1.992 0.501 0.493 0.929 0.571 CB 1.547 29 residues pruned to eliminate duplicates Z: 42 30.082 2.073 0.527 0.601 0.902 0.512 CB 1.493 42 residues pruned to eliminate duplicates Z: 38 30.506 2.065 0.647 0.621 0.919 0.514 CB 1.431 38 residues pruned to eliminate duplicates Z: 79 34.594 1.970 0.629 0.498 0.859 0.513 CA 1.424 79 residues pruned to eliminate duplicates Z: 58 29.367 1.992 0.574 0.505 0.860 0.526 CA 1.436 58 residues pruned to eliminate duplicates Z: 69 30.012 2.016 0.521 0.527 0.838 0.485 CB 1.378 69 residues pruned to eliminate duplicates Z: 63 29.953 1.986 0.605 0.511 0.871 0.500 CB 1.355 63 residues pruned to eliminate duplicates Z: 35 20.762 1.999 0.510 0.473 0.824 0.382 CB 1.471 35 residues pruned to eliminate duplicates Z: 90 37.159 1.969 0.682 0.490 0.854 0.472 CB 1.407 90 residues pruned to eliminate duplicates Z: 72 37.359 2.027 0.649 0.569 0.887 0.479 CB 1.399 72 residues pruned to eliminate duplicates Z: 29 17.239 1.927 0.732 0.507 0.786 0.393 CB 1.234 29 residues pruned to eliminate duplicates Z: 73 32.370 1.979 0.655 0.540 0.806 0.528 CB 1.390 73 residues pruned to eliminate duplicates Z: 42 26.289 1.927 0.725 0.591 0.902 0.439 CB 1.255 42 residues pruned to eliminate duplicates Z: 42 24.949 1.905 0.567 0.614 0.927 0.512 CB 1.264 42 residues pruned to eliminate duplicates Z: 32 19.897 1.870 0.489 0.566 0.968 0.516 CA 1.244 47 residues pruned to eliminate duplicates Z: 26 20.670 2.045 0.697 0.575 0.880 0.440 CB 1.259 26 residues pruned to eliminate duplicates Z: 25 26.894 2.069 1.005 0.572 0.917 0.542 CB 1.346 25 residues pruned to eliminate duplicates Z: 30 18.820 1.976 0.589 0.508 0.862 0.414 CA 1.282 30 residues pruned to eliminate duplicates Z: 50 26.184 1.877 0.575 0.570 0.918 0.469 CB 1.288 50 residues pruned to eliminate duplicates Z: 22 15.855 1.987 0.629 0.587 0.857 0.381 CB 1.148 22 residues pruned to eliminate duplicates Z: 27 19.768 2.033 0.693 0.539 0.846 0.500 CB 1.281 27 residues pruned to eliminate duplicates Z: 23 15.224 1.932 0.634 0.541 0.864 0.455 CB 1.143 23 residues pruned to eliminate duplicates Z: 31 15.525 1.953 0.411 0.452 0.833 0.433 CB 1.296 31 residues pruned to eliminate duplicates Z: 42 27.644 1.948 0.709 0.608 0.927 0.439 CB 1.262 42 residues pruned to eliminate duplicates Z: 34 21.471 1.997 0.555 0.519 0.909 0.424 CB 1.299 34 residues pruned to eliminate duplicates Z: 48 26.078 1.918 0.502 0.574 0.957 0.426 CA 1.284 48 residues pruned to eliminate duplicates Z: 41 21.775 1.920 0.389 0.530 0.950 0.475 CA 1.320 41 residues pruned to eliminate duplicates Z: 29 20.358 2.017 0.520 0.503 0.929 0.357 CA 1.347 29 residues pruned to eliminate duplicates Z: 61 32.246 2.011 0.646 0.507 0.950 0.600 CB 1.314 61 residues pruned to eliminate duplicates Z: 48 25.441 1.826 0.609 0.528 0.957 0.447 CB 1.283 48 residues pruned to eliminate duplicates Z: 34 18.425 1.933 0.550 0.442 0.848 0.455 CA 1.339 34 residues pruned to eliminate duplicates Z: 13 9.539 1.721 0.445 0.447 0.917 0.500 N 1.274 13 residues pruned to eliminate duplicates Z: 10 9.509 1.880 0.491 0.476 0.889 0.556 CB 1.302 10 residues pruned to eliminate duplicates Z: 10 8.828 1.863 0.608 0.524 0.889 0.444 CA 1.079 10 residues pruned to eliminate duplicates Z: 10 7.629 1.917 0.389 0.436 0.778 0.556 CA 1.312 10 residues pruned to eliminate duplicates Z: 37 24.276 2.035 0.570 0.467 0.917 0.611 CB 1.429 37 residues pruned to eliminate duplicates Z: 10 7.398 1.956 0.624 0.396 0.667 0.444 CA 1.300 10 residues pruned to eliminate duplicates Z: 37 23.632 2.020 0.684 0.446 0.889 0.556 CB 1.377 37 residues pruned to eliminate duplicates Z: 36 23.074 2.021 0.577 0.440 0.914 0.571 CB 1.424 36 residues pruned to eliminate duplicates Z: 11 5.778 1.873 0.370 0.344 0.700 0.500 CA 1.206 11 residues pruned to eliminate duplicates Z: 25 16.479 1.957 0.497 0.526 0.833 0.542 CA 1.342 25 residues pruned to eliminate duplicates Z: 25 18.808 1.964 0.578 0.518 0.875 0.625 CA 1.391 25 residues pruned to eliminate duplicates Z: 32 21.705 1.983 0.542 0.464 0.935 0.710 CB 1.414 32 residues pruned to eliminate duplicates Z: 33 22.782 2.033 0.534 0.501 0.906 0.781 CA 1.425 33 residues pruned to eliminate duplicates Z: 43 23.139 1.926 0.556 0.434 0.929 0.548 CA 1.374 44 residues pruned to eliminate duplicates Z: 14 16.735 1.846 0.615 0.819 0.923 0.769 CA 1.279 14 residues pruned to eliminate duplicates Z: 35 23.470 1.988 0.607 0.478 0.941 0.647 CA 1.368 35 residues pruned to eliminate duplicates Z: 23 21.405 2.031 0.639 0.556 0.909 0.682 CA 1.428 23 residues pruned to eliminate duplicates Z: 14 19.304 2.054 0.586 0.752 0.923 0.615 CA 1.423 14 residues pruned to eliminate duplicates Z: 51 26.965 2.018 0.540 0.471 0.920 0.700 CB 1.374 52 residues pruned to eliminate duplicates Z: 13 21.656 1.989 0.656 0.811 1.000 0.667 CA 1.448 13 residues pruned to eliminate duplicates Z: 37 22.035 1.985 0.534 0.442 0.917 0.583 CA 1.397 37 residues pruned to eliminate duplicates Z: 26 19.657 1.963 0.714 0.487 0.880 0.600 CB 1.346 26 residues pruned to eliminate duplicates Z: 35 22.879 1.975 0.617 0.464 0.912 0.647 CA 1.398 33 residues pruned to eliminate duplicates Z: 15 19.435 1.841 0.748 0.797 1.000 0.714 CA 1.244 15 residues pruned to eliminate duplicates Z: 37 19.779 1.986 0.534 0.384 0.861 0.556 CA 1.422 38 residues pruned to eliminate duplicates Z: 12 15.059 1.990 0.526 0.652 0.909 0.545 CA 1.429 12 residues pruned to eliminate duplicates Z: 16 12.403 2.033 0.586 0.254 0.933 0.800 CB 1.411 16 residues pruned to eliminate duplicates Z: 35 21.608 2.028 0.464 0.451 0.912 0.676 CA 1.438 35 residues pruned to eliminate duplicates Z: 19 11.393 1.852 0.528 0.323 0.833 0.556 CA 1.383 19 residues pruned to eliminate duplicates Z: 18 9.613 1.829 0.657 0.263 0.706 0.471 CA 1.428 18 residues pruned to eliminate duplicates Z: 14 16.565 1.997 0.716 0.306 1.000 0.692 CA 1.664 14 residues pruned to eliminate duplicates Z: 36 20.884 1.987 0.552 0.458 0.886 0.714 CA 1.349 35 residues pruned to eliminate duplicates Z: 8 9.094 1.642 0.554 0.572 1.000 0.571 CA 1.257 8 residues pruned to eliminate duplicates Z: 10 10.927 1.674 0.704 0.812 0.889 0.778 N 1.095 10 residues pruned to eliminate duplicates Z: 8 9.229 1.866 0.276 0.792 1.000 0.571 CA 1.135 8 residues pruned to eliminate duplicates Z: 8 6.340 1.860 0.431 0.466 0.714 0.571 CA 1.305 8 residues pruned to eliminate duplicates Z: 21 11.477 1.674 0.544 0.454 0.900 0.650 CA 1.156 18 residues pruned to eliminate duplicates Z: 7 11.835 1.806 1.136 0.733 0.833 0.500 CA 1.220 7 residues pruned to eliminate duplicates Z: 16 11.839 1.695 0.756 0.399 1.000 0.600 CA 1.143 16 residues pruned to eliminate duplicates Z: 16 11.014 1.783 0.593 0.429 0.933 0.600 CA 1.155 16 residues pruned to eliminate duplicates Z: 19 13.258 1.705 0.630 0.496 0.944 0.556 CA 1.195 19 residues pruned to eliminate duplicates Z: 18 13.990 1.771 0.688 0.559 1.000 0.765 CA 1.072 18 residues pruned to eliminate duplicates Z: 17 13.911 1.814 0.725 0.537 1.000 0.750 CA 1.071 17 residues pruned to eliminate duplicates Z: 18 15.802 1.827 0.791 0.539 0.941 0.647 CA 1.198 18 residues pruned to eliminate duplicates Z: 18 16.507 1.707 0.777 0.664 1.000 0.824 CA 1.134 24 residues pruned to eliminate duplicates Z: 6 4.302 1.484 0.611 0.472 1.000 0.400 CA 0.828 6 residues pruned to eliminate duplicates Z: 24 10.075 1.666 0.569 0.371 0.826 0.565 CA 1.116 24 residues pruned to eliminate duplicates Z: 20 13.544 1.754 0.556 0.498 0.895 0.632 CA 1.276 19 residues pruned to eliminate duplicates Z: 7 6.168 1.741 0.050 0.504 1.000 0.500 CB 1.373 7 residues pruned to eliminate duplicates Z: 13 7.007 1.703 0.323 0.338 0.833 0.333 CA 1.285 12 residues pruned to eliminate duplicates Z: 7 5.756 1.685 0.426 0.474 1.000 1.000 CA 1.004 7 residues pruned to eliminate duplicates Z: 12 10.415 1.714 0.447 0.412 1.000 0.545 CA 1.388 12 residues pruned to eliminate duplicates Z: 20 11.240 1.778 0.464 0.356 0.947 0.421 CB 1.222 19 residues pruned to eliminate duplicates Z: 6 3.729 1.593 0.707 0.460 0.600 0.200 CA 1.064 6 residues pruned to eliminate duplicates Z: 7 8.874 1.965 0.781 0.380 0.833 0.333 CB 1.412 7 residues pruned to eliminate duplicates Z: 9 8.072 1.905 0.874 0.371 0.750 0.250 CB 1.224 9 residues pruned to eliminate duplicates Z: 8 7.887 1.658 0.630 0.436 0.857 0.429 CB 1.374 8 residues pruned to eliminate duplicates Z: 34 18.324 1.851 0.690 0.424 0.848 0.424 CA 1.301 32 residues pruned to eliminate duplicates Z: 13 13.057 1.847 0.458 0.820 0.917 0.667 CB 1.157 13 residues pruned to eliminate duplicates Z: 66 37.654 2.065 0.519 0.609 0.908 0.569 CA 1.479 66 residues pruned to eliminate duplicates Z: 74 36.411 2.005 0.535 0.574 0.904 0.603 CB 1.426 73 residues pruned to eliminate duplicates Z: 13 19.974 1.879 0.693 0.922 1.000 0.917 CA 1.275 13 residues pruned to eliminate duplicates Z: 20 21.963 1.967 0.854 0.687 0.895 0.632 CB 1.300 20 residues pruned to eliminate duplicates Z: 37 35.546 2.095 0.629 0.680 0.972 0.778 CA 1.512 37 residues pruned to eliminate duplicates Z: 38 32.751 2.085 0.599 0.672 0.946 0.649 CA 1.457 38 residues pruned to eliminate duplicates Z: 62 36.386 2.061 0.479 0.612 0.918 0.639 CA 1.497 62 residues pruned to eliminate duplicates Z: 49 26.778 1.995 0.541 0.577 0.812 0.479 CA 1.438 49 residues pruned to eliminate duplicates Z: 37 34.849 2.095 0.628 0.695 0.972 0.583 CA 1.466 37 residues pruned to eliminate duplicates Z: 39 32.941 2.074 0.611 0.635 0.947 0.553 CA 1.488 39 residues pruned to eliminate duplicates Z: 65 34.836 2.055 0.568 0.606 0.828 0.562 CB 1.475 65 residues pruned to eliminate duplicates Z: 41 27.913 2.047 0.552 0.612 0.875 0.575 CA 1.428 41 residues pruned to eliminate duplicates Z: 24 22.798 1.903 0.818 0.619 0.913 0.652 CB 1.344 24 residues pruned to eliminate duplicates Z: 38 33.175 2.076 0.653 0.650 0.973 0.703 CA 1.421 38 residues pruned to eliminate duplicates Z: 38 32.567 2.083 0.585 0.655 0.946 0.757 CB 1.485 38 residues pruned to eliminate duplicates Z: 63 38.485 2.061 0.624 0.608 0.919 0.629 CA 1.434 63 residues pruned to eliminate duplicates Z: 42 32.219 2.081 0.650 0.618 0.902 0.537 CA 1.452 42 residues pruned to eliminate duplicates Z: 37 34.415 2.106 0.614 0.667 1.000 0.667 CA 1.447 37 residues pruned to eliminate duplicates Z: 62 40.531 2.077 0.584 0.616 0.951 0.607 CA 1.486 62 residues pruned to eliminate duplicates Z: 65 40.343 2.022 0.661 0.613 0.953 0.516 CA 1.416 65 residues pruned to eliminate duplicates Z: 63 40.463 2.057 0.660 0.609 0.903 0.581 CB 1.501 63 residues pruned to eliminate duplicates Z: 39 29.249 2.074 0.552 0.637 0.895 0.553 CA 1.450 39 residues pruned to eliminate duplicates Z: 40 31.953 2.054 0.670 0.620 0.923 0.641 CA 1.444 40 residues pruned to eliminate duplicates Z: 43 28.927 2.052 0.672 0.578 0.833 0.619 CA 1.448 43 residues pruned to eliminate duplicates Z: 42 35.252 2.075 0.716 0.628 0.927 0.561 CA 1.478 38 residues pruned to eliminate duplicates Z: 12 23.178 2.154 0.546 0.919 1.000 0.727 CB 1.479 12 residues pruned to eliminate duplicates Z: 45 34.305 2.026 0.681 0.600 0.932 0.591 CA 1.481 45 residues pruned to eliminate duplicates Z: 61 42.838 2.070 0.694 0.645 0.933 0.617 CA 1.477 61 residues pruned to eliminate duplicates Z: 37 39.133 2.115 0.757 0.664 0.972 0.556 CA 1.550 37 residues pruned to eliminate duplicates Z: 52 31.318 2.010 0.672 0.557 0.863 0.373 CB 1.431 52 residues pruned to eliminate duplicates Z: 61 44.243 2.084 0.631 0.622 0.983 0.650 CB 1.524 62 residues pruned to eliminate duplicates Z: 13 21.070 2.076 0.604 0.869 0.833 0.417 CB 1.601 13 residues pruned to eliminate duplicates Z: 73 40.577 2.034 0.730 0.568 0.889 0.611 CB 1.432 66 residues pruned to eliminate duplicates Z: 14 21.900 2.024 0.698 0.830 0.846 0.462 CB 1.570 14 residues pruned to eliminate duplicates Z: 42 36.778 2.066 0.775 0.639 0.951 0.610 CA 1.446 49 residues pruned to eliminate duplicates Z: 12 26.015 2.179 0.760 0.913 0.909 0.545 CB 1.593 12 residues pruned to eliminate duplicates Z: 62 44.816 2.079 0.655 0.635 0.967 0.639 CB 1.520 62 residues pruned to eliminate duplicates Z: 15 18.930 2.094 0.838 0.718 0.786 0.286 CB 1.374 15 residues pruned to eliminate duplicates Z: 67 39.774 2.038 0.637 0.614 0.879 0.591 CA 1.499 67 residues pruned to eliminate duplicates Z: 25 18.071 2.007 0.319 0.611 0.875 0.708 CA 1.433 25 residues pruned to eliminate duplicates Z: 28 19.543 1.944 0.458 0.518 0.889 0.556 CA 1.467 28 residues pruned to eliminate duplicates Z: 25 23.978 2.042 0.541 0.617 0.958 0.792 CA 1.454 25 residues pruned to eliminate duplicates Z: 26 20.707 1.989 0.441 0.580 0.960 0.640 CB 1.393 26 residues pruned to eliminate duplicates Z: 28 21.503 1.961 0.491 0.531 0.963 0.593 CA 1.426 28 residues pruned to eliminate duplicates Z: 24 20.732 2.057 0.336 0.595 1.000 0.652 CA 1.436 24 residues pruned to eliminate duplicates Z: 24 23.655 2.078 0.393 0.619 1.000 0.826 CA 1.523 24 residues pruned to eliminate duplicates Z: 58 33.421 2.015 0.569 0.545 0.912 0.544 CA 1.468 58 residues pruned to eliminate duplicates Z: 27 21.540 2.010 0.417 0.570 0.962 0.692 CA 1.442 27 residues pruned to eliminate duplicates Z: 25 17.666 1.999 0.278 0.586 0.875 0.750 CB 1.485 25 residues pruned to eliminate duplicates Z: 66 41.644 2.061 0.625 0.610 0.938 0.723 CA 1.480 66 residues pruned to eliminate duplicates Z: 25 22.467 2.038 0.457 0.601 0.958 0.750 CA 1.464 25 residues pruned to eliminate duplicates Z: 24 27.780 2.081 0.574 0.639 1.000 0.739 CA 1.553 24 residues pruned to eliminate duplicates Z: 25 21.373 2.007 0.451 0.586 0.958 0.667 CA 1.439 25 residues pruned to eliminate duplicates Z: 24 23.357 2.082 0.461 0.637 0.913 0.652 CA 1.543 24 residues pruned to eliminate duplicates Z: 13 24.086 2.065 0.612 0.887 1.000 0.667 CB 1.505 13 residues pruned to eliminate duplicates Z: 13 27.052 2.123 0.613 0.924 1.000 0.833 CB 1.602 13 residues pruned to eliminate duplicates Z: 25 20.769 2.041 0.373 0.618 0.917 0.667 CB 1.476 25 residues pruned to eliminate duplicates Z: 26 20.813 2.005 0.483 0.567 0.920 0.720 CA 1.426 26 residues pruned to eliminate duplicates Z: 25 22.048 2.010 0.558 0.611 0.917 0.708 CB 1.412 25 residues pruned to eliminate duplicates Z: 15 20.742 1.960 0.628 0.837 0.929 0.786 CA 1.399 15 residues pruned to eliminate duplicates Z: 11 7.237 1.978 0.198 0.429 0.900 0.500 CA 1.155 11 residues pruned to eliminate duplicates Z: 17 12.615 1.924 0.420 0.476 0.875 0.625 CB 1.352 17 residues pruned to eliminate duplicates Z: 35 14.432 1.894 0.520 0.518 0.794 0.529 CB 1.063 35 residues pruned to eliminate duplicates Z: 16 13.324 1.964 0.447 0.456 1.000 0.667 CB 1.266 16 residues pruned to eliminate duplicates Z: 11 9.707 1.974 0.535 0.474 0.900 0.600 CB 1.155 11 residues pruned to eliminate duplicates Z: 17 13.474 2.043 0.489 0.518 0.875 0.688 CB 1.244 17 residues pruned to eliminate duplicates Z: 49 26.961 1.969 0.634 0.558 0.896 0.604 CB 1.276 49 residues pruned to eliminate duplicates Z: 17 14.199 1.974 0.477 0.447 0.938 0.500 CA 1.372 17 residues pruned to eliminate duplicates Z: 29 14.396 1.966 0.514 0.517 0.821 0.464 CB 1.094 29 residues pruned to eliminate duplicates Z: 32 19.615 1.982 0.515 0.576 0.968 0.452 CB 1.127 32 residues pruned to eliminate duplicates Z: 14 14.426 2.082 0.455 0.474 1.000 0.615 CB 1.355 14 residues pruned to eliminate duplicates Z: 16 17.906 2.019 0.538 0.556 1.000 0.733 CA 1.411 16 residues pruned to eliminate duplicates Z: 15 17.133 2.008 0.689 0.482 0.929 0.786 CB 1.480 15 residues pruned to eliminate duplicates Z: 25 19.588 2.017 0.751 0.581 0.917 0.667 CB 1.143 25 residues pruned to eliminate duplicates Z: 31 21.054 1.987 0.567 0.583 0.933 0.633 CB 1.221 31 residues pruned to eliminate duplicates Z: 23 11.417 1.847 0.464 0.490 0.909 0.545 CB 1.001 23 residues pruned to eliminate duplicates Z: 32 18.853 1.934 0.593 0.567 0.968 0.613 CB 1.064 32 residues pruned to eliminate duplicates Z: 32 19.046 1.934 0.655 0.566 0.968 0.613 CB 1.036 32 residues pruned to eliminate duplicates Z: 8 4.776 1.650 0.273 0.437 0.714 0.429 N 1.284 8 residues pruned to eliminate duplicates Z: 28 18.426 1.956 0.586 0.508 0.889 0.556 CB 1.277 28 residues pruned to eliminate duplicates Z: 30 18.647 1.948 0.560 0.578 0.931 0.655 CB 1.136 30 residues pruned to eliminate duplicates Z: 8 6.003 1.804 0.195 0.586 0.857 0.857 CB 1.130 8 residues pruned to eliminate duplicates Z: 42 21.696 1.960 0.736 0.407 0.902 0.585 CB 1.216 48 residues pruned to eliminate duplicates Z: 19 23.687 1.883 0.996 0.686 0.944 0.611 CA 1.326 19 residues pruned to eliminate duplicates Z: 35 19.124 1.963 0.544 0.478 0.882 0.441 CB 1.254 35 residues pruned to eliminate duplicates Z: 39 21.622 1.945 0.622 0.451 0.895 0.526 CB 1.307 39 residues pruned to eliminate duplicates Z: 30 24.158 2.061 0.762 0.458 0.966 0.655 CA 1.336 30 residues pruned to eliminate duplicates Z: 12 20.619 2.048 0.919 0.803 1.000 0.636 CA 1.214 12 residues pruned to eliminate duplicates Z: 18 17.942 2.036 0.687 0.495 0.941 0.529 CB 1.353 18 residues pruned to eliminate duplicates Z: 23 17.745 2.029 0.450 0.511 0.909 0.591 CB 1.398 23 residues pruned to eliminate duplicates Z: 24 15.351 1.904 0.568 0.454 0.913 0.478 CA 1.231 24 residues pruned to eliminate duplicates Z: 17 17.708 2.057 0.820 0.528 0.875 0.500 CB 1.315 17 residues pruned to eliminate duplicates Z: 15 19.032 2.081 0.684 0.586 0.929 0.500 CB 1.439 15 residues pruned to eliminate duplicates Z: 31 21.924 2.061 0.640 0.447 0.933 0.567 CB 1.340 31 residues pruned to eliminate duplicates Z: 29 25.341 2.098 0.791 0.486 0.929 0.679 CB 1.393 30 residues pruned to eliminate duplicates Z: 10 17.690 2.006 1.222 0.810 0.889 0.556 CA 1.136 10 residues pruned to eliminate duplicates Z: 30 24.970 2.061 0.855 0.470 0.931 0.621 CB 1.343 30 residues pruned to eliminate duplicates Z: 14 12.563 2.021 0.658 0.364 1.000 0.538 CB 1.203 14 residues pruned to eliminate duplicates Z: 28 12.858 1.985 0.605 0.274 0.852 0.444 CB 1.178 28 residues pruned to eliminate duplicates Z: 15 12.355 2.013 0.712 0.337 0.929 0.643 CB 1.232 15 residues pruned to eliminate duplicates Z: 14 13.255 2.102 0.646 0.336 0.923 0.462 CB 1.377 14 residues pruned to eliminate duplicates Z: 6 6.509 1.639 0.654 0.366 1.000 0.600 CA 1.240 6 residues pruned to eliminate duplicates Z: 14 15.270 2.078 0.649 0.363 1.000 0.692 CB 1.432 14 residues pruned to eliminate duplicates Z: 13 14.032 2.087 0.704 0.368 1.000 0.833 CB 1.311 13 residues pruned to eliminate duplicates Z: 6 5.471 1.739 0.752 0.455 1.000 1.000 CA 0.841 6 residues pruned to eliminate duplicates Z: 25 17.581 1.802 0.656 0.601 0.875 0.667 CA 1.248 27 residues pruned to eliminate duplicates Z: 6 3.987 1.409 0.729 0.370 1.000 0.200 N 0.841 6 residues pruned to eliminate duplicates Z: 10 10.721 1.743 0.887 0.459 1.000 0.556 CA 1.133 10 residues pruned to eliminate duplicates Z: 9 13.353 1.825 1.064 0.493 1.000 0.375 CB 1.262 9 residues pruned to eliminate duplicates Z: 14 8.718 1.750 0.633 0.356 0.846 0.538 CB 1.168 14 residues pruned to eliminate duplicates Z: 11 8.868 1.798 0.751 0.439 0.900 0.600 CB 1.054 11 residues pruned to eliminate duplicates Z: 28 17.244 1.737 0.674 0.523 0.852 0.556 CA 1.309 28 residues pruned to eliminate duplicates Z: 27 19.971 1.776 0.690 0.584 0.923 0.769 CB 1.304 27 residues pruned to eliminate duplicates Z: 26 18.613 1.759 0.573 0.574 0.880 0.520 CB 1.424 26 residues pruned to eliminate duplicates Z: 14 17.250 1.832 0.835 0.796 0.923 0.462 CA 1.189 14 residues pruned to eliminate duplicates Z: 16 17.574 1.719 0.670 0.744 0.933 0.400 CB 1.361 16 residues pruned to eliminate duplicates Z: 30 16.117 1.717 0.672 0.479 0.897 0.517 CB 1.188 30 residues pruned to eliminate duplicates Z: 41 15.801 1.775 0.694 0.432 0.725 0.375 CB 1.229 41 residues pruned to eliminate duplicates Z: 28 20.458 1.701 0.710 0.579 0.963 0.296 CA 1.303 28 residues pruned to eliminate duplicates Z: 14 14.328 1.766 0.728 0.747 0.769 0.385 N 1.357 14 residues pruned to eliminate duplicates Z: 26 17.290 1.823 0.521 0.562 0.880 0.440 CB 1.335 26 residues pruned to eliminate duplicates Z: 31 19.811 1.874 0.539 0.573 0.867 0.500 CB 1.349 31 residues pruned to eliminate duplicates Z: 13 15.192 1.757 0.776 0.764 0.833 0.000 CA 1.334 13 residues pruned to eliminate duplicates Z: 18 14.923 1.805 0.606 0.574 0.824 0.353 CB 1.411 18 residues pruned to eliminate duplicates Z: 28 19.330 1.808 0.632 0.539 0.889 0.481 CB 1.365 28 residues pruned to eliminate duplicates Z: 21 14.709 1.725 0.601 0.533 0.950 0.350 CB 1.214 21 residues pruned to eliminate duplicates Z: 16 12.355 1.810 0.682 0.623 0.667 0.133 CB 1.399 16 residues pruned to eliminate duplicates Z: 14 9.368 1.899 0.466 0.331 0.846 0.538 CB 1.327 14 residues pruned to eliminate duplicates Z: 24 13.611 1.854 0.594 0.424 0.739 0.522 CA 1.407 24 residues pruned to eliminate duplicates Z: 14 5.411 1.833 0.501 0.188 0.615 0.462 CB 1.289 14 residues pruned to eliminate duplicates Z: 15 9.613 1.902 0.408 0.454 0.714 0.429 CA 1.407 15 residues pruned to eliminate duplicates Z: 37 21.180 1.848 0.545 0.517 0.889 0.361 CB 1.368 37 residues pruned to eliminate duplicates Z: 12 10.593 1.913 0.207 0.481 1.000 0.636 CB 1.410 12 residues pruned to eliminate duplicates Z: 24 14.171 1.837 0.422 0.525 0.870 0.435 CA 1.269 24 residues pruned to eliminate duplicates Z: 14 9.069 1.935 0.496 0.404 0.769 0.308 CB 1.250 14 residues pruned to eliminate duplicates Z: 14 9.309 1.887 0.301 0.419 0.846 0.538 CB 1.352 14 residues pruned to eliminate duplicates Z: 11 11.605 2.007 0.405 0.478 0.900 0.700 CB 1.479 11 residues pruned to eliminate duplicates Z: 25 22.717 1.943 0.572 0.609 0.958 0.583 CA 1.428 25 residues pruned to eliminate duplicates Z: 23 9.319 1.837 0.428 0.348 0.773 0.409 CB 1.156 23 residues pruned to eliminate duplicates Z: 33 19.590 1.870 0.669 0.466 0.875 0.562 CA 1.313 33 residues pruned to eliminate duplicates Z: 20 12.489 1.913 0.383 0.387 0.895 0.579 CA 1.366 20 residues pruned to eliminate duplicates Z: 30 20.223 1.905 0.502 0.543 0.897 0.690 CA 1.404 30 residues pruned to eliminate duplicates Z: 40 26.296 1.914 0.628 0.618 0.846 0.462 CA 1.428 40 residues pruned to eliminate duplicates Z: 27 21.331 1.965 0.527 0.591 0.885 0.615 CB 1.445 27 residues pruned to eliminate duplicates Z: 23 26.632 2.009 0.650 0.664 0.955 0.500 CA 1.541 23 residues pruned to eliminate duplicates Z: 34 19.528 1.872 0.574 0.537 0.848 0.485 CB 1.311 34 residues pruned to eliminate duplicates Z: 25 21.658 1.994 0.547 0.622 0.875 0.542 CB 1.460 25 residues pruned to eliminate duplicates Z: 13 22.832 2.019 0.867 0.864 0.917 0.750 CB 1.398 13 residues pruned to eliminate duplicates Z: 25 23.673 1.995 0.684 0.634 0.875 0.500 CB 1.449 25 residues pruned to eliminate duplicates Z: 38 24.564 1.851 0.707 0.609 0.838 0.459 CB 1.376 38 residues pruned to eliminate duplicates 935 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 22 D: 7 E: 14 F: 20 G: 7 H: 30 I: 83 J: 19 K: 82 L: 60 M: 76 N: 62 O: 13 P: 53 Q: 19 R: 148 S: 19 T: 75 U: 58 V: 55 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 51.66 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.381, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.449, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.540, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.550, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.553, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.557, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.767 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.60 - 3.63 - 3.16 - 2.87 - 2.66 - 2.50 - 2.37 - 2.27 - 2.18 - 2.10 0.746 0.790 0.761 0.739 0.725 0.709 0.701 0.683 0.637 0.604 0.955 0.968 0.947 0.928 0.905 0.873 0.865 0.848 0.790 0.751 N 7020 7073 7127 6950 7109 7146 7244 6766 7227 6466 Estimated mean FOM = 0.710 Pseudo-free CC = 73.58 % Best trace (cycle 4 with CC 51.66%) was saved as ./2hx1-2.1-parrot-noncs/2hx1-2.1-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 12.4 - FFTs and peak-searches 29.6 - Sphere of influence 0.8 - Rest of density modification 0.0 - Alpha-helix search 2099.9 - Tripeptide search 13351.6 - Chain tracing 0.0 - NCS analysis 90.3 - B-value refinement for trace 0.4 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 03:10:43 Total time: 15585.74 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 261.48 Used memory is bytes: 24875504