++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:42:09 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.ins Phases from ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.phi Native data from ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.hkl Listing output to ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.lst Phases output to ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.phs Poly-Ala trace output to ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 58827 Reflections read from file ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.phi 58827 Reflections read from file ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.hkl 58827 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by 0.000114h^2 +0.000024k^2 -0.000104l^2 +0.000000kl +0.000087hl +0.000000hk 112 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 128 x 256 x 49 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.673 = 0.300, Contrast = 0.311, Connect. = 0.695 for dens.mod. cycle 1 = 0.300, Contrast = 0.393, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.474, Connect. = 0.735 for dens.mod. cycle 3 = 0.300, Contrast = 0.500, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.514, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.525, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.533, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.539, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.544, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.548, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4321 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1209 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 9.813 1.893 0.637 0.840 0.875 0.750 CB 0.955 B: 10 11.106 1.702 0.477 0.881 1.000 0.778 CA 1.066 C: 18 22.569 1.904 0.723 0.849 0.882 0.647 CB 1.402 D: 20 12.584 1.782 0.534 0.484 0.842 0.632 CB 1.275 E: 13 25.826 1.994 0.822 0.866 0.917 0.833 CB 1.639 15 residues pruned to eliminate duplicates F: 15 16.205 1.944 0.269 0.801 0.929 0.786 CB 1.453 15 residues pruned to eliminate duplicates G: 8 11.342 1.648 0.836 0.805 1.000 0.714 N 1.086 H: 13 11.449 1.726 0.488 0.702 0.917 0.750 CB 1.168 I: 7 6.689 1.571 0.536 0.822 0.833 0.500 N 1.027 J: 15 23.061 1.776 0.830 0.933 1.000 0.714 CB 1.323 K: 18 17.269 1.614 0.689 0.909 0.941 0.824 CB 1.159 L: 17 26.006 1.762 0.915 0.925 1.000 0.875 CA 1.352 M: 17 22.849 1.731 0.715 0.872 1.000 0.812 CB 1.402 15 residues pruned to eliminate duplicates N: 18 20.133 1.843 0.934 0.787 0.941 0.647 CB 1.130 18 residues pruned to eliminate duplicates O: 14 26.852 1.816 1.239 0.920 1.000 1.000 CA 1.290 P: 10 13.767 1.715 0.911 0.860 0.889 0.667 CB 1.158 Q: 8 4.346 1.810 1.076 0.845 1.000 0.571 CB 0.325 R: 15 20.161 1.765 0.817 0.795 1.000 0.714 CA 1.297 S: 21 18.781 1.730 0.817 0.783 0.950 0.800 CB 1.096 T: 8 4.312 1.516 0.829 0.337 0.571 0.286 CB 1.229 U: 13 12.475 1.715 0.415 0.875 1.000 0.833 CB 1.079 V: 16 16.150 1.661 0.734 0.908 0.933 0.733 CB 1.102 W: 15 21.748 1.776 0.731 0.896 1.000 0.714 CA 1.355 15 residues pruned to eliminate duplicates X: 10 9.373 1.805 0.841 0.760 0.889 0.556 CB 0.840 10 residues pruned to eliminate duplicates Y: 19 21.025 1.704 0.650 0.913 1.000 0.889 CB 1.247 17 residues pruned to eliminate duplicates Z: 11 8.569 1.683 0.467 0.497 0.800 0.600 CA 1.376 Z: 6 5.981 1.693 0.311 0.837 0.800 0.600 CA 1.126 Z: 25 10.574 1.777 0.558 0.413 0.708 0.542 CB 1.205 Z: 19 13.248 1.755 0.737 0.602 0.889 0.667 CB 1.046 8 residues pruned to eliminate duplicates Z: 12 13.104 1.789 0.440 0.924 1.000 0.909 CB 1.077 Z: 12 21.487 1.879 0.913 0.881 0.909 0.727 CB 1.435 12 residues pruned to eliminate duplicates Z: 15 18.180 1.817 0.760 0.878 1.000 0.857 CB 1.103 14 residues pruned to eliminate duplicates Z: 12 15.279 1.742 0.718 0.823 1.000 0.818 CB 1.163 9 residues pruned to eliminate duplicates Z: 16 15.485 1.651 0.588 0.888 0.933 0.800 CB 1.177 16 residues pruned to eliminate duplicates Z: 14 9.437 1.705 0.369 0.506 0.769 0.615 CB 1.449 Z: 9 8.765 1.474 0.790 0.816 0.875 0.750 CA 1.020 Z: 18 18.554 1.588 0.872 0.858 1.000 0.824 CB 1.115 Z: 9 7.250 1.544 0.614 0.790 0.750 0.500 CB 1.063 9 residues pruned to eliminate duplicates Z: 37 20.710 1.792 0.693 0.470 0.861 0.639 CB 1.362 41 residues pruned to eliminate duplicates Z: 15 18.856 1.739 0.569 0.911 1.000 0.857 CB 1.308 15 residues pruned to eliminate duplicates Z: 16 19.628 1.674 1.210 0.907 1.000 0.600 CB 0.973 16 residues pruned to eliminate duplicates Z: 18 21.042 1.620 0.741 0.902 1.000 0.765 CB 1.291 18 residues pruned to eliminate duplicates Z: 9 9.876 1.802 0.355 0.747 1.000 0.625 CB 1.147 8 residues pruned to eliminate duplicates Z: 10 10.527 1.834 0.381 0.737 0.889 0.778 CB 1.260 10 residues pruned to eliminate duplicates Z: 18 14.791 1.703 0.774 0.725 0.882 0.529 CB 1.099 18 residues pruned to eliminate duplicates Z: 15 15.354 1.756 0.394 0.899 1.000 0.929 CA 1.198 15 residues pruned to eliminate duplicates Z: 9 4.889 1.593 0.643 0.306 0.750 0.500 N 1.093 5 residues pruned to eliminate duplicates Z: 7 3.797 1.463 0.443 0.251 0.833 0.333 CB 1.174 Z: 20 23.021 1.927 0.729 0.708 0.895 0.579 CB 1.467 20 residues pruned to eliminate duplicates Z: 15 18.190 1.741 0.835 0.905 1.000 0.714 CB 1.083 13 residues pruned to eliminate duplicates Z: 14 12.097 1.700 0.406 0.904 0.923 0.846 CB 1.083 14 residues pruned to eliminate duplicates Z: 16 21.689 1.955 0.743 0.833 1.000 0.733 CB 1.234 16 residues pruned to eliminate duplicates Z: 13 12.141 1.726 0.806 0.871 0.917 0.667 CB 0.894 13 residues pruned to eliminate duplicates Z: 18 11.146 1.744 0.490 0.577 0.824 0.765 CB 1.172 18 residues pruned to eliminate duplicates Z: 8 5.830 1.621 0.725 0.447 0.714 0.571 CB 1.165 Z: 16 20.487 1.789 0.640 0.912 0.933 0.933 CB 1.368 7 residues pruned to eliminate duplicates Z: 14 20.685 1.788 0.648 0.902 1.000 0.923 CB 1.389 14 residues pruned to eliminate duplicates Z: 13 16.468 1.804 0.404 0.916 1.000 1.000 CB 1.325 18 residues pruned to eliminate duplicates Z: 13 12.058 1.671 0.515 0.886 0.917 0.833 CB 1.082 14 residues pruned to eliminate duplicates Z: 7 7.242 1.698 0.528 0.344 1.000 0.500 N 1.350 Z: 10 3.731 1.476 0.230 0.394 0.778 0.444 CB 0.985 Z: 10 5.841 1.806 0.303 0.728 0.889 0.889 CB 0.758 10 residues pruned to eliminate duplicates Z: 9 10.688 1.764 0.378 0.714 1.000 0.750 CB 1.281 9 residues pruned to eliminate duplicates Z: 16 21.950 1.767 0.785 0.883 0.933 0.933 CA 1.393 16 residues pruned to eliminate duplicates Z: 12 6.749 1.570 0.744 0.467 0.727 0.364 CB 1.056 8 residues pruned to eliminate duplicates Z: 12 4.703 1.464 0.198 0.389 0.909 0.364 CB 1.000 6 residues pruned to eliminate duplicates Z: 12 9.928 1.662 0.369 0.797 1.000 0.727 CA 1.014 10 residues pruned to eliminate duplicates Z: 17 22.180 1.693 0.760 0.910 0.938 0.875 CB 1.409 17 residues pruned to eliminate duplicates Z: 18 18.654 1.887 0.714 0.826 0.882 0.706 CB 1.195 18 residues pruned to eliminate duplicates Z: 8 7.500 1.633 0.550 0.855 1.000 0.286 CB 0.827 Z: 19 20.767 1.842 0.632 0.804 0.944 0.778 CB 1.322 19 residues pruned to eliminate duplicates Z: 15 9.406 1.746 0.519 0.396 0.857 0.286 CB 1.234 Z: 14 12.700 1.652 0.584 0.925 1.000 0.846 CB 0.945 11 residues pruned to eliminate duplicates Z: 7 5.851 1.751 0.247 0.669 0.667 0.500 O 1.404 7 residues pruned to eliminate duplicates Z: 15 14.280 1.774 0.506 0.883 0.929 0.786 CB 1.112 15 residues pruned to eliminate duplicates Z: 10 11.457 1.898 0.919 0.408 0.778 0.556 CB 1.486 14 residues pruned to eliminate duplicates Z: 10 5.198 1.702 0.113 0.630 0.889 0.556 CB 0.910 Z: 8 5.251 1.660 0.228 0.613 0.857 0.429 CB 1.021 8 residues pruned to eliminate duplicates Z: 10 7.721 1.590 0.240 0.824 0.889 0.778 CA 1.109 10 residues pruned to eliminate duplicates Z: 8 8.239 1.626 0.545 0.886 1.000 0.857 CB 0.894 8 residues pruned to eliminate duplicates Z: 10 10.512 1.530 0.619 0.863 0.889 0.889 CA 1.167 10 residues pruned to eliminate duplicates Z: 17 21.842 1.673 0.883 0.890 0.938 0.750 CA 1.330 16 residues pruned to eliminate duplicates Z: 9 10.781 1.605 0.825 0.904 1.000 0.750 CB 0.927 Z: 20 13.426 1.684 0.502 0.789 0.895 0.474 CB 1.056 Z: 15 14.843 1.631 0.689 0.849 1.000 0.714 CB 1.067 15 residues pruned to eliminate duplicates Z: 10 12.593 1.795 0.657 0.852 1.000 0.667 CB 1.043 Z: 7 9.084 1.547 0.770 0.810 0.833 0.667 CB 1.240 11 residues pruned to eliminate duplicates Z: 14 23.269 1.681 1.240 0.926 1.000 0.692 CB 1.202 13 residues pruned to eliminate duplicates Z: 18 18.925 1.563 0.679 0.875 1.000 0.824 CA 1.272 18 residues pruned to eliminate duplicates Z: 11 7.368 1.446 0.643 0.610 0.900 0.700 N 0.982 11 residues pruned to eliminate duplicates Z: 9 12.599 1.615 0.874 0.824 1.000 0.875 CA 1.112 11 residues pruned to eliminate duplicates Z: 16 18.539 1.696 0.632 0.912 0.933 0.867 CA 1.312 16 residues pruned to eliminate duplicates Z: 11 15.020 1.858 0.415 0.929 1.000 1.000 CB 1.264 11 residues pruned to eliminate duplicates Z: 9 5.932 1.616 0.409 0.868 1.000 0.500 CB 0.673 8 residues pruned to eliminate duplicates Z: 11 7.682 1.459 1.020 0.737 0.600 0.500 CB 1.110 Z: 8 8.703 1.583 0.794 0.796 1.000 0.714 CB 0.894 8 residues pruned to eliminate duplicates Z: 10 13.802 1.855 0.761 0.784 0.889 0.889 CB 1.234 10 residues pruned to eliminate duplicates Z: 8 6.960 1.719 0.217 0.679 1.000 1.000 CB 1.067 Z: 21 8.453 1.697 0.421 0.364 0.850 0.400 CB 1.067 Z: 18 16.200 1.723 0.681 0.806 0.941 0.824 CB 1.103 17 residues pruned to eliminate duplicates Z: 10 14.949 1.747 0.718 0.649 1.000 0.667 CB 1.445 10 residues pruned to eliminate duplicates Z: 8 7.313 1.825 0.049 0.853 1.000 0.571 CA 1.067 8 residues pruned to eliminate duplicates Z: 15 24.186 1.709 1.265 0.927 1.000 0.643 CB 1.170 14 residues pruned to eliminate duplicates Z: 14 6.742 1.672 0.519 0.249 0.769 0.385 CB 1.278 14 residues pruned to eliminate duplicates Z: 6 5.622 1.578 0.367 0.775 1.000 0.600 CB 0.914 6 residues pruned to eliminate duplicates Z: 17 15.707 1.627 0.542 0.858 1.000 0.750 CA 1.153 17 residues pruned to eliminate duplicates Z: 18 7.242 1.603 0.235 0.423 0.824 0.471 CB 1.168 18 residues pruned to eliminate duplicates Z: 17 20.768 1.662 1.007 0.903 0.938 0.562 CB 1.184 18 residues pruned to eliminate duplicates Z: 14 9.033 1.662 0.529 0.315 0.846 0.692 CA 1.429 14 residues pruned to eliminate duplicates Z: 22 21.646 1.896 0.561 0.651 1.000 0.714 CB 1.386 22 residues pruned to eliminate duplicates Z: 10 3.603 1.557 0.230 0.433 0.778 0.444 CB 0.865 10 residues pruned to eliminate duplicates Z: 16 21.402 1.747 1.003 0.943 1.000 1.000 CB 1.094 16 residues pruned to eliminate duplicates Z: 16 26.738 1.768 0.898 0.903 1.000 0.867 CA 1.467 18 residues pruned to eliminate duplicates Z: 13 12.649 1.664 0.272 0.925 1.000 1.000 CA 1.211 13 residues pruned to eliminate duplicates Z: 18 22.541 1.651 0.905 0.872 1.000 0.941 CA 1.267 17 residues pruned to eliminate duplicates Z: 17 19.707 1.641 0.527 0.927 1.000 0.875 CB 1.377 17 residues pruned to eliminate duplicates Z: 11 18.218 1.705 0.963 0.884 0.900 0.800 CA 1.382 11 residues pruned to eliminate duplicates Z: 23 17.505 1.767 0.741 0.628 0.818 0.636 CB 1.314 19 residues pruned to eliminate duplicates Z: 11 12.822 1.709 0.488 0.873 1.000 0.800 CA 1.161 12 residues pruned to eliminate duplicates Z: 8 11.669 1.813 0.318 0.900 1.000 1.000 CA 1.319 8 residues pruned to eliminate duplicates Z: 15 5.917 1.728 0.501 0.421 0.857 0.500 CB 0.772 Z: 15 20.990 1.819 0.870 0.926 1.000 0.929 CB 1.156 15 residues pruned to eliminate duplicates Z: 6 6.541 1.562 0.686 0.488 1.000 0.600 N 1.124 Z: 17 10.004 1.793 0.608 0.465 0.875 0.500 CB 1.027 Z: 13 16.562 1.749 0.602 0.893 1.000 0.750 CB 1.225 13 residues pruned to eliminate duplicates Z: 8 5.852 1.581 0.828 0.780 0.857 0.429 CB 0.697 8 residues pruned to eliminate duplicates Z: 17 18.537 1.933 0.449 0.795 0.875 0.688 CB 1.460 17 residues pruned to eliminate duplicates Z: 14 17.198 1.784 0.622 0.917 1.000 1.000 CA 1.163 14 residues pruned to eliminate duplicates Z: 12 13.024 1.794 0.924 0.768 0.909 0.364 CB 0.987 10 residues pruned to eliminate duplicates Z: 9 6.888 1.666 0.724 0.529 0.750 0.625 CB 1.099 Z: 10 3.914 1.604 0.184 0.338 0.778 0.444 CB 1.053 10 residues pruned to eliminate duplicates Z: 11 8.276 1.745 0.497 0.711 0.900 0.400 CB 0.919 11 residues pruned to eliminate duplicates Z: 11 11.364 1.843 0.542 0.548 1.000 0.600 CB 1.207 20 residues pruned to eliminate duplicates Z: 8 8.896 1.778 0.245 0.588 1.000 0.857 CB 1.396 8 residues pruned to eliminate duplicates Z: 9 5.834 1.647 0.340 0.632 0.750 0.750 CB 1.100 Z: 12 5.886 1.505 0.467 0.372 0.818 0.545 CA 1.126 12 residues pruned to eliminate duplicates Z: 10 11.762 1.626 0.582 0.827 1.000 0.667 CB 1.148 9 residues pruned to eliminate duplicates Z: 14 8.507 1.645 0.389 0.374 0.923 0.538 CA 1.279 9 residues pruned to eliminate duplicates 6 0.380 1.251 -0.180 0.296 0.800 0.400 CB 0.260 ? Z: 18 15.052 1.630 0.289 0.880 1.000 0.765 CA 1.259 18 residues pruned to eliminate duplicates Z: 9 3.297 1.682 -0.014 0.488 0.625 0.625 CB 1.139 9 residues pruned to eliminate duplicates Z: 15 19.573 1.678 0.684 0.907 1.000 0.786 CB 1.316 15 residues pruned to eliminate duplicates Z: 15 19.590 1.707 0.824 0.929 0.929 0.786 CB 1.268 15 residues pruned to eliminate duplicates Z: 15 20.468 1.822 0.812 0.925 1.000 0.857 CA 1.163 15 residues pruned to eliminate duplicates Z: 15 9.982 1.716 0.468 0.491 0.857 0.714 CB 1.246 15 residues pruned to eliminate duplicates Z: 7 3.314 1.473 0.892 0.363 0.500 0.500 CA 1.125 7 residues pruned to eliminate duplicates Z: 13 16.378 1.812 0.564 0.915 0.917 0.833 CA 1.287 13 residues pruned to eliminate duplicates 6 1.727 1.613 0.584 0.323 0.400 0.400 CB 0.918 ? Z: 9 7.565 1.723 0.284 0.477 0.875 0.750 CB 1.414 9 residues pruned to eliminate duplicates Z: 8 5.642 1.564 0.371 0.544 0.857 0.571 CB 1.111 Z: 11 12.703 1.706 0.853 0.860 1.000 0.600 CB 0.935 11 residues pruned to eliminate duplicates Z: 15 27.119 2.024 1.008 0.805 0.929 0.571 CB 1.472 15 residues pruned to eliminate duplicates Z: 10 7.757 1.563 0.472 0.468 0.889 0.667 CA 1.306 8 residues pruned to eliminate duplicates Z: 17 24.129 1.756 0.871 0.933 1.000 0.750 CB 1.281 17 residues pruned to eliminate duplicates Z: 11 15.613 1.853 1.037 0.528 1.000 0.600 CB 1.273 11 residues pruned to eliminate duplicates Z: 12 6.548 1.735 0.480 0.330 1.000 0.727 CB 0.926 Z: 14 9.675 1.814 0.831 0.575 1.000 0.462 CB 0.752 11 residues pruned to eliminate duplicates Z: 9 4.481 1.455 0.744 0.351 0.625 0.500 N 1.174 Z: 16 8.742 1.633 0.389 0.469 0.867 0.600 CB 1.184 Z: 12 12.197 1.642 0.446 0.876 1.000 0.455 CB 1.125 12 residues pruned to eliminate duplicates Z: 11 8.755 1.652 0.665 0.816 0.900 0.800 CB 0.850 11 residues pruned to eliminate duplicates Z: 10 7.005 1.652 0.493 0.558 0.889 0.667 CB 1.006 Z: 11 15.765 1.695 1.115 0.903 0.900 0.700 CB 1.101 Z: 14 10.014 1.653 0.495 0.519 0.846 0.692 CB 1.303 14 residues pruned to eliminate duplicates Z: 10 11.918 1.678 0.534 0.880 1.000 0.667 CB 1.118 Z: 17 24.673 1.816 0.849 0.886 0.938 0.812 CB 1.414 18 residues pruned to eliminate duplicates Z: 9 5.190 1.519 0.258 0.370 0.875 0.375 CA 1.261 4 residues pruned to eliminate duplicates Z: 8 11.296 1.645 0.762 0.582 1.000 0.714 CB 1.361 Z: 17 16.340 1.819 0.502 0.804 0.938 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 12 14.127 1.782 0.451 0.912 1.000 0.818 CA 1.166 12 residues pruned to eliminate duplicates Z: 7 6.056 1.556 0.692 0.798 1.000 0.833 CB 0.723 7 residues pruned to eliminate duplicates Z: 16 19.562 1.730 0.811 0.926 1.000 0.800 CB 1.130 16 residues pruned to eliminate duplicates Z: 19 12.759 1.792 0.741 0.443 0.889 0.556 CB 1.149 15 residues pruned to eliminate duplicates Z: 15 8.017 1.775 0.489 0.290 0.857 0.357 CB 1.197 15 residues pruned to eliminate duplicates Z: 6 8.124 1.761 0.550 0.655 1.000 0.800 CB 1.153 Z: 8 8.430 1.691 0.311 0.615 1.000 0.429 CA 1.289 Z: 19 9.225 1.775 0.713 0.375 0.889 0.667 CB 0.920 19 residues pruned to eliminate duplicates Z: 20 15.165 1.654 0.662 0.779 1.000 0.579 CB 0.989 20 residues pruned to eliminate duplicates Z: 12 11.001 1.658 0.481 0.895 1.000 0.909 CA 0.968 10 residues pruned to eliminate duplicates Z: 7 7.983 1.719 0.892 0.424 0.833 0.667 CA 1.302 16 residues pruned to eliminate duplicates Z: 18 25.682 1.659 1.341 0.944 0.941 0.765 CB 1.180 17 residues pruned to eliminate duplicates Z: 18 20.803 1.635 0.628 0.926 1.000 0.882 CB 1.329 17 residues pruned to eliminate duplicates Z: 21 13.444 1.712 0.602 0.724 0.850 0.750 CB 1.053 15 residues pruned to eliminate duplicates Z: 9 7.950 1.557 0.481 0.621 1.000 0.625 CB 1.087 6 residues pruned to eliminate duplicates Z: 18 18.011 1.621 0.844 0.794 1.000 0.412 CB 1.129 23 residues pruned to eliminate duplicates Z: 6 2.070 1.408 0.251 0.431 0.800 0.600 CB 0.706 Z: 17 21.963 1.689 0.862 0.922 0.938 0.875 CB 1.310 17 residues pruned to eliminate duplicates Z: 15 20.578 1.709 0.731 0.877 0.929 0.786 CB 1.454 15 residues pruned to eliminate duplicates Z: 6 6.527 1.596 0.347 0.654 1.000 0.400 CB 1.176 Z: 10 9.586 1.587 0.562 0.561 1.000 0.778 CB 1.216 Z: 8 2.752 1.451 0.731 0.213 0.571 0.429 CA 1.017 Z: 11 10.378 1.510 0.439 0.875 1.000 0.800 CB 1.098 11 residues pruned to eliminate duplicates Z: 10 9.217 1.824 0.306 0.882 1.000 0.667 CB 0.934 10 residues pruned to eliminate duplicates Z: 13 8.308 1.674 0.650 0.290 1.000 0.500 CB 1.099 12 residues pruned to eliminate duplicates Z: 18 24.388 1.721 0.801 0.907 1.000 0.824 CB 1.356 18 residues pruned to eliminate duplicates Z: 14 16.298 1.787 0.419 0.897 1.000 0.846 CB 1.276 14 residues pruned to eliminate duplicates Z: 19 14.327 1.716 0.444 0.802 1.000 0.778 CB 1.046 17 residues pruned to eliminate duplicates Z: 7 6.726 1.612 0.252 0.500 1.000 0.667 CB 1.361 7 residues pruned to eliminate duplicates Z: 14 19.206 1.751 0.771 0.922 1.000 0.846 CB 1.208 14 residues pruned to eliminate duplicates Z: 6 8.339 1.790 0.188 0.843 1.000 0.600 CB 1.305 6 residues pruned to eliminate duplicates Z: 9 10.189 1.762 1.129 0.786 0.875 0.625 CB 0.853 9 residues pruned to eliminate duplicates Z: 11 5.863 1.491 0.547 0.312 1.000 0.500 CB 0.990 Z: 11 6.480 1.573 0.279 0.405 1.000 0.600 CB 1.126 Z: 18 8.765 1.704 0.495 0.415 0.765 0.647 CB 1.192 17 residues pruned to eliminate duplicates Z: 18 14.100 1.643 0.378 0.906 0.941 0.765 CB 1.142 18 residues pruned to eliminate duplicates Z: 16 18.470 1.663 0.969 0.907 0.933 0.667 CB 1.109 16 residues pruned to eliminate duplicates Z: 15 15.686 1.684 0.605 0.870 0.929 0.786 CA 1.219 15 residues pruned to eliminate duplicates Z: 11 19.575 1.831 1.013 0.906 1.000 0.500 CB 1.195 11 residues pruned to eliminate duplicates Z: 10 9.766 1.865 0.837 0.467 0.778 0.556 CB 1.264 10 residues pruned to eliminate duplicates Z: 6 4.692 1.527 0.233 0.652 0.800 0.600 CA 1.209 Z: 20 18.474 1.630 0.975 0.766 0.947 0.737 CB 1.098 20 residues pruned to eliminate duplicates Z: 7 10.097 1.586 0.804 0.845 1.000 1.000 CB 1.071 Z: 10 6.721 1.582 0.204 0.912 1.000 0.889 CB 0.833 Z: 18 21.165 1.785 0.835 0.824 1.000 0.824 CB 1.184 18 residues pruned to eliminate duplicates Z: 21 15.766 1.752 0.595 0.763 0.950 0.500 CB 1.052 21 residues pruned to eliminate duplicates Z: 21 11.935 1.642 0.780 0.582 0.850 0.550 CB 0.993 18 residues pruned to eliminate duplicates Z: 9 3.657 1.572 0.177 0.312 0.875 0.500 CB 0.983 9 residues pruned to eliminate duplicates Z: 11 7.883 1.528 0.243 0.556 1.000 0.800 CA 1.243 Z: 25 18.423 1.796 0.744 0.715 0.917 0.833 CA 1.078 15 residues pruned to eliminate duplicates Z: 9 4.893 1.707 0.191 0.471 0.875 0.375 CB 1.001 9 residues pruned to eliminate duplicates Z: 9 6.910 1.578 0.821 0.614 0.750 0.625 CA 1.018 Z: 13 4.132 1.465 0.305 0.207 0.833 0.417 CB 1.059 Z: 13 14.005 1.659 0.506 0.911 1.000 0.917 CA 1.147 13 residues pruned to eliminate duplicates Z: 13 14.475 1.687 0.625 0.868 0.833 0.750 CB 1.337 13 residues pruned to eliminate duplicates Z: 15 19.957 1.744 0.686 0.922 0.929 0.929 CB 1.374 15 residues pruned to eliminate duplicates Z: 13 7.426 1.665 0.426 0.397 0.917 0.583 CB 1.098 9 residues pruned to eliminate duplicates Z: 17 27.372 1.799 1.029 0.904 1.000 0.750 CB 1.335 17 residues pruned to eliminate duplicates Z: 15 13.743 1.741 0.411 0.895 0.929 0.857 CB 1.155 15 residues pruned to eliminate duplicates Z: 18 20.161 1.597 1.079 0.919 0.882 0.412 CB 1.176 18 residues pruned to eliminate duplicates Z: 7 4.042 1.434 0.504 0.534 0.833 0.667 N 0.888 6 residues pruned to eliminate duplicates Z: 10 3.037 1.697 -0.008 0.238 0.778 0.444 CB 1.047 18 residues pruned to eliminate duplicates Z: 6 5.748 1.577 0.471 0.624 0.800 0.600 CB 1.232 Z: 6 5.871 1.362 0.601 0.821 1.000 1.000 CA 0.912 6 residues pruned to eliminate duplicates Z: 13 10.327 1.631 0.571 0.392 1.000 0.667 CB 1.305 10 residues pruned to eliminate duplicates Z: 14 18.434 1.821 0.633 0.899 0.923 0.846 CB 1.331 15 residues pruned to eliminate duplicates Z: 23 9.442 1.693 0.290 0.404 0.864 0.545 CB 1.181 15 residues pruned to eliminate duplicates Z: 7 2.109 1.572 0.336 0.191 0.667 0.333 CB 0.890 Z: 11 6.546 1.674 0.545 0.282 0.900 0.500 CB 1.137 11 residues pruned to eliminate duplicates Z: 11 12.957 1.676 0.929 0.868 1.000 0.800 CB 0.926 10 residues pruned to eliminate duplicates Z: 12 5.202 1.531 0.169 0.465 0.818 0.364 CB 1.110 12 residues pruned to eliminate duplicates Z: 30 13.822 1.777 0.502 0.471 0.862 0.621 CB 1.150 29 residues pruned to eliminate duplicates Z: 15 19.737 1.712 0.902 0.871 0.929 0.643 CB 1.273 15 residues pruned to eliminate duplicates Z: 7 4.687 1.613 0.163 0.563 0.833 0.667 CB 1.151 Z: 7 5.802 1.537 0.285 0.573 1.000 0.833 N 1.118 Z: 15 18.137 1.667 0.775 0.916 1.000 0.929 CB 1.157 15 residues pruned to eliminate duplicates Z: 6 5.714 1.530 0.409 0.656 0.800 0.600 CB 1.281 6 residues pruned to eliminate duplicates Z: 13 6.552 1.503 0.260 0.564 0.833 0.667 CB 1.127 Z: 16 12.480 1.732 0.262 0.820 1.000 0.867 CB 1.117 16 residues pruned to eliminate duplicates Z: 14 13.549 1.723 0.765 0.702 0.846 0.615 CB 1.215 14 residues pruned to eliminate duplicates Z: 7 3.973 1.501 0.636 0.221 0.833 0.500 N 1.099 Z: 14 22.209 1.796 0.684 0.903 1.000 0.769 CA 1.451 14 residues pruned to eliminate duplicates Z: 26 9.699 1.638 0.383 0.407 0.840 0.560 CB 1.124 17 residues pruned to eliminate duplicates Z: 16 6.802 1.545 0.377 0.295 0.867 0.600 CB 1.199 16 residues pruned to eliminate duplicates Z: 19 28.141 1.675 1.153 0.908 1.000 0.556 CB 1.306 20 residues pruned to eliminate duplicates Z: 18 23.158 1.724 0.632 0.876 1.000 0.765 CA 1.450 18 residues pruned to eliminate duplicates Z: 15 18.364 1.776 0.657 0.927 1.000 0.786 CA 1.169 15 residues pruned to eliminate duplicates Z: 9 8.873 1.696 0.534 0.824 1.000 0.750 CB 0.911 Z: 17 15.976 1.884 0.714 0.763 0.875 0.625 CB 1.119 17 residues pruned to eliminate duplicates Z: 6 3.679 1.433 0.185 0.497 1.000 0.800 CA 0.972 6 residues pruned to eliminate duplicates Z: 18 13.032 1.719 0.699 0.684 0.882 0.882 CB 1.036 18 residues pruned to eliminate duplicates Z: 17 15.970 1.678 0.656 0.798 0.875 0.562 CA 1.265 17 residues pruned to eliminate duplicates Z: 13 13.613 1.718 0.736 0.876 1.000 0.833 CB 0.957 13 residues pruned to eliminate duplicates Z: 12 6.149 1.428 0.580 0.901 1.000 0.727 CB 0.586 Z: 8 3.488 1.493 0.443 0.335 0.857 0.571 CB 0.855 Z: 10 3.968 1.394 0.523 0.265 0.778 0.444 CB 1.046 Z: 11 8.825 1.846 0.515 0.795 0.900 0.900 CB 0.856 11 residues pruned to eliminate duplicates Z: 8 4.994 1.408 0.839 0.383 0.714 0.714 CB 1.157 Z: 11 13.061 1.864 0.745 0.577 1.000 0.800 CB 1.179 11 residues pruned to eliminate duplicates Z: 6 2.638 1.461 0.496 0.330 0.800 0.800 CB 0.813 Z: 16 18.067 1.725 0.622 0.925 1.000 0.733 CA 1.170 16 residues pruned to eliminate duplicates Z: 12 12.895 1.755 0.447 0.918 1.000 0.909 CB 1.079 12 residues pruned to eliminate duplicates Z: 9 4.901 1.588 0.331 0.381 0.750 0.750 O 1.241 9 residues pruned to eliminate duplicates Z: 11 12.676 1.744 0.877 0.729 0.900 0.700 CB 1.107 11 residues pruned to eliminate duplicates Z: 15 17.735 1.754 0.534 0.910 0.929 0.714 CA 1.346 14 residues pruned to eliminate duplicates 8 1.782 1.422 0.362 0.256 0.429 0.429 CB 1.073 ? Z: 17 21.037 1.668 0.653 0.902 1.000 0.875 CA 1.361 16 residues pruned to eliminate duplicates Z: 12 6.868 1.576 0.583 0.544 0.909 0.818 CB 0.874 12 residues pruned to eliminate duplicates Z: 13 17.303 1.620 0.786 0.832 1.000 0.750 CB 1.297 13 residues pruned to eliminate duplicates Z: 10 5.089 1.561 0.542 0.268 0.778 0.667 N 1.180 10 residues pruned to eliminate duplicates Z: 6 6.182 1.474 0.433 0.847 1.000 1.000 CB 0.972 Z: 7 4.801 1.511 0.568 0.633 1.000 0.667 CB 0.731 Z: 18 11.156 1.578 0.415 0.687 0.941 0.647 CA 1.084 18 residues pruned to eliminate duplicates Z: 6 10.123 1.731 0.660 0.774 1.000 0.400 CA 1.237 Z: 6 6.011 1.551 0.232 0.828 1.000 0.600 CB 1.059 6 residues pruned to eliminate duplicates Z: 10 10.909 1.651 0.630 0.884 1.000 0.889 CB 0.976 10 residues pruned to eliminate duplicates Z: 10 11.634 1.684 0.429 0.900 1.000 0.778 CB 1.151 10 residues pruned to eliminate duplicates Z: 7 6.464 1.620 0.244 0.819 1.000 1.000 CB 0.992 Z: 6 3.132 1.595 0.168 0.326 0.800 0.400 CA 1.138 Z: 16 5.598 1.582 0.456 0.394 0.800 0.400 CB 0.877 16 residues pruned to eliminate duplicates Z: 20 11.274 1.785 0.525 0.462 0.842 0.526 CB 1.172 20 residues pruned to eliminate duplicates Z: 9 8.262 1.644 0.286 0.618 1.000 0.875 CB 1.237 11 residues pruned to eliminate duplicates Z: 22 9.751 1.758 0.543 0.418 0.810 0.571 CB 1.056 22 residues pruned to eliminate duplicates Z: 6 3.436 1.467 0.560 0.763 0.800 0.400 CB 0.664 Z: 10 7.280 1.562 0.701 0.461 1.000 0.556 CB 0.950 7 residues pruned to eliminate duplicates Z: 15 13.140 1.593 0.385 0.900 0.929 0.929 CA 1.225 15 residues pruned to eliminate duplicates Z: 11 8.774 1.651 0.660 0.447 0.900 0.600 CA 1.187 4 residues pruned to eliminate duplicates Z: 16 17.009 1.680 0.626 0.822 0.933 0.867 CA 1.303 16 residues pruned to eliminate duplicates Z: 7 3.584 1.179 0.415 0.626 0.833 0.500 N 0.934 Z: 10 11.412 1.671 0.528 0.874 0.889 0.778 CB 1.219 8 residues pruned to eliminate duplicates Z: 11 11.778 1.628 0.449 0.859 1.000 0.800 CB 1.162 10 residues pruned to eliminate duplicates Z: 11 3.088 1.702 0.578 0.202 0.500 0.300 CB 1.036 Z: 11 8.464 1.714 0.756 0.724 0.900 0.700 CB 0.808 11 residues pruned to eliminate duplicates Z: 18 19.469 1.782 0.694 0.813 0.941 0.824 CB 1.266 18 residues pruned to eliminate duplicates Z: 7 11.798 1.677 1.035 0.853 1.000 0.333 CA 1.044 7 residues pruned to eliminate duplicates Z: 8 3.394 1.317 0.215 0.494 0.857 0.571 CB 0.941 Z: 16 17.671 1.746 0.760 0.834 0.867 0.600 CB 1.284 18 residues pruned to eliminate duplicates Z: 18 6.911 1.522 0.636 0.327 0.765 0.471 CA 1.064 9 residues pruned to eliminate duplicates Z: 13 11.287 1.779 0.612 0.462 1.000 0.500 CB 1.181 13 residues pruned to eliminate duplicates Z: 8 2.837 1.568 0.365 0.407 0.857 0.571 CB 0.645 7 residues pruned to eliminate duplicates Z: 17 6.948 1.598 0.544 0.300 0.812 0.500 CB 1.082 18 residues pruned to eliminate duplicates Z: 10 8.421 1.618 0.592 0.853 1.000 0.667 CB 0.805 9 residues pruned to eliminate duplicates Z: 15 21.817 1.742 0.728 0.913 1.000 0.857 CA 1.371 15 residues pruned to eliminate duplicates Z: 7 7.590 1.316 0.796 0.719 1.000 0.667 CB 1.076 Z: 11 10.422 1.498 0.511 0.873 1.000 0.900 CB 1.061 Z: 13 11.844 1.708 0.451 0.911 1.000 0.833 CB 0.977 13 residues pruned to eliminate duplicates Z: 42 20.865 1.799 0.634 0.507 0.854 0.634 CB 1.289 41 residues pruned to eliminate duplicates Z: 9 3.831 1.521 0.402 0.391 0.750 0.500 CB 0.951 9 residues pruned to eliminate duplicates Z: 6 4.964 1.546 0.812 0.414 0.800 0.800 CA 1.084 Z: 11 4.704 1.479 0.531 0.346 0.800 0.400 N 0.970 Z: 14 7.261 1.658 0.338 0.451 0.923 0.615 CA 1.034 14 residues pruned to eliminate duplicates 6 0.195 1.195 0.561 0.164 0.600 0.600 N 0.117 ? Z: 17 19.132 1.690 0.630 0.792 1.000 0.750 CB 1.345 18 residues pruned to eliminate duplicates Z: 14 13.368 1.803 0.330 0.907 1.000 0.923 CA 1.099 14 residues pruned to eliminate duplicates Z: 14 19.750 1.600 1.235 0.814 0.923 0.462 CA 1.263 14 residues pruned to eliminate duplicates Z: 11 5.111 1.712 0.243 0.407 0.800 0.600 CB 1.046 13 residues pruned to eliminate duplicates Z: 16 6.461 1.574 0.460 0.323 0.867 0.333 CB 1.017 16 residues pruned to eliminate duplicates Z: 8 2.676 1.450 0.367 0.396 0.714 0.571 O 0.798 Z: 15 7.732 1.542 0.318 0.548 0.857 0.357 N 1.131 Z: 37 15.072 1.697 0.521 0.457 0.889 0.583 CB 1.144 37 residues pruned to eliminate duplicates Z: 11 11.695 1.693 0.422 0.852 1.000 0.700 CB 1.137 11 residues pruned to eliminate duplicates Z: 18 25.265 1.733 1.148 0.940 1.000 0.706 CB 1.143 18 residues pruned to eliminate duplicates Z: 8 2.926 1.516 0.347 0.214 0.714 0.429 CB 1.062 Z: 10 4.099 1.521 0.105 0.572 0.778 0.444 CB 0.975 Z: 8 2.659 1.390 0.197 0.428 0.571 0.286 N 1.139 Z: 17 22.723 1.670 1.041 0.927 1.000 0.500 CB 1.168 17 residues pruned to eliminate duplicates Z: 9 7.282 1.629 0.361 0.825 1.000 0.625 CB 0.877 9 residues pruned to eliminate duplicates Z: 10 3.079 1.511 -0.155 0.304 0.889 0.667 CB 1.123 Z: 7 3.339 1.574 0.173 0.388 0.833 0.333 CB 0.997 Z: 6 6.405 1.584 0.690 0.813 0.600 0.600 CA 1.359 6 residues pruned to eliminate duplicates Z: 18 25.252 1.668 1.007 0.887 1.000 0.882 CB 1.318 18 residues pruned to eliminate duplicates Z: 6 4.102 1.497 0.636 0.639 0.800 0.600 CB 0.822 Z: 20 17.462 1.693 0.600 0.760 0.895 0.684 CB 1.313 23 residues pruned to eliminate duplicates Z: 6 4.096 1.395 0.621 0.641 0.800 0.600 CB 0.888 Z: 19 14.878 1.755 0.753 0.553 0.889 0.667 CB 1.219 19 residues pruned to eliminate duplicates Z: 14 18.371 1.738 1.017 0.911 1.000 0.692 CB 1.030 14 residues pruned to eliminate duplicates Z: 17 19.438 1.646 0.682 0.887 0.938 0.812 CA 1.350 17 residues pruned to eliminate duplicates Z: 16 5.660 1.577 0.093 0.426 0.800 0.533 CB 1.144 8 residues pruned to eliminate duplicates Z: 6 7.178 1.562 0.208 0.863 1.000 0.800 N 1.248 6 residues pruned to eliminate duplicates Z: 7 5.777 1.576 -0.049 0.881 1.000 0.833 N 1.140 7 residues pruned to eliminate duplicates Z: 6 5.000 1.438 0.672 0.473 0.800 0.600 O 1.194 Z: 6 3.003 1.230 0.492 0.686 0.800 0.800 N 0.771 Z: 15 5.310 1.395 0.387 0.305 0.857 0.500 O 1.062 Z: 9 7.079 1.547 0.411 0.553 1.000 0.750 CB 1.090 9 residues pruned to eliminate duplicates 6 1.584 1.346 0.273 0.389 0.600 0.400 O 0.775 ? Z: 16 9.538 1.683 0.535 0.391 0.933 0.667 CA 1.146 14 residues pruned to eliminate duplicates Z: 9 4.531 1.541 0.731 0.239 0.750 0.375 N 1.084 9 residues pruned to eliminate duplicates Z: 10 9.026 1.650 0.796 0.495 0.889 0.667 CB 1.148 12 residues pruned to eliminate duplicates Z: 8 4.116 1.424 0.163 0.444 0.857 0.714 CB 1.161 Z: 6 2.483 1.539 -0.285 0.501 1.000 0.600 CB 1.008 Z: 19 9.419 1.708 0.561 0.390 0.833 0.500 CB 1.123 18 residues pruned to eliminate duplicates Z: 11 13.343 1.703 0.715 0.834 1.000 0.600 CB 1.083 11 residues pruned to eliminate duplicates Z: 7 8.712 1.611 0.564 0.756 1.000 0.833 CA 1.124 7 residues pruned to eliminate duplicates Z: 26 15.581 1.708 0.718 0.487 0.840 0.480 CA 1.281 29 residues pruned to eliminate duplicates Z: 6 15.176 1.731 1.065 0.880 1.000 0.600 CB 1.376 6 residues pruned to eliminate duplicates Z: 14 2.323 1.386 0.208 0.124 0.615 0.308 CB 1.001 Z: 16 4.711 1.453 0.324 0.318 0.733 0.533 CB 1.054 Z: 12 9.809 1.753 0.805 0.461 0.909 0.636 CB 1.069 12 residues pruned to eliminate duplicates Z: 6 2.095 1.359 0.188 0.456 0.800 0.400 CB 0.759 Z: 7 3.043 1.480 0.233 0.439 0.833 0.667 CB 0.871 Z: 14 12.692 1.644 0.493 0.925 1.000 0.846 CB 1.007 14 residues pruned to eliminate duplicates Z: 7 7.217 1.576 0.508 0.806 1.000 0.667 CB 0.950 7 residues pruned to eliminate duplicates Z: 7 2.969 1.653 0.436 0.377 0.833 0.667 CB 0.699 8 residues pruned to eliminate duplicates 6 1.428 1.127 0.701 0.257 0.800 0.400 CB 0.550 ? Z: 11 5.798 1.758 0.471 0.234 0.800 0.700 CA 1.208 11 residues pruned to eliminate duplicates Z: 8 4.886 1.335 0.796 0.389 0.857 0.429 CA 1.012 Z: 8 7.385 1.590 0.351 0.791 1.000 0.714 CB 1.007 9 residues pruned to eliminate duplicates Z: 14 18.772 1.786 0.591 0.909 1.000 0.846 CA 1.300 14 residues pruned to eliminate duplicates Z: 6 2.471 1.397 0.666 0.298 0.600 0.400 N 0.991 Z: 13 6.125 1.639 0.395 0.346 0.833 0.583 CB 1.097 13 residues pruned to eliminate duplicates Z: 14 6.910 1.496 0.734 0.393 0.846 0.615 CB 0.978 3 residues pruned to eliminate duplicates Z: 29 15.852 1.711 0.516 0.557 0.893 0.536 CA 1.224 39 residues pruned to eliminate duplicates Z: 13 17.729 1.810 0.622 0.846 1.000 0.583 CB 1.295 13 residues pruned to eliminate duplicates Z: 8 4.101 1.578 0.838 0.265 0.714 0.571 CB 0.978 Z: 7 8.911 1.622 0.754 0.870 1.000 0.667 CA 0.933 7 residues pruned to eliminate duplicates Z: 21 24.849 1.627 0.887 0.901 1.000 0.800 CA 1.292 21 residues pruned to eliminate duplicates Z: 6 3.837 1.510 0.461 0.249 1.000 0.400 O 1.038 Z: 7 4.424 1.501 0.301 0.401 1.000 0.500 CB 1.027 7 residues pruned to eliminate duplicates Z: 21 10.018 1.670 0.575 0.449 0.800 0.500 CA 1.122 10 residues pruned to eliminate duplicates 7 1.819 1.303 0.496 0.434 0.833 0.500 CB 0.490 ? Z: 6 2.903 1.447 0.257 0.294 0.800 0.600 N 1.123 Z: 6 2.602 1.327 0.155 0.753 0.600 0.600 CB 1.009 6 residues pruned to eliminate duplicates Z: 14 12.846 1.654 0.344 0.893 1.000 0.923 CA 1.151 14 residues pruned to eliminate duplicates Z: 10 6.599 1.633 0.634 0.433 0.778 0.556 CB 1.136 10 residues pruned to eliminate duplicates Z: 7 6.325 1.415 0.948 0.633 0.833 0.667 CB 0.992 Z: 7 5.230 1.596 -0.023 0.551 1.000 0.500 CB 1.303 Z: 8 8.586 1.751 0.362 0.554 1.000 0.857 CB 1.291 10 residues pruned to eliminate duplicates Z: 10 12.895 1.634 0.807 0.906 1.000 0.889 CB 1.035 10 residues pruned to eliminate duplicates Z: 7 3.961 1.759 0.121 0.211 0.833 0.333 CB 1.383 7 residues pruned to eliminate duplicates Z: 9 6.997 1.728 0.227 0.469 0.875 0.625 CB 1.376 9 residues pruned to eliminate duplicates Z: 11 3.485 1.589 0.364 0.234 0.800 0.400 CB 0.866 11 residues pruned to eliminate duplicates Z: 9 3.424 1.535 -0.013 0.358 1.000 0.500 CB 0.932 Z: 13 11.289 1.688 0.349 0.903 1.000 0.917 CB 1.020 13 residues pruned to eliminate duplicates Z: 6 4.071 1.411 0.211 0.621 0.800 0.600 CA 1.188 6 residues pruned to eliminate duplicates Z: 8 4.993 1.508 0.098 0.836 1.000 1.000 CB 0.853 6 residues pruned to eliminate duplicates Z: 10 6.596 1.534 0.630 0.572 0.778 0.667 CB 1.055 8 residues pruned to eliminate duplicates Z: 10 7.654 1.560 0.510 0.855 1.000 0.778 CB 0.799 10 residues pruned to eliminate duplicates Z: 7 3.828 1.499 0.585 0.423 0.667 0.500 CB 1.069 Z: 12 10.169 1.528 0.479 0.861 1.000 0.636 CB 0.997 12 residues pruned to eliminate duplicates Z: 11 4.278 1.579 0.191 0.207 0.900 0.400 CB 1.130 11 residues pruned to eliminate duplicates Z: 12 3.682 1.568 -0.027 0.367 0.909 0.545 CB 0.923 13 residues pruned to eliminate duplicates Z: 8 3.553 1.502 0.271 0.820 0.857 0.714 CB 0.621 8 residues pruned to eliminate duplicates 9 1.530 1.404 0.162 0.214 0.500 0.250 CB 0.930 ? Z: 6 5.214 1.126 0.856 0.865 1.000 0.800 CB 0.817 Z: 18 12.163 1.617 0.817 0.894 0.941 0.706 CB 0.765 18 residues pruned to eliminate duplicates Z: 13 4.772 1.511 0.382 0.345 0.667 0.417 N 1.171 12 residues pruned to eliminate duplicates Z: 22 10.374 1.662 0.670 0.631 0.810 0.571 CB 0.891 22 residues pruned to eliminate duplicates Z: 6 2.010 1.660 -0.182 0.525 0.800 0.800 CB 0.807 Z: 9 2.648 1.313 0.244 0.300 0.875 0.500 CB 0.819 Z: 8 4.389 1.590 0.110 0.392 0.857 0.429 CB 1.229 Z: 6 4.587 1.580 0.759 0.468 0.600 0.400 CA 1.271 Z: 11 8.222 1.607 0.466 0.582 0.800 0.800 CA 1.274 11 residues pruned to eliminate duplicates Z: 11 8.639 1.541 0.507 0.878 0.900 0.600 CB 0.949 11 residues pruned to eliminate duplicates Z: 11 13.009 1.698 0.680 0.872 0.900 0.700 CB 1.168 11 residues pruned to eliminate duplicates Z: 6 3.412 1.570 0.099 0.351 1.000 0.600 CB 1.039 Z: 6 4.923 1.446 0.689 0.666 0.800 0.800 N 0.966 6 residues pruned to eliminate duplicates Z: 10 6.631 1.762 0.175 0.734 0.889 0.667 CB 0.973 10 residues pruned to eliminate duplicates Z: 9 12.839 1.527 0.838 0.828 1.000 0.375 CA 1.218 9 residues pruned to eliminate duplicates Z: 9 2.579 1.387 0.134 0.438 0.750 0.500 CB 0.824 7 residues pruned to eliminate duplicates Z: 9 2.689 1.352 0.250 0.399 0.750 0.500 N 0.834 Z: 7 4.514 1.562 0.506 0.441 1.000 0.833 CB 0.833 7 residues pruned to eliminate duplicates Z: 9 8.609 1.564 0.359 0.775 1.000 0.500 CA 1.123 Z: 7 3.510 1.453 0.352 0.363 0.833 0.500 N 1.015 Z: 15 16.528 1.717 0.715 0.875 0.929 0.786 CB 1.176 15 residues pruned to eliminate duplicates Z: 20 17.905 1.838 0.824 0.711 0.789 0.368 CB 1.281 20 residues pruned to eliminate duplicates Z: 13 8.653 1.836 0.710 0.431 0.833 0.667 CB 1.025 13 residues pruned to eliminate duplicates Z: 10 8.380 1.615 0.897 0.800 0.889 0.667 CB 0.789 10 residues pruned to eliminate duplicates Z: 17 9.753 1.839 0.505 0.333 0.812 0.438 CB 1.302 17 residues pruned to eliminate duplicates Z: 16 10.586 1.699 0.861 0.448 0.933 0.733 CB 0.978 18 residues pruned to eliminate duplicates Z: 13 9.795 1.593 0.638 0.438 0.917 0.500 CB 1.261 13 residues pruned to eliminate duplicates Z: 8 7.794 1.604 0.168 0.645 1.000 0.857 CB 1.374 8 residues pruned to eliminate duplicates Z: 6 4.204 1.269 0.745 0.478 0.800 0.600 CB 1.085 Z: 6 3.159 1.223 0.427 0.562 0.800 0.600 CA 0.953 Z: 6 6.834 1.589 0.387 0.589 1.000 0.600 CB 1.274 5 residues pruned to eliminate duplicates Z: 9 3.171 1.517 0.179 0.230 0.875 0.500 CB 0.982 Z: 6 4.274 1.432 0.279 0.860 1.000 0.800 CB 0.768 Z: 11 12.732 1.624 0.946 0.769 0.800 0.600 CB 1.254 11 residues pruned to eliminate duplicates Z: 9 8.959 1.606 0.627 0.634 0.875 0.500 N 1.222 18 residues pruned to eliminate duplicates Z: 17 16.955 1.632 0.959 0.875 0.938 0.688 CB 1.028 17 residues pruned to eliminate duplicates Z: 11 8.303 1.561 0.801 0.858 0.900 0.700 CB 0.764 11 residues pruned to eliminate duplicates Z: 11 8.777 1.737 0.510 0.761 0.800 0.600 CB 1.049 11 residues pruned to eliminate duplicates Z: 9 4.975 1.434 0.249 0.506 0.875 0.500 CB 1.116 Z: 14 3.748 1.398 0.749 0.276 0.538 0.462 CB 1.018 Z: 15 22.579 1.686 1.041 0.885 0.929 0.643 CA 1.364 15 residues pruned to eliminate duplicates Z: 14 11.108 1.684 0.766 0.411 0.846 0.462 CB 1.344 14 residues pruned to eliminate duplicates Z: 17 8.335 1.725 0.671 0.341 0.812 0.438 CB 1.058 17 residues pruned to eliminate duplicates Z: 18 21.300 1.607 0.913 0.885 0.941 0.412 CB 1.289 18 residues pruned to eliminate duplicates Z: 6 6.740 1.480 1.207 0.784 0.800 0.600 CB 0.899 5 residues pruned to eliminate duplicates Z: 12 9.149 1.384 0.755 0.898 0.909 0.545 CB 0.894 11 residues pruned to eliminate duplicates Z: 15 7.213 1.732 0.083 0.311 0.929 0.357 N 1.365 15 residues pruned to eliminate duplicates Z: 7 7.521 1.454 0.943 0.444 1.000 0.500 CB 1.151 12 residues pruned to eliminate duplicates Z: 16 6.612 1.559 0.635 0.385 0.733 0.600 CB 1.032 11 residues pruned to eliminate duplicates Z: 6 2.876 1.289 0.513 0.437 0.800 0.600 CB 0.880 Z: 7 3.145 1.417 0.754 0.347 0.833 0.333 CB 0.732 Z: 10 13.025 1.660 0.692 0.881 0.889 0.889 CB 1.259 10 residues pruned to eliminate duplicates Z: 12 11.180 1.587 0.802 0.813 0.818 0.727 CB 1.097 12 residues pruned to eliminate duplicates Z: 8 7.163 1.394 0.473 0.790 0.857 0.714 O 1.192 8 residues pruned to eliminate duplicates Z: 7 3.622 1.342 0.465 0.368 1.000 0.333 CA 0.867 11 residues pruned to eliminate duplicates Z: 7 2.694 1.044 0.788 0.654 0.833 0.500 N 0.613 Z: 7 2.853 1.364 0.465 0.254 0.833 0.500 N 0.928 Z: 24 9.279 1.686 0.724 0.371 0.870 0.565 CB 0.880 39 residues pruned to eliminate duplicates Z: 10 4.910 1.345 0.616 0.293 1.000 0.444 CB 0.949 Z: 13 11.558 1.616 0.575 0.546 0.917 0.500 N 1.367 8 residues pruned to eliminate duplicates Z: 8 5.285 1.803 0.313 0.452 0.857 0.857 CB 1.035 8 residues pruned to eliminate duplicates Z: 21 14.324 1.644 0.378 0.723 0.950 0.750 CB 1.217 21 residues pruned to eliminate duplicates Z: 6 3.691 1.333 0.429 0.642 0.800 0.600 CA 0.949 3 residues pruned to eliminate duplicates Z: 10 3.050 1.544 0.272 0.328 0.778 0.333 CB 0.804 5 residues pruned to eliminate duplicates Z: 12 13.096 1.757 0.610 0.629 0.909 0.455 CA 1.360 12 residues pruned to eliminate duplicates Z: 6 2.078 1.286 0.442 0.382 1.000 0.400 N 0.568 Z: 7 10.160 1.581 0.808 0.857 1.000 0.667 CA 1.070 7 residues pruned to eliminate duplicates Z: 6 2.872 1.540 0.396 0.296 0.800 0.600 CB 0.938 Z: 7 6.166 1.705 -0.101 0.657 1.000 0.667 O 1.418 Z: 14 8.377 1.719 0.410 0.391 0.923 0.385 CB 1.166 14 residues pruned to eliminate duplicates Z: 11 14.885 1.828 0.491 0.736 1.000 0.900 CA 1.398 11 residues pruned to eliminate duplicates Z: 6 2.791 1.312 0.327 0.435 0.800 0.800 N 0.958 7 residues pruned to eliminate duplicates Z: 14 20.086 1.718 1.222 0.896 0.923 0.462 CB 1.133 14 residues pruned to eliminate duplicates Z: 14 27.233 1.729 1.381 0.942 1.000 0.769 CB 1.272 13 residues pruned to eliminate duplicates Z: 11 7.746 1.551 0.868 0.450 0.900 0.700 CB 0.989 9 residues pruned to eliminate duplicates Z: 6 4.626 1.634 0.146 0.557 1.000 0.400 CB 1.045 Z: 7 2.700 1.189 0.338 0.350 0.833 0.500 O 0.978 Z: 15 10.854 1.677 0.482 0.457 0.929 0.643 CB 1.314 15 residues pruned to eliminate duplicates Z: 17 23.477 1.710 0.665 0.940 1.000 0.938 CB 1.432 17 residues pruned to eliminate duplicates Z: 6 5.941 1.461 0.930 0.736 1.000 0.800 CB 0.763 Z: 8 5.579 1.465 0.520 0.665 1.000 0.857 CB 0.813 5 residues pruned to eliminate duplicates Z: 8 11.524 1.554 0.583 0.849 1.000 0.857 CA 1.312 6 residues pruned to eliminate duplicates Z: 7 6.312 1.424 0.585 0.689 0.833 0.500 CB 1.152 Z: 7 3.762 1.499 0.257 0.488 0.833 0.500 CB 0.990 Z: 16 18.702 1.702 0.623 0.903 1.000 0.800 CB 1.246 16 residues pruned to eliminate duplicates Z: 20 6.239 1.717 0.391 0.293 0.737 0.421 CB 1.025 20 residues pruned to eliminate duplicates Z: 25 21.874 1.693 1.001 0.716 0.875 0.583 CB 1.239 25 residues pruned to eliminate duplicates 6 1.059 1.269 0.359 0.698 0.800 0.600 CB 0.286 ? Z: 25 16.919 1.775 0.577 0.656 0.917 0.625 CB 1.164 25 residues pruned to eliminate duplicates Z: 7 2.853 1.303 0.986 0.248 0.667 0.167 O 0.902 Z: 7 2.003 1.212 0.233 0.247 0.667 0.500 C 1.098 Z: 7 4.779 1.521 0.358 0.702 1.000 0.833 CA 0.786 7 residues pruned to eliminate duplicates Z: 8 3.343 1.703 0.184 0.531 0.571 0.571 CB 1.064 8 residues pruned to eliminate duplicates Z: 11 3.875 1.437 0.546 0.242 0.800 0.400 CB 0.929 11 residues pruned to eliminate duplicates Z: 9 7.378 1.502 0.683 0.811 1.000 0.875 CB 0.788 Z: 9 9.603 1.429 0.329 0.895 1.000 0.875 CB 1.281 8 residues pruned to eliminate duplicates Z: 10 5.961 1.778 0.234 0.543 0.778 0.667 CA 1.117 10 residues pruned to eliminate duplicates Z: 7 4.349 1.512 0.393 0.374 0.833 0.333 CB 1.157 7 residues pruned to eliminate duplicates 8 1.376 1.404 0.247 0.331 0.714 0.571 CB 0.500 ? Z: 16 15.204 1.661 0.680 0.810 0.867 0.800 CB 1.239 16 residues pruned to eliminate duplicates Z: 7 10.762 1.673 0.513 0.807 1.000 0.667 CB 1.328 7 residues pruned to eliminate duplicates Z: 9 3.206 1.460 0.551 0.296 0.750 0.375 CB 0.839 9 residues pruned to eliminate duplicates Z: 24 17.061 1.659 0.603 0.648 0.913 0.652 CA 1.276 24 residues pruned to eliminate duplicates Z: 12 11.162 1.665 0.732 0.532 0.909 0.636 CB 1.243 13 residues pruned to eliminate duplicates Z: 8 3.718 1.536 0.536 0.212 0.714 0.571 CA 1.170 Z: 6 3.149 1.530 0.702 0.288 0.800 0.400 CB 0.858 6 residues pruned to eliminate duplicates Z: 7 5.294 1.387 0.713 0.393 1.000 0.833 CB 1.019 Z: 9 3.290 1.484 0.959 0.291 0.625 0.625 CB 0.810 Z: 25 10.690 1.587 0.470 0.420 0.917 0.458 CB 1.110 25 residues pruned to eliminate duplicates Z: 11 8.701 1.875 0.367 0.851 0.900 0.700 CB 0.883 11 residues pruned to eliminate duplicates Z: 6 2.187 1.267 0.502 0.296 0.600 0.400 N 1.077 Z: 12 8.780 1.655 0.419 0.706 0.727 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 19 6.172 1.515 0.332 0.301 0.833 0.389 CB 1.079 25 residues pruned to eliminate duplicates Z: 11 8.995 1.553 0.306 0.910 0.900 0.900 CB 1.105 11 residues pruned to eliminate duplicates Z: 7 3.257 1.370 0.480 0.831 0.833 0.833 CB 0.591 5 residues pruned to eliminate duplicates Z: 7 3.551 1.517 0.732 0.307 0.667 0.167 CA 1.025 Z: 11 2.919 1.636 0.283 0.211 0.700 0.600 CB 0.883 11 residues pruned to eliminate duplicates Z: 10 6.955 1.526 0.296 0.922 1.000 0.889 CB 0.825 10 residues pruned to eliminate duplicates Z: 12 8.349 1.635 0.459 0.808 1.000 0.727 CB 0.807 12 residues pruned to eliminate duplicates 6 1.396 1.578 0.311 0.232 0.600 0.400 CB 0.687 ? Z: 23 19.071 1.684 0.752 0.735 0.909 0.591 CA 1.227 23 residues pruned to eliminate duplicates Z: 10 9.436 1.659 0.637 0.819 0.778 0.444 CB 1.129 10 residues pruned to eliminate duplicates Z: 10 5.543 1.506 0.108 0.652 0.889 0.667 CB 1.082 Z: 6 7.490 1.493 1.064 0.671 0.800 0.800 CA 1.160 6 residues pruned to eliminate duplicates Z: 18 15.201 1.564 0.533 0.835 0.941 0.882 CA 1.225 18 residues pruned to eliminate duplicates Z: 10 11.360 1.628 0.701 0.752 0.889 0.889 N 1.228 10 residues pruned to eliminate duplicates Z: 10 4.248 1.472 0.426 0.381 0.667 0.556 CA 1.149 Z: 14 17.766 1.769 0.882 0.881 1.000 0.846 CB 1.072 14 residues pruned to eliminate duplicates Z: 9 9.921 1.516 0.914 0.830 0.875 0.625 CB 1.038 Z: 10 2.030 1.218 0.457 0.363 0.778 0.333 N 0.568 Z: 7 9.644 1.624 0.751 0.636 0.833 0.667 O 1.462 8 residues pruned to eliminate duplicates Z: 6 4.123 1.183 0.462 0.700 1.000 0.600 CA 0.889 6 1.291 0.999 0.255 0.300 0.800 0.600 C 0.720 ? Z: 18 22.704 1.627 0.878 0.918 0.941 0.824 CB 1.351 18 residues pruned to eliminate duplicates Z: 6 5.291 1.385 0.611 0.644 0.800 0.600 CB 1.159 7 residues pruned to eliminate duplicates Z: 6 3.404 1.358 0.560 0.314 0.800 0.600 CB 1.104 Z: 11 3.097 1.289 0.386 0.342 0.700 0.400 N 0.931 11 residues pruned to eliminate duplicates 7 1.589 1.235 0.448 0.559 0.500 0.333 CB 0.685 ? Z: 12 10.901 1.811 0.354 0.802 1.000 0.818 CB 1.030 12 residues pruned to eliminate duplicates Z: 7 4.258 1.609 -0.046 0.516 0.833 0.500 O 1.339 7 residues pruned to eliminate duplicates Z: 9 5.512 1.568 0.579 0.372 0.875 0.750 CA 1.031 9 residues pruned to eliminate duplicates Z: 11 3.871 1.433 0.369 0.288 0.800 0.400 CB 0.989 9 residues pruned to eliminate duplicates Z: 9 11.229 1.639 0.596 0.712 1.000 0.875 CA 1.252 9 residues pruned to eliminate duplicates Z: 6 10.958 1.798 0.587 0.861 1.000 0.600 N 1.262 Z: 14 20.109 1.748 1.196 0.906 1.000 0.538 CB 1.033 14 residues pruned to eliminate duplicates Z: 8 5.090 1.461 0.219 0.574 1.000 0.571 CB 1.006 Z: 7 2.465 1.259 0.559 0.853 0.833 0.833 CB 0.455 Z: 8 2.056 1.072 0.535 0.346 0.857 0.714 N 0.652 Z: 14 7.437 1.482 0.581 0.282 0.923 0.308 CB 1.219 Z: 13 3.825 1.642 0.294 0.240 0.667 0.333 CB 1.054 7 residues pruned to eliminate duplicates 6 1.763 1.224 0.084 0.287 0.800 0.600 CB 0.944 ? Z: 11 7.178 1.617 0.384 0.630 0.900 0.800 CB 0.998 11 residues pruned to eliminate duplicates Z: 23 12.883 1.715 0.451 0.450 0.864 0.636 CB 1.345 29 residues pruned to eliminate duplicates Z: 7 6.201 1.465 0.735 0.608 0.833 0.667 CA 1.078 Z: 16 5.260 1.565 0.408 0.474 0.800 0.533 CB 0.791 16 residues pruned to eliminate duplicates Z: 22 14.605 1.609 0.801 0.675 0.857 0.429 CB 1.092 22 residues pruned to eliminate duplicates Z: 10 4.054 1.538 0.237 0.376 0.889 0.667 CB 0.912 10 residues pruned to eliminate duplicates Z: 13 4.128 1.434 0.246 0.203 0.833 0.167 N 1.138 13 residues pruned to eliminate duplicates Z: 6 4.929 1.513 0.198 0.864 1.000 1.000 CB 0.891 6 residues pruned to eliminate duplicates 7 1.989 1.209 0.143 0.416 0.833 0.333 CB 0.769 ? Z: 12 4.688 1.414 0.412 0.323 0.818 0.545 CB 1.052 6 residues pruned to eliminate duplicates Z: 6 3.204 1.568 0.102 0.716 0.800 0.600 CB 0.853 Z: 14 14.136 1.580 0.785 0.638 1.000 0.692 CA 1.221 14 residues pruned to eliminate duplicates Z: 28 18.002 1.781 0.514 0.603 0.889 0.630 CA 1.310 31 residues pruned to eliminate duplicates Z: 10 7.451 1.559 0.412 0.895 1.000 0.889 CB 0.809 10 residues pruned to eliminate duplicates Z: 10 8.665 1.764 0.379 0.446 1.000 0.556 CB 1.255 10 residues pruned to eliminate duplicates Z: 7 3.853 1.341 0.377 0.418 0.833 0.500 N 1.114 Z: 6 6.857 1.475 0.469 0.714 1.000 0.800 CA 1.166 7 residues pruned to eliminate duplicates Z: 7 8.062 1.659 0.815 0.506 0.833 0.833 CB 1.303 Z: 17 4.204 1.571 0.397 0.269 0.625 0.375 CB 0.996 Z: 9 4.174 1.434 0.581 0.324 0.875 0.500 CB 0.902 Z: 7 3.373 1.273 0.217 0.544 0.833 0.667 N 1.022 Z: 13 5.834 1.632 0.507 0.504 0.667 0.333 CB 1.022 13 residues pruned to eliminate duplicates Z: 7 2.237 1.494 0.202 0.478 0.833 0.667 CB 0.624 Z: 8 3.550 1.606 0.120 0.401 1.000 0.571 CB 0.828 8 residues pruned to eliminate duplicates Z: 11 2.868 1.452 0.167 0.165 0.700 0.300 N 1.151 11 residues pruned to eliminate duplicates Z: 14 20.336 1.727 1.196 0.905 1.000 0.615 CB 1.059 14 residues pruned to eliminate duplicates Z: 7 3.580 1.377 0.181 0.565 0.833 0.167 CB 1.012 Z: 9 4.823 1.367 0.279 0.615 1.000 0.500 CB 0.874 9 residues pruned to eliminate duplicates Z: 7 11.774 1.616 0.685 0.802 1.000 0.833 O 1.356 6 1.160 1.166 0.291 0.120 0.600 0.200 N 0.926 ? Z: 6 2.107 1.428 0.121 0.455 1.000 0.800 CB 0.616 Z: 11 12.971 1.598 0.549 0.882 1.000 0.700 CA 1.199 11 residues pruned to eliminate duplicates Z: 8 4.783 1.446 0.587 0.453 0.857 0.714 N 0.965 8 residues pruned to eliminate duplicates Z: 7 3.055 1.375 0.368 0.288 0.833 0.333 CA 1.010 7 residues pruned to eliminate duplicates 923 residues left after pruning, divided into chains as follows: A: 8 B: 9 C: 9 D: 22 E: 11 F: 8 G: 8 H: 8 I: 13 J: 12 K: 6 L: 6 M: 6 N: 10 O: 7 P: 36 Q: 9 R: 26 S: 9 T: 6 U: 28 V: 12 W: 10 X: 11 Y: 6 Z: 11 Z: 18 Z: 39 Z: 14 Z: 6 Z: 17 Z: 12 Z: 83 Z: 6 Z: 22 Z: 6 Z: 8 Z: 18 Z: 21 Z: 8 Z: 52 Z: 19 Z: 11 Z: 9 Z: 26 Z: 9 Z: 9 Z: 6 Z: 33 Z: 6 Z: 7 Z: 10 Z: 41 Z: 18 Z: 6 Z: 17 Z: 8 Z: 32 Z: 19 CC for partial structure against native data = 32.29 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.404, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.469, Connect. = 0.723 for dens.mod. cycle 2 = 0.300, Contrast = 0.558, Connect. = 0.754 for dens.mod. cycle 3 = 0.300, Contrast = 0.570, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.580, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.585, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.590, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.592, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.594, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.595, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4421 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1140 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 12.227 2.224 0.042 0.747 0.875 0.625 CA 1.710 B: 19 28.422 2.034 0.917 0.791 0.889 0.500 CB 1.497 9 residues pruned to eliminate duplicates C: 15 22.599 1.884 0.610 0.919 1.000 0.857 CB 1.404 D: 16 27.391 2.190 0.555 0.833 0.933 0.667 CB 1.669 16 residues pruned to eliminate duplicates E: 14 11.979 1.913 0.512 0.521 0.769 0.692 CB 1.463 F: 13 11.408 1.716 0.329 0.852 1.000 0.750 CB 1.068 G: 12 26.116 1.978 0.862 0.938 1.000 1.000 CB 1.487 14 residues pruned to eliminate duplicates H: 13 13.739 1.906 0.549 0.493 0.917 0.667 CB 1.476 14 residues pruned to eliminate duplicates I: 18 30.982 2.086 0.866 0.764 0.941 0.647 CB 1.623 18 residues pruned to eliminate duplicates J: 18 33.874 2.039 0.762 0.856 1.000 0.882 CA 1.687 18 residues pruned to eliminate duplicates K: 19 27.423 2.018 0.896 0.800 0.889 0.667 CB 1.462 19 residues pruned to eliminate duplicates L: 53 28.944 1.916 0.649 0.625 0.904 0.692 CB 1.250 13 residues pruned to eliminate duplicates M: 14 20.971 1.880 0.689 0.929 1.000 0.769 CB 1.281 14 residues pruned to eliminate duplicates N: 18 19.367 1.840 0.522 0.731 0.941 0.647 CA 1.448 O: 11 21.230 2.126 0.971 0.795 0.800 0.700 CB 1.547 P: 18 22.918 1.957 0.610 0.758 1.000 0.647 CB 1.402 Q: 11 16.182 1.882 0.846 0.815 0.900 0.800 CA 1.244 R: 14 20.857 1.946 0.376 0.924 1.000 0.923 CA 1.517 14 residues pruned to eliminate duplicates S: 12 9.841 1.787 0.718 0.455 0.909 0.455 CA 1.112 T: 7 13.857 1.992 0.742 0.890 1.000 1.000 CB 1.174 U: 11 11.680 1.706 0.402 0.845 1.000 0.700 CB 1.148 V: 16 30.455 1.926 0.861 0.919 1.000 0.867 CB 1.546 W: 7 8.550 1.647 0.703 0.834 0.833 0.500 N 1.120 X: 17 23.153 1.804 0.899 0.884 1.000 0.812 CB 1.220 13 residues pruned to eliminate duplicates Y: 15 19.417 1.793 0.694 0.915 1.000 1.000 CA 1.207 Z: 17 25.094 1.922 0.493 0.913 1.000 1.000 CA 1.547 18 residues pruned to eliminate duplicates Z: 18 32.548 2.038 0.860 0.845 0.941 0.824 CB 1.645 18 residues pruned to eliminate duplicates Z: 16 21.005 1.832 0.829 0.837 0.933 0.800 CA 1.297 15 residues pruned to eliminate duplicates Z: 19 25.747 1.980 0.622 0.801 0.889 0.722 CA 1.634 19 residues pruned to eliminate duplicates Z: 10 9.015 1.753 0.209 0.853 0.889 0.778 CB 1.179 Z: 14 15.686 1.829 0.336 0.927 1.000 0.923 CB 1.248 Z: 49 25.650 1.882 0.595 0.484 0.917 0.542 CB 1.367 9 residues pruned to eliminate duplicates Z: 11 10.270 1.833 0.633 0.836 0.900 0.700 CB 0.903 Z: 14 19.415 1.756 1.096 0.805 1.000 0.692 CB 1.121 11 residues pruned to eliminate duplicates Z: 17 23.270 1.853 0.750 0.892 1.000 0.750 CA 1.289 Z: 15 14.227 1.782 0.425 0.909 1.000 0.929 CA 1.063 15 residues pruned to eliminate duplicates Z: 14 16.217 1.896 0.714 0.882 1.000 0.462 CB 1.002 Z: 14 11.410 1.711 0.556 0.848 0.923 0.769 CB 0.955 12 residues pruned to eliminate duplicates Z: 14 21.467 1.911 0.537 0.897 0.923 0.846 CA 1.572 14 residues pruned to eliminate duplicates Z: 26 24.560 1.969 0.723 0.631 0.880 0.600 CB 1.455 26 residues pruned to eliminate duplicates Z: 8 7.110 1.621 0.326 0.735 0.857 0.571 CB 1.182 Z: 14 16.747 1.833 0.547 0.920 1.000 1.000 CA 1.153 14 residues pruned to eliminate duplicates Z: 15 25.986 1.992 0.896 0.931 1.000 0.929 CA 1.285 16 residues pruned to eliminate duplicates Z: 19 30.286 2.055 0.868 0.724 0.944 0.611 CB 1.609 19 residues pruned to eliminate duplicates Z: 18 21.469 2.030 0.318 0.746 0.941 0.706 CA 1.660 18 residues pruned to eliminate duplicates Z: 16 21.372 1.901 0.381 0.917 1.000 0.867 CA 1.483 16 residues pruned to eliminate duplicates Z: 11 25.505 2.015 0.916 0.848 1.000 0.700 CA 1.549 11 residues pruned to eliminate duplicates Z: 13 9.826 1.754 0.831 0.835 0.917 0.750 CB 0.722 13 residues pruned to eliminate duplicates Z: 11 10.529 1.733 0.327 0.881 1.000 0.900 CB 1.048 11 residues pruned to eliminate duplicates Z: 11 10.174 1.851 0.483 0.499 0.900 0.600 CB 1.304 Z: 18 27.386 2.034 0.772 0.831 0.882 0.647 CB 1.569 18 residues pruned to eliminate duplicates Z: 32 24.669 1.950 0.643 0.547 0.935 0.742 CB 1.412 7 residues pruned to eliminate duplicates Z: 18 25.132 1.790 0.752 0.906 1.000 0.706 CB 1.383 Z: 34 23.719 1.930 0.643 0.543 0.879 0.667 CB 1.421 33 residues pruned to eliminate duplicates Z: 12 16.518 1.971 0.570 0.834 0.909 0.636 CB 1.327 12 residues pruned to eliminate duplicates Z: 18 24.907 1.841 0.663 0.927 0.941 0.765 CB 1.470 18 residues pruned to eliminate duplicates Z: 16 24.677 1.942 0.598 0.892 1.000 0.867 CA 1.474 16 residues pruned to eliminate duplicates Z: 17 11.313 1.868 0.431 0.496 0.875 0.688 CB 1.214 17 residues pruned to eliminate duplicates Z: 16 24.800 1.966 0.771 0.918 1.000 0.667 CB 1.296 14 residues pruned to eliminate duplicates Z: 20 19.542 1.728 0.719 0.815 1.000 0.737 CA 1.148 20 residues pruned to eliminate duplicates Z: 6 6.316 1.837 0.393 0.760 0.600 0.400 CB 1.459 6 residues pruned to eliminate duplicates Z: 20 23.586 1.924 0.825 0.748 0.947 0.684 CB 1.304 18 residues pruned to eliminate duplicates Z: 9 16.202 2.034 0.553 0.910 1.000 1.000 CA 1.286 9 residues pruned to eliminate duplicates Z: 16 25.213 1.894 0.629 0.911 1.000 1.000 CA 1.495 16 residues pruned to eliminate duplicates Z: 15 12.364 1.647 0.782 0.773 0.929 0.571 CB 0.953 15 residues pruned to eliminate duplicates Z: 8 11.912 2.033 0.806 0.381 1.000 0.857 CB 1.391 Z: 10 7.109 1.861 0.062 0.530 0.889 0.333 CB 1.309 10 residues pruned to eliminate duplicates Z: 16 27.352 1.884 1.064 0.933 1.000 0.933 CA 1.268 16 residues pruned to eliminate duplicates Z: 6 7.089 1.794 0.548 0.747 0.600 0.400 O 1.526 6 residues pruned to eliminate duplicates Z: 19 24.289 1.760 0.862 0.908 1.000 0.778 CB 1.240 19 residues pruned to eliminate duplicates Z: 15 6.039 1.967 0.618 0.271 0.786 0.571 CB 0.837 15 residues pruned to eliminate duplicates Z: 6 4.664 1.592 1.017 0.422 0.800 0.800 CB 0.881 Z: 13 21.864 1.964 0.443 0.923 1.000 1.000 CA 1.565 13 residues pruned to eliminate duplicates Z: 16 18.475 1.983 0.742 0.779 0.867 0.733 CB 1.246 16 residues pruned to eliminate duplicates Z: 19 24.875 1.987 0.474 0.805 0.944 0.833 CB 1.624 19 residues pruned to eliminate duplicates Z: 8 5.152 1.663 0.310 0.359 0.857 0.571 CA 1.214 Z: 16 27.711 1.848 0.931 0.884 1.000 0.733 CB 1.449 16 residues pruned to eliminate duplicates Z: 13 8.941 1.781 0.496 0.305 0.833 0.500 CA 1.443 Z: 17 10.120 1.649 0.454 0.394 0.875 0.438 CB 1.348 Z: 15 17.238 1.821 0.437 0.907 1.000 0.929 CB 1.251 14 residues pruned to eliminate duplicates Z: 16 27.492 1.899 0.919 0.875 0.933 0.733 CB 1.518 16 residues pruned to eliminate duplicates Z: 14 20.792 1.971 0.609 0.897 1.000 0.846 CB 1.302 14 residues pruned to eliminate duplicates Z: 28 14.236 1.753 0.485 0.435 0.852 0.407 CB 1.321 Z: 14 25.378 2.052 0.592 0.933 1.000 0.923 CA 1.503 15 residues pruned to eliminate duplicates Z: 14 16.345 1.814 0.652 0.852 0.923 0.692 CA 1.212 14 residues pruned to eliminate duplicates Z: 13 19.902 1.819 0.930 0.904 0.917 0.667 CA 1.272 12 residues pruned to eliminate duplicates Z: 17 20.156 1.849 0.331 0.932 1.000 0.938 CA 1.429 17 residues pruned to eliminate duplicates Z: 12 9.325 1.714 0.350 0.564 0.818 0.636 CB 1.396 Z: 12 17.496 1.899 0.657 0.785 1.000 0.545 CA 1.305 12 residues pruned to eliminate duplicates Z: 7 4.277 1.561 0.283 0.378 0.833 0.500 CB 1.191 Z: 16 19.698 1.959 0.603 0.818 1.000 0.733 CA 1.230 16 residues pruned to eliminate duplicates Z: 10 13.089 1.816 0.580 0.833 1.000 0.556 CA 1.140 10 residues pruned to eliminate duplicates Z: 14 13.466 1.685 0.719 0.864 0.923 0.615 CB 1.025 14 residues pruned to eliminate duplicates Z: 19 24.513 1.929 0.733 0.834 1.000 0.778 CB 1.296 20 residues pruned to eliminate duplicates Z: 23 19.483 1.849 0.415 0.763 0.909 0.545 CA 1.383 22 residues pruned to eliminate duplicates Z: 15 27.851 1.899 1.120 0.931 1.000 0.786 CA 1.292 15 residues pruned to eliminate duplicates Z: 10 14.577 1.803 0.498 0.922 1.000 0.778 CB 1.265 11 residues pruned to eliminate duplicates Z: 9 3.331 1.735 0.369 0.254 0.625 0.250 CB 1.052 Z: 24 20.459 1.784 0.622 0.768 0.957 0.652 CB 1.215 20 residues pruned to eliminate duplicates Z: 17 22.197 1.853 0.489 0.929 1.000 1.000 CA 1.407 17 residues pruned to eliminate duplicates Z: 16 25.105 1.933 0.702 0.935 0.933 0.800 CB 1.471 16 residues pruned to eliminate duplicates Z: 17 5.874 1.742 0.263 0.316 0.688 0.375 CB 1.189 17 residues pruned to eliminate duplicates Z: 18 18.216 1.950 0.515 0.573 0.941 0.882 CA 1.481 12 residues pruned to eliminate duplicates Z: 10 6.113 1.442 0.798 0.677 0.778 0.667 CB 0.859 Z: 15 26.370 1.898 0.889 0.901 0.929 0.714 CA 1.511 15 residues pruned to eliminate duplicates Z: 7 7.957 1.555 0.731 0.727 1.000 0.333 N 0.983 7 residues pruned to eliminate duplicates Z: 11 16.326 1.906 0.561 0.888 1.000 0.800 CA 1.250 11 residues pruned to eliminate duplicates Z: 13 18.125 1.767 0.717 0.857 0.917 0.583 CB 1.386 13 residues pruned to eliminate duplicates Z: 7 7.034 1.753 0.728 0.748 0.833 0.667 CB 0.912 7 residues pruned to eliminate duplicates Z: 29 20.211 1.787 0.689 0.608 0.893 0.500 CB 1.280 13 residues pruned to eliminate duplicates Z: 16 27.354 1.872 1.135 0.904 1.000 0.667 CA 1.259 16 residues pruned to eliminate duplicates Z: 14 22.279 1.887 0.643 0.936 1.000 0.846 CA 1.387 14 residues pruned to eliminate duplicates Z: 18 29.671 2.059 0.716 0.803 0.941 0.824 CB 1.661 18 residues pruned to eliminate duplicates Z: 19 15.176 1.874 0.559 0.773 0.889 0.611 CB 1.082 19 residues pruned to eliminate duplicates Z: 17 26.308 1.882 0.569 0.940 1.000 0.938 CB 1.547 17 residues pruned to eliminate duplicates Z: 14 18.878 1.893 0.466 0.914 1.000 0.923 CB 1.334 15 residues pruned to eliminate duplicates Z: 18 18.463 1.851 0.635 0.795 0.941 0.765 CA 1.214 18 residues pruned to eliminate duplicates Z: 7 4.840 1.529 0.200 0.659 0.833 0.500 CB 1.115 Z: 19 29.926 1.970 1.087 0.832 0.944 0.778 CB 1.364 19 residues pruned to eliminate duplicates Z: 17 29.332 1.873 0.961 0.892 1.000 0.812 CA 1.434 17 residues pruned to eliminate duplicates Z: 7 10.628 1.790 0.449 0.887 1.000 0.500 N 1.205 7 residues pruned to eliminate duplicates Z: 13 21.372 1.967 0.687 0.879 1.000 0.750 CB 1.348 13 residues pruned to eliminate duplicates Z: 16 23.571 1.808 0.752 0.913 1.000 0.800 CA 1.359 16 residues pruned to eliminate duplicates Z: 9 12.482 1.689 0.597 0.882 1.000 0.625 CB 1.184 Z: 14 15.377 1.941 0.651 0.493 0.923 0.615 CB 1.452 11 residues pruned to eliminate duplicates Z: 11 9.733 1.751 0.343 0.546 0.900 0.600 CB 1.391 11 residues pruned to eliminate duplicates Z: 22 18.270 1.941 0.230 0.732 0.905 0.857 CA 1.499 22 residues pruned to eliminate duplicates Z: 17 10.149 2.052 0.532 0.409 0.875 0.438 CB 1.015 25 residues pruned to eliminate duplicates Z: 7 6.269 1.857 -0.035 0.536 1.000 0.667 CB 1.379 7 residues pruned to eliminate duplicates Z: 11 14.994 1.827 0.458 0.877 1.000 0.700 CB 1.293 Z: 15 19.238 1.916 0.643 0.787 0.929 0.857 CB 1.367 16 residues pruned to eliminate duplicates Z: 15 26.720 1.963 0.797 0.906 0.929 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 7 13.709 1.980 0.501 0.897 1.000 0.667 CA 1.348 7 residues pruned to eliminate duplicates Z: 9 5.325 1.652 0.496 0.421 0.750 0.250 CA 1.103 Z: 16 21.789 1.864 0.822 0.922 1.000 0.933 CA 1.165 16 residues pruned to eliminate duplicates Z: 16 25.094 1.888 1.046 0.913 1.000 0.867 CA 1.187 23 residues pruned to eliminate duplicates Z: 16 19.225 1.795 0.605 0.883 0.933 0.800 CA 1.335 16 residues pruned to eliminate duplicates Z: 6 5.989 1.482 0.642 0.698 0.800 0.400 O 1.148 6 residues pruned to eliminate duplicates Z: 10 11.402 1.950 0.703 0.499 0.778 0.778 CB 1.473 10 residues pruned to eliminate duplicates Z: 19 23.416 1.859 0.793 0.732 0.944 0.611 CB 1.423 19 residues pruned to eliminate duplicates Z: 28 13.917 1.823 0.545 0.398 0.889 0.593 CB 1.192 28 residues pruned to eliminate duplicates Z: 12 11.333 1.688 0.578 0.557 1.000 0.727 CA 1.214 Z: 9 7.963 1.809 0.414 0.526 0.750 0.500 CB 1.431 6 residues pruned to eliminate duplicates Z: 8 2.450 1.425 0.481 0.396 0.714 0.571 CB 0.685 Z: 9 7.335 1.866 0.437 0.461 0.875 0.375 CA 1.151 9 residues pruned to eliminate duplicates Z: 8 6.968 1.654 0.368 0.658 1.000 0.714 CB 1.005 Z: 17 23.140 1.902 0.770 0.922 0.938 0.688 CA 1.289 17 residues pruned to eliminate duplicates Z: 7 13.223 2.015 0.656 0.531 1.000 0.833 CB 1.569 8 residues pruned to eliminate duplicates Z: 17 13.206 1.742 0.213 0.744 1.000 0.812 CB 1.257 Z: 17 28.506 1.830 0.861 0.927 1.000 0.812 CA 1.467 17 residues pruned to eliminate duplicates Z: 8 13.021 1.895 0.598 0.901 1.000 0.857 CB 1.161 Z: 17 27.955 1.955 0.649 0.931 1.000 0.938 CA 1.516 17 residues pruned to eliminate duplicates Z: 12 6.538 1.660 0.484 0.493 0.818 0.545 CA 0.985 12 residues pruned to eliminate duplicates Z: 9 12.545 1.671 0.954 0.849 0.875 0.875 CA 1.151 Z: 9 12.409 1.933 0.508 0.919 1.000 1.000 CB 1.061 Z: 18 26.106 1.861 0.710 0.838 1.000 0.765 CA 1.486 17 residues pruned to eliminate duplicates Z: 9 7.417 1.799 0.310 0.408 0.875 0.625 CB 1.400 Z: 14 23.401 1.928 0.671 0.943 1.000 1.000 CA 1.396 14 residues pruned to eliminate duplicates Z: 12 9.218 1.588 0.596 0.628 0.818 0.545 CB 1.188 11 residues pruned to eliminate duplicates Z: 17 28.070 1.973 0.584 0.923 1.000 1.000 CA 1.578 18 residues pruned to eliminate duplicates Z: 16 14.121 1.895 0.413 0.830 0.933 0.800 CA 1.097 16 residues pruned to eliminate duplicates Z: 16 17.650 1.753 0.405 0.854 1.000 0.867 CB 1.367 17 residues pruned to eliminate duplicates Z: 17 25.874 1.808 0.793 0.924 1.000 0.875 CB 1.402 17 residues pruned to eliminate duplicates 7 1.801 1.514 0.172 0.506 0.667 0.667 CB 0.618 ? Z: 18 25.370 1.872 0.586 0.903 1.000 0.765 CA 1.477 18 residues pruned to eliminate duplicates Z: 20 9.686 1.855 0.455 0.377 0.947 0.526 CB 0.992 Z: 6 5.971 1.617 0.504 0.566 0.800 0.600 CA 1.288 Z: 12 9.203 1.680 0.493 0.588 0.909 0.727 CB 1.119 12 residues pruned to eliminate duplicates Z: 10 14.804 1.904 0.463 0.913 1.000 1.000 CA 1.254 10 residues pruned to eliminate duplicates Z: 7 2.293 1.451 0.026 0.318 0.833 0.333 CB 0.922 Z: 11 7.996 1.653 0.396 0.805 0.900 0.600 CB 0.933 10 residues pruned to eliminate duplicates Z: 15 8.710 1.857 0.533 0.399 0.857 0.429 CA 1.061 15 residues pruned to eliminate duplicates Z: 24 20.102 1.894 0.789 0.487 0.913 0.652 CB 1.373 24 residues pruned to eliminate duplicates Z: 9 15.034 1.629 1.082 0.888 1.000 0.750 CA 1.129 9 residues pruned to eliminate duplicates Z: 8 6.483 1.751 0.670 0.451 0.714 0.571 CB 1.233 Z: 17 12.407 1.775 0.370 0.752 0.938 0.688 CB 1.086 17 residues pruned to eliminate duplicates Z: 16 24.652 1.921 0.539 0.905 1.000 0.733 CA 1.532 16 residues pruned to eliminate duplicates Z: 10 10.859 1.751 0.156 0.868 1.000 0.778 CB 1.307 10 residues pruned to eliminate duplicates Z: 9 6.123 1.570 0.573 0.317 0.875 0.500 CB 1.226 Z: 7 3.565 1.619 -0.098 0.554 1.000 0.500 CB 0.946 Z: 14 18.431 1.855 0.638 0.881 0.923 0.846 CB 1.319 14 residues pruned to eliminate duplicates Z: 19 21.393 1.745 0.710 0.876 1.000 0.778 CB 1.229 19 residues pruned to eliminate duplicates Z: 16 26.670 2.002 0.611 0.910 0.933 0.867 CA 1.622 16 residues pruned to eliminate duplicates Z: 10 7.877 2.014 0.534 0.308 0.889 0.556 CB 1.184 Z: 11 13.370 1.861 0.542 0.882 1.000 0.800 CA 1.065 11 residues pruned to eliminate duplicates Z: 7 6.984 1.822 0.650 0.418 0.833 0.500 CA 1.240 Z: 19 15.950 1.862 0.659 0.771 0.889 0.611 CA 1.077 19 residues pruned to eliminate duplicates Z: 13 21.939 1.842 0.655 0.853 1.000 0.583 N 1.535 13 residues pruned to eliminate duplicates Z: 10 8.468 1.752 0.680 0.510 0.889 0.556 CB 1.068 10 residues pruned to eliminate duplicates Z: 12 15.900 1.895 0.311 0.931 1.000 0.909 CA 1.349 12 residues pruned to eliminate duplicates Z: 17 28.838 1.903 0.864 0.921 1.000 0.812 CB 1.430 18 residues pruned to eliminate duplicates Z: 7 5.214 1.587 0.269 0.793 1.000 0.833 CB 0.818 7 residues pruned to eliminate duplicates Z: 24 22.359 1.802 0.529 0.784 0.957 0.696 CA 1.378 24 residues pruned to eliminate duplicates Z: 11 18.586 1.998 0.805 0.815 0.900 0.800 CA 1.377 10 residues pruned to eliminate duplicates Z: 8 16.339 1.838 0.926 0.850 1.000 0.571 CA 1.292 7 residues pruned to eliminate duplicates Z: 18 32.851 1.887 1.019 0.856 1.000 0.647 CA 1.543 18 residues pruned to eliminate duplicates Z: 7 7.197 1.659 0.424 0.511 1.000 0.667 CB 1.230 6 residues pruned to eliminate duplicates Z: 15 19.217 1.815 1.012 0.914 0.857 0.714 CB 1.161 16 residues pruned to eliminate duplicates Z: 9 4.211 1.773 0.058 0.444 0.875 0.375 CB 0.961 9 residues pruned to eliminate duplicates Z: 17 26.626 1.867 0.705 0.930 1.000 1.000 CB 1.461 17 residues pruned to eliminate duplicates Z: 7 6.534 1.688 0.693 0.611 0.667 0.333 CB 1.261 5 residues pruned to eliminate duplicates Z: 6 8.300 1.990 0.662 0.807 1.000 0.800 CB 0.858 6 residues pruned to eliminate duplicates Z: 21 9.663 1.865 0.411 0.411 0.900 0.600 CB 1.000 20 residues pruned to eliminate duplicates Z: 14 22.456 1.806 1.213 0.896 0.923 0.538 CB 1.209 14 residues pruned to eliminate duplicates Z: 9 4.033 1.592 0.297 0.324 0.875 0.375 N 0.958 Z: 7 4.813 1.721 0.687 0.867 0.833 0.667 CB 0.594 Z: 15 26.948 2.034 0.655 0.886 0.929 0.929 CA 1.663 15 residues pruned to eliminate duplicates Z: 7 7.529 1.709 0.438 0.751 1.000 0.667 CB 1.000 8 residues pruned to eliminate duplicates Z: 6 7.647 1.755 0.773 0.658 0.800 0.800 CA 1.186 6 residues pruned to eliminate duplicates Z: 14 19.481 1.900 0.465 0.886 1.000 0.846 CB 1.400 14 residues pruned to eliminate duplicates Z: 10 5.850 1.686 0.202 0.311 0.889 0.333 CB 1.336 9 residues pruned to eliminate duplicates Z: 10 7.670 1.763 0.582 0.533 0.778 0.778 CB 1.141 Z: 7 4.742 1.690 0.278 0.525 0.667 0.667 CA 1.312 Z: 8 11.149 1.615 0.547 0.894 1.000 0.571 CB 1.209 7 residues pruned to eliminate duplicates Z: 10 8.557 1.663 0.620 0.622 0.889 0.778 CB 1.062 Z: 54 21.246 1.834 0.547 0.452 0.906 0.547 CB 1.192 46 residues pruned to eliminate duplicates Z: 15 17.574 1.787 0.646 0.897 1.000 0.929 CA 1.143 15 residues pruned to eliminate duplicates Z: 10 7.437 1.723 0.243 0.535 0.889 0.667 CA 1.259 10 residues pruned to eliminate duplicates Z: 11 15.581 1.893 0.853 0.908 1.000 0.900 CB 0.998 15 residues pruned to eliminate duplicates Z: 22 23.433 1.911 0.590 0.764 1.000 0.667 CB 1.332 22 residues pruned to eliminate duplicates Z: 7 4.036 1.626 0.476 0.399 0.667 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 6 2.860 1.606 0.753 0.299 0.600 0.400 CB 0.947 Z: 17 26.320 1.893 1.071 0.925 1.000 0.688 CA 1.178 17 residues pruned to eliminate duplicates Z: 24 13.257 1.789 0.560 0.390 0.913 0.565 CB 1.218 10 residues pruned to eliminate duplicates Z: 8 13.803 1.904 0.604 0.903 1.000 1.000 CB 1.218 8 residues pruned to eliminate duplicates Z: 6 5.164 1.515 0.447 0.628 0.800 0.600 CA 1.167 Z: 15 19.610 1.930 0.542 0.919 1.000 1.000 CA 1.241 15 residues pruned to eliminate duplicates Z: 14 16.458 1.753 0.886 0.528 0.923 0.769 CB 1.455 13 residues pruned to eliminate duplicates Z: 13 20.734 1.949 0.682 0.918 1.000 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 7 4.267 1.580 0.038 0.436 0.833 0.500 CA 1.362 7 residues pruned to eliminate duplicates Z: 13 8.320 1.675 0.580 0.848 0.833 0.667 CB 0.808 13 residues pruned to eliminate duplicates Z: 14 5.539 1.553 0.429 0.333 0.692 0.385 CA 1.200 Z: 15 4.767 1.561 0.300 0.347 0.786 0.357 CB 0.944 15 residues pruned to eliminate duplicates Z: 7 3.618 1.571 0.689 0.839 1.000 0.500 CB 0.416 7 residues pruned to eliminate duplicates Z: 17 36.441 1.982 0.912 0.927 1.000 0.750 N 1.685 17 residues pruned to eliminate duplicates Z: 8 5.555 1.242 0.682 0.874 1.000 1.000 CB 0.731 Z: 15 22.005 2.015 0.777 0.848 0.929 0.786 CA 1.312 15 residues pruned to eliminate duplicates Z: 12 9.707 1.844 0.564 0.343 0.909 0.545 CA 1.325 12 residues pruned to eliminate duplicates Z: 9 6.192 1.525 0.381 0.484 0.875 0.375 CB 1.207 Z: 14 8.651 1.777 0.522 0.387 0.846 0.538 CB 1.182 Z: 13 14.593 1.922 0.468 0.901 0.917 0.917 CB 1.163 13 residues pruned to eliminate duplicates Z: 9 4.610 1.679 0.132 0.306 0.875 0.625 CB 1.216 Z: 11 15.264 1.799 0.667 0.864 1.000 0.900 CB 1.180 Z: 10 4.187 1.474 0.371 0.305 0.889 0.667 O 0.965 Z: 9 4.347 1.658 0.627 0.443 0.625 0.500 CB 0.967 Z: 15 18.640 1.782 0.660 0.866 1.000 0.786 CB 1.233 13 residues pruned to eliminate duplicates Z: 9 6.204 1.705 0.348 0.559 0.875 0.500 CB 1.031 Z: 9 11.701 1.716 0.523 0.877 1.000 0.875 CB 1.150 10 residues pruned to eliminate duplicates Z: 11 13.110 1.695 0.737 0.894 1.000 0.800 CB 1.010 10 residues pruned to eliminate duplicates Z: 20 17.923 1.838 0.531 0.780 1.000 0.789 CA 1.141 20 residues pruned to eliminate duplicates Z: 12 13.346 1.956 0.911 0.450 0.909 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 8 4.769 1.793 0.160 0.363 0.857 0.429 CB 1.171 9 residues pruned to eliminate duplicates Z: 12 10.343 1.826 0.444 0.511 0.909 0.727 CB 1.287 9 residues pruned to eliminate duplicates Z: 22 13.674 1.738 0.487 0.560 0.857 0.524 CB 1.271 15 residues pruned to eliminate duplicates Z: 22 13.659 1.695 0.649 0.490 0.857 0.429 CB 1.256 26 residues pruned to eliminate duplicates Z: 18 22.891 1.779 0.842 0.826 1.000 0.706 CA 1.277 18 residues pruned to eliminate duplicates Z: 12 8.561 1.653 0.394 0.335 1.000 0.545 CB 1.342 12 residues pruned to eliminate duplicates Z: 16 22.478 1.854 0.938 0.887 0.933 0.800 CA 1.248 16 residues pruned to eliminate duplicates Z: 11 10.498 1.820 0.688 0.761 0.800 0.700 CB 1.071 11 residues pruned to eliminate duplicates Z: 7 4.473 1.615 0.654 0.859 0.833 0.833 CB 0.603 7 residues pruned to eliminate duplicates Z: 11 4.707 1.688 0.023 0.386 1.000 0.500 CB 0.973 11 residues pruned to eliminate duplicates Z: 6 10.121 1.798 0.573 0.839 1.000 0.600 CB 1.195 6 residues pruned to eliminate duplicates Z: 14 15.978 1.857 0.475 0.891 0.923 0.769 CA 1.261 14 residues pruned to eliminate duplicates Z: 7 8.558 1.656 0.314 0.815 1.000 0.833 CB 1.221 Z: 9 5.942 1.690 0.145 0.318 1.000 0.750 CB 1.328 9 residues pruned to eliminate duplicates Z: 11 6.001 1.660 0.426 0.359 0.900 0.500 CA 1.037 Z: 21 8.076 1.650 0.296 0.329 0.850 0.400 CB 1.199 25 residues pruned to eliminate duplicates Z: 12 6.643 1.722 0.146 0.465 0.818 0.545 CB 1.286 10 residues pruned to eliminate duplicates Z: 8 7.365 1.599 0.469 0.575 0.857 0.429 N 1.285 Z: 26 9.984 1.644 0.408 0.425 0.760 0.440 CB 1.227 26 residues pruned to eliminate duplicates Z: 27 21.632 1.913 0.737 0.723 0.885 0.577 CB 1.180 27 residues pruned to eliminate duplicates Z: 17 19.791 1.864 0.408 0.919 0.938 0.875 CB 1.417 17 residues pruned to eliminate duplicates Z: 17 22.270 1.923 0.601 0.765 1.000 0.688 CB 1.428 17 residues pruned to eliminate duplicates Z: 8 11.538 1.820 0.470 0.837 1.000 0.714 CB 1.220 8 residues pruned to eliminate duplicates Z: 6 2.323 1.897 0.174 0.411 0.600 0.200 CB 0.853 6 residues pruned to eliminate duplicates Z: 8 6.911 1.892 0.058 0.614 1.000 0.857 CB 1.171 8 residues pruned to eliminate duplicates Z: 7 4.448 1.313 0.590 0.827 1.000 0.833 CB 0.656 7 residues pruned to eliminate duplicates Z: 10 5.190 1.693 0.376 0.505 0.667 0.111 CB 1.109 Z: 16 9.362 1.643 0.644 0.415 0.800 0.467 CB 1.224 8 residues pruned to eliminate duplicates Z: 14 20.840 1.897 0.793 0.922 1.000 0.615 CB 1.195 14 residues pruned to eliminate duplicates Z: 19 17.025 1.696 0.913 0.884 0.889 0.611 CB 1.005 18 residues pruned to eliminate duplicates Z: 53 25.003 1.836 0.668 0.530 0.846 0.596 CB 1.299 58 residues pruned to eliminate duplicates Z: 15 10.506 1.944 0.297 0.582 0.786 0.643 CA 1.310 15 residues pruned to eliminate duplicates Z: 7 5.363 1.675 0.509 0.565 1.000 0.833 CB 0.813 9 residues pruned to eliminate duplicates Z: 15 11.816 1.814 0.405 0.808 0.929 0.714 CB 1.020 15 residues pruned to eliminate duplicates Z: 21 10.031 1.864 0.426 0.375 0.950 0.650 CB 1.015 21 residues pruned to eliminate duplicates Z: 11 11.893 1.876 0.399 0.839 0.800 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 17 23.383 1.855 0.865 0.927 0.938 0.812 CA 1.263 17 residues pruned to eliminate duplicates Z: 16 28.172 1.899 0.838 0.884 1.000 0.800 CA 1.506 15 residues pruned to eliminate duplicates Z: 10 12.241 1.748 0.587 0.908 1.000 1.000 CB 1.045 10 residues pruned to eliminate duplicates Z: 8 10.067 1.760 0.647 0.911 1.000 0.857 CB 0.930 5 residues pruned to eliminate duplicates Z: 7 3.732 1.802 0.453 0.411 0.833 0.333 CB 0.766 7 residues pruned to eliminate duplicates Z: 11 6.924 1.640 0.284 0.594 0.800 0.600 CB 1.188 11 residues pruned to eliminate duplicates Z: 32 21.795 1.925 0.486 0.519 0.903 0.710 CB 1.488 32 residues pruned to eliminate duplicates Z: 8 12.876 1.767 0.679 0.808 0.857 0.714 CB 1.463 8 residues pruned to eliminate duplicates Z: 29 22.341 1.910 0.610 0.570 0.964 0.714 CB 1.331 29 residues pruned to eliminate duplicates Z: 12 8.131 1.819 0.475 0.304 0.818 0.455 CA 1.389 12 residues pruned to eliminate duplicates Z: 12 10.995 1.871 0.249 0.887 0.909 0.909 CA 1.125 12 residues pruned to eliminate duplicates Z: 15 15.094 1.761 0.682 0.910 0.929 0.500 CB 1.041 15 residues pruned to eliminate duplicates Z: 17 10.745 1.625 0.633 0.517 0.875 0.562 CB 1.138 10 residues pruned to eliminate duplicates Z: 16 18.159 1.783 0.549 0.876 1.000 0.800 CA 1.233 16 residues pruned to eliminate duplicates Z: 11 14.469 1.805 0.733 0.859 0.900 0.700 CB 1.196 9 residues pruned to eliminate duplicates Z: 12 16.912 1.857 0.824 0.883 1.000 0.909 CB 1.089 12 residues pruned to eliminate duplicates Z: 6 6.324 1.764 0.250 0.577 0.800 0.600 CB 1.489 6 residues pruned to eliminate duplicates Z: 11 9.093 1.815 0.479 0.859 0.800 0.700 CB 0.985 10 residues pruned to eliminate duplicates Z: 12 14.663 1.618 0.504 0.901 1.000 0.636 CB 1.297 11 residues pruned to eliminate duplicates Z: 7 7.266 1.642 0.621 0.400 1.000 0.833 CB 1.238 5 residues pruned to eliminate duplicates Z: 12 5.910 1.689 0.624 0.450 0.727 0.455 CB 0.940 Z: 10 10.529 1.510 0.556 0.785 1.000 0.778 CB 1.162 Z: 17 26.984 1.841 0.777 0.936 1.000 0.938 CB 1.436 17 residues pruned to eliminate duplicates Z: 8 8.562 1.691 0.193 0.873 1.000 0.857 CB 1.169 9 residues pruned to eliminate duplicates Z: 19 21.269 1.940 0.364 0.834 1.000 0.833 CA 1.420 19 residues pruned to eliminate duplicates Z: 7 4.684 1.484 0.460 0.378 0.833 0.667 N 1.207 Z: 6 3.602 1.494 0.646 0.387 0.800 0.400 CA 0.923 Z: 11 12.203 1.712 0.305 0.869 1.000 1.000 CB 1.261 11 residues pruned to eliminate duplicates Z: 15 19.957 1.782 0.829 0.923 1.000 0.786 CB 1.150 15 residues pruned to eliminate duplicates Z: 8 10.251 1.627 0.406 0.866 1.000 0.857 CA 1.240 Z: 6 2.907 1.592 0.373 0.297 0.600 0.600 N 1.244 Z: 9 6.145 1.532 0.317 0.635 0.875 0.500 CB 1.084 Z: 22 21.418 1.869 0.510 0.759 0.952 0.667 CB 1.382 29 residues pruned to eliminate duplicates Z: 9 5.945 1.801 -0.117 0.864 0.875 0.875 CB 1.107 9 residues pruned to eliminate duplicates Z: 6 5.095 1.451 0.443 0.549 1.000 0.600 CB 1.037 Z: 17 18.803 1.956 0.561 0.778 1.000 0.625 CA 1.204 17 residues pruned to eliminate duplicates Z: 6 7.357 1.736 0.432 0.641 0.800 0.600 CB 1.450 6 residues pruned to eliminate duplicates Z: 8 2.919 1.433 0.258 0.368 0.857 0.429 N 0.823 Z: 15 18.279 1.858 0.705 0.896 0.929 0.857 CB 1.191 14 residues pruned to eliminate duplicates Z: 14 8.491 1.747 0.395 0.311 0.846 0.538 CA 1.407 14 residues pruned to eliminate duplicates Z: 11 15.571 1.959 0.948 0.594 1.000 0.800 CB 1.180 11 residues pruned to eliminate duplicates Z: 19 24.885 1.737 1.012 0.915 0.889 0.778 CB 1.334 19 residues pruned to eliminate duplicates Z: 8 6.012 1.533 0.182 0.509 1.000 0.571 CB 1.244 9 residues pruned to eliminate duplicates Z: 16 14.690 1.792 0.336 0.923 1.000 1.000 CA 1.113 16 residues pruned to eliminate duplicates Z: 17 25.347 1.992 0.459 0.928 1.000 0.938 CA 1.528 17 residues pruned to eliminate duplicates Z: 6 5.195 1.705 0.457 0.613 0.800 0.400 CB 1.050 Z: 8 13.749 1.764 0.862 0.873 1.000 0.571 CB 1.152 7 residues pruned to eliminate duplicates Z: 27 11.245 1.710 0.294 0.331 0.923 0.500 CB 1.299 23 residues pruned to eliminate duplicates Z: 7 8.739 1.364 1.002 0.821 1.000 0.667 N 0.989 8 residues pruned to eliminate duplicates Z: 16 27.069 1.930 0.771 0.898 0.933 0.933 CB 1.567 16 residues pruned to eliminate duplicates Z: 11 6.798 1.708 0.597 0.312 0.900 0.700 N 1.079 Z: 16 4.491 1.549 0.391 0.257 0.667 0.333 CB 1.066 16 residues pruned to eliminate duplicates Z: 16 24.744 1.895 0.900 0.936 1.000 0.867 CA 1.236 16 residues pruned to eliminate duplicates Z: 7 4.984 1.556 0.779 0.369 0.833 0.667 CB 1.015 Z: 6 3.701 1.648 0.214 0.493 0.800 0.400 O 1.042 Z: 11 13.767 1.882 0.451 0.877 1.000 0.900 CB 1.157 11 residues pruned to eliminate duplicates Z: 12 9.980 1.591 0.556 0.563 1.000 0.636 CA 1.143 12 residues pruned to eliminate duplicates Z: 6 8.106 1.639 0.384 0.827 1.000 0.800 CA 1.205 6 residues pruned to eliminate duplicates Z: 7 7.566 1.731 0.362 0.641 1.000 0.833 CA 1.147 Z: 11 12.664 1.818 0.271 0.855 1.000 0.900 CA 1.279 11 residues pruned to eliminate duplicates Z: 8 2.598 1.435 0.890 0.209 0.429 0.429 CA 1.191 Z: 17 8.217 1.869 0.460 0.358 0.875 0.500 CB 1.003 17 residues pruned to eliminate duplicates Z: 17 10.570 2.038 0.738 0.298 0.812 0.625 CB 1.150 13 residues pruned to eliminate duplicates Z: 11 11.069 1.978 0.586 0.354 0.900 0.400 CB 1.452 15 residues pruned to eliminate duplicates Z: 18 8.138 1.739 0.362 0.404 0.824 0.529 CB 1.119 9 residues pruned to eliminate duplicates Z: 8 11.393 1.903 0.386 0.873 1.000 0.714 CB 1.189 8 residues pruned to eliminate duplicates Z: 11 8.285 1.783 0.394 0.583 0.900 0.700 CB 1.081 11 residues pruned to eliminate duplicates 7 1.669 1.507 0.568 0.830 1.000 0.833 CB 0.217 ? Z: 6 3.532 1.545 0.620 0.300 0.800 0.400 CB 0.986 Z: 16 30.619 1.960 0.927 0.907 0.933 0.600 CA 1.595 16 residues pruned to eliminate duplicates Z: 12 19.172 1.940 0.555 0.918 1.000 0.909 CA 1.351 12 residues pruned to eliminate duplicates Z: 8 2.828 1.304 0.510 0.326 0.714 0.429 CB 0.921 Z: 8 5.902 1.649 0.252 0.478 0.857 0.571 CA 1.289 Z: 9 14.589 1.673 0.939 0.859 1.000 1.000 CA 1.170 9 residues pruned to eliminate duplicates Z: 7 13.059 1.642 0.763 0.846 1.000 0.667 CA 1.369 7 residues pruned to eliminate duplicates Z: 9 6.747 1.592 0.283 0.510 0.875 0.375 CB 1.322 Z: 6 3.130 1.571 0.304 0.739 1.000 0.800 CB 0.552 6 residues pruned to eliminate duplicates Z: 8 9.052 1.585 0.876 0.672 0.857 0.714 O 1.146 8 residues pruned to eliminate duplicates Z: 6 4.357 1.234 0.448 0.803 1.000 0.800 CA 0.837 Z: 10 6.277 1.665 0.319 0.448 0.778 0.778 CA 1.292 9 residues pruned to eliminate duplicates Z: 13 9.563 1.673 0.675 0.487 0.833 0.333 CA 1.197 13 residues pruned to eliminate duplicates Z: 7 3.412 1.488 -0.054 0.411 1.000 0.500 CA 1.086 Z: 7 10.357 1.828 0.294 0.849 1.000 0.833 CB 1.325 7 residues pruned to eliminate duplicates Z: 10 5.439 1.735 0.006 0.440 0.778 0.444 CA 1.421 Z: 6 3.840 1.424 0.363 0.675 0.800 0.600 N 0.941 6 residues pruned to eliminate duplicates Z: 17 9.524 1.877 0.223 0.538 0.875 0.812 CA 1.142 17 residues pruned to eliminate duplicates Z: 10 3.780 1.352 0.568 0.482 0.778 0.556 CB 0.778 Z: 6 4.033 1.411 0.339 0.829 0.800 0.800 CB 0.898 6 residues pruned to eliminate duplicates Z: 6 4.724 1.363 0.462 0.788 1.000 0.600 CB 0.823 6 residues pruned to eliminate duplicates Z: 12 10.658 1.723 0.328 0.881 0.818 0.727 CB 1.244 12 residues pruned to eliminate duplicates Z: 13 6.084 1.660 0.436 0.447 0.583 0.500 CB 1.334 13 residues pruned to eliminate duplicates Z: 30 18.708 1.831 0.775 0.474 0.793 0.483 CB 1.384 49 residues pruned to eliminate duplicates Z: 8 6.141 1.701 0.239 0.407 1.000 0.429 CB 1.214 8 residues pruned to eliminate duplicates Z: 15 30.058 1.932 1.154 0.936 1.000 0.429 CA 1.344 15 residues pruned to eliminate duplicates Z: 13 14.003 1.763 0.738 0.883 1.000 0.833 CB 0.954 13 residues pruned to eliminate duplicates Z: 11 11.105 1.706 0.273 0.892 1.000 0.900 CB 1.162 11 residues pruned to eliminate duplicates Z: 18 14.323 1.870 0.378 0.530 0.882 0.529 CA 1.483 18 residues pruned to eliminate duplicates Z: 26 15.174 1.747 0.550 0.466 0.880 0.560 CA 1.319 16 residues pruned to eliminate duplicates Z: 8 5.012 1.629 0.047 0.849 0.857 0.714 CB 0.960 8 residues pruned to eliminate duplicates Z: 11 10.367 1.740 0.658 0.721 0.800 0.700 CB 1.164 11 residues pruned to eliminate duplicates Z: 6 5.166 1.621 0.486 0.579 0.800 0.600 CB 1.111 Z: 17 28.282 1.935 1.086 0.867 0.875 0.375 CB 1.465 17 residues pruned to eliminate duplicates Z: 13 16.245 1.668 0.849 0.843 0.917 0.833 CB 1.235 12 residues pruned to eliminate duplicates Z: 15 15.430 1.773 0.374 0.877 1.000 1.000 CB 1.229 15 residues pruned to eliminate duplicates Z: 17 24.976 1.886 0.767 0.901 0.938 0.625 CB 1.427 17 residues pruned to eliminate duplicates Z: 6 10.915 1.696 0.617 0.852 1.000 0.600 N 1.317 7 residues pruned to eliminate duplicates Z: 7 3.471 1.548 0.237 0.310 1.000 0.667 CB 0.913 7 residues pruned to eliminate duplicates Z: 13 20.165 1.825 0.879 0.898 1.000 0.667 CB 1.214 14 residues pruned to eliminate duplicates Z: 22 24.050 1.936 0.530 0.802 0.952 0.714 CB 1.428 22 residues pruned to eliminate duplicates Z: 17 27.936 1.915 0.643 0.888 1.000 0.688 CA 1.598 17 residues pruned to eliminate duplicates Z: 17 25.247 2.085 0.633 0.766 0.938 0.438 CB 1.562 18 residues pruned to eliminate duplicates Z: 36 13.482 1.687 0.523 0.414 0.800 0.429 CB 1.214 36 residues pruned to eliminate duplicates Z: 7 3.075 1.642 0.290 0.458 0.833 0.500 CB 0.743 Z: 6 2.985 1.606 0.397 0.460 0.800 0.600 CB 0.775 Z: 10 8.754 1.961 0.620 0.292 0.778 0.444 CB 1.492 10 residues pruned to eliminate duplicates Z: 10 10.747 1.613 0.474 0.846 1.000 1.000 CB 1.120 10 residues pruned to eliminate duplicates Z: 6 6.868 1.514 0.365 0.829 1.000 0.800 CB 1.118 6 residues pruned to eliminate duplicates Z: 16 22.665 1.881 0.840 0.921 1.000 0.733 CA 1.190 16 residues pruned to eliminate duplicates Z: 7 4.118 1.504 0.640 0.755 1.000 0.333 CB 0.543 Z: 17 19.135 1.914 0.537 0.817 1.000 0.812 CA 1.235 17 residues pruned to eliminate duplicates Z: 7 2.164 1.520 0.332 0.396 0.667 0.500 CB 0.731 Z: 22 22.882 1.893 0.527 0.780 0.952 0.714 CA 1.417 22 residues pruned to eliminate duplicates Z: 15 14.989 1.808 0.396 0.838 1.000 0.714 CB 1.187 14 residues pruned to eliminate duplicates Z: 17 14.093 1.731 0.450 0.791 0.875 0.688 CB 1.242 17 residues pruned to eliminate duplicates Z: 11 11.122 1.757 0.602 0.649 0.900 0.600 CB 1.209 11 residues pruned to eliminate duplicates Z: 17 23.240 1.958 0.480 0.868 1.000 0.812 CA 1.465 17 residues pruned to eliminate duplicates Z: 20 8.913 1.739 0.433 0.410 0.842 0.684 CB 1.071 16 residues pruned to eliminate duplicates Z: 13 7.588 2.085 0.546 0.315 0.833 0.667 CB 1.001 13 residues pruned to eliminate duplicates Z: 6 4.198 1.918 0.074 0.643 0.800 0.800 CB 0.997 Z: 27 11.117 1.671 0.423 0.376 0.769 0.500 N 1.361 30 residues pruned to eliminate duplicates 6 0.750 1.529 0.326 0.889 1.000 1.000 CB 0.119 ? Z: 16 27.914 1.893 1.183 0.944 1.000 0.800 CA 1.208 16 residues pruned to eliminate duplicates Z: 33 24.760 1.904 0.710 0.536 0.938 0.688 CB 1.384 33 residues pruned to eliminate duplicates Z: 25 11.088 1.763 0.303 0.445 0.792 0.542 CA 1.317 25 residues pruned to eliminate duplicates Z: 10 13.965 1.659 0.596 0.855 1.000 0.667 CB 1.297 10 residues pruned to eliminate duplicates Z: 10 2.191 1.427 0.535 0.236 0.667 0.333 CB 0.679 Z: 18 28.431 1.838 0.862 0.936 1.000 0.765 CB 1.403 17 residues pruned to eliminate duplicates Z: 18 17.776 1.791 0.676 0.749 0.941 0.647 CB 1.222 19 residues pruned to eliminate duplicates Z: 26 18.217 1.767 0.709 0.582 0.880 0.440 CB 1.267 26 residues pruned to eliminate duplicates Z: 14 14.157 1.855 0.221 0.905 1.000 0.923 CB 1.234 14 residues pruned to eliminate duplicates Z: 8 3.805 1.329 0.608 0.402 0.714 0.429 O 1.044 Z: 8 3.814 1.564 0.556 0.326 0.714 0.286 CA 1.004 8 residues pruned to eliminate duplicates Z: 6 14.213 1.822 0.947 0.849 1.000 0.600 CB 1.328 6 residues pruned to eliminate duplicates Z: 21 21.412 1.915 0.433 0.778 1.000 0.600 CA 1.364 21 residues pruned to eliminate duplicates Z: 17 6.677 1.365 0.681 0.440 0.875 0.500 CB 0.885 Z: 11 11.288 1.512 0.580 0.773 1.000 0.600 CB 1.174 11 residues pruned to eliminate duplicates Z: 11 8.867 1.741 0.684 0.741 0.800 0.500 CB 0.963 11 residues pruned to eliminate duplicates Z: 19 15.031 1.716 0.425 0.622 0.944 0.778 CB 1.367 18 residues pruned to eliminate duplicates Z: 11 12.784 1.820 0.375 0.866 1.000 1.000 CB 1.183 11 residues pruned to eliminate duplicates Z: 19 12.664 1.806 0.299 0.845 1.000 0.778 CA 0.946 19 residues pruned to eliminate duplicates Z: 9 7.810 1.807 0.288 0.527 0.875 0.375 CB 1.321 9 residues pruned to eliminate duplicates Z: 9 9.232 1.511 0.615 0.796 1.000 0.500 CB 1.032 Z: 11 3.420 1.465 0.430 0.201 0.600 0.400 N 1.227 Z: 9 7.386 1.586 0.239 0.672 0.875 0.750 N 1.296 9 residues pruned to eliminate duplicates Z: 12 4.647 1.535 0.272 0.376 0.818 0.364 N 1.001 12 residues pruned to eliminate duplicates Z: 19 20.983 1.752 0.522 0.890 1.000 0.889 CA 1.335 19 residues pruned to eliminate duplicates Z: 15 13.430 1.768 0.368 0.839 1.000 0.857 CB 1.108 15 residues pruned to eliminate duplicates Z: 27 10.372 1.818 0.661 0.313 0.808 0.538 CB 1.025 27 residues pruned to eliminate duplicates Z: 17 24.578 1.895 0.560 0.944 1.000 1.000 CB 1.440 17 residues pruned to eliminate duplicates Z: 9 8.571 1.827 0.125 0.879 0.875 0.750 CB 1.222 9 residues pruned to eliminate duplicates Z: 6 6.126 1.275 0.726 0.872 1.000 0.600 CA 0.907 6 residues pruned to eliminate duplicates Z: 14 19.006 1.848 0.471 0.919 1.000 1.000 CB 1.367 21 residues pruned to eliminate duplicates Z: 16 27.091 1.891 0.972 0.925 1.000 0.667 CA 1.317 16 residues pruned to eliminate duplicates Z: 6 3.757 1.682 0.165 0.488 0.800 0.600 CB 1.084 6 residues pruned to eliminate duplicates Z: 7 9.377 1.643 1.148 0.888 0.833 0.500 N 0.938 7 residues pruned to eliminate duplicates Z: 10 19.115 1.926 1.009 0.765 0.889 0.778 CA 1.464 Z: 7 3.286 1.488 0.703 0.609 0.667 0.500 CB 0.716 Z: 8 8.625 1.700 0.516 0.872 1.000 0.571 CB 0.922 8 residues pruned to eliminate duplicates Z: 9 4.756 1.487 0.680 0.391 0.750 0.750 CB 1.007 15 residues pruned to eliminate duplicates Z: 6 8.079 1.509 0.965 0.809 0.800 0.800 CA 1.164 6 residues pruned to eliminate duplicates Z: 6 4.501 1.628 1.285 0.804 0.800 0.600 CB 0.518 Z: 7 2.679 1.364 0.528 0.246 0.667 0.500 O 1.055 Z: 11 5.021 1.593 0.165 0.439 0.800 0.600 CB 1.139 11 residues pruned to eliminate duplicates Z: 11 16.049 1.817 0.639 0.850 1.000 0.700 CB 1.262 11 residues pruned to eliminate duplicates Z: 13 11.125 1.894 0.715 0.474 0.917 0.667 CB 1.107 13 residues pruned to eliminate duplicates Z: 8 3.680 1.531 0.275 0.829 1.000 0.857 CB 0.536 Z: 12 20.637 1.902 0.957 0.913 1.000 0.727 CB 1.183 14 residues pruned to eliminate duplicates Z: 14 9.026 1.604 0.707 0.851 0.846 0.615 CB 0.800 14 residues pruned to eliminate duplicates Z: 6 3.101 1.389 0.130 0.465 1.000 0.600 N 0.916 Z: 10 10.838 1.794 0.551 0.916 1.000 0.667 CB 0.917 10 residues pruned to eliminate duplicates Z: 9 14.036 1.649 1.059 0.819 1.000 0.750 CB 1.108 9 residues pruned to eliminate duplicates Z: 10 8.401 1.720 0.823 0.542 0.778 0.556 CB 1.102 15 residues pruned to eliminate duplicates Z: 7 3.228 1.616 -0.070 0.575 0.833 0.500 CB 0.979 7 residues pruned to eliminate duplicates Z: 9 8.696 1.563 0.237 0.822 1.000 0.875 N 1.204 8 residues pruned to eliminate duplicates Z: 6 6.581 1.649 0.415 0.606 1.000 0.600 CB 1.141 6 residues pruned to eliminate duplicates Z: 13 14.121 1.924 0.235 0.921 1.000 1.000 CA 1.208 13 residues pruned to eliminate duplicates Z: 10 3.755 1.583 0.272 0.328 0.667 0.444 CB 1.126 9 residues pruned to eliminate duplicates Z: 9 9.032 1.736 0.912 0.830 0.750 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 9 8.545 1.838 0.498 0.522 1.000 0.875 CB 1.073 9 residues pruned to eliminate duplicates Z: 11 5.007 1.538 0.616 0.299 0.700 0.400 N 1.139 Z: 9 3.279 1.435 0.247 0.274 0.875 0.500 CB 0.956 Z: 9 6.050 1.654 0.337 0.582 0.750 0.625 CA 1.192 12 residues pruned to eliminate duplicates Z: 10 6.452 1.601 0.104 0.873 1.000 1.000 CB 0.886 8 residues pruned to eliminate duplicates Z: 21 10.531 1.763 0.387 0.419 0.900 0.600 CB 1.165 21 residues pruned to eliminate duplicates Z: 18 27.795 1.760 0.948 0.916 1.000 0.529 CB 1.389 19 residues pruned to eliminate duplicates Z: 9 2.525 1.578 0.610 0.322 0.875 0.500 CB 0.489 Z: 15 19.005 1.822 0.819 0.935 0.929 0.714 CB 1.149 15 residues pruned to eliminate duplicates Z: 25 13.535 1.825 0.465 0.429 0.917 0.500 CB 1.213 25 residues pruned to eliminate duplicates Z: 15 4.510 1.633 0.398 0.237 0.714 0.214 CB 1.003 15 residues pruned to eliminate duplicates Z: 11 6.653 1.794 0.413 0.437 0.800 0.700 CB 1.107 11 residues pruned to eliminate duplicates Z: 6 6.982 1.681 0.280 0.849 1.000 0.800 N 1.076 6 residues pruned to eliminate duplicates Z: 6 5.188 1.533 0.446 0.626 0.800 0.600 CB 1.162 6 residues pruned to eliminate duplicates Z: 6 6.567 1.835 0.847 0.791 0.600 0.600 CB 1.118 6 residues pruned to eliminate duplicates Z: 8 4.860 1.512 0.144 0.485 0.857 0.429 O 1.257 8 residues pruned to eliminate duplicates Z: 24 8.772 1.808 0.284 0.351 0.870 0.478 CB 1.065 18 residues pruned to eliminate duplicates Z: 7 5.312 1.511 0.234 0.762 0.833 0.667 CB 1.106 7 residues pruned to eliminate duplicates Z: 9 4.330 1.555 0.261 0.527 0.875 0.500 CB 0.869 9 residues pruned to eliminate duplicates Z: 16 23.108 2.098 0.592 0.721 0.933 0.733 CA 1.567 16 residues pruned to eliminate duplicates Z: 16 15.284 1.733 0.522 0.880 0.933 0.733 CA 1.162 16 residues pruned to eliminate duplicates Z: 24 11.284 1.672 0.171 0.664 0.870 0.652 CB 1.188 24 residues pruned to eliminate duplicates Z: 9 3.502 1.619 0.129 0.542 0.625 0.500 CB 1.040 9 residues pruned to eliminate duplicates Z: 15 9.859 1.714 0.535 0.423 1.000 0.571 CB 1.085 14 residues pruned to eliminate duplicates Z: 7 2.421 1.415 0.326 0.290 0.667 0.333 CB 0.999 Z: 12 6.292 1.734 0.455 0.417 0.818 0.455 CB 1.002 12 residues pruned to eliminate duplicates Z: 15 24.604 1.871 0.987 0.933 1.000 0.857 CA 1.234 15 residues pruned to eliminate duplicates Z: 18 13.431 1.816 0.551 0.531 0.941 0.529 CB 1.191 18 residues pruned to eliminate duplicates Z: 12 15.435 1.879 0.882 0.740 0.727 0.273 CB 1.459 12 residues pruned to eliminate duplicates Z: 8 7.214 1.661 0.439 0.515 0.857 0.714 CA 1.311 15 residues pruned to eliminate duplicates Z: 15 27.366 1.947 0.728 0.923 1.000 1.000 CA 1.527 15 residues pruned to eliminate duplicates Z: 15 11.125 1.643 0.448 0.803 0.929 0.429 CB 1.033 15 residues pruned to eliminate duplicates Z: 11 4.626 1.566 0.176 0.385 0.700 0.300 CB 1.282 11 residues pruned to eliminate duplicates Z: 17 27.615 1.893 0.752 0.925 1.000 0.875 CB 1.462 17 residues pruned to eliminate duplicates Z: 7 3.788 1.722 0.026 0.648 1.000 0.667 CB 0.762 7 residues pruned to eliminate duplicates Z: 9 11.338 1.549 1.049 0.869 1.000 1.000 CB 0.923 9 residues pruned to eliminate duplicates Z: 7 8.219 1.930 0.466 0.861 0.833 0.667 CB 1.046 7 residues pruned to eliminate duplicates Z: 15 13.067 1.797 0.333 0.894 0.929 0.929 CA 1.126 15 residues pruned to eliminate duplicates Z: 6 9.138 1.622 0.792 0.863 1.000 0.800 CA 1.031 6 residues pruned to eliminate duplicates Z: 7 9.760 1.801 0.432 0.858 1.000 1.000 CB 1.138 7 residues pruned to eliminate duplicates 9 1.695 1.425 0.846 0.177 0.500 0.375 CB 0.672 ? 6 1.179 1.252 0.127 0.261 0.800 0.600 N 0.614 ? Z: 9 3.000 1.425 0.290 0.238 0.750 0.375 CB 1.042 2 residues pruned to eliminate duplicates Z: 16 19.492 1.871 0.326 0.908 1.000 1.000 CA 1.440 16 residues pruned to eliminate duplicates Z: 11 15.458 1.855 0.611 0.650 1.000 0.600 CB 1.422 15 residues pruned to eliminate duplicates Z: 7 5.331 1.786 0.247 0.568 1.000 0.500 CB 0.915 7 residues pruned to eliminate duplicates Z: 8 11.322 1.573 0.554 0.870 1.000 1.000 N 1.278 9 residues pruned to eliminate duplicates Z: 11 8.285 1.428 0.583 0.839 1.000 0.500 CB 0.866 9 residues pruned to eliminate duplicates 7 1.800 1.429 0.203 0.146 0.833 0.167 CB 0.794 ? Z: 9 14.358 1.972 0.516 0.857 1.000 0.875 CB 1.251 9 residues pruned to eliminate duplicates Z: 14 13.339 1.839 0.464 0.919 0.923 0.923 CA 1.049 14 residues pruned to eliminate duplicates Z: 8 8.571 1.560 0.360 0.822 1.000 0.857 CA 1.154 8 residues pruned to eliminate duplicates Z: 13 12.804 1.876 0.712 0.587 0.750 0.250 CB 1.411 8 residues pruned to eliminate duplicates Z: 6 4.007 1.763 0.146 0.606 0.800 0.800 CB 1.002 Z: 9 7.707 1.655 0.260 0.893 1.000 0.875 CB 0.938 9 residues pruned to eliminate duplicates Z: 8 4.259 1.195 0.586 0.805 1.000 0.714 CB 0.651 Z: 7 3.195 1.534 0.026 0.648 1.000 0.500 CB 0.722 6 residues pruned to eliminate duplicates Z: 21 23.966 1.920 0.694 0.753 1.000 0.700 CB 1.315 21 residues pruned to eliminate duplicates Z: 8 4.807 1.651 0.937 0.822 0.714 0.429 CB 0.602 Z: 11 6.783 1.559 0.691 0.702 0.700 0.400 CA 0.967 11 residues pruned to eliminate duplicates Z: 11 3.549 1.448 0.115 0.338 0.800 0.400 CB 1.038 6 residues pruned to eliminate duplicates Z: 7 4.021 1.439 0.393 0.506 0.833 0.833 CB 0.977 6 1.961 1.286 0.379 0.388 0.600 0.400 N 0.929 ? Z: 8 3.486 1.412 0.625 0.428 0.714 0.571 CB 0.866 7 1.772 1.129 0.623 0.197 0.833 0.333 CB 0.679 ? Z: 28 14.739 1.736 0.608 0.462 0.852 0.481 CB 1.241 30 residues pruned to eliminate duplicates Z: 12 8.121 1.617 0.845 0.807 0.909 0.364 CB 0.691 12 residues pruned to eliminate duplicates Z: 24 14.557 1.736 0.608 0.583 0.826 0.565 CB 1.216 24 residues pruned to eliminate duplicates Z: 7 5.341 1.607 0.283 0.888 1.000 1.000 CB 0.762 7 residues pruned to eliminate duplicates Z: 25 26.367 1.814 0.784 0.694 0.958 0.750 CA 1.453 25 residues pruned to eliminate duplicates Z: 8 5.735 1.634 0.573 0.774 1.000 0.857 CB 0.662 Z: 12 4.656 1.530 0.181 0.340 0.727 0.455 CA 1.272 Z: 19 18.563 1.879 0.687 0.576 0.944 0.778 CB 1.358 19 residues pruned to eliminate duplicates Z: 10 3.358 1.404 0.197 0.371 0.889 0.444 CB 0.860 7 residues pruned to eliminate duplicates 6 0.239 1.534 0.703 0.864 1.000 1.000 CB 0.030 ? Z: 19 18.508 1.827 0.625 0.832 0.944 0.667 CB 1.168 19 residues pruned to eliminate duplicates Z: 20 9.701 1.519 0.865 0.415 0.684 0.579 CB 1.255 20 residues pruned to eliminate duplicates Z: 8 6.630 1.615 0.213 0.870 1.000 0.857 CB 0.934 8 residues pruned to eliminate duplicates Z: 8 4.595 1.443 0.563 0.214 1.000 0.571 N 1.079 7 1.898 1.460 0.202 0.244 0.667 0.667 C 0.891 ? Z: 10 11.374 1.684 0.808 0.845 1.000 0.556 CB 0.926 10 residues pruned to eliminate duplicates Z: 7 4.652 1.488 0.383 0.604 1.000 0.333 CB 0.837 Z: 16 12.304 1.917 0.404 0.520 0.800 0.467 CB 1.447 16 residues pruned to eliminate duplicates Z: 7 5.926 1.555 1.002 0.306 1.000 0.667 C 0.964 Z: 6 5.585 1.649 0.508 0.819 0.800 0.400 CB 0.952 6 residues pruned to eliminate duplicates Z: 13 11.378 1.818 0.471 0.599 1.000 0.750 CB 1.118 13 residues pruned to eliminate duplicates Z: 17 5.179 1.765 0.435 0.226 0.812 0.625 CB 0.867 17 residues pruned to eliminate duplicates Z: 12 16.896 1.611 0.847 0.812 1.000 0.636 CA 1.305 10 residues pruned to eliminate duplicates Z: 11 3.007 1.580 0.018 0.399 0.800 0.600 CB 0.822 Z: 7 2.298 1.442 0.518 0.455 0.667 0.667 N 0.673 Z: 19 9.204 1.551 0.441 0.381 0.889 0.722 N 1.239 17 residues pruned to eliminate duplicates Z: 23 15.110 1.931 0.587 0.420 0.909 0.500 CB 1.258 18 residues pruned to eliminate duplicates Z: 18 14.963 1.885 0.538 0.568 0.941 0.706 CA 1.246 29 residues pruned to eliminate duplicates Z: 6 6.678 1.770 0.519 0.610 0.800 0.400 CB 1.251 Z: 23 29.718 2.035 0.943 0.684 0.955 0.773 CB 1.418 24 residues pruned to eliminate duplicates Z: 22 8.431 1.675 0.433 0.355 0.857 0.571 CB 1.045 22 residues pruned to eliminate duplicates Z: 11 9.017 1.727 0.388 0.729 0.800 0.500 CB 1.210 11 residues pruned to eliminate duplicates Z: 9 5.009 1.395 0.356 0.784 0.875 0.625 CA 0.833 9 residues pruned to eliminate duplicates Z: 21 12.034 1.874 0.472 0.356 0.950 0.650 CB 1.200 21 residues pruned to eliminate duplicates Z: 7 8.793 1.567 0.458 0.783 1.000 0.667 CA 1.224 Z: 8 3.043 1.557 0.115 0.463 0.857 0.429 CB 0.802 8 residues pruned to eliminate duplicates Z: 6 4.050 1.557 0.282 0.528 0.800 0.600 CB 1.104 Z: 6 5.295 1.240 0.655 0.675 1.000 0.800 CA 0.982 Z: 8 10.125 1.811 0.552 0.625 1.000 1.000 CA 1.211 8 residues pruned to eliminate duplicates Z: 20 8.509 1.650 0.639 0.277 0.684 0.368 CB 1.357 20 residues pruned to eliminate duplicates Z: 10 7.262 1.736 0.318 0.471 0.778 0.667 CB 1.402 10 residues pruned to eliminate duplicates Z: 8 5.782 1.533 0.294 0.556 0.857 0.571 N 1.216 8 residues pruned to eliminate duplicates Z: 6 10.537 1.727 0.931 0.861 1.000 0.800 N 1.039 6 residues pruned to eliminate duplicates Z: 16 8.920 1.551 0.772 0.398 0.800 0.600 CB 1.166 Z: 10 6.419 1.711 0.591 0.485 0.556 0.444 CA 1.436 10 residues pruned to eliminate duplicates Z: 8 4.959 1.522 0.470 0.574 0.714 0.714 CB 1.093 Z: 23 14.954 1.780 0.372 0.540 1.000 0.591 CB 1.255 39 residues pruned to eliminate duplicates Z: 9 8.254 1.602 0.348 0.812 1.000 0.750 CB 1.030 9 residues pruned to eliminate duplicates Z: 16 18.565 1.851 0.489 0.914 0.933 0.933 CB 1.317 16 residues pruned to eliminate duplicates Z: 8 2.362 1.302 0.120 0.214 0.857 0.429 CA 1.001 16 residues pruned to eliminate duplicates 6 1.293 1.264 0.468 0.297 0.600 0.400 CB 0.652 ? Z: 9 5.444 1.597 0.092 0.761 0.875 0.500 CB 1.000 9 residues pruned to eliminate duplicates Z: 7 6.463 1.358 0.719 0.785 0.833 0.833 CB 1.056 Z: 7 6.336 1.519 0.619 0.791 1.000 0.667 CA 0.815 7 residues pruned to eliminate duplicates Z: 19 20.514 1.838 0.589 0.672 1.000 0.611 CB 1.413 19 residues pruned to eliminate duplicates Z: 8 3.671 1.379 0.525 0.262 1.000 0.571 CB 0.866 Z: 8 5.110 1.547 0.547 0.497 0.857 0.714 CB 0.944 Z: 14 25.605 1.950 0.901 0.919 0.923 0.462 CA 1.462 14 residues pruned to eliminate duplicates Z: 6 9.307 1.671 0.551 0.722 1.000 0.800 CA 1.314 7 residues pruned to eliminate duplicates Z: 6 2.759 1.309 0.550 0.498 0.800 0.600 CA 0.761 Z: 11 10.803 1.614 0.344 0.873 1.000 0.900 CB 1.147 11 residues pruned to eliminate duplicates Z: 8 2.430 1.317 0.687 0.291 0.571 0.571 N 0.914 Z: 27 19.960 1.776 0.833 0.692 0.885 0.538 CB 1.141 27 residues pruned to eliminate duplicates Z: 10 4.565 1.668 0.461 0.477 0.889 0.333 CB 0.719 10 residues pruned to eliminate duplicates 6 1.293 1.650 0.685 0.880 1.000 0.800 CB 0.151 ? Z: 8 3.871 1.694 -0.042 0.466 0.714 0.429 CB 1.307 8 residues pruned to eliminate duplicates Z: 7 3.418 1.652 -0.062 0.343 0.833 0.500 N 1.281 6 1.455 1.660 -0.214 0.326 0.600 0.400 CB 1.006 ? Z: 16 12.648 1.872 0.446 0.561 0.933 0.733 CA 1.218 16 residues pruned to eliminate duplicates Z: 10 3.569 1.632 0.332 0.336 0.889 0.667 CB 0.736 Z: 23 12.921 1.819 0.732 0.491 0.727 0.182 CB 1.213 27 residues pruned to eliminate duplicates Z: 24 18.491 1.877 0.683 0.504 0.957 0.522 CB 1.271 24 residues pruned to eliminate duplicates Z: 11 18.955 2.035 0.919 0.860 0.800 0.300 CB 1.411 11 residues pruned to eliminate duplicates 8 1.962 1.374 0.082 0.342 0.857 0.286 CB 0.692 ? Using tripeptides from previous cycle as seeds Z: 8 7.220 1.779 0.271 0.534 1.000 0.857 CA 1.167 8 residues pruned to eliminate duplicates Z: 9 6.373 1.757 0.470 0.490 0.875 0.500 CA 1.007 9 residues pruned to eliminate duplicates Z: 7 8.954 1.845 0.275 0.605 1.000 0.333 CA 1.407 7 residues pruned to eliminate duplicates Z: 9 6.746 1.687 0.357 0.858 1.000 0.500 CB 0.767 9 residues pruned to eliminate duplicates Z: 10 9.112 1.610 0.652 0.788 1.000 0.556 CB 0.887 12 residues pruned to eliminate duplicates Z: 10 7.461 1.615 0.325 0.714 0.889 0.667 CB 1.077 8 residues pruned to eliminate duplicates Z: 8 11.588 1.680 0.530 0.879 1.000 0.857 CA 1.236 8 residues pruned to eliminate duplicates Z: 7 4.505 1.498 0.809 0.460 0.833 0.500 CB 0.849 7 residues pruned to eliminate duplicates Z: 9 4.491 1.567 0.510 0.424 0.750 0.250 N 0.969 9 residues pruned to eliminate duplicates Z: 8 6.432 1.678 0.611 0.491 0.857 0.429 CB 1.059 8 residues pruned to eliminate duplicates Z: 9 7.203 1.580 0.594 0.698 0.875 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 9 7.419 1.554 0.605 0.673 0.875 0.500 CB 1.025 9 residues pruned to eliminate duplicates Z: 9 8.246 1.629 0.493 0.691 0.875 0.625 CB 1.150 10 residues pruned to eliminate duplicates Z: 7 9.139 1.575 0.954 0.724 1.000 0.667 CB 0.991 12 residues pruned to eliminate duplicates Z: 7 4.817 1.737 0.301 0.655 0.833 0.333 CB 0.904 7 residues pruned to eliminate duplicates Z: 6 5.617 1.890 0.231 0.536 1.000 0.800 CB 1.043 6 residues pruned to eliminate duplicates Z: 7 6.775 1.897 0.327 0.568 0.833 0.500 CB 1.234 7 residues pruned to eliminate duplicates Z: 19 15.094 1.948 0.268 0.516 0.944 0.722 CA 1.500 19 residues pruned to eliminate duplicates Z: 17 15.713 1.878 0.374 0.659 0.938 0.812 CA 1.401 17 residues pruned to eliminate duplicates Z: 18 12.908 1.840 0.185 0.508 1.000 0.647 CA 1.425 18 residues pruned to eliminate duplicates Z: 20 14.304 1.864 0.222 0.563 0.947 0.789 CA 1.431 20 residues pruned to eliminate duplicates Z: 6 7.243 1.689 0.103 0.856 1.000 1.000 O 1.282 6 residues pruned to eliminate duplicates Z: 19 14.417 1.902 0.303 0.535 0.944 0.722 CA 1.402 19 residues pruned to eliminate duplicates Z: 20 15.573 1.906 0.599 0.594 0.789 0.526 CB 1.356 20 residues pruned to eliminate duplicates Z: 18 22.776 1.976 0.689 0.677 1.000 0.588 CB 1.406 20 residues pruned to eliminate duplicates Z: 13 18.722 1.861 0.652 0.895 0.917 0.833 CB 1.374 13 residues pruned to eliminate duplicates Z: 19 21.629 1.972 0.542 0.574 0.944 0.722 CB 1.653 19 residues pruned to eliminate duplicates Z: 19 19.074 1.934 0.559 0.595 1.000 0.556 CB 1.362 17 residues pruned to eliminate duplicates Z: 14 22.859 1.948 0.717 0.931 1.000 0.769 CB 1.324 14 residues pruned to eliminate duplicates Z: 18 21.359 1.960 0.646 0.589 0.941 0.647 CA 1.567 18 residues pruned to eliminate duplicates Z: 24 21.106 1.826 0.863 0.601 0.826 0.565 CB 1.422 24 residues pruned to eliminate duplicates Z: 22 23.469 1.878 0.552 0.655 1.000 0.571 CB 1.520 24 residues pruned to eliminate duplicates Z: 13 23.156 1.967 0.657 0.920 1.000 0.833 CB 1.444 13 residues pruned to eliminate duplicates Z: 22 21.542 1.866 0.761 0.669 0.905 0.762 CB 1.352 22 residues pruned to eliminate duplicates Z: 21 19.008 1.839 0.532 0.732 0.950 0.700 CB 1.289 19 residues pruned to eliminate duplicates Z: 11 14.917 1.827 0.614 0.826 1.000 0.600 CB 1.206 11 residues pruned to eliminate duplicates Z: 12 8.688 1.761 0.510 0.689 0.818 0.545 CB 1.013 12 residues pruned to eliminate duplicates Z: 10 14.295 1.946 0.683 0.743 1.000 0.778 CB 1.171 10 residues pruned to eliminate duplicates Z: 8 7.269 1.881 0.809 0.706 0.714 0.571 CB 0.937 8 residues pruned to eliminate duplicates Z: 12 7.304 1.704 0.751 0.593 0.909 0.455 CB 0.743 12 residues pruned to eliminate duplicates Z: 11 10.010 1.820 0.471 0.713 0.900 0.700 CB 1.083 11 residues pruned to eliminate duplicates Z: 13 8.795 1.679 0.551 0.588 0.833 0.583 CB 1.075 13 residues pruned to eliminate duplicates Z: 12 11.210 1.792 0.741 0.662 0.909 0.545 CB 1.025 12 residues pruned to eliminate duplicates Z: 12 10.034 1.771 0.355 0.772 0.818 0.636 CB 1.211 12 residues pruned to eliminate duplicates Z: 7 13.701 1.830 0.507 0.733 1.000 0.833 O 1.645 Z: 6 4.668 1.403 0.421 0.432 1.000 0.600 CA 1.124 6 residues pruned to eliminate duplicates Z: 7 9.737 1.935 0.506 0.522 1.000 0.833 CB 1.335 14 residues pruned to eliminate duplicates Z: 10 6.921 1.713 0.417 0.444 0.778 0.444 CB 1.294 8 residues pruned to eliminate duplicates Z: 6 4.834 1.647 0.456 0.583 0.800 0.600 CB 1.041 6 residues pruned to eliminate duplicates Z: 8 4.824 1.538 0.567 0.456 0.857 0.429 CB 0.923 7 residues pruned to eliminate duplicates Z: 6 6.696 1.393 0.485 0.747 1.000 0.600 N 1.160 6 residues pruned to eliminate duplicates Z: 6 9.668 1.493 0.951 0.803 1.000 1.000 N 1.139 6 residues pruned to eliminate duplicates Z: 7 11.597 1.537 0.816 0.822 1.000 0.833 N 1.283 6 residues pruned to eliminate duplicates Z: 6 3.819 1.541 0.577 0.452 0.800 0.800 CA 0.923 6 residues pruned to eliminate duplicates Z: 13 7.675 1.790 0.352 0.281 0.833 0.333 CA 1.406 14 residues pruned to eliminate duplicates Z: 6 4.065 1.784 0.154 0.452 1.000 0.400 CB 0.927 6 residues pruned to eliminate duplicates Z: 13 9.737 1.724 0.660 0.260 1.000 0.583 CA 1.292 12 residues pruned to eliminate duplicates Z: 6 7.109 1.813 0.441 0.332 1.000 0.400 CB 1.463 8 residues pruned to eliminate duplicates Z: 12 13.504 1.903 0.374 0.827 1.000 0.727 CB 1.174 11 residues pruned to eliminate duplicates Z: 11 14.511 2.016 0.509 0.832 1.000 0.800 CB 1.133 11 residues pruned to eliminate duplicates Z: 18 11.978 1.732 0.545 0.600 0.941 0.647 CB 1.049 18 residues pruned to eliminate duplicates Z: 16 9.177 1.809 0.742 0.548 0.867 0.333 CB 0.828 16 residues pruned to eliminate duplicates Z: 15 9.603 1.774 0.788 0.607 0.786 0.429 CB 0.930 15 residues pruned to eliminate duplicates Z: 21 11.931 1.687 0.688 0.494 0.850 0.500 CB 1.109 14 residues pruned to eliminate duplicates Z: 13 12.457 1.725 0.918 0.737 0.917 0.500 CB 0.959 13 residues pruned to eliminate duplicates Z: 12 14.938 1.886 0.744 0.653 1.000 0.455 CA 1.187 12 residues pruned to eliminate duplicates Z: 14 11.586 1.876 0.729 0.621 0.846 0.615 CB 1.045 21 residues pruned to eliminate duplicates Z: 14 11.546 1.838 0.556 0.804 0.846 0.615 CB 1.015 33 residues pruned to eliminate duplicates Z: 6 2.315 1.190 0.830 0.356 0.800 0.600 N 0.695 Z: 6 3.491 1.575 0.072 0.726 0.800 0.400 CB 0.943 6 residues pruned to eliminate duplicates Z: 10 6.410 1.452 0.460 0.437 0.889 0.556 CB 1.210 9 residues pruned to eliminate duplicates Z: 6 5.067 1.671 0.366 0.738 0.800 0.800 CB 1.002 6 residues pruned to eliminate duplicates Z: 8 4.757 1.624 0.710 0.343 0.714 0.571 CB 1.074 8 residues pruned to eliminate duplicates Z: 8 5.323 1.757 0.323 0.414 1.000 0.571 CB 0.948 8 residues pruned to eliminate duplicates Z: 7 6.210 1.768 0.719 0.545 0.833 0.667 CB 0.958 7 residues pruned to eliminate duplicates Z: 9 6.258 1.622 0.765 0.434 0.875 0.500 CB 0.946 9 residues pruned to eliminate duplicates Z: 8 8.934 1.789 0.317 0.550 1.000 0.429 CB 1.365 8 residues pruned to eliminate duplicates Z: 8 8.723 1.823 0.344 0.491 1.000 0.571 CB 1.357 7 residues pruned to eliminate duplicates Z: 6 3.989 1.549 0.415 0.402 1.000 0.400 CA 0.902 6 residues pruned to eliminate duplicates Z: 7 4.509 1.351 0.402 0.696 1.000 0.500 CB 0.812 Z: 6 7.201 1.525 0.538 0.660 1.000 0.600 CB 1.183 7 residues pruned to eliminate duplicates Z: 7 8.956 1.956 0.589 0.514 0.833 0.167 CB 1.393 7 residues pruned to eliminate duplicates Z: 22 11.322 1.797 0.495 0.393 0.762 0.571 CB 1.351 22 residues pruned to eliminate duplicates Z: 25 15.493 1.923 0.370 0.446 0.875 0.708 CB 1.449 25 residues pruned to eliminate duplicates Z: 48 24.253 1.875 0.557 0.564 0.830 0.511 CB 1.372 48 residues pruned to eliminate duplicates Z: 21 11.148 1.777 0.459 0.495 0.850 0.650 CA 1.136 21 residues pruned to eliminate duplicates Z: 27 11.297 1.785 0.413 0.432 0.808 0.615 CB 1.167 27 residues pruned to eliminate duplicates Z: 20 15.935 1.903 0.587 0.504 0.895 0.737 CA 1.347 20 residues pruned to eliminate duplicates Z: 52 26.767 1.856 0.578 0.516 0.902 0.549 CB 1.395 64 residues pruned to eliminate duplicates Z: 23 16.138 1.857 0.511 0.423 1.000 0.636 CB 1.328 23 residues pruned to eliminate duplicates Z: 42 21.585 1.858 0.468 0.499 0.878 0.561 CB 1.409 42 residues pruned to eliminate duplicates Z: 25 12.971 1.818 0.484 0.428 0.875 0.417 CB 1.208 25 residues pruned to eliminate duplicates Z: 23 11.207 1.818 0.559 0.338 0.818 0.545 CA 1.230 23 residues pruned to eliminate duplicates Z: 24 17.420 1.925 0.535 0.521 0.826 0.696 CB 1.458 24 residues pruned to eliminate duplicates Z: 7 7.297 1.942 0.515 0.505 1.000 0.667 CA 1.008 7 residues pruned to eliminate duplicates Z: 44 22.491 1.894 0.472 0.512 0.884 0.512 CB 1.377 44 residues pruned to eliminate duplicates Z: 24 11.839 1.875 0.432 0.351 0.826 0.478 CA 1.308 24 residues pruned to eliminate duplicates Z: 39 25.842 1.929 0.686 0.519 0.921 0.658 CA 1.374 39 residues pruned to eliminate duplicates Z: 30 16.210 1.848 0.527 0.363 0.897 0.552 CA 1.379 30 residues pruned to eliminate duplicates Z: 77 29.354 1.919 0.449 0.519 0.868 0.592 CB 1.368 77 residues pruned to eliminate duplicates Z: 43 23.380 1.855 0.614 0.488 0.857 0.571 CB 1.423 43 residues pruned to eliminate duplicates Z: 47 27.673 1.930 0.512 0.634 0.870 0.630 CA 1.418 47 residues pruned to eliminate duplicates Z: 53 26.953 1.923 0.539 0.511 0.904 0.519 CB 1.382 53 residues pruned to eliminate duplicates Z: 22 19.750 1.906 0.696 0.541 0.952 0.810 CB 1.345 22 residues pruned to eliminate duplicates Z: 23 21.008 1.945 0.503 0.658 0.909 0.727 CA 1.455 23 residues pruned to eliminate duplicates Z: 48 27.455 1.866 0.691 0.538 0.936 0.681 CB 1.306 46 residues pruned to eliminate duplicates Z: 15 22.131 1.868 0.764 0.854 0.929 0.714 CB 1.428 15 residues pruned to eliminate duplicates Z: 17 25.017 1.936 0.887 0.765 0.875 0.438 CB 1.547 17 residues pruned to eliminate duplicates Z: 15 22.180 1.892 0.862 0.720 0.929 0.500 CB 1.486 15 residues pruned to eliminate duplicates Z: 20 17.538 1.886 0.741 0.550 0.895 0.474 CB 1.304 31 residues pruned to eliminate duplicates Z: 18 22.247 1.683 1.127 0.761 0.941 0.471 CB 1.270 18 residues pruned to eliminate duplicates Z: 56 25.290 1.897 0.537 0.512 0.909 0.509 CB 1.271 56 residues pruned to eliminate duplicates Z: 7 6.311 1.660 0.412 0.641 0.833 0.667 N 1.157 6 residues pruned to eliminate duplicates Z: 10 7.142 1.480 0.460 0.637 1.000 0.444 CB 0.969 10 residues pruned to eliminate duplicates Z: 22 12.164 1.799 0.431 0.405 0.857 0.571 CB 1.330 22 residues pruned to eliminate duplicates Z: 20 13.036 1.821 0.504 0.355 0.947 0.526 CB 1.348 25 residues pruned to eliminate duplicates Z: 8 6.705 1.489 0.545 0.747 0.857 0.571 CB 1.032 8 residues pruned to eliminate duplicates Z: 18 8.887 1.691 0.578 0.427 0.941 0.471 CB 0.926 18 residues pruned to eliminate duplicates Z: 17 8.168 1.648 0.370 0.476 0.875 0.438 CB 1.059 17 residues pruned to eliminate duplicates Z: 24 11.756 1.706 0.445 0.441 0.826 0.435 CB 1.280 25 residues pruned to eliminate duplicates Z: 6 3.101 1.375 0.560 0.467 1.000 0.400 CA 0.669 6 residues pruned to eliminate duplicates Z: 13 8.936 1.732 0.537 0.501 0.833 0.500 CA 1.162 13 residues pruned to eliminate duplicates Z: 28 16.439 1.784 0.619 0.401 0.889 0.519 CB 1.368 22 residues pruned to eliminate duplicates Z: 7 6.212 1.278 0.816 0.531 1.000 0.667 N 1.060 7 residues pruned to eliminate duplicates Z: 12 7.643 1.700 0.491 0.424 0.818 0.545 CA 1.202 12 residues pruned to eliminate duplicates Z: 8 3.119 1.489 0.336 0.206 0.714 0.429 CB 1.176 Z: 6 3.491 1.493 0.047 0.818 1.000 0.600 CB 0.758 Z: 7 8.562 1.888 0.590 0.510 1.000 0.667 CB 1.153 9 residues pruned to eliminate duplicates Z: 9 6.671 1.718 0.358 0.465 0.875 0.625 CA 1.197 9 residues pruned to eliminate duplicates Z: 19 22.283 1.984 0.820 0.603 0.944 0.611 CB 1.396 26 residues pruned to eliminate duplicates Z: 16 20.124 1.976 0.905 0.640 1.000 0.400 CB 1.211 16 residues pruned to eliminate duplicates Z: 18 17.508 2.010 0.744 0.501 0.941 0.471 CB 1.285 18 residues pruned to eliminate duplicates Z: 26 16.375 1.925 0.845 0.408 0.800 0.520 CB 1.271 26 residues pruned to eliminate duplicates Z: 19 25.547 2.034 0.895 0.590 1.000 0.667 CB 1.434 25 residues pruned to eliminate duplicates Z: 13 19.247 1.957 1.000 0.800 0.833 0.417 CB 1.310 13 residues pruned to eliminate duplicates Z: 31 23.417 2.013 0.727 0.512 0.900 0.533 CB 1.351 30 residues pruned to eliminate duplicates Z: 17 20.197 1.712 0.814 0.885 0.938 0.438 CA 1.252 17 residues pruned to eliminate duplicates Z: 19 16.692 2.034 0.843 0.516 0.889 0.611 CB 1.163 19 residues pruned to eliminate duplicates Z: 30 19.537 2.012 0.494 0.405 0.931 0.345 CB 1.433 30 residues pruned to eliminate duplicates Z: 21 15.710 2.073 0.624 0.429 0.800 0.650 CB 1.404 21 residues pruned to eliminate duplicates Z: 18 15.545 1.964 0.675 0.572 0.882 0.588 CB 1.212 18 residues pruned to eliminate duplicates Z: 29 20.906 2.033 0.578 0.437 0.893 0.464 CB 1.473 29 residues pruned to eliminate duplicates Z: 56 27.645 1.970 0.557 0.458 0.909 0.636 CB 1.396 57 residues pruned to eliminate duplicates Z: 6 4.032 1.596 0.370 0.432 1.000 0.600 CA 0.885 Z: 30 26.189 2.042 0.636 0.537 0.931 0.655 CA 1.508 36 residues pruned to eliminate duplicates Z: 30 26.226 2.037 0.630 0.546 0.931 0.793 CB 1.506 30 residues pruned to eliminate duplicates Z: 12 12.100 1.998 0.423 0.451 0.909 0.545 CB 1.483 12 residues pruned to eliminate duplicates Z: 28 13.430 1.948 0.424 0.337 0.815 0.519 CB 1.367 28 residues pruned to eliminate duplicates Z: 25 15.162 1.968 0.414 0.363 0.917 0.542 CA 1.405 25 residues pruned to eliminate duplicates Z: 29 18.319 1.963 0.491 0.382 0.929 0.500 CB 1.443 29 residues pruned to eliminate duplicates Z: 11 9.991 1.823 0.449 0.554 0.900 0.600 CB 1.261 11 residues pruned to eliminate duplicates Z: 12 7.906 1.709 0.131 0.765 0.909 0.636 CB 1.072 10 residues pruned to eliminate duplicates Z: 11 13.991 1.805 0.464 0.897 1.000 0.600 CB 1.199 11 residues pruned to eliminate duplicates Z: 9 9.312 1.804 0.296 0.786 0.875 0.750 CB 1.252 9 residues pruned to eliminate duplicates Z: 9 14.684 1.862 0.485 0.914 1.000 1.000 CB 1.328 9 residues pruned to eliminate duplicates Z: 9 13.052 1.851 0.419 0.905 1.000 0.875 CB 1.251 9 residues pruned to eliminate duplicates Z: 10 9.289 1.755 0.534 0.849 0.889 0.889 CB 0.959 10 residues pruned to eliminate duplicates Z: 10 13.889 1.796 0.499 0.925 1.000 1.000 CB 1.207 10 residues pruned to eliminate duplicates Z: 11 11.024 1.649 0.449 0.803 0.900 0.800 CB 1.245 11 residues pruned to eliminate duplicates Z: 10 9.928 1.761 0.420 0.834 0.889 0.778 CB 1.116 10 residues pruned to eliminate duplicates Z: 10 13.306 1.795 0.424 0.863 1.000 0.889 CB 1.273 10 residues pruned to eliminate duplicates Z: 11 10.511 1.778 0.425 0.828 0.900 0.600 CB 1.097 11 residues pruned to eliminate duplicates Z: 10 10.349 1.837 0.453 0.666 0.889 0.778 CB 1.246 10 residues pruned to eliminate duplicates Z: 12 9.632 1.776 0.463 0.639 0.818 0.364 CB 1.199 11 residues pruned to eliminate duplicates Z: 10 14.553 1.882 0.706 0.915 1.000 0.889 CB 1.068 9 residues pruned to eliminate duplicates Z: 8 15.803 1.916 0.768 0.912 1.000 1.000 CB 1.249 8 residues pruned to eliminate duplicates Z: 10 12.577 1.806 0.646 0.710 0.889 0.444 CB 1.312 10 residues pruned to eliminate duplicates Z: 9 12.775 1.891 0.531 0.782 1.000 0.875 CB 1.217 9 residues pruned to eliminate duplicates Z: 11 10.492 1.803 0.323 0.738 1.000 0.700 CB 1.123 11 residues pruned to eliminate duplicates Z: 8 4.995 1.645 -0.006 0.360 1.000 0.429 N 1.343 Z: 7 5.898 1.420 0.264 0.587 1.000 0.667 CB 1.234 6 residues pruned to eliminate duplicates Z: 6 5.446 1.506 0.257 0.758 0.800 0.600 CB 1.278 6 residues pruned to eliminate duplicates Z: 7 7.750 1.395 0.384 0.869 1.000 1.000 CB 1.197 7 residues pruned to eliminate duplicates Z: 6 5.521 1.387 0.416 0.830 1.000 0.800 N 0.945 6 residues pruned to eliminate duplicates Z: 11 9.451 1.667 0.411 0.788 0.900 0.700 CB 1.097 Z: 12 13.725 1.721 0.599 0.835 1.000 0.636 CB 1.127 11 residues pruned to eliminate duplicates Z: 12 10.119 1.617 0.269 0.882 0.909 0.636 CB 1.183 12 residues pruned to eliminate duplicates Z: 13 8.060 1.639 0.367 0.691 0.917 0.500 CB 0.952 13 residues pruned to eliminate duplicates Z: 11 13.953 1.863 0.313 0.872 1.000 0.600 CB 1.315 11 residues pruned to eliminate duplicates Z: 13 8.662 1.680 0.525 0.687 0.833 0.500 CB 0.987 13 residues pruned to eliminate duplicates Z: 13 8.543 1.675 0.473 0.707 0.833 0.500 CB 0.994 13 residues pruned to eliminate duplicates Z: 7 3.552 1.559 0.132 0.360 0.833 0.167 CB 1.145 7 residues pruned to eliminate duplicates Z: 18 8.581 1.668 0.473 0.493 0.765 0.529 CA 1.115 29 residues pruned to eliminate duplicates Z: 15 10.679 1.694 0.433 0.664 0.786 0.643 CA 1.286 15 residues pruned to eliminate duplicates Z: 24 7.578 1.484 0.598 0.368 0.696 0.478 CB 1.104 24 residues pruned to eliminate duplicates Z: 16 13.613 1.726 0.541 0.710 0.933 0.600 CB 1.170 16 residues pruned to eliminate duplicates Z: 18 17.723 1.818 0.652 0.748 0.941 0.706 CB 1.218 21 residues pruned to eliminate duplicates Z: 13 14.815 1.801 0.467 0.916 1.000 0.917 CB 1.143 13 residues pruned to eliminate duplicates Z: 16 11.649 1.752 0.398 0.706 0.867 0.733 CA 1.176 13 residues pruned to eliminate duplicates Z: 13 15.455 1.862 0.290 0.899 1.000 0.833 CB 1.328 13 residues pruned to eliminate duplicates Z: 11 10.599 1.808 0.453 0.694 1.000 0.900 CB 1.069 11 residues pruned to eliminate duplicates Z: 7 6.233 1.573 0.403 0.649 0.833 0.667 CB 1.204 7 residues pruned to eliminate duplicates Z: 17 10.650 1.719 0.659 0.535 0.812 0.625 CB 1.110 17 residues pruned to eliminate duplicates Z: 12 13.069 1.862 0.332 0.716 1.000 0.727 CB 1.307 12 residues pruned to eliminate duplicates Z: 12 18.571 1.903 0.866 0.736 1.000 0.727 CB 1.276 12 residues pruned to eliminate duplicates Z: 13 13.924 1.708 0.681 0.714 1.000 0.750 CB 1.153 13 residues pruned to eliminate duplicates Z: 17 10.621 1.625 0.555 0.566 0.875 0.625 CB 1.127 17 residues pruned to eliminate duplicates Z: 13 11.840 1.742 0.829 0.654 0.917 0.583 CB 1.014 13 residues pruned to eliminate duplicates Z: 8 5.636 1.721 0.490 0.433 0.857 0.571 CB 1.039 7 residues pruned to eliminate duplicates Z: 6 5.997 1.606 0.893 0.393 1.000 0.800 CA 0.988 6 residues pruned to eliminate duplicates Z: 6 5.859 2.123 0.941 0.281 0.800 0.400 CB 1.018 6 residues pruned to eliminate duplicates Z: 29 20.892 2.020 0.898 0.478 0.857 0.571 CB 1.228 32 residues pruned to eliminate duplicates Z: 9 6.990 1.733 0.696 0.571 0.750 0.625 CB 1.048 9 residues pruned to eliminate duplicates Z: 30 21.422 2.045 0.600 0.524 0.862 0.655 CB 1.377 30 residues pruned to eliminate duplicates Z: 38 23.994 2.000 0.714 0.538 0.946 0.514 CB 1.172 40 residues pruned to eliminate duplicates Z: 7 4.580 1.643 0.398 0.579 0.833 0.667 CB 0.905 7 residues pruned to eliminate duplicates Z: 40 24.986 1.998 0.829 0.537 0.923 0.641 CB 1.144 40 residues pruned to eliminate duplicates Z: 40 24.341 1.991 0.832 0.531 0.897 0.564 CB 1.155 40 residues pruned to eliminate duplicates Z: 29 22.774 2.065 0.779 0.582 0.893 0.679 CB 1.213 29 residues pruned to eliminate duplicates Z: 29 25.455 2.036 0.870 0.577 0.929 0.643 CB 1.264 29 residues pruned to eliminate duplicates Z: 30 23.613 2.072 0.748 0.554 0.897 0.586 CB 1.282 30 residues pruned to eliminate duplicates Z: 21 24.198 2.019 0.873 0.689 0.950 0.650 CB 1.266 21 residues pruned to eliminate duplicates Z: 38 26.102 1.991 0.775 0.570 0.919 0.676 CB 1.236 38 residues pruned to eliminate duplicates Z: 53 27.249 1.954 0.728 0.537 0.962 0.596 CB 1.122 39 residues pruned to eliminate duplicates Z: 16 26.752 1.924 0.884 0.927 0.933 0.733 CB 1.431 16 residues pruned to eliminate duplicates Z: 29 25.845 2.019 0.736 0.607 0.929 0.714 CB 1.355 29 residues pruned to eliminate duplicates Z: 30 21.852 2.008 0.805 0.553 0.897 0.586 CB 1.186 30 residues pruned to eliminate duplicates Z: 41 24.870 1.943 0.776 0.528 0.925 0.500 CB 1.197 41 residues pruned to eliminate duplicates Z: 15 27.027 1.969 0.902 0.909 0.929 0.429 CB 1.473 15 residues pruned to eliminate duplicates Z: 29 24.923 2.011 0.745 0.628 0.929 0.607 CB 1.281 29 residues pruned to eliminate duplicates Z: 34 20.541 1.909 0.768 0.525 0.909 0.394 CB 1.136 34 residues pruned to eliminate duplicates Z: 47 23.517 1.932 0.753 0.502 0.891 0.478 CB 1.147 47 residues pruned to eliminate duplicates Z: 31 25.874 1.993 0.937 0.637 0.933 0.467 CB 1.153 31 residues pruned to eliminate duplicates Z: 11 11.080 1.701 0.211 0.802 1.000 0.700 CA 1.306 11 residues pruned to eliminate duplicates Z: 8 10.977 1.782 0.302 0.845 1.000 0.857 CB 1.329 8 residues pruned to eliminate duplicates Z: 10 10.690 1.759 0.141 0.866 1.000 0.889 CB 1.300 10 residues pruned to eliminate duplicates Z: 14 6.762 1.608 0.180 0.654 0.923 0.615 CB 0.928 13 residues pruned to eliminate duplicates Z: 14 12.420 1.663 0.592 0.817 0.923 0.769 CB 1.071 11 residues pruned to eliminate duplicates Z: 10 9.599 1.670 0.373 0.870 1.000 0.667 CB 1.018 10 residues pruned to eliminate duplicates Z: 11 10.492 1.715 0.336 0.760 0.900 0.700 CB 1.276 11 residues pruned to eliminate duplicates Z: 13 8.554 1.555 0.471 0.642 1.000 0.500 CB 0.945 13 residues pruned to eliminate duplicates Z: 10 12.301 1.723 0.551 0.741 1.000 0.556 CB 1.236 10 residues pruned to eliminate duplicates Z: 11 11.516 1.707 0.527 0.814 1.000 0.600 CB 1.063 11 residues pruned to eliminate duplicates Z: 6 3.074 1.510 0.167 0.393 0.800 0.400 O 1.093 Z: 17 31.032 2.008 0.704 0.914 1.000 0.812 CA 1.604 17 residues pruned to eliminate duplicates Z: 17 27.289 1.988 0.633 0.905 1.000 0.812 CA 1.495 17 residues pruned to eliminate duplicates Z: 18 17.716 1.888 0.479 0.738 0.941 0.706 CA 1.320 18 residues pruned to eliminate duplicates Z: 19 21.463 1.870 0.533 0.784 0.944 0.667 CA 1.455 19 residues pruned to eliminate duplicates Z: 17 24.902 2.015 0.534 0.870 0.938 0.938 CA 1.569 17 residues pruned to eliminate duplicates Z: 18 21.326 1.834 0.677 0.759 0.941 0.941 CA 1.418 18 residues pruned to eliminate duplicates Z: 20 23.213 1.859 0.691 0.718 0.947 0.737 CA 1.469 20 residues pruned to eliminate duplicates Z: 17 26.202 1.989 0.573 0.905 1.000 0.938 CA 1.490 17 residues pruned to eliminate duplicates Z: 29 20.947 1.775 0.575 0.663 0.893 0.643 CA 1.364 29 residues pruned to eliminate duplicates Z: 17 24.901 1.997 0.521 0.869 1.000 0.938 CA 1.498 17 residues pruned to eliminate duplicates Z: 19 24.623 1.829 0.778 0.837 0.889 0.833 N 1.501 19 residues pruned to eliminate duplicates Z: 18 25.380 1.854 0.856 0.824 0.882 0.765 CA 1.532 18 residues pruned to eliminate duplicates Z: 18 24.103 1.926 0.713 0.817 0.882 0.824 CA 1.524 18 residues pruned to eliminate duplicates Z: 17 25.340 1.970 0.728 0.808 0.938 0.750 CA 1.518 17 residues pruned to eliminate duplicates Z: 21 21.434 1.818 0.614 0.769 0.900 0.750 CA 1.430 21 residues pruned to eliminate duplicates Z: 10 10.543 1.627 0.658 0.793 1.000 0.778 CA 1.007 10 residues pruned to eliminate duplicates Z: 9 10.645 1.647 0.637 0.857 1.000 0.750 CB 1.029 9 residues pruned to eliminate duplicates Z: 9 10.747 1.638 0.513 0.853 1.000 0.875 CB 1.134 9 residues pruned to eliminate duplicates Z: 8 12.567 1.732 0.657 0.844 1.000 0.857 CB 1.232 8 residues pruned to eliminate duplicates Z: 47 19.213 1.764 0.483 0.482 0.848 0.522 CB 1.301 54 residues pruned to eliminate duplicates Z: 9 12.043 1.670 0.679 0.827 1.000 0.750 CB 1.145 9 residues pruned to eliminate duplicates Z: 9 11.934 1.682 0.634 0.834 1.000 0.625 CB 1.151 9 residues pruned to eliminate duplicates Z: 10 11.614 1.586 1.039 0.859 0.889 0.667 CB 0.991 10 residues pruned to eliminate duplicates Z: 9 10.874 1.673 0.948 0.705 0.875 0.500 CB 1.119 9 residues pruned to eliminate duplicates Z: 13 7.246 1.789 0.302 0.369 0.750 0.250 CB 1.378 13 residues pruned to eliminate duplicates Z: 7 8.814 1.839 0.640 0.542 0.833 0.667 CB 1.374 7 residues pruned to eliminate duplicates Z: 35 19.949 1.880 0.587 0.503 0.853 0.529 CB 1.340 35 residues pruned to eliminate duplicates Z: 47 19.301 1.899 0.492 0.423 0.848 0.609 CB 1.283 62 residues pruned to eliminate duplicates Z: 43 22.205 1.949 0.672 0.436 0.833 0.619 CB 1.348 43 residues pruned to eliminate duplicates Z: 17 11.050 1.913 0.442 0.418 0.812 0.500 CA 1.343 17 residues pruned to eliminate duplicates Z: 26 14.027 1.830 0.484 0.450 0.800 0.520 CB 1.359 26 residues pruned to eliminate duplicates Z: 28 17.371 1.936 0.482 0.516 0.815 0.519 CB 1.407 28 residues pruned to eliminate duplicates Z: 32 20.138 1.938 0.572 0.510 0.871 0.613 CB 1.350 32 residues pruned to eliminate duplicates Z: 31 18.565 1.943 0.544 0.523 0.833 0.633 CB 1.325 31 residues pruned to eliminate duplicates Z: 31 18.571 1.934 0.665 0.466 0.833 0.533 CB 1.308 31 residues pruned to eliminate duplicates Z: 29 15.074 1.837 0.576 0.435 0.821 0.571 CB 1.282 29 residues pruned to eliminate duplicates Z: 24 15.479 1.971 0.699 0.501 0.739 0.478 CB 1.303 24 residues pruned to eliminate duplicates Z: 31 17.366 1.885 0.541 0.461 0.867 0.467 CB 1.310 31 residues pruned to eliminate duplicates Z: 31 23.699 1.950 0.685 0.550 0.900 0.633 CB 1.393 31 residues pruned to eliminate duplicates Z: 25 20.675 1.960 0.799 0.487 0.875 0.625 CB 1.386 25 residues pruned to eliminate duplicates Z: 24 17.284 1.912 0.631 0.502 0.870 0.478 CB 1.326 24 residues pruned to eliminate duplicates Z: 22 18.072 1.788 0.792 0.480 0.905 0.571 CB 1.387 22 residues pruned to eliminate duplicates Z: 26 16.105 1.849 0.792 0.483 0.840 0.600 CB 1.177 26 residues pruned to eliminate duplicates Z: 47 27.658 1.919 0.684 0.522 0.891 0.587 CB 1.386 47 residues pruned to eliminate duplicates Z: 30 19.331 1.875 0.603 0.456 0.897 0.552 CB 1.393 30 residues pruned to eliminate duplicates Z: 23 22.813 1.946 0.771 0.532 0.955 0.636 CB 1.432 23 residues pruned to eliminate duplicates Z: 33 22.682 1.929 0.700 0.492 0.906 0.625 CB 1.361 33 residues pruned to eliminate duplicates Z: 33 23.534 1.908 0.604 0.531 0.906 0.656 CB 1.455 33 residues pruned to eliminate duplicates Z: 24 23.682 1.955 0.798 0.524 0.957 0.739 CB 1.435 24 residues pruned to eliminate duplicates Z: 10 14.973 1.820 0.812 0.687 1.000 0.889 CA 1.276 10 residues pruned to eliminate duplicates Z: 24 14.454 1.860 0.505 0.597 0.826 0.565 CB 1.188 24 residues pruned to eliminate duplicates Z: 25 21.430 1.931 0.706 0.518 0.917 0.625 CB 1.422 25 residues pruned to eliminate duplicates Z: 45 22.589 1.843 0.568 0.454 0.932 0.523 CB 1.327 45 residues pruned to eliminate duplicates Z: 24 12.853 1.828 0.611 0.467 0.783 0.609 CB 1.203 24 residues pruned to eliminate duplicates Z: 37 15.070 1.946 0.480 0.340 0.778 0.583 CB 1.335 37 residues pruned to eliminate duplicates Z: 43 23.899 1.959 0.643 0.462 0.857 0.667 CB 1.390 43 residues pruned to eliminate duplicates Z: 16 5.821 1.693 0.451 0.200 0.867 0.467 CB 1.008 Z: 7 5.252 1.731 0.319 0.523 0.833 0.667 CB 1.101 10 residues pruned to eliminate duplicates Z: 10 10.166 1.652 0.491 0.897 1.000 0.778 CA 0.985 6 residues pruned to eliminate duplicates Z: 7 4.986 1.585 0.571 0.767 1.000 0.833 CA 0.646 7 residues pruned to eliminate duplicates Z: 8 6.700 1.731 0.586 0.632 0.714 0.714 CB 1.141 8 residues pruned to eliminate duplicates Z: 51 24.195 1.875 0.618 0.481 0.880 0.580 CB 1.306 68 residues pruned to eliminate duplicates Z: 49 21.144 1.838 0.559 0.480 0.938 0.646 CB 1.160 49 residues pruned to eliminate duplicates Z: 45 24.616 1.830 0.576 0.486 0.955 0.682 CB 1.368 45 residues pruned to eliminate duplicates Z: 17 12.022 1.751 0.487 0.641 0.938 0.688 CA 1.079 Z: 15 18.573 1.847 0.615 0.885 0.929 0.786 CA 1.294 17 residues pruned to eliminate duplicates Z: 15 20.317 1.814 1.030 0.861 0.857 0.643 CB 1.265 15 residues pruned to eliminate duplicates Z: 16 23.395 1.786 1.038 0.864 0.933 0.800 CB 1.303 15 residues pruned to eliminate duplicates Z: 15 17.244 1.764 0.903 0.733 0.929 0.714 CB 1.198 15 residues pruned to eliminate duplicates Z: 13 8.012 1.665 0.394 0.412 0.917 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 13 10.334 1.718 0.563 0.429 1.000 0.583 CA 1.196 21 residues pruned to eliminate duplicates Z: 6 2.181 1.488 0.195 0.290 0.800 0.400 N 0.868 6 residues pruned to eliminate duplicates Z: 11 8.578 1.733 0.673 0.552 0.700 0.600 CB 1.270 11 residues pruned to eliminate duplicates Z: 9 9.908 1.872 0.529 0.652 0.875 0.625 CB 1.215 10 residues pruned to eliminate duplicates Z: 7 5.961 1.495 0.637 0.501 1.000 0.667 CA 0.993 Z: 20 13.716 2.021 0.174 0.596 0.789 0.579 CB 1.532 20 residues pruned to eliminate duplicates Z: 22 23.324 2.067 0.427 0.672 0.905 0.667 CB 1.627 22 residues pruned to eliminate duplicates Z: 21 26.996 2.106 0.592 0.679 0.950 0.800 CB 1.607 21 residues pruned to eliminate duplicates Z: 22 31.317 2.136 0.582 0.717 1.000 0.810 CB 1.661 22 residues pruned to eliminate duplicates Z: 21 26.033 2.122 0.575 0.734 0.900 0.800 CB 1.568 21 residues pruned to eliminate duplicates Z: 23 26.253 2.090 0.555 0.690 0.909 0.773 CB 1.591 23 residues pruned to eliminate duplicates Z: 23 30.626 2.087 0.670 0.689 0.955 0.818 CB 1.652 23 residues pruned to eliminate duplicates Z: 19 29.759 2.052 0.849 0.716 0.944 0.611 CA 1.610 19 residues pruned to eliminate duplicates Z: 26 26.970 2.068 0.661 0.598 0.920 0.680 CB 1.554 25 residues pruned to eliminate duplicates Z: 18 33.973 2.066 0.837 0.850 0.941 0.706 CB 1.709 19 residues pruned to eliminate duplicates Z: 18 27.908 2.001 0.807 0.813 0.882 0.765 CA 1.615 18 residues pruned to eliminate duplicates Z: 21 29.327 2.105 0.839 0.656 0.950 0.650 CB 1.542 21 residues pruned to eliminate duplicates Z: 22 30.556 2.098 0.680 0.652 1.000 0.762 CB 1.642 22 residues pruned to eliminate duplicates Z: 22 29.689 2.063 0.836 0.715 1.000 0.762 CB 1.408 22 residues pruned to eliminate duplicates Z: 19 33.698 2.147 0.957 0.688 1.000 0.722 CB 1.592 19 residues pruned to eliminate duplicates Z: 22 33.217 2.121 0.873 0.702 1.000 0.714 CB 1.517 22 residues pruned to eliminate duplicates Z: 22 29.502 2.112 0.808 0.686 0.952 0.667 CB 1.493 22 residues pruned to eliminate duplicates Z: 21 31.515 2.133 0.819 0.714 0.950 0.500 CB 1.574 21 residues pruned to eliminate duplicates Z: 20 14.783 1.863 0.237 0.786 1.000 0.789 CB 1.145 20 residues pruned to eliminate duplicates Z: 6 6.540 1.864 0.152 0.606 1.000 0.600 CA 1.231 6 residues pruned to eliminate duplicates Z: 8 4.123 1.725 0.468 0.325 1.000 0.143 CB 0.746 8 residues pruned to eliminate duplicates Z: 21 16.407 1.840 0.289 0.766 0.950 0.700 CB 1.286 21 residues pruned to eliminate duplicates Z: 27 19.080 1.728 0.449 0.696 1.000 0.692 CA 1.250 24 residues pruned to eliminate duplicates Z: 19 15.917 1.851 0.288 0.754 0.944 0.722 CB 1.328 19 residues pruned to eliminate duplicates Z: 20 17.593 1.872 0.550 0.617 1.000 0.526 CB 1.245 20 residues pruned to eliminate duplicates Z: 18 20.248 1.951 0.451 0.815 1.000 0.824 CB 1.320 18 residues pruned to eliminate duplicates Z: 26 17.621 1.841 0.381 0.649 0.960 0.640 CB 1.257 26 residues pruned to eliminate duplicates Z: 23 16.994 1.851 0.439 0.695 0.909 0.727 CA 1.252 23 residues pruned to eliminate duplicates Z: 11 16.956 1.987 0.669 0.812 1.000 0.900 CA 1.232 11 residues pruned to eliminate duplicates Z: 24 18.578 1.865 0.586 0.649 0.913 0.609 CB 1.248 24 residues pruned to eliminate duplicates Z: 27 15.001 1.755 0.557 0.499 0.885 0.462 CB 1.219 27 residues pruned to eliminate duplicates Z: 25 20.868 1.869 0.654 0.668 0.917 0.500 CB 1.287 25 residues pruned to eliminate duplicates Z: 20 26.799 1.934 0.879 0.820 0.947 0.579 CB 1.353 20 residues pruned to eliminate duplicates Z: 25 19.697 1.798 0.836 0.649 0.958 0.583 CB 1.107 25 residues pruned to eliminate duplicates Z: 22 22.164 1.881 0.912 0.754 0.952 0.476 CB 1.126 22 residues pruned to eliminate duplicates Z: 23 23.464 1.875 0.927 0.723 0.955 0.591 CB 1.186 21 residues pruned to eliminate duplicates Z: 16 33.151 1.973 1.176 0.923 1.000 0.467 CB 1.401 27 residues pruned to eliminate duplicates Z: 15 28.532 1.993 0.998 0.943 1.000 0.929 CB 1.327 15 residues pruned to eliminate duplicates Z: 8 6.459 1.651 0.397 0.546 0.857 0.714 CB 1.182 9 residues pruned to eliminate duplicates Z: 6 2.666 1.271 0.287 0.364 1.000 0.600 CA 0.843 Z: 6 5.244 1.354 0.828 0.471 1.000 0.600 N 0.975 12 residues pruned to eliminate duplicates Z: 18 23.991 1.842 0.692 0.911 0.941 0.824 CB 1.406 18 residues pruned to eliminate duplicates Z: 18 24.191 1.861 0.589 0.912 1.000 0.941 CB 1.405 18 residues pruned to eliminate duplicates Z: 17 27.407 1.951 0.708 0.867 0.938 0.938 CA 1.604 17 residues pruned to eliminate duplicates Z: 17 22.337 1.874 0.449 0.893 1.000 0.875 CB 1.476 17 residues pruned to eliminate duplicates Z: 16 25.219 1.990 0.607 0.868 0.933 0.867 CB 1.595 16 residues pruned to eliminate duplicates Z: 17 27.226 1.963 0.705 0.864 0.938 0.875 CB 1.591 17 residues pruned to eliminate duplicates Z: 16 28.485 1.950 0.833 0.936 0.933 0.933 N 1.535 16 residues pruned to eliminate duplicates Z: 17 26.644 1.985 0.690 0.882 0.938 0.812 CB 1.532 17 residues pruned to eliminate duplicates Z: 19 24.187 1.764 0.800 0.923 1.000 0.833 CB 1.262 19 residues pruned to eliminate duplicates Z: 22 20.331 1.761 0.720 0.732 0.857 0.571 N 1.386 22 residues pruned to eliminate duplicates Z: 17 27.188 1.958 0.784 0.872 0.938 0.875 CB 1.512 17 residues pruned to eliminate duplicates Z: 16 25.345 1.987 0.735 0.858 0.933 0.800 CB 1.497 16 residues pruned to eliminate duplicates Z: 17 29.312 1.972 0.985 0.853 0.938 0.688 CB 1.476 17 residues pruned to eliminate duplicates Z: 18 28.847 1.845 0.928 0.926 1.000 0.765 CB 1.380 18 residues pruned to eliminate duplicates Z: 16 29.326 1.975 1.019 0.851 0.933 0.600 CB 1.506 16 residues pruned to eliminate duplicates Z: 17 26.596 1.959 0.996 0.844 0.875 0.562 CB 1.445 17 residues pruned to eliminate duplicates Z: 14 13.446 1.892 0.436 0.790 0.923 0.846 CA 1.153 14 residues pruned to eliminate duplicates Z: 15 18.670 1.922 0.464 0.814 1.000 0.786 CA 1.350 14 residues pruned to eliminate duplicates Z: 15 19.584 1.766 0.474 0.909 1.000 0.786 CB 1.426 15 residues pruned to eliminate duplicates Z: 28 16.515 1.796 0.467 0.664 0.889 0.593 CB 1.166 22 residues pruned to eliminate duplicates Z: 14 17.693 1.835 0.647 0.910 1.000 1.000 CA 1.152 14 residues pruned to eliminate duplicates Z: 36 14.999 1.700 0.518 0.533 0.857 0.543 CB 1.110 34 residues pruned to eliminate duplicates Z: 15 18.741 1.854 0.417 0.906 1.000 0.786 CB 1.356 15 residues pruned to eliminate duplicates Z: 21 14.236 1.797 0.299 0.654 0.900 0.450 CB 1.313 21 residues pruned to eliminate duplicates Z: 20 17.086 1.784 0.494 0.750 0.895 0.632 CB 1.315 20 residues pruned to eliminate duplicates Z: 25 16.322 1.882 0.445 0.691 0.833 0.583 CB 1.235 25 residues pruned to eliminate duplicates Z: 20 14.951 1.793 0.505 0.675 0.895 0.789 CB 1.208 20 residues pruned to eliminate duplicates Z: 21 19.954 1.930 0.501 0.733 0.950 0.750 CB 1.315 21 residues pruned to eliminate duplicates Z: 21 18.435 1.911 0.710 0.682 0.900 0.700 CB 1.186 21 residues pruned to eliminate duplicates Z: 26 9.797 1.790 0.315 0.342 0.880 0.520 CB 1.124 26 residues pruned to eliminate duplicates Z: 8 4.466 1.798 0.494 0.396 0.714 0.429 CB 0.981 8 residues pruned to eliminate duplicates Z: 10 4.863 1.613 0.456 0.388 0.778 0.333 CB 0.999 10 residues pruned to eliminate duplicates Z: 9 7.797 1.738 0.233 0.522 0.875 0.250 CB 1.438 9 residues pruned to eliminate duplicates Z: 10 6.079 1.715 0.386 0.405 0.778 0.333 CB 1.211 10 residues pruned to eliminate duplicates Z: 11 6.259 1.686 0.437 0.451 0.700 0.500 CB 1.228 11 residues pruned to eliminate duplicates Z: 10 8.686 1.632 0.838 0.650 0.889 0.556 CB 0.944 10 residues pruned to eliminate duplicates Z: 9 10.952 1.647 0.554 0.738 1.000 0.750 CB 1.222 9 residues pruned to eliminate duplicates Z: 10 6.506 1.620 0.391 0.633 0.889 0.667 CB 0.956 9 residues pruned to eliminate duplicates Z: 6 3.854 1.767 0.047 0.795 0.800 0.600 CB 0.899 6 residues pruned to eliminate duplicates Z: 9 8.851 1.626 0.556 0.670 1.000 0.625 CB 1.057 9 residues pruned to eliminate duplicates Z: 9 11.238 1.624 0.622 0.724 1.000 0.750 CA 1.232 9 residues pruned to eliminate duplicates Z: 15 9.451 1.519 0.530 0.502 0.929 0.643 N 1.168 12 residues pruned to eliminate duplicates Z: 9 7.732 1.569 0.436 0.444 1.000 0.250 CA 1.286 31 residues pruned to eliminate duplicates Z: 13 10.282 1.739 0.457 0.427 0.917 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 10 11.885 1.819 0.714 0.639 0.889 0.667 CA 1.256 10 residues pruned to eliminate duplicates Z: 16 9.118 1.794 0.332 0.289 0.933 0.533 CB 1.339 16 residues pruned to eliminate duplicates Z: 15 8.455 1.787 0.337 0.325 0.929 0.429 CA 1.234 15 residues pruned to eliminate duplicates Z: 9 5.847 1.744 0.394 0.266 0.875 0.375 CB 1.269 Z: 20 12.150 1.678 0.433 0.672 0.947 0.632 CB 1.045 7 residues pruned to eliminate duplicates Z: 19 13.094 1.715 0.436 0.727 0.889 0.722 CB 1.149 21 residues pruned to eliminate duplicates Z: 20 9.998 1.571 0.390 0.768 0.842 0.632 CB 0.984 20 residues pruned to eliminate duplicates Z: 23 11.879 1.752 0.178 0.592 0.909 0.636 CB 1.236 23 residues pruned to eliminate duplicates Z: 21 16.850 1.791 0.476 0.664 0.900 0.600 CB 1.360 19 residues pruned to eliminate duplicates Z: 17 11.595 1.673 0.345 0.784 0.875 0.688 CB 1.147 17 residues pruned to eliminate duplicates Z: 20 19.898 1.856 0.564 0.714 1.000 0.895 CB 1.295 20 residues pruned to eliminate duplicates Z: 17 13.315 1.705 0.332 0.858 0.938 0.688 CB 1.151 18 residues pruned to eliminate duplicates Z: 16 17.785 1.687 0.510 0.852 1.000 0.933 CB 1.334 16 residues pruned to eliminate duplicates Z: 44 26.459 1.859 0.500 0.649 0.907 0.512 CA 1.389 70 residues pruned to eliminate duplicates Z: 17 16.113 1.751 0.531 0.798 1.000 0.625 CB 1.158 Z: 19 15.250 1.696 0.434 0.779 1.000 0.611 CB 1.156 18 residues pruned to eliminate duplicates Z: 16 16.688 1.762 0.340 0.839 1.000 0.867 CA 1.363 17 residues pruned to eliminate duplicates Z: 20 15.662 1.708 0.531 0.749 0.947 0.684 CB 1.161 18 residues pruned to eliminate duplicates Z: 15 15.221 1.778 0.256 0.836 1.000 0.929 CA 1.363 15 residues pruned to eliminate duplicates Z: 23 14.185 1.742 0.367 0.603 0.909 0.591 CA 1.267 19 residues pruned to eliminate duplicates Z: 20 14.024 1.665 0.434 0.728 0.895 0.579 CB 1.226 20 residues pruned to eliminate duplicates Z: 22 12.215 1.928 0.655 0.366 0.810 0.571 CB 1.192 22 residues pruned to eliminate duplicates Z: 6 2.793 1.423 0.395 0.393 0.800 0.800 N 0.880 6 residues pruned to eliminate duplicates Z: 23 14.058 1.678 0.293 0.722 0.955 0.864 CB 1.184 23 residues pruned to eliminate duplicates Z: 25 14.782 1.877 0.762 0.280 0.917 0.542 CB 1.277 25 residues pruned to eliminate duplicates Z: 18 9.891 1.768 0.418 0.373 0.941 0.647 CB 1.165 18 residues pruned to eliminate duplicates Z: 22 11.580 1.882 0.623 0.343 0.810 0.571 CB 1.212 22 residues pruned to eliminate duplicates Z: 22 12.937 1.942 0.658 0.333 0.810 0.524 CB 1.300 22 residues pruned to eliminate duplicates Z: 23 14.379 1.929 0.742 0.316 0.909 0.500 CB 1.230 23 residues pruned to eliminate duplicates Z: 26 13.780 1.810 0.683 0.305 0.840 0.560 CB 1.338 24 residues pruned to eliminate duplicates Z: 6 9.879 1.892 0.881 0.577 1.000 0.400 CB 1.153 6 residues pruned to eliminate duplicates Z: 21 11.957 1.894 0.730 0.295 0.850 0.600 CB 1.207 21 residues pruned to eliminate duplicates Z: 22 12.821 1.907 0.625 0.303 0.857 0.571 CB 1.312 22 residues pruned to eliminate duplicates Z: 21 12.913 1.934 0.575 0.333 0.900 0.600 CB 1.265 21 residues pruned to eliminate duplicates Z: 22 13.957 1.904 0.779 0.305 0.952 0.571 CB 1.172 22 residues pruned to eliminate duplicates Z: 22 10.572 1.901 0.722 0.345 0.857 0.524 CB 0.973 22 residues pruned to eliminate duplicates Z: 13 10.769 1.928 0.729 0.278 0.917 0.417 CB 1.307 13 residues pruned to eliminate duplicates Z: 24 13.232 1.852 0.713 0.386 0.826 0.522 CB 1.189 24 residues pruned to eliminate duplicates Z: 24 12.218 1.916 0.606 0.355 0.826 0.435 CB 1.173 24 residues pruned to eliminate duplicates Z: 23 12.856 1.898 0.608 0.372 0.909 0.545 CB 1.133 23 residues pruned to eliminate duplicates Z: 23 13.617 1.922 0.590 0.343 0.909 0.727 CB 1.240 23 residues pruned to eliminate duplicates Z: 15 4.558 1.652 0.225 0.377 0.643 0.357 CB 1.068 15 residues pruned to eliminate duplicates Z: 6 5.276 1.705 0.475 0.502 0.800 0.600 CA 1.170 6 residues pruned to eliminate duplicates Z: 8 4.222 1.589 0.183 0.378 0.857 0.429 CB 1.129 8 residues pruned to eliminate duplicates Z: 6 6.987 1.693 0.580 0.598 1.000 0.600 CA 1.064 6 residues pruned to eliminate duplicates Z: 10 7.217 1.867 0.439 0.456 0.778 0.556 CB 1.205 10 residues pruned to eliminate duplicates Z: 9 8.223 1.832 0.512 0.528 0.875 0.500 CB 1.167 9 residues pruned to eliminate duplicates Z: 9 9.248 1.822 0.479 0.529 0.875 0.500 CB 1.347 9 residues pruned to eliminate duplicates Z: 10 4.864 1.792 0.049 0.485 0.778 0.444 CB 1.125 10 residues pruned to eliminate duplicates Z: 9 10.228 1.837 0.581 0.533 0.875 0.375 CB 1.377 9 residues pruned to eliminate duplicates Z: 17 5.796 1.769 0.260 0.388 0.812 0.438 CB 0.901 17 residues pruned to eliminate duplicates Z: 19 6.576 1.646 0.206 0.288 0.833 0.444 CB 1.188 18 residues pruned to eliminate duplicates 7 1.310 1.071 0.808 0.356 0.667 0.500 CB 0.483 ? Z: 8 10.042 1.734 0.325 0.850 1.000 0.857 CB 1.224 8 residues pruned to eliminate duplicates Z: 8 6.098 1.574 0.507 0.669 0.857 0.714 CB 0.970 8 residues pruned to eliminate duplicates Z: 6 3.028 1.515 0.571 0.528 0.800 0.200 CB 0.692 7 residues pruned to eliminate duplicates Z: 6 3.916 1.625 0.150 0.826 0.800 0.600 CB 0.884 6 residues pruned to eliminate duplicates Z: 8 4.473 1.572 0.408 0.706 0.714 0.429 CB 0.887 8 residues pruned to eliminate duplicates Z: 10 8.095 1.522 0.670 0.783 0.889 0.444 CB 0.931 10 residues pruned to eliminate duplicates 6 1.743 1.490 0.306 0.416 0.600 0.600 CA 0.729 ? Z: 6 5.605 1.835 0.260 0.498 1.000 0.400 CA 1.087 6 residues pruned to eliminate duplicates Z: 26 9.982 1.627 0.634 0.283 0.840 0.320 CB 1.142 26 residues pruned to eliminate duplicates Z: 25 19.306 1.910 0.483 0.701 1.000 0.833 CA 1.158 25 residues pruned to eliminate duplicates Z: 26 18.536 1.867 0.665 0.604 0.960 0.720 CA 1.125 26 residues pruned to eliminate duplicates Z: 27 19.786 1.849 0.626 0.637 0.962 0.731 CA 1.180 27 residues pruned to eliminate duplicates Z: 25 18.053 1.912 0.567 0.676 0.917 0.792 CA 1.141 25 residues pruned to eliminate duplicates Z: 25 18.223 1.909 0.572 0.664 0.917 0.750 CA 1.162 25 residues pruned to eliminate duplicates Z: 22 17.523 1.890 0.501 0.696 0.905 0.762 CA 1.245 22 residues pruned to eliminate duplicates Z: 29 14.083 1.795 0.495 0.432 0.857 0.607 CB 1.241 29 residues pruned to eliminate duplicates Z: 18 25.450 1.936 0.946 0.821 1.000 0.765 CA 1.240 18 residues pruned to eliminate duplicates Z: 32 22.784 1.861 0.666 0.595 0.935 0.613 CA 1.288 32 residues pruned to eliminate duplicates Z: 24 23.492 1.928 0.781 0.719 0.913 0.609 CA 1.282 24 residues pruned to eliminate duplicates Z: 24 24.069 1.922 0.887 0.692 1.000 0.652 CA 1.160 24 residues pruned to eliminate duplicates Z: 26 19.680 1.835 0.714 0.663 0.880 0.440 CA 1.223 26 residues pruned to eliminate duplicates Z: 25 21.625 1.887 0.820 0.720 0.875 0.500 CA 1.204 25 residues pruned to eliminate duplicates Z: 19 20.844 1.902 0.876 0.769 0.889 0.444 CB 1.221 19 residues pruned to eliminate duplicates Z: 22 19.448 1.884 0.900 0.617 0.905 0.667 CA 1.173 22 residues pruned to eliminate duplicates Z: 25 23.055 1.854 0.933 0.714 0.958 0.625 CA 1.129 25 residues pruned to eliminate duplicates Z: 24 19.998 1.832 0.800 0.691 0.913 0.435 CA 1.163 24 residues pruned to eliminate duplicates Z: 27 22.919 1.875 0.740 0.650 0.923 0.692 CA 1.297 27 residues pruned to eliminate duplicates Z: 20 15.828 1.837 0.826 0.531 0.789 0.421 CB 1.330 20 residues pruned to eliminate duplicates Z: 6 5.115 1.754 0.210 0.502 0.800 0.200 CA 1.345 6 residues pruned to eliminate duplicates Z: 10 5.775 1.658 0.436 0.370 0.889 0.667 CB 1.045 7 residues pruned to eliminate duplicates Z: 7 3.061 1.174 0.267 0.465 1.000 0.333 CB 0.870 Z: 8 8.969 1.760 0.822 0.770 1.000 0.571 CB 0.832 8 residues pruned to eliminate duplicates Z: 9 10.005 1.782 0.671 0.768 1.000 0.500 CB 0.937 10 residues pruned to eliminate duplicates Z: 8 9.601 1.783 0.708 0.846 1.000 0.571 CB 0.885 8 residues pruned to eliminate duplicates Z: 10 8.334 1.718 0.660 0.793 1.000 0.778 CB 0.753 10 residues pruned to eliminate duplicates Z: 7 4.617 1.666 0.993 0.819 1.000 0.667 CB 0.430 6 residues pruned to eliminate duplicates Z: 6 5.200 1.803 0.914 0.866 1.000 0.600 CB 0.493 7 residues pruned to eliminate duplicates Z: 8 8.867 1.757 0.617 0.889 1.000 0.714 CB 0.849 8 residues pruned to eliminate duplicates Z: 7 4.211 1.571 0.209 0.671 0.833 0.500 CB 0.928 7 residues pruned to eliminate duplicates Z: 6 2.647 1.475 0.474 0.364 0.600 0.400 N 1.050 6 residues pruned to eliminate duplicates Z: 12 7.564 1.783 0.253 0.497 0.727 0.364 CB 1.409 12 residues pruned to eliminate duplicates Z: 11 6.749 1.829 0.110 0.483 0.800 0.500 CB 1.337 11 residues pruned to eliminate duplicates Z: 28 12.839 1.775 0.478 0.424 0.815 0.407 CB 1.251 28 residues pruned to eliminate duplicates Z: 17 7.423 1.648 0.277 0.412 0.875 0.500 CA 1.105 17 residues pruned to eliminate duplicates Z: 26 13.104 1.812 0.363 0.440 0.880 0.400 CB 1.283 26 residues pruned to eliminate duplicates Z: 33 17.171 1.783 0.561 0.489 0.844 0.406 CA 1.306 35 residues pruned to eliminate duplicates Z: 8 5.648 1.748 0.565 0.439 0.714 0.286 CB 1.163 8 residues pruned to eliminate duplicates Z: 34 15.152 1.764 0.506 0.458 0.818 0.576 CB 1.267 34 residues pruned to eliminate duplicates Z: 23 14.761 1.780 0.649 0.499 0.909 0.818 CA 1.180 22 residues pruned to eliminate duplicates Z: 8 10.540 1.763 0.774 0.599 1.000 0.286 N 1.159 8 residues pruned to eliminate duplicates Z: 29 9.822 1.747 0.313 0.368 0.750 0.357 CB 1.243 29 residues pruned to eliminate duplicates Z: 17 9.461 1.739 0.444 0.301 0.938 0.500 CB 1.256 17 residues pruned to eliminate duplicates Z: 24 13.151 1.779 0.582 0.414 0.870 0.348 CB 1.226 24 residues pruned to eliminate duplicates Z: 17 9.212 1.461 0.662 0.457 0.875 0.562 CA 1.132 17 residues pruned to eliminate duplicates Z: 34 14.841 1.749 0.541 0.477 0.848 0.576 CB 1.156 34 residues pruned to eliminate duplicates Z: 12 8.820 1.692 0.645 0.579 0.818 0.545 CB 1.082 14 residues pruned to eliminate duplicates Z: 9 8.520 1.689 0.619 0.490 1.000 0.625 CA 1.113 3 residues pruned to eliminate duplicates Z: 9 12.532 1.703 0.639 0.828 1.000 0.750 CA 1.195 9 residues pruned to eliminate duplicates Z: 16 19.167 2.040 0.735 0.564 1.000 0.800 CB 1.314 16 residues pruned to eliminate duplicates Z: 21 18.155 1.911 0.714 0.510 0.950 0.650 CA 1.292 29 residues pruned to eliminate duplicates Z: 19 18.550 1.915 0.743 0.552 0.889 0.611 CA 1.400 19 residues pruned to eliminate duplicates Z: 8 6.876 1.638 0.741 0.818 1.000 0.571 CB 0.692 8 residues pruned to eliminate duplicates Z: 7 4.251 1.579 0.425 0.796 1.000 0.500 CB 0.595 7 residues pruned to eliminate duplicates Z: 8 5.098 1.609 0.633 0.694 0.857 0.714 CB 0.717 8 residues pruned to eliminate duplicates Z: 8 5.187 1.576 0.608 0.893 1.000 0.857 CB 0.555 8 residues pruned to eliminate duplicates Z: 8 6.050 1.567 0.648 0.880 1.000 1.000 CB 0.642 8 residues pruned to eliminate duplicates Z: 7 5.789 1.541 0.686 0.322 0.833 0.500 CB 1.328 7 residues pruned to eliminate duplicates Z: 56 26.879 1.908 0.620 0.482 0.873 0.473 CB 1.368 56 residues pruned to eliminate duplicates Z: 30 20.895 1.949 0.688 0.551 0.793 0.552 CB 1.416 30 residues pruned to eliminate duplicates Z: 42 28.921 1.956 0.677 0.576 0.951 0.683 CB 1.345 42 residues pruned to eliminate duplicates Z: 11 11.200 1.981 0.402 0.579 0.900 0.600 CB 1.313 11 residues pruned to eliminate duplicates Z: 71 36.749 1.950 0.669 0.567 0.900 0.629 CB 1.405 71 residues pruned to eliminate duplicates Z: 15 13.867 1.828 0.604 0.593 0.857 0.643 CB 1.349 15 residues pruned to eliminate duplicates Z: 32 20.738 1.977 0.439 0.579 0.871 0.581 CA 1.394 32 residues pruned to eliminate duplicates Z: 16 14.506 1.959 0.438 0.475 0.933 0.467 CB 1.462 16 residues pruned to eliminate duplicates Z: 45 23.224 1.881 0.487 0.526 0.909 0.591 CB 1.343 45 residues pruned to eliminate duplicates Z: 32 23.032 1.965 0.490 0.624 0.903 0.645 CA 1.391 32 residues pruned to eliminate duplicates Z: 32 24.349 2.001 0.600 0.622 0.871 0.581 CB 1.398 32 residues pruned to eliminate duplicates Z: 33 20.273 1.962 0.360 0.570 0.906 0.594 CB 1.385 33 residues pruned to eliminate duplicates Z: 32 23.434 1.994 0.491 0.621 0.935 0.677 CA 1.349 32 residues pruned to eliminate duplicates Z: 23 22.437 1.975 0.655 0.651 0.909 0.636 CA 1.398 23 residues pruned to eliminate duplicates Z: 46 32.895 1.997 0.666 0.665 0.889 0.667 CA 1.424 46 residues pruned to eliminate duplicates Z: 41 29.307 1.980 0.633 0.591 0.950 0.650 CA 1.383 41 residues pruned to eliminate duplicates Z: 30 25.464 2.030 0.571 0.655 0.966 0.759 CA 1.329 30 residues pruned to eliminate duplicates Z: 58 29.273 1.923 0.628 0.546 0.895 0.596 CA 1.324 58 residues pruned to eliminate duplicates Z: 40 25.494 1.931 0.623 0.610 0.923 0.590 CA 1.272 40 residues pruned to eliminate duplicates Z: 29 19.999 1.939 0.568 0.590 0.929 0.500 CA 1.228 29 residues pruned to eliminate duplicates Z: 30 21.104 2.002 0.406 0.655 0.931 0.690 CA 1.295 30 residues pruned to eliminate duplicates Z: 35 20.304 1.867 0.549 0.501 0.912 0.500 CA 1.319 35 residues pruned to eliminate duplicates Z: 49 31.008 1.984 0.643 0.611 0.875 0.625 CB 1.412 49 residues pruned to eliminate duplicates Z: 32 26.541 1.954 0.602 0.642 0.968 0.710 CA 1.378 32 residues pruned to eliminate duplicates Z: 32 29.600 1.965 0.754 0.628 0.935 0.548 CB 1.462 32 residues pruned to eliminate duplicates Z: 33 24.439 1.986 0.637 0.602 0.875 0.594 CA 1.378 33 residues pruned to eliminate duplicates Z: 31 25.880 2.005 0.749 0.640 0.867 0.633 CA 1.364 31 residues pruned to eliminate duplicates Z: 34 17.454 1.876 0.445 0.491 0.909 0.485 CB 1.244 34 residues pruned to eliminate duplicates Z: 12 9.788 1.890 0.813 0.423 0.818 0.545 CA 1.140 12 residues pruned to eliminate duplicates Z: 13 14.529 1.889 0.829 0.594 1.000 0.667 CB 1.109 13 residues pruned to eliminate duplicates Z: 11 16.547 1.977 0.949 0.607 1.000 0.700 CB 1.227 11 residues pruned to eliminate duplicates Z: 13 10.915 1.890 0.792 0.501 0.917 0.667 CB 1.013 13 residues pruned to eliminate duplicates Z: 41 13.504 1.747 0.658 0.435 0.875 0.550 CB 0.902 46 residues pruned to eliminate duplicates Z: 6 5.229 1.350 0.831 0.491 1.000 0.600 CA 0.955 Z: 7 3.651 1.449 1.018 0.302 0.667 0.500 CA 0.953 7 residues pruned to eliminate duplicates Z: 8 7.061 1.834 0.397 0.572 1.000 0.857 CB 0.971 8 residues pruned to eliminate duplicates Z: 22 11.356 1.829 0.550 0.410 0.952 0.571 CB 1.010 22 residues pruned to eliminate duplicates Z: 23 7.110 1.781 0.337 0.302 0.864 0.455 CB 0.919 23 residues pruned to eliminate duplicates Z: 24 7.546 1.781 0.319 0.306 0.826 0.478 CB 1.006 24 residues pruned to eliminate duplicates Z: 20 10.123 1.862 0.476 0.378 0.895 0.632 CB 1.076 20 residues pruned to eliminate duplicates Z: 19 9.795 1.858 0.373 0.377 0.833 0.444 CB 1.238 19 residues pruned to eliminate duplicates Z: 23 8.391 1.844 0.498 0.327 0.864 0.591 CB 0.906 23 residues pruned to eliminate duplicates Z: 20 7.604 1.716 0.459 0.360 0.737 0.421 CB 1.099 20 residues pruned to eliminate duplicates Z: 20 9.108 1.844 0.432 0.372 0.842 0.579 CB 1.078 20 residues pruned to eliminate duplicates Z: 23 10.582 1.863 0.349 0.379 0.864 0.455 CB 1.182 23 residues pruned to eliminate duplicates Z: 17 7.205 1.765 0.339 0.334 0.875 0.625 CB 1.044 17 residues pruned to eliminate duplicates Z: 15 7.851 1.918 0.409 0.335 0.857 0.357 CB 1.084 21 residues pruned to eliminate duplicates Z: 23 8.212 1.871 0.323 0.332 0.864 0.500 CB 0.984 23 residues pruned to eliminate duplicates Z: 19 8.805 1.903 0.427 0.373 0.833 0.500 CB 1.050 19 residues pruned to eliminate duplicates Z: 6 4.068 1.405 0.633 0.451 0.800 0.600 N 1.042 5 residues pruned to eliminate duplicates Z: 6 4.632 1.571 1.137 0.361 0.600 0.200 N 1.195 Z: 6 5.370 1.679 0.509 0.634 0.800 0.600 CA 1.045 6 residues pruned to eliminate duplicates Z: 16 15.241 1.800 0.505 0.718 0.933 0.733 CB 1.278 17 residues pruned to eliminate duplicates Z: 18 12.198 1.674 0.413 0.691 0.882 0.706 CA 1.190 18 residues pruned to eliminate duplicates Z: 13 10.469 1.702 0.540 0.663 1.000 0.417 CB 0.991 13 residues pruned to eliminate duplicates Z: 6 4.151 1.802 0.419 0.334 0.800 0.400 CA 1.088 6 residues pruned to eliminate duplicates Z: 12 9.296 1.722 0.084 0.737 0.909 0.545 CA 1.335 12 residues pruned to eliminate duplicates Z: 11 16.060 1.840 0.497 0.839 1.000 0.800 CB 1.377 11 residues pruned to eliminate duplicates Z: 11 13.457 1.783 0.315 0.814 1.000 0.900 CA 1.382 11 residues pruned to eliminate duplicates Z: 12 11.353 1.768 0.246 0.777 1.000 0.818 CA 1.217 12 residues pruned to eliminate duplicates Z: 12 12.666 1.759 0.456 0.710 1.000 0.909 CA 1.232 12 residues pruned to eliminate duplicates Z: 11 14.973 1.822 0.657 0.771 1.000 0.600 CB 1.234 12 residues pruned to eliminate duplicates Z: 11 15.016 1.846 0.680 0.768 1.000 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 8 10.252 1.627 0.495 0.821 1.000 0.286 CA 1.206 8 residues pruned to eliminate duplicates Z: 7 6.957 1.627 0.226 0.833 1.000 0.667 CA 1.067 7 residues pruned to eliminate duplicates Z: 7 9.567 1.703 0.457 0.824 1.000 0.667 CA 1.189 7 residues pruned to eliminate duplicates Z: 9 6.700 1.537 0.326 0.746 0.875 0.625 CA 1.067 8 residues pruned to eliminate duplicates Z: 9 7.607 1.491 0.424 0.796 0.875 0.750 CA 1.117 9 residues pruned to eliminate duplicates Z: 28 19.933 1.855 0.530 0.584 0.926 0.630 CB 1.346 62 residues pruned to eliminate duplicates Z: 27 24.595 1.944 0.699 0.617 0.962 0.615 CB 1.360 27 residues pruned to eliminate duplicates Z: 26 26.266 1.980 0.693 0.614 1.000 0.640 CB 1.406 26 residues pruned to eliminate duplicates Z: 29 20.750 1.888 0.471 0.586 0.929 0.714 CB 1.400 29 residues pruned to eliminate duplicates Z: 28 18.939 1.960 0.381 0.619 0.852 0.741 CB 1.413 28 residues pruned to eliminate duplicates Z: 17 10.131 1.903 0.456 0.337 0.812 0.625 CA 1.344 17 residues pruned to eliminate duplicates Z: 17 11.315 1.853 0.740 0.411 0.750 0.500 CA 1.285 17 residues pruned to eliminate duplicates Z: 15 10.578 1.932 0.583 0.371 0.857 0.500 CA 1.239 15 residues pruned to eliminate duplicates Z: 19 12.665 1.832 0.605 0.374 0.944 0.611 CB 1.230 19 residues pruned to eliminate duplicates Z: 16 13.330 1.857 0.564 0.460 0.933 0.667 CA 1.323 16 residues pruned to eliminate duplicates Z: 26 19.283 1.926 0.425 0.621 0.960 0.680 CA 1.306 26 residues pruned to eliminate duplicates Z: 15 11.726 1.926 0.324 0.538 1.000 0.786 CA 1.184 15 residues pruned to eliminate duplicates Z: 16 15.814 1.959 0.539 0.530 0.933 0.733 CA 1.409 16 residues pruned to eliminate duplicates Z: 24 21.634 1.957 0.688 0.645 0.957 0.652 CB 1.247 24 residues pruned to eliminate duplicates Z: 25 24.699 1.990 0.529 0.720 0.958 0.792 CB 1.417 25 residues pruned to eliminate duplicates Z: 34 20.074 1.916 0.430 0.557 0.970 0.758 CB 1.245 34 residues pruned to eliminate duplicates Z: 27 22.899 1.914 0.620 0.634 1.000 0.692 CB 1.277 27 residues pruned to eliminate duplicates Z: 28 25.043 1.913 0.654 0.633 1.000 0.667 CB 1.345 28 residues pruned to eliminate duplicates Z: 28 25.403 1.920 0.598 0.627 0.963 0.704 CB 1.469 28 residues pruned to eliminate duplicates Z: 25 24.393 1.985 0.755 0.692 0.917 0.750 CB 1.308 25 residues pruned to eliminate duplicates Z: 28 25.401 1.948 0.547 0.643 0.963 0.593 CB 1.473 28 residues pruned to eliminate duplicates Z: 18 17.147 1.946 0.519 0.580 0.941 0.765 CA 1.385 19 residues pruned to eliminate duplicates Z: 10 6.234 1.599 0.268 0.364 1.000 0.333 CA 1.186 10 residues pruned to eliminate duplicates Z: 32 18.452 1.931 0.520 0.466 0.871 0.613 CA 1.341 31 residues pruned to eliminate duplicates Z: 7 4.357 1.316 0.578 0.472 1.000 0.667 CB 0.881 Z: 6 2.676 1.312 0.858 0.333 1.000 0.600 CB 0.590 6 residues pruned to eliminate duplicates Z: 8 7.694 1.881 0.500 0.421 1.000 0.857 CB 1.120 5 residues pruned to eliminate duplicates Z: 7 10.989 1.583 0.911 0.845 1.000 0.667 CA 1.103 7 residues pruned to eliminate duplicates Z: 8 4.021 1.823 0.342 0.211 0.857 0.571 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 8.857 2.017 0.514 0.497 1.000 0.800 CB 1.301 6 residues pruned to eliminate duplicates Z: 6 7.013 1.916 0.252 0.484 1.000 1.000 CB 1.329 6 residues pruned to eliminate duplicates Z: 8 4.508 1.904 0.172 0.334 1.000 0.714 CB 0.915 8 residues pruned to eliminate duplicates Z: 21 8.419 1.788 0.532 0.376 0.800 0.700 CB 0.981 11 residues pruned to eliminate duplicates Z: 12 20.917 1.908 0.844 0.833 1.000 0.818 CA 1.344 11 residues pruned to eliminate duplicates Z: 11 17.418 1.993 0.785 0.797 0.900 0.700 CA 1.327 11 residues pruned to eliminate duplicates Z: 15 8.531 1.778 0.813 0.441 0.714 0.429 CB 1.052 15 residues pruned to eliminate duplicates Z: 16 15.283 1.959 0.956 0.470 0.867 0.533 CB 1.225 16 residues pruned to eliminate duplicates Z: 17 12.549 1.986 0.480 0.485 0.938 0.500 CB 1.156 17 residues pruned to eliminate duplicates Z: 19 13.238 1.888 0.432 0.462 0.944 0.500 CB 1.270 19 residues pruned to eliminate duplicates Z: 14 13.664 1.815 0.565 0.672 1.000 0.846 CA 1.139 14 residues pruned to eliminate duplicates Z: 13 10.369 1.876 0.538 0.677 0.833 0.667 CA 1.058 13 residues pruned to eliminate duplicates Z: 14 10.605 1.891 0.395 0.645 0.769 0.615 CA 1.266 14 residues pruned to eliminate duplicates Z: 20 13.434 1.839 0.559 0.566 0.895 0.737 CB 1.127 20 residues pruned to eliminate duplicates 874 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 13 D: 10 E: 11 F: 19 G: 6 H: 11 I: 9 J: 22 K: 8 L: 9 M: 8 N: 9 O: 17 P: 62 Q: 25 R: 13 S: 10 T: 7 U: 12 V: 21 W: 14 X: 16 Y: 8 Z: 22 Z: 16 Z: 17 Z: 34 Z: 9 Z: 17 Z: 15 Z: 11 Z: 9 Z: 8 Z: 9 Z: 163 Z: 7 Z: 16 Z: 55 Z: 53 Z: 15 Z: 43 CC for partial structure against native data = 32.10 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.431, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.493, Connect. = 0.726 for dens.mod. cycle 2 = 0.300, Contrast = 0.580, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.588, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.596, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.600, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.604, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.606, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.607, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.608, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4547 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1151 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 11.617 1.752 0.295 0.846 1.000 0.875 CB 1.344 B: 14 14.908 1.739 0.539 0.848 1.000 0.538 CB 1.146 C: 18 26.186 1.982 0.701 0.827 0.941 0.765 CB 1.509 D: 12 19.538 1.838 0.887 0.861 0.909 0.636 CA 1.373 E: 18 23.451 1.992 0.429 0.807 0.941 0.765 CA 1.624 18 residues pruned to eliminate duplicates F: 22 20.734 1.813 0.513 0.813 0.952 0.714 CA 1.319 G: 12 21.608 1.887 0.749 0.867 1.000 0.727 CA 1.444 H: 13 19.429 1.954 1.005 0.839 0.833 0.583 CB 1.283 13 residues pruned to eliminate duplicates I: 19 24.249 1.995 0.591 0.784 0.889 0.611 CB 1.578 19 residues pruned to eliminate duplicates J: 19 28.014 1.973 0.826 0.777 0.944 0.611 CA 1.521 18 residues pruned to eliminate duplicates K: 18 22.064 2.002 0.512 0.786 0.882 0.765 CA 1.558 18 residues pruned to eliminate duplicates L: 11 9.787 1.910 0.124 0.850 1.000 0.900 CB 1.068 M: 14 21.136 1.873 0.540 0.916 1.000 0.846 CB 1.435 13 residues pruned to eliminate duplicates N: 17 10.231 1.887 0.352 0.398 0.812 0.562 CA 1.373 O: 25 14.688 1.883 0.425 0.444 0.833 0.708 CA 1.421 P: 10 11.821 1.798 0.351 0.890 1.000 0.889 CA 1.167 Q: 12 26.722 2.033 0.772 0.912 1.000 0.909 CB 1.585 14 residues pruned to eliminate duplicates R: 16 27.262 1.877 0.720 0.901 1.000 0.867 CA 1.556 S: 11 7.290 1.799 0.129 0.806 0.900 0.700 CB 0.965 11 residues pruned to eliminate duplicates T: 18 23.400 1.996 0.853 0.777 0.941 0.765 CB 1.277 20 residues pruned to eliminate duplicates U: 15 21.059 2.006 0.800 0.825 0.929 0.714 CA 1.267 V: 18 30.270 2.018 0.586 0.851 1.000 0.882 CA 1.698 26 residues pruned to eliminate duplicates W: 11 18.674 2.109 0.745 0.793 0.900 0.800 CA 1.378 11 residues pruned to eliminate duplicates X: 17 11.938 1.941 0.373 0.461 0.875 0.562 CB 1.332 Y: 8 7.011 1.803 0.214 0.579 0.857 0.857 CB 1.309 Z: 6 6.962 1.970 0.118 0.798 0.800 0.400 CB 1.362 Z: 8 9.083 1.893 0.146 0.616 1.000 0.714 CB 1.419 Z: 7 8.028 1.648 0.530 0.833 1.000 0.667 CB 0.976 Z: 14 18.055 1.840 0.724 0.790 1.000 0.846 CA 1.224 Z: 49 23.975 1.868 0.619 0.471 0.875 0.521 CB 1.347 25 residues pruned to eliminate duplicates Z: 18 24.008 1.836 0.674 0.911 0.941 0.824 CA 1.427 Z: 21 23.961 1.931 0.577 0.784 1.000 0.750 CB 1.371 18 residues pruned to eliminate duplicates Z: 18 29.417 1.850 0.926 0.908 1.000 0.824 CB 1.422 17 residues pruned to eliminate duplicates Z: 11 5.167 1.755 0.625 0.245 0.700 0.500 CB 1.099 Z: 15 20.262 1.796 0.860 0.912 0.929 0.643 CA 1.237 15 residues pruned to eliminate duplicates Z: 8 9.231 1.606 0.760 0.881 0.857 0.714 CB 1.042 6 residues pruned to eliminate duplicates Z: 17 19.531 1.963 0.659 0.802 0.938 0.750 CA 1.228 17 residues pruned to eliminate duplicates Z: 17 22.734 1.907 0.458 0.933 1.000 0.938 CA 1.426 17 residues pruned to eliminate duplicates Z: 14 22.188 1.876 0.796 0.902 0.923 0.615 CB 1.412 14 residues pruned to eliminate duplicates Z: 13 21.064 1.942 0.752 0.859 0.917 0.750 CA 1.435 13 residues pruned to eliminate duplicates Z: 17 19.789 1.785 0.813 0.891 0.938 0.688 CB 1.173 Z: 13 18.441 1.781 0.752 0.834 1.000 0.583 CB 1.279 Z: 16 19.905 1.841 0.517 0.923 0.933 0.933 CA 1.385 16 residues pruned to eliminate duplicates Z: 16 20.921 1.914 0.728 0.817 0.867 0.867 CA 1.431 16 residues pruned to eliminate duplicates Z: 9 6.264 1.609 0.288 0.825 0.875 0.875 CA 0.922 9 residues pruned to eliminate duplicates Z: 10 11.236 1.841 0.408 0.812 0.889 0.667 CB 1.239 10 residues pruned to eliminate duplicates Z: 14 25.825 2.040 0.664 0.936 1.000 1.000 CA 1.470 14 residues pruned to eliminate duplicates Z: 18 27.226 2.058 0.582 0.793 1.000 0.706 CA 1.569 18 residues pruned to eliminate duplicates Z: 12 9.059 1.835 0.540 0.418 0.909 0.455 CB 1.159 11 residues pruned to eliminate duplicates Z: 12 15.777 1.914 0.561 0.879 1.000 0.909 CA 1.154 Z: 10 8.939 1.510 0.861 0.784 0.889 0.667 CB 0.929 10 residues pruned to eliminate duplicates Z: 19 21.760 2.001 0.711 0.712 0.889 0.611 CB 1.390 19 residues pruned to eliminate duplicates Z: 19 27.980 1.959 0.855 0.770 0.889 0.667 CA 1.607 19 residues pruned to eliminate duplicates Z: 16 16.618 2.014 0.367 0.866 1.000 0.867 CA 1.141 16 residues pruned to eliminate duplicates Z: 7 11.300 1.749 0.689 0.876 1.000 0.833 CA 1.135 7 residues pruned to eliminate duplicates Z: 6 8.102 1.684 0.234 0.861 1.000 1.000 CB 1.281 6 residues pruned to eliminate duplicates Z: 9 3.470 1.598 0.025 0.367 0.750 0.500 CB 1.152 Z: 8 3.275 1.711 0.143 0.395 0.714 0.429 CB 0.990 Z: 21 19.046 1.834 0.680 0.709 0.950 0.500 CB 1.204 21 residues pruned to eliminate duplicates Z: 15 23.399 1.986 0.665 0.886 0.929 0.786 CA 1.469 15 residues pruned to eliminate duplicates Z: 9 6.531 1.614 0.389 0.851 0.875 0.875 CA 0.872 9 residues pruned to eliminate duplicates Z: 16 6.734 1.803 0.290 0.368 0.733 0.667 CB 1.175 16 residues pruned to eliminate duplicates Z: 34 21.540 1.886 0.566 0.488 0.848 0.515 CA 1.514 22 residues pruned to eliminate duplicates Z: 32 21.158 1.894 0.612 0.480 0.903 0.516 CA 1.407 32 residues pruned to eliminate duplicates Z: 11 16.971 1.869 0.640 0.878 0.900 0.800 CA 1.412 12 residues pruned to eliminate duplicates Z: 23 18.344 1.836 0.504 0.698 0.955 0.545 CB 1.239 23 residues pruned to eliminate duplicates Z: 20 25.102 2.008 0.662 0.780 0.895 0.579 CB 1.507 20 residues pruned to eliminate duplicates Z: 17 9.784 1.699 0.643 0.473 0.750 0.688 CB 1.201 Z: 11 11.362 1.852 0.682 0.774 1.000 0.700 CB 0.905 Z: 17 26.945 2.099 0.619 0.820 0.938 0.875 CA 1.602 17 residues pruned to eliminate duplicates Z: 21 20.246 1.950 0.499 0.783 0.900 0.650 CB 1.341 21 residues pruned to eliminate duplicates Z: 9 13.995 1.928 0.522 0.878 0.875 0.750 CA 1.398 Z: 21 19.594 1.951 0.446 0.751 0.950 0.700 CB 1.307 21 residues pruned to eliminate duplicates Z: 18 26.330 1.898 0.776 0.862 0.941 0.529 N 1.478 18 residues pruned to eliminate duplicates Z: 26 11.153 1.787 0.316 0.403 0.840 0.480 CB 1.252 Z: 6 6.704 1.941 0.108 0.558 1.000 0.800 N 1.318 Z: 15 16.573 1.958 0.415 0.874 0.857 0.857 CA 1.357 15 residues pruned to eliminate duplicates Z: 15 22.218 1.841 0.906 0.855 0.857 0.500 C 1.457 15 residues pruned to eliminate duplicates Z: 11 11.854 1.881 0.461 0.689 0.900 0.700 CB 1.275 11 residues pruned to eliminate duplicates Z: 16 15.794 1.917 0.353 0.827 0.933 0.800 CA 1.269 16 residues pruned to eliminate duplicates Z: 7 11.081 1.693 0.500 0.860 1.000 0.833 CB 1.310 7 residues pruned to eliminate duplicates Z: 14 20.962 1.923 0.584 0.894 1.000 0.769 CA 1.369 12 residues pruned to eliminate duplicates Z: 17 26.624 1.864 0.635 0.920 1.000 1.000 CA 1.538 17 residues pruned to eliminate duplicates Z: 20 13.552 1.714 0.498 0.683 0.947 0.737 CA 1.080 20 residues pruned to eliminate duplicates Z: 18 22.283 1.848 0.679 0.898 1.000 0.765 CB 1.246 18 residues pruned to eliminate duplicates Z: 16 20.767 1.877 0.816 0.833 0.867 0.733 CB 1.362 16 residues pruned to eliminate duplicates Z: 16 12.010 1.858 0.216 0.534 1.000 0.867 CB 1.327 16 residues pruned to eliminate duplicates Z: 8 9.051 1.568 0.925 0.896 0.857 0.714 CB 0.947 8 residues pruned to eliminate duplicates Z: 9 10.901 1.854 0.252 0.807 1.000 0.625 CB 1.271 7 residues pruned to eliminate duplicates Z: 8 11.721 2.061 0.735 0.787 0.857 0.429 CB 1.123 9 residues pruned to eliminate duplicates Z: 17 25.576 1.945 0.567 0.902 1.000 0.875 CA 1.497 18 residues pruned to eliminate duplicates Z: 6 4.581 1.804 0.577 0.407 0.600 0.600 N 1.323 Z: 6 5.812 1.932 0.076 0.657 0.800 0.800 CB 1.352 6 residues pruned to eliminate duplicates Z: 13 18.013 2.008 0.417 0.874 1.000 0.917 CA 1.331 12 residues pruned to eliminate duplicates Z: 10 11.693 1.913 0.551 0.810 0.889 0.556 CB 1.129 11 residues pruned to eliminate duplicates Z: 15 26.195 1.974 0.881 0.910 0.929 0.786 CA 1.440 15 residues pruned to eliminate duplicates Z: 32 15.645 1.767 0.540 0.518 0.903 0.613 CB 1.123 26 residues pruned to eliminate duplicates Z: 17 20.572 2.079 0.428 0.780 0.875 0.750 CB 1.547 17 residues pruned to eliminate duplicates Z: 9 9.427 1.984 0.541 0.292 1.000 0.500 CB 1.376 Z: 12 11.772 1.808 0.420 0.823 0.909 0.818 CB 1.150 12 residues pruned to eliminate duplicates Z: 10 9.640 1.684 0.537 0.671 1.000 0.667 CB 1.061 10 residues pruned to eliminate duplicates Z: 13 9.020 1.867 0.440 0.442 0.750 0.417 CB 1.371 13 residues pruned to eliminate duplicates Z: 11 20.473 2.069 0.811 0.817 0.900 0.400 CA 1.458 11 residues pruned to eliminate duplicates Z: 18 22.397 1.984 0.526 0.770 1.000 0.706 CB 1.412 18 residues pruned to eliminate duplicates Z: 8 8.252 1.756 0.372 0.576 0.857 0.429 O 1.404 Z: 7 6.581 1.743 0.476 0.737 0.833 0.500 CB 1.013 Z: 32 22.379 1.958 0.496 0.456 0.935 0.548 CB 1.535 37 residues pruned to eliminate duplicates Z: 8 14.034 2.113 0.459 0.867 0.857 0.714 CA 1.468 Z: 13 17.178 1.911 0.365 0.913 1.000 0.917 CB 1.345 13 residues pruned to eliminate duplicates Z: 19 19.929 1.955 0.392 0.825 0.889 0.833 CA 1.465 19 residues pruned to eliminate duplicates Z: 17 33.832 1.936 0.920 0.920 1.000 1.000 CA 1.602 17 residues pruned to eliminate duplicates Z: 15 11.908 1.660 0.649 0.843 1.000 0.786 CB 0.866 14 residues pruned to eliminate duplicates Z: 15 11.958 1.832 0.194 0.822 0.929 0.929 CB 1.190 Z: 10 12.528 1.772 0.715 0.817 0.889 0.556 CB 1.174 10 residues pruned to eliminate duplicates Z: 6 3.963 1.527 0.417 0.718 1.000 0.800 CB 0.673 Z: 11 11.360 1.859 0.790 0.832 0.800 0.700 CA 1.013 8 residues pruned to eliminate duplicates Z: 20 20.676 1.912 0.505 0.827 0.947 0.737 CB 1.311 21 residues pruned to eliminate duplicates Z: 30 16.712 1.872 0.468 0.506 0.862 0.552 CA 1.302 30 residues pruned to eliminate duplicates Z: 11 15.389 1.924 0.553 0.858 1.000 0.900 CB 1.200 Z: 16 7.647 1.648 0.413 0.455 0.733 0.467 CA 1.211 16 residues pruned to eliminate duplicates Z: 7 9.769 1.787 0.405 0.847 1.000 0.500 CA 1.178 7 residues pruned to eliminate duplicates Z: 9 12.139 1.730 0.459 0.827 1.000 0.875 CB 1.280 9 residues pruned to eliminate duplicates Z: 7 8.307 1.654 0.770 0.792 1.000 0.833 CB 0.897 Z: 15 27.312 1.882 0.926 0.882 1.000 0.786 CB 1.457 16 residues pruned to eliminate duplicates Z: 7 3.720 1.528 0.091 0.841 0.833 0.833 CB 0.815 Z: 12 14.844 1.882 0.526 0.894 1.000 0.818 CB 1.118 9 residues pruned to eliminate duplicates Z: 16 18.815 1.805 0.528 0.900 1.000 0.867 CA 1.258 13 residues pruned to eliminate duplicates Z: 11 13.730 1.864 0.613 0.857 1.000 0.800 CA 1.064 11 residues pruned to eliminate duplicates Z: 10 9.489 1.796 0.353 0.850 1.000 0.889 CB 0.964 10 residues pruned to eliminate duplicates Z: 9 14.116 1.824 0.816 0.864 0.875 0.875 CB 1.263 9 residues pruned to eliminate duplicates Z: 10 13.908 1.884 0.405 0.906 1.000 0.778 CB 1.246 Z: 17 21.842 1.837 0.658 0.907 0.875 0.750 CB 1.456 16 residues pruned to eliminate duplicates Z: 7 6.865 1.893 0.519 0.410 0.833 0.333 CB 1.285 10 residues pruned to eliminate duplicates Z: 15 28.344 1.931 0.963 0.937 1.000 0.929 CB 1.391 15 residues pruned to eliminate duplicates Z: 8 8.202 1.833 0.355 0.650 0.857 0.857 CB 1.266 8 residues pruned to eliminate duplicates Z: 15 11.838 1.652 0.289 0.809 1.000 0.786 CB 1.135 15 residues pruned to eliminate duplicates Z: 13 15.096 1.808 0.463 0.784 0.917 0.750 CB 1.399 10 residues pruned to eliminate duplicates Z: 7 11.638 1.810 0.616 0.876 1.000 0.667 CA 1.181 7 residues pruned to eliminate duplicates Z: 10 6.908 1.769 0.297 0.529 0.778 0.444 CA 1.255 9 residues pruned to eliminate duplicates Z: 11 13.949 1.848 0.477 0.890 1.000 0.600 CB 1.162 10 residues pruned to eliminate duplicates Z: 17 18.153 1.856 0.736 0.774 0.875 0.750 CB 1.263 17 residues pruned to eliminate duplicates Z: 7 3.343 1.501 0.213 0.380 0.667 0.500 CB 1.277 Z: 13 21.044 1.973 0.627 0.858 1.000 0.667 CA 1.393 13 residues pruned to eliminate duplicates Z: 27 21.461 2.074 0.422 0.497 0.923 0.615 CA 1.551 12 residues pruned to eliminate duplicates Z: 12 19.180 1.877 0.822 0.803 1.000 0.818 CB 1.298 11 residues pruned to eliminate duplicates Z: 12 12.681 1.762 0.624 0.857 1.000 0.636 CB 0.985 Z: 11 14.168 2.019 0.494 0.885 0.900 0.600 CA 1.191 11 residues pruned to eliminate duplicates Z: 17 27.172 1.877 0.718 0.931 1.000 0.875 CB 1.473 17 residues pruned to eliminate duplicates Z: 25 15.193 1.760 0.574 0.571 0.833 0.708 CB 1.255 23 residues pruned to eliminate duplicates Z: 19 27.549 1.835 0.853 0.833 1.000 0.722 CA 1.432 19 residues pruned to eliminate duplicates Z: 14 15.535 1.864 0.495 0.863 0.923 0.846 CB 1.229 14 residues pruned to eliminate duplicates Z: 6 6.141 1.599 0.463 0.647 0.800 0.600 O 1.280 Z: 12 12.747 1.762 0.557 0.855 1.000 0.727 CB 1.034 12 residues pruned to eliminate duplicates Z: 7 4.281 1.867 0.444 0.244 0.833 0.333 CB 1.046 Z: 8 4.797 1.331 0.316 0.859 1.000 0.714 N 0.762 8 residues pruned to eliminate duplicates Z: 10 5.532 1.714 0.484 0.280 0.889 0.556 CB 1.046 Z: 12 12.300 1.917 0.507 0.770 0.909 0.364 CB 1.112 12 residues pruned to eliminate duplicates Z: 13 17.960 1.889 0.459 0.890 1.000 0.917 CA 1.353 13 residues pruned to eliminate duplicates Z: 7 7.568 1.773 0.538 0.719 0.833 0.500 CB 1.115 Z: 16 28.171 1.906 0.858 0.906 0.933 0.733 CA 1.566 16 residues pruned to eliminate duplicates Z: 6 4.728 1.801 -0.016 0.607 1.000 0.600 CB 1.078 Z: 14 6.522 1.890 0.332 0.375 0.769 0.538 CB 1.068 Z: 16 17.769 1.839 0.621 0.901 0.933 0.867 CB 1.177 18 residues pruned to eliminate duplicates Z: 10 10.694 1.836 0.475 0.834 1.000 0.444 CB 0.987 10 residues pruned to eliminate duplicates Z: 9 13.509 1.626 0.666 0.898 1.000 0.625 CB 1.262 Z: 10 12.728 1.767 0.527 0.838 1.000 0.556 CB 1.175 10 residues pruned to eliminate duplicates Z: 20 22.304 1.904 0.689 0.723 0.895 0.789 CB 1.454 19 residues pruned to eliminate duplicates 7 1.832 1.792 -0.201 0.409 0.500 0.167 CB 1.149 ? Z: 11 16.046 1.923 0.717 0.843 1.000 0.900 CB 1.144 11 residues pruned to eliminate duplicates Z: 6 4.721 1.681 0.900 0.852 1.000 0.600 CB 0.489 Z: 14 6.497 1.797 0.441 0.322 0.769 0.692 CB 1.100 9 residues pruned to eliminate duplicates Z: 15 22.240 1.825 0.958 0.923 1.000 0.786 CB 1.169 24 residues pruned to eliminate duplicates Z: 30 23.662 1.896 0.635 0.610 0.931 0.655 CB 1.371 21 residues pruned to eliminate duplicates Z: 17 19.772 2.083 0.267 0.820 0.938 0.812 CA 1.513 17 residues pruned to eliminate duplicates Z: 18 21.675 1.916 0.820 0.736 0.882 0.412 CB 1.382 18 residues pruned to eliminate duplicates Z: 9 14.517 1.673 0.822 0.866 1.000 0.750 CB 1.232 9 residues pruned to eliminate duplicates Z: 8 7.435 1.762 0.751 0.418 0.857 0.429 CB 1.157 6 residues pruned to eliminate duplicates Z: 6 5.202 1.848 -0.101 0.656 1.000 1.000 CB 1.212 6 residues pruned to eliminate duplicates Z: 25 14.319 1.760 0.390 0.566 0.875 0.583 CB 1.281 23 residues pruned to eliminate duplicates Z: 29 18.457 1.784 0.546 0.599 0.893 0.571 CA 1.288 29 residues pruned to eliminate duplicates Z: 18 29.232 1.884 0.764 0.916 1.000 0.824 CA 1.506 18 residues pruned to eliminate duplicates Z: 9 10.545 1.864 0.110 0.844 1.000 0.750 CB 1.340 9 residues pruned to eliminate duplicates Z: 8 8.673 1.538 0.611 0.596 1.000 0.571 CA 1.206 10 residues pruned to eliminate duplicates Z: 16 24.008 1.878 0.791 0.894 0.933 0.800 CA 1.416 16 residues pruned to eliminate duplicates Z: 6 6.008 1.805 0.011 0.519 1.000 0.600 CB 1.445 7 residues pruned to eliminate duplicates Z: 20 23.687 1.698 0.727 0.860 1.000 0.737 CA 1.362 20 residues pruned to eliminate duplicates Z: 7 9.831 1.592 0.583 0.817 1.000 0.667 CB 1.209 7 residues pruned to eliminate duplicates Z: 6 11.142 1.908 0.785 0.793 0.800 0.600 CA 1.414 6 residues pruned to eliminate duplicates Z: 10 8.490 1.846 0.231 0.537 0.778 0.556 CB 1.544 8 residues pruned to eliminate duplicates Z: 11 9.106 1.598 0.441 0.883 0.900 0.600 CB 1.004 Z: 7 2.429 1.238 0.189 0.461 0.667 0.500 C 1.051 Z: 18 27.818 1.862 0.842 0.900 0.941 0.765 CA 1.493 17 residues pruned to eliminate duplicates Z: 6 5.575 1.701 0.334 0.531 0.800 0.600 O 1.333 Z: 10 8.710 1.558 0.572 0.884 0.889 0.667 CB 0.963 10 residues pruned to eliminate duplicates Z: 19 23.182 1.972 0.649 0.777 1.000 0.778 CB 1.316 19 residues pruned to eliminate duplicates Z: 14 12.906 1.643 0.432 0.877 1.000 0.846 CB 1.105 14 residues pruned to eliminate duplicates Z: 16 17.799 1.762 0.663 0.888 0.933 0.800 CB 1.210 16 residues pruned to eliminate duplicates Z: 14 22.909 1.860 0.636 0.922 0.923 0.846 CA 1.591 14 residues pruned to eliminate duplicates 7 1.721 1.382 -0.150 0.283 0.833 0.333 CB 0.916 ? Z: 18 21.325 1.811 0.537 0.921 1.000 0.941 CA 1.308 18 residues pruned to eliminate duplicates Z: 6 3.267 1.687 0.249 0.742 1.000 0.600 CB 0.558 Z: 29 19.917 1.928 0.533 0.510 0.857 0.536 CB 1.471 29 residues pruned to eliminate duplicates Z: 18 24.078 1.886 0.776 0.879 0.941 0.588 CA 1.343 18 residues pruned to eliminate duplicates Z: 15 17.769 2.012 0.499 0.844 1.000 0.857 CA 1.171 15 residues pruned to eliminate duplicates Z: 17 32.717 1.913 1.160 0.921 0.938 0.625 CA 1.485 18 residues pruned to eliminate duplicates Z: 17 19.114 1.775 0.972 0.899 0.938 0.625 CB 1.041 16 residues pruned to eliminate duplicates Z: 18 24.848 1.786 0.713 0.919 1.000 0.882 CB 1.387 18 residues pruned to eliminate duplicates Z: 8 6.098 1.364 0.376 0.777 1.000 0.857 CB 0.962 6 residues pruned to eliminate duplicates Z: 9 8.363 1.860 0.356 0.542 1.000 0.375 CB 1.125 9 residues pruned to eliminate duplicates Z: 7 3.956 1.662 0.077 0.828 0.833 0.833 CB 0.816 Z: 10 7.761 1.590 0.456 0.776 0.889 0.667 CB 0.984 7 residues pruned to eliminate duplicates Z: 10 4.048 1.468 0.541 0.296 0.778 0.444 CB 0.964 10 residues pruned to eliminate duplicates Z: 19 9.092 1.860 0.492 0.315 0.833 0.611 CB 1.136 16 residues pruned to eliminate duplicates Z: 19 11.388 1.784 0.508 0.395 0.889 0.500 CB 1.254 Z: 12 5.473 1.653 0.339 0.315 0.818 0.636 CB 1.118 Z: 28 23.442 1.970 0.475 0.646 0.889 0.667 CA 1.524 28 residues pruned to eliminate duplicates Z: 15 22.837 1.938 0.717 0.878 0.929 0.571 CB 1.433 15 residues pruned to eliminate duplicates Z: 13 5.142 1.661 0.123 0.346 0.750 0.250 CB 1.254 13 residues pruned to eliminate duplicates Z: 13 20.133 1.879 0.455 0.911 1.000 0.833 CB 1.507 13 residues pruned to eliminate duplicates Z: 6 6.539 1.763 0.863 0.840 1.000 0.800 CB 0.665 Z: 9 5.433 1.623 0.280 0.556 1.000 0.625 CB 0.876 Z: 8 5.149 1.391 0.750 0.471 0.714 0.286 N 1.152 Z: 10 9.962 1.779 0.361 0.798 0.889 0.667 CB 1.188 10 residues pruned to eliminate duplicates Z: 10 11.430 1.841 0.745 0.668 0.889 0.667 CB 1.143 9 residues pruned to eliminate duplicates Z: 24 18.431 1.813 0.739 0.496 0.870 0.435 N 1.407 24 residues pruned to eliminate duplicates Z: 6 5.665 1.841 0.234 0.409 0.800 0.600 N 1.534 Z: 17 23.127 1.888 0.467 0.918 1.000 0.875 CA 1.473 17 residues pruned to eliminate duplicates Z: 15 9.033 1.635 0.383 0.772 0.857 0.714 CB 0.978 15 residues pruned to eliminate duplicates Z: 15 15.578 1.894 0.231 0.914 1.000 1.000 CA 1.263 15 residues pruned to eliminate duplicates Z: 7 8.054 1.692 0.857 0.827 0.833 0.500 CB 0.946 7 residues pruned to eliminate duplicates Z: 24 9.612 1.768 0.484 0.346 0.826 0.348 CB 1.092 Z: 18 18.774 1.762 0.474 0.935 1.000 0.941 CA 1.222 17 residues pruned to eliminate duplicates Z: 7 4.691 1.700 0.130 0.439 0.833 0.500 N 1.274 7 residues pruned to eliminate duplicates Z: 12 15.333 1.848 0.433 0.869 0.909 0.909 CB 1.402 13 residues pruned to eliminate duplicates Z: 17 15.670 1.916 0.333 0.798 1.000 0.750 CA 1.183 17 residues pruned to eliminate duplicates Z: 31 25.924 2.006 0.703 0.518 0.900 0.600 CB 1.513 32 residues pruned to eliminate duplicates Z: 17 25.953 1.925 0.741 0.869 1.000 0.688 CA 1.414 18 residues pruned to eliminate duplicates Z: 6 2.167 1.373 0.026 0.421 0.800 0.600 CB 0.933 Z: 12 12.209 1.918 0.056 0.915 1.000 0.909 CA 1.284 12 residues pruned to eliminate duplicates Z: 14 29.497 2.012 1.023 0.870 0.923 0.846 CB 1.589 15 residues pruned to eliminate duplicates Z: 14 17.193 1.889 0.636 0.833 0.923 0.769 CA 1.254 15 residues pruned to eliminate duplicates Z: 18 21.018 1.744 0.773 0.924 0.882 0.588 CB 1.312 18 residues pruned to eliminate duplicates Z: 6 8.049 1.627 0.317 0.790 1.000 0.800 CA 1.302 Z: 17 29.816 1.849 0.867 0.927 1.000 0.750 CB 1.514 18 residues pruned to eliminate duplicates Z: 10 7.784 1.736 0.065 0.641 1.000 0.667 CB 1.231 Z: 7 8.487 1.575 0.508 0.719 1.000 0.500 N 1.197 Z: 10 17.556 1.917 0.508 0.885 1.000 0.889 CB 1.462 10 residues pruned to eliminate duplicates Z: 19 20.394 1.767 0.655 0.873 0.944 0.889 CA 1.267 19 residues pruned to eliminate duplicates Z: 18 22.508 1.747 0.746 0.904 0.941 0.824 CA 1.355 18 residues pruned to eliminate duplicates Z: 12 8.646 1.766 0.392 0.844 0.909 0.636 CB 0.868 12 residues pruned to eliminate duplicates Z: 13 7.763 1.888 0.153 0.484 0.750 0.667 CA 1.395 13 residues pruned to eliminate duplicates Z: 11 4.958 1.620 0.279 0.266 0.800 0.600 CB 1.235 6 residues pruned to eliminate duplicates Z: 16 16.769 1.965 0.617 0.773 0.933 0.733 CA 1.147 16 residues pruned to eliminate duplicates Z: 20 9.377 1.773 0.301 0.415 0.789 0.579 CB 1.291 19 residues pruned to eliminate duplicates Z: 16 24.834 1.923 0.864 0.860 0.933 0.867 CA 1.409 16 residues pruned to eliminate duplicates Z: 16 11.063 1.634 0.575 0.432 0.867 0.667 N 1.374 Z: 19 19.659 1.775 0.836 0.855 0.944 0.833 CA 1.110 19 residues pruned to eliminate duplicates Z: 13 6.606 1.810 -0.027 0.489 0.833 0.333 CA 1.315 13 residues pruned to eliminate duplicates Z: 14 21.615 1.910 0.596 0.867 1.000 0.692 CA 1.438 14 residues pruned to eliminate duplicates Z: 17 17.929 1.937 0.425 0.748 0.938 0.625 CB 1.387 17 residues pruned to eliminate duplicates Z: 6 2.261 1.540 0.011 0.366 0.600 0.400 O 1.249 Z: 7 2.246 1.531 0.235 0.248 0.667 0.667 CB 0.972 7 residues pruned to eliminate duplicates Z: 11 15.458 1.921 0.525 0.847 1.000 0.900 CB 1.239 11 residues pruned to eliminate duplicates Z: 6 5.091 1.714 0.394 0.860 0.800 0.400 CB 0.876 6 residues pruned to eliminate duplicates Z: 34 21.493 1.886 0.535 0.555 0.939 0.667 CB 1.303 34 residues pruned to eliminate duplicates Z: 11 12.595 1.814 0.647 0.870 1.000 0.600 CB 0.973 11 residues pruned to eliminate duplicates Z: 27 24.415 1.924 0.633 0.657 0.962 0.731 CA 1.369 27 residues pruned to eliminate duplicates Z: 8 5.363 1.492 0.664 0.682 0.714 0.429 CB 0.967 8 residues pruned to eliminate duplicates Z: 18 18.585 1.751 0.479 0.841 1.000 0.824 CB 1.298 14 residues pruned to eliminate duplicates Z: 7 3.306 1.299 0.476 0.679 0.833 0.500 CB 0.716 Z: 14 16.550 1.779 0.711 0.898 0.923 0.923 CB 1.168 13 residues pruned to eliminate duplicates Z: 14 17.064 1.877 0.708 0.862 0.923 0.846 CA 1.174 14 residues pruned to eliminate duplicates Z: 10 4.783 1.713 0.457 0.444 0.889 0.556 CB 0.761 Z: 17 29.180 1.907 0.686 0.900 1.000 0.875 CA 1.620 17 residues pruned to eliminate duplicates Z: 15 27.196 1.957 0.788 0.935 1.000 0.929 CB 1.449 15 residues pruned to eliminate duplicates Z: 18 28.103 1.851 0.778 0.924 0.941 0.882 CA 1.545 18 residues pruned to eliminate duplicates Z: 7 6.196 1.579 0.375 0.734 1.000 0.500 CB 0.944 7 residues pruned to eliminate duplicates Z: 6 4.530 1.725 0.714 0.415 0.800 0.600 CB 0.936 6 residues pruned to eliminate duplicates Z: 17 14.724 1.951 0.279 0.807 1.000 0.875 CA 1.128 17 residues pruned to eliminate duplicates 7 1.994 1.287 1.034 0.249 0.667 0.667 CA 0.623 ? Z: 6 6.423 1.797 0.425 0.774 0.800 0.600 CB 1.100 6 residues pruned to eliminate duplicates Z: 7 8.647 1.859 0.354 0.637 1.000 0.667 CA 1.234 Z: 6 2.737 1.512 0.504 0.464 0.600 0.600 CB 0.931 4 residues pruned to eliminate duplicates Z: 7 5.121 1.569 0.551 0.601 0.833 0.667 CB 0.936 Z: 15 19.023 1.871 0.736 0.834 0.929 0.857 CA 1.264 15 residues pruned to eliminate duplicates Z: 8 10.854 1.957 0.277 0.733 1.000 0.857 CA 1.332 12 residues pruned to eliminate duplicates Z: 12 12.561 1.808 0.475 0.882 1.000 0.909 CA 1.027 12 residues pruned to eliminate duplicates Z: 6 8.006 1.650 0.317 0.780 1.000 0.800 CA 1.287 6 residues pruned to eliminate duplicates Z: 7 5.421 1.566 0.490 0.455 0.833 0.500 CB 1.191 Z: 12 15.662 1.722 0.724 0.872 1.000 0.727 CB 1.160 11 residues pruned to eliminate duplicates Z: 9 5.086 1.802 -0.116 0.477 0.750 0.250 CB 1.540 9 residues pruned to eliminate duplicates Z: 9 7.882 1.533 0.385 0.869 1.000 0.875 CB 0.959 9 residues pruned to eliminate duplicates Z: 12 11.939 2.077 0.188 0.418 1.000 0.727 CA 1.588 13 residues pruned to eliminate duplicates Z: 18 16.477 2.002 0.527 0.507 0.882 0.588 CB 1.471 18 residues pruned to eliminate duplicates Z: 17 11.453 1.611 0.776 0.777 0.875 0.625 CB 0.896 17 residues pruned to eliminate duplicates Z: 9 12.850 1.785 0.383 0.803 1.000 0.875 CA 1.412 9 residues pruned to eliminate duplicates Z: 18 18.703 1.756 0.614 0.882 0.882 0.824 CA 1.312 17 residues pruned to eliminate duplicates Z: 18 16.953 1.636 0.711 0.879 0.824 0.529 CB 1.294 16 residues pruned to eliminate duplicates Z: 7 7.668 1.623 0.266 0.860 1.000 0.667 CB 1.121 7 residues pruned to eliminate duplicates Z: 17 17.943 1.870 0.548 0.920 0.938 0.875 CA 1.164 17 residues pruned to eliminate duplicates Z: 14 9.515 1.730 0.307 0.899 0.846 0.846 CB 0.986 12 residues pruned to eliminate duplicates Z: 17 20.995 1.871 0.611 0.807 1.000 0.750 CB 1.333 17 residues pruned to eliminate duplicates Z: 7 8.032 1.725 0.577 0.547 1.000 0.833 CA 1.152 Z: 13 15.889 1.776 0.388 0.904 1.000 1.000 CB 1.325 14 residues pruned to eliminate duplicates Z: 7 3.358 1.490 0.311 0.680 0.667 0.500 CB 0.892 7 residues pruned to eliminate duplicates Z: 14 12.087 1.888 0.423 0.591 0.923 0.615 CB 1.239 Z: 9 12.758 1.927 0.323 0.832 1.000 0.750 CB 1.328 9 residues pruned to eliminate duplicates Z: 8 11.923 1.708 0.616 0.849 1.000 0.571 CA 1.210 Z: 33 17.846 1.872 0.467 0.431 0.875 0.562 CB 1.410 33 residues pruned to eliminate duplicates Z: 7 5.690 1.576 0.373 0.781 1.000 0.833 CB 0.837 5 residues pruned to eliminate duplicates Z: 29 13.275 1.913 0.515 0.335 0.893 0.571 CB 1.161 37 residues pruned to eliminate duplicates Z: 17 26.417 1.966 0.519 0.926 1.000 0.875 CA 1.551 17 residues pruned to eliminate duplicates Z: 17 31.635 1.960 0.851 0.891 1.000 0.938 CA 1.567 17 residues pruned to eliminate duplicates Z: 6 2.858 1.637 0.265 0.463 0.600 0.600 CB 1.069 Z: 7 3.819 1.655 -0.025 0.789 0.833 0.500 CB 0.900 7 residues pruned to eliminate duplicates Z: 20 13.473 1.980 0.469 0.435 0.895 0.737 CB 1.270 20 residues pruned to eliminate duplicates Z: 15 13.123 2.030 0.111 0.869 1.000 0.786 CA 1.136 15 residues pruned to eliminate duplicates Z: 8 10.727 1.941 0.080 0.915 1.000 1.000 CA 1.367 8 residues pruned to eliminate duplicates Z: 16 25.092 1.869 0.870 0.863 0.933 0.800 CA 1.457 16 residues pruned to eliminate duplicates Z: 9 15.653 2.069 0.554 0.808 1.000 0.875 CB 1.317 10 residues pruned to eliminate duplicates Z: 16 6.789 1.656 0.235 0.341 0.733 0.533 CB 1.391 16 residues pruned to eliminate duplicates Z: 12 6.401 1.795 0.554 0.296 0.818 0.636 CB 1.062 7 residues pruned to eliminate duplicates Z: 10 8.827 1.719 0.338 0.567 0.889 0.556 CB 1.349 11 residues pruned to eliminate duplicates Z: 13 21.228 1.917 0.718 0.921 1.000 0.917 CA 1.310 13 residues pruned to eliminate duplicates Z: 18 27.241 1.968 1.006 0.747 0.882 0.588 CB 1.520 10 residues pruned to eliminate duplicates Z: 8 3.099 1.503 0.582 0.341 0.571 0.429 N 1.026 Z: 6 3.947 1.699 0.191 0.411 0.800 0.600 CB 1.197 7 residues pruned to eliminate duplicates Z: 7 6.733 1.726 0.199 0.633 0.833 0.500 N 1.406 Z: 15 18.639 1.881 0.521 0.854 1.000 0.571 CB 1.285 15 residues pruned to eliminate duplicates Z: 6 8.696 1.507 0.492 0.857 1.000 1.000 C 1.274 Z: 14 14.610 1.721 0.515 0.875 1.000 0.846 CB 1.130 14 residues pruned to eliminate duplicates Z: 9 13.029 1.774 0.407 0.845 1.000 0.625 CB 1.373 Z: 7 8.268 1.617 0.629 0.830 1.000 0.333 CA 0.963 7 residues pruned to eliminate duplicates Z: 11 9.347 1.716 0.579 0.463 0.900 0.500 CB 1.259 11 residues pruned to eliminate duplicates Z: 12 11.857 1.766 0.533 0.590 0.909 0.455 CB 1.333 12 residues pruned to eliminate duplicates Z: 13 8.563 1.621 0.517 0.722 0.917 0.250 CB 0.898 13 residues pruned to eliminate duplicates Z: 12 3.763 1.476 0.381 0.333 0.818 0.455 CB 0.817 Z: 17 23.588 1.834 1.023 0.892 0.938 0.625 CB 1.217 17 residues pruned to eliminate duplicates Z: 10 12.121 1.868 0.372 0.856 1.000 0.667 CB 1.163 10 residues pruned to eliminate duplicates Z: 9 9.111 1.637 0.528 0.566 0.875 0.500 CA 1.381 7 residues pruned to eliminate duplicates Z: 12 8.860 1.951 0.525 0.549 0.727 0.455 CB 1.177 12 residues pruned to eliminate duplicates Z: 6 2.862 1.354 0.842 0.424 0.600 0.400 O 0.926 Z: 17 30.611 1.920 0.927 0.932 0.938 0.688 CA 1.541 17 residues pruned to eliminate duplicates Z: 18 18.285 1.711 0.409 0.849 1.000 0.882 CB 1.364 18 residues pruned to eliminate duplicates Z: 14 7.182 1.549 0.491 0.382 0.846 0.385 CB 1.155 14 residues pruned to eliminate duplicates Z: 19 19.348 1.804 0.565 0.739 0.889 0.556 CB 1.467 19 residues pruned to eliminate duplicates Z: 19 10.401 1.696 0.435 0.529 1.000 0.556 CB 0.979 10 residues pruned to eliminate duplicates Z: 11 6.520 1.868 0.456 0.385 0.700 0.500 CB 1.224 11 residues pruned to eliminate duplicates Z: 6 11.822 1.598 0.927 0.772 1.000 0.600 CA 1.349 6 residues pruned to eliminate duplicates Z: 9 11.232 1.896 0.527 0.858 0.875 0.875 CB 1.155 9 residues pruned to eliminate duplicates Z: 17 16.220 1.853 0.669 0.653 0.812 0.688 CB 1.400 17 residues pruned to eliminate duplicates 7 1.582 1.468 0.446 0.453 0.667 0.500 CB 0.479 ? Z: 20 19.511 1.883 0.511 0.733 0.895 0.684 CA 1.426 20 residues pruned to eliminate duplicates Z: 8 11.763 1.826 0.667 0.866 0.857 0.571 CB 1.248 8 residues pruned to eliminate duplicates Z: 10 5.651 1.536 0.376 0.444 0.778 0.556 CA 1.214 Z: 22 19.265 2.010 0.486 0.465 0.952 0.619 CB 1.531 22 residues pruned to eliminate duplicates Z: 10 10.562 1.612 0.338 0.846 1.000 0.889 N 1.213 9 residues pruned to eliminate duplicates Z: 8 3.129 1.489 0.131 0.290 0.714 0.286 C 1.243 Z: 10 13.537 1.604 0.678 0.876 0.889 0.556 CA 1.371 10 residues pruned to eliminate duplicates Z: 7 5.760 1.641 0.431 0.838 1.000 1.000 CB 0.749 6 residues pruned to eliminate duplicates Z: 11 9.023 1.685 0.279 0.876 1.000 0.900 CB 0.962 11 residues pruned to eliminate duplicates Z: 6 5.482 1.637 0.063 0.726 1.000 1.000 CA 1.149 6 residues pruned to eliminate duplicates Z: 41 11.609 1.814 0.301 0.346 0.825 0.525 CB 1.115 45 residues pruned to eliminate duplicates Z: 8 2.825 1.610 0.331 0.346 0.571 0.286 CB 1.030 Z: 6 2.360 1.409 0.696 0.279 0.600 0.600 N 0.945 6 residues pruned to eliminate duplicates Z: 11 6.703 1.607 0.476 0.766 0.700 0.500 CB 1.008 10 residues pruned to eliminate duplicates Z: 15 26.279 1.946 0.850 0.901 1.000 0.571 CB 1.392 16 residues pruned to eliminate duplicates Z: 6 5.131 1.532 0.212 0.770 0.800 0.600 CB 1.216 Z: 12 12.070 1.684 0.243 0.915 1.000 0.818 CB 1.229 12 residues pruned to eliminate duplicates Z: 15 14.825 2.014 0.483 0.484 0.857 0.571 CA 1.573 15 residues pruned to eliminate duplicates Z: 26 17.106 1.942 0.403 0.528 0.840 0.560 CA 1.455 26 residues pruned to eliminate duplicates Z: 17 25.837 1.873 0.798 0.868 1.000 0.750 CA 1.402 17 residues pruned to eliminate duplicates Z: 13 14.792 1.700 0.617 0.874 1.000 0.833 CB 1.131 13 residues pruned to eliminate duplicates Z: 13 6.571 1.526 0.289 0.525 0.833 0.417 CB 1.129 7 residues pruned to eliminate duplicates Z: 16 8.134 1.851 0.450 0.353 0.867 0.467 CB 1.059 16 residues pruned to eliminate duplicates Z: 14 12.047 1.837 0.309 0.885 1.000 0.846 CB 1.003 14 residues pruned to eliminate duplicates Z: 9 4.337 1.581 0.112 0.432 0.875 0.750 CB 1.069 Z: 9 3.941 1.590 0.663 0.317 0.750 0.375 CB 0.860 9 residues pruned to eliminate duplicates Z: 11 8.715 1.675 0.218 0.819 0.900 0.800 CB 1.137 12 residues pruned to eliminate duplicates Z: 7 6.039 1.666 0.536 0.497 1.000 0.500 CB 0.966 6 residues pruned to eliminate duplicates Z: 13 12.321 1.707 0.459 0.841 0.917 0.833 CB 1.161 13 residues pruned to eliminate duplicates Z: 9 10.504 1.840 0.015 0.848 1.000 0.875 N 1.475 9 residues pruned to eliminate duplicates Z: 21 11.608 1.830 0.447 0.430 0.850 0.550 CA 1.240 21 residues pruned to eliminate duplicates Z: 6 4.433 1.471 0.236 0.393 1.000 0.400 N 1.221 Z: 16 8.678 1.812 0.361 0.485 0.933 0.600 CB 0.989 16 residues pruned to eliminate duplicates Z: 7 6.907 1.742 0.302 0.610 1.000 1.000 N 1.120 11 residues pruned to eliminate duplicates Z: 17 24.513 1.846 0.592 0.916 1.000 0.812 CB 1.473 18 residues pruned to eliminate duplicates Z: 6 4.384 1.537 0.141 0.675 1.000 0.600 CB 0.952 Z: 25 12.805 1.857 0.524 0.317 0.875 0.667 CB 1.293 30 residues pruned to eliminate duplicates Z: 8 9.824 1.658 0.368 0.684 1.000 0.714 O 1.382 8 residues pruned to eliminate duplicates Z: 18 25.270 1.765 0.804 0.929 1.000 0.647 CB 1.347 18 residues pruned to eliminate duplicates Z: 6 4.897 1.406 0.810 0.745 1.000 0.800 N 0.691 6 residues pruned to eliminate duplicates Z: 16 9.863 1.661 0.710 0.864 0.867 0.600 CB 0.758 16 residues pruned to eliminate duplicates Z: 9 10.977 1.873 0.905 0.595 0.875 0.750 CB 1.135 9 residues pruned to eliminate duplicates Z: 18 12.092 1.750 0.566 0.784 0.941 0.647 CB 0.886 18 residues pruned to eliminate duplicates Z: 10 7.818 1.654 0.082 0.714 1.000 1.000 CB 1.200 Z: 15 22.672 1.888 0.895 0.910 0.929 0.786 CB 1.293 15 residues pruned to eliminate duplicates Z: 11 7.752 1.703 0.586 0.573 0.900 0.800 CB 0.940 11 residues pruned to eliminate duplicates Z: 6 3.326 1.564 0.281 0.296 0.800 0.400 N 1.166 6 residues pruned to eliminate duplicates Z: 31 9.542 1.852 0.392 0.283 0.833 0.567 CB 1.036 31 residues pruned to eliminate duplicates Z: 9 3.808 1.495 0.302 0.359 0.750 0.625 CB 1.073 Z: 9 8.639 1.725 0.374 0.815 0.750 0.625 CB 1.307 9 residues pruned to eliminate duplicates Z: 12 17.608 1.771 0.754 0.872 1.000 0.909 CB 1.246 12 residues pruned to eliminate duplicates Z: 11 13.520 1.878 0.375 0.859 1.000 0.800 CB 1.218 11 residues pruned to eliminate duplicates Z: 31 14.814 1.853 0.415 0.426 0.867 0.533 CB 1.286 31 residues pruned to eliminate duplicates Z: 18 15.611 1.741 0.386 0.893 1.000 0.824 CA 1.127 18 residues pruned to eliminate duplicates Z: 8 3.272 1.617 0.032 0.509 1.000 0.714 CB 0.735 Z: 9 3.600 1.656 0.037 0.344 0.875 0.625 CB 1.003 Z: 7 5.130 1.649 0.048 0.486 0.833 0.667 CB 1.474 6 residues pruned to eliminate duplicates Z: 14 14.552 1.808 0.322 0.898 1.000 0.923 CB 1.208 14 residues pruned to eliminate duplicates Z: 7 3.702 1.664 0.563 0.360 0.667 0.333 CB 1.014 Z: 7 11.017 1.872 0.542 0.711 1.000 0.833 CA 1.287 9 residues pruned to eliminate duplicates Z: 13 6.449 1.531 0.226 0.643 0.917 0.417 CB 0.947 13 residues pruned to eliminate duplicates Z: 7 3.600 1.821 -0.149 0.518 0.833 0.500 CB 1.119 6 residues pruned to eliminate duplicates Z: 12 15.144 1.865 0.636 0.753 0.909 0.636 CB 1.313 12 residues pruned to eliminate duplicates Z: 16 14.079 1.708 0.414 0.858 1.000 0.800 CB 1.109 16 residues pruned to eliminate duplicates Z: 17 10.965 1.710 0.369 0.557 0.875 0.625 CB 1.266 22 residues pruned to eliminate duplicates Z: 8 6.667 1.695 0.288 0.465 1.000 0.429 CA 1.196 Z: 11 14.583 1.899 0.755 0.766 1.000 0.400 CB 1.094 11 residues pruned to eliminate duplicates Z: 9 8.456 1.870 0.243 0.764 0.875 0.625 CB 1.163 9 residues pruned to eliminate duplicates Z: 19 23.016 1.778 0.604 0.841 1.000 0.778 CB 1.418 19 residues pruned to eliminate duplicates Z: 7 10.318 1.837 0.508 0.561 1.000 0.667 CB 1.434 7 residues pruned to eliminate duplicates Z: 16 24.274 1.889 0.781 0.904 1.000 0.667 CB 1.327 16 residues pruned to eliminate duplicates Z: 8 4.854 1.413 0.621 0.775 0.857 0.429 CB 0.733 8 residues pruned to eliminate duplicates Z: 16 19.991 1.875 0.429 0.925 1.000 0.933 CB 1.351 16 residues pruned to eliminate duplicates Z: 11 11.985 1.747 0.572 0.849 0.900 0.700 CB 1.137 11 residues pruned to eliminate duplicates Z: 6 4.393 1.648 0.242 0.559 0.800 0.400 CB 1.133 Z: 9 5.340 1.699 0.430 0.451 0.750 0.250 CB 1.090 9 residues pruned to eliminate duplicates Z: 9 14.824 1.665 0.994 0.919 1.000 0.875 CB 1.112 8 residues pruned to eliminate duplicates Z: 22 21.069 1.896 0.492 0.800 1.000 0.762 CA 1.251 22 residues pruned to eliminate duplicates Z: 11 14.782 1.850 0.499 0.886 0.900 0.800 CB 1.351 11 residues pruned to eliminate duplicates Z: 18 15.689 1.883 0.713 0.757 0.824 0.471 CB 1.140 18 residues pruned to eliminate duplicates Z: 16 17.931 1.736 0.939 0.904 0.933 0.667 CB 1.050 14 residues pruned to eliminate duplicates 6 1.489 1.742 0.065 0.621 0.800 0.800 CB 0.400 ? Z: 7 11.227 1.955 0.357 0.807 1.000 0.667 CA 1.322 7 residues pruned to eliminate duplicates Z: 58 23.527 1.904 0.488 0.547 0.807 0.526 CB 1.301 61 residues pruned to eliminate duplicates Z: 13 9.678 1.534 0.863 0.468 0.833 0.667 CB 1.212 14 residues pruned to eliminate duplicates Z: 13 8.804 1.658 0.540 0.791 0.917 0.667 CB 0.841 13 residues pruned to eliminate duplicates Z: 13 3.648 1.657 0.533 0.352 0.833 0.583 CB 0.584 Z: 8 5.073 1.418 0.560 0.523 0.857 0.714 CB 0.989 Z: 12 13.791 1.742 0.368 0.853 1.000 0.818 CB 1.290 12 residues pruned to eliminate duplicates Z: 8 9.280 1.638 0.510 0.833 0.857 0.571 CA 1.242 8 residues pruned to eliminate duplicates Z: 16 7.516 1.719 0.371 0.372 0.867 0.733 CB 1.089 13 residues pruned to eliminate duplicates Z: 6 5.751 1.643 0.234 0.789 0.800 0.800 N 1.230 6 residues pruned to eliminate duplicates Z: 16 19.741 1.760 1.000 0.888 1.000 0.733 CB 1.043 17 residues pruned to eliminate duplicates Z: 6 7.613 1.672 0.356 0.648 1.000 0.400 CB 1.307 6 residues pruned to eliminate duplicates Z: 11 4.657 1.514 0.683 0.392 0.700 0.600 CB 0.925 Z: 19 12.874 1.850 0.656 0.441 0.778 0.444 CB 1.354 19 residues pruned to eliminate duplicates Z: 17 18.337 1.856 0.545 0.825 1.000 0.750 CA 1.206 17 residues pruned to eliminate duplicates Z: 9 3.366 1.554 0.164 0.453 0.875 0.500 CB 0.788 Z: 27 12.327 1.804 0.323 0.446 0.808 0.538 CB 1.325 27 residues pruned to eliminate duplicates Z: 7 2.131 1.481 0.214 0.242 0.667 0.500 CB 0.979 7 residues pruned to eliminate duplicates 9 1.538 1.433 -0.091 0.292 0.625 0.375 CB 0.843 ? Z: 6 7.383 1.671 0.343 0.828 1.000 0.800 CA 1.108 Z: 6 8.258 1.494 0.610 0.844 1.000 0.800 CA 1.142 6 residues pruned to eliminate duplicates Z: 12 8.107 1.605 0.253 0.825 0.909 0.727 CB 1.009 12 residues pruned to eliminate duplicates Z: 7 4.890 1.478 0.182 0.744 0.833 0.500 N 1.102 7 residues pruned to eliminate duplicates Z: 21 16.987 1.984 0.428 0.598 0.850 0.400 CB 1.436 21 residues pruned to eliminate duplicates Z: 9 4.452 1.516 0.474 0.493 0.750 0.500 CB 0.947 Z: 11 12.652 1.683 0.295 0.823 1.000 0.900 CA 1.387 10 residues pruned to eliminate duplicates Z: 11 14.493 1.917 0.374 0.845 1.000 0.700 CB 1.293 11 residues pruned to eliminate duplicates Z: 23 15.933 1.865 0.449 0.590 0.909 0.727 CA 1.269 23 residues pruned to eliminate duplicates Z: 7 8.832 1.481 0.595 0.716 1.000 0.667 CB 1.255 Z: 13 9.483 1.641 0.338 0.537 0.917 0.583 N 1.311 13 residues pruned to eliminate duplicates Z: 13 17.732 1.795 0.477 0.931 1.000 0.917 CB 1.349 13 residues pruned to eliminate duplicates Z: 6 2.979 1.769 0.162 0.579 0.800 0.600 CB 0.751 9 residues pruned to eliminate duplicates Z: 12 13.412 1.751 0.373 0.850 1.000 0.818 CB 1.246 12 residues pruned to eliminate duplicates Z: 6 8.992 1.591 0.744 0.759 1.000 0.600 CA 1.151 6 residues pruned to eliminate duplicates Z: 18 15.543 1.678 0.792 0.595 0.941 0.529 CA 1.216 9 residues pruned to eliminate duplicates Z: 22 10.894 1.756 0.328 0.473 0.762 0.619 CB 1.375 22 residues pruned to eliminate duplicates Z: 27 20.753 1.854 0.499 0.677 0.885 0.731 CA 1.407 27 residues pruned to eliminate duplicates Z: 11 6.731 1.441 0.664 0.390 0.900 0.600 CB 1.108 Z: 8 5.033 1.641 0.465 0.347 0.857 0.571 CB 1.089 8 residues pruned to eliminate duplicates Z: 8 2.606 1.398 0.577 0.325 0.714 0.571 CB 0.758 Z: 12 17.030 1.812 0.757 0.896 1.000 0.818 CB 1.156 12 residues pruned to eliminate duplicates Z: 8 13.174 1.700 0.847 0.872 1.000 0.857 CB 1.155 8 residues pruned to eliminate duplicates Z: 7 3.549 1.652 0.085 0.639 0.667 0.667 CB 1.065 7 residues pruned to eliminate duplicates 6 1.965 1.322 0.370 0.430 0.800 0.400 CB 0.653 ? Z: 9 8.206 1.696 0.671 0.428 0.875 0.750 CA 1.260 9 residues pruned to eliminate duplicates Z: 7 6.356 1.645 0.256 0.649 0.833 0.667 CB 1.312 7 residues pruned to eliminate duplicates Z: 13 22.158 1.927 0.508 0.918 1.000 0.833 CB 1.552 13 residues pruned to eliminate duplicates Z: 9 13.535 1.794 0.403 0.835 1.000 0.875 CB 1.423 9 residues pruned to eliminate duplicates Z: 20 12.599 1.727 0.566 0.682 0.789 0.684 CB 1.145 20 residues pruned to eliminate duplicates Z: 6 9.896 1.936 0.598 0.785 1.000 0.800 CB 1.113 6 residues pruned to eliminate duplicates Z: 9 7.078 1.844 0.483 0.434 0.750 0.625 CB 1.306 10 residues pruned to eliminate duplicates Z: 9 17.017 1.871 0.763 0.838 1.000 0.625 CB 1.363 9 residues pruned to eliminate duplicates Z: 26 9.025 1.654 0.454 0.483 0.880 0.520 CB 0.868 26 residues pruned to eliminate duplicates Z: 15 10.471 1.959 0.278 0.478 0.857 0.571 CA 1.334 15 residues pruned to eliminate duplicates Z: 6 2.412 1.599 0.617 0.544 0.800 0.600 CB 0.499 Z: 6 3.105 1.570 -0.023 0.596 1.000 1.000 CB 0.826 6 residues pruned to eliminate duplicates Z: 13 14.581 1.720 0.546 0.875 1.000 0.750 CB 1.152 13 residues pruned to eliminate duplicates Z: 24 20.495 1.815 0.644 0.586 0.957 0.652 N 1.378 24 residues pruned to eliminate duplicates Z: 7 6.628 1.405 0.345 0.839 1.000 0.333 CA 1.070 6 residues pruned to eliminate duplicates Z: 7 5.780 1.697 0.248 0.527 0.833 0.667 CB 1.301 7 residues pruned to eliminate duplicates Z: 8 11.954 1.825 0.382 0.856 1.000 0.857 CB 1.321 8 residues pruned to eliminate duplicates 6 1.938 1.331 -0.010 0.295 1.000 0.800 CA 0.827 ? Z: 9 4.240 1.641 -0.149 0.501 0.875 0.625 CB 1.226 9 residues pruned to eliminate duplicates Z: 8 5.113 1.560 0.262 0.427 0.857 0.429 N 1.235 Z: 11 14.118 1.798 0.196 0.904 1.000 0.900 CB 1.478 11 residues pruned to eliminate duplicates Z: 12 13.008 1.712 0.408 0.875 1.000 0.818 CA 1.183 12 residues pruned to eliminate duplicates Z: 12 5.973 1.772 0.122 0.416 0.727 0.455 CB 1.360 12 residues pruned to eliminate duplicates Z: 15 8.365 1.816 0.328 0.436 0.786 0.571 CB 1.260 15 residues pruned to eliminate duplicates Z: 19 9.630 1.743 0.464 0.589 0.778 0.444 CB 1.050 19 residues pruned to eliminate duplicates Z: 10 11.149 1.751 0.317 0.807 1.000 0.778 CB 1.233 10 residues pruned to eliminate duplicates Z: 6 5.557 1.662 0.254 0.579 1.000 0.800 CB 1.104 6 residues pruned to eliminate duplicates Z: 9 4.581 1.636 0.450 0.315 0.625 0.500 CB 1.340 9 residues pruned to eliminate duplicates Z: 15 18.808 1.921 0.533 0.860 0.929 0.929 CA 1.351 15 residues pruned to eliminate duplicates Z: 7 2.503 1.477 0.737 0.246 0.500 0.333 CB 1.068 Z: 9 5.492 1.632 0.748 0.597 0.875 0.625 CB 0.709 9 residues pruned to eliminate duplicates Z: 8 2.534 1.387 0.373 0.352 0.857 0.571 CB 0.688 Z: 7 6.417 1.622 0.427 0.708 1.000 0.833 CB 0.937 5 residues pruned to eliminate duplicates Z: 17 21.033 1.779 0.757 0.694 1.000 0.750 CA 1.408 17 residues pruned to eliminate duplicates Z: 6 4.373 1.263 1.265 0.877 0.800 0.400 CB 0.621 Z: 9 4.079 1.601 0.068 0.425 0.875 0.625 CB 1.042 9 residues pruned to eliminate duplicates Z: 16 19.559 1.858 0.704 0.840 0.933 0.733 CB 1.275 16 residues pruned to eliminate duplicates Z: 6 4.772 1.420 0.732 0.418 0.800 0.400 O 1.182 Z: 6 2.316 1.441 0.045 0.532 0.800 0.600 CB 0.833 Z: 8 3.065 1.551 -0.092 0.652 0.857 0.714 CB 0.833 8 residues pruned to eliminate duplicates Z: 13 8.804 1.572 0.847 0.689 0.917 0.417 CB 0.803 13 residues pruned to eliminate duplicates Z: 14 13.072 1.768 0.842 0.769 0.846 0.615 CB 1.037 14 residues pruned to eliminate duplicates Z: 17 16.086 1.768 0.654 0.868 1.000 0.875 CB 1.005 17 residues pruned to eliminate duplicates Z: 9 2.433 1.446 0.008 0.312 0.750 0.625 CB 0.969 Z: 7 3.186 1.417 0.347 0.687 1.000 0.833 CB 0.574 Z: 9 4.119 1.624 0.172 0.338 0.750 0.500 CB 1.217 Z: 11 9.399 1.715 0.997 0.683 0.800 0.500 CB 0.917 11 residues pruned to eliminate duplicates Z: 6 2.804 1.607 0.361 0.402 0.800 0.600 CB 0.794 Z: 31 15.308 1.905 0.594 0.432 0.833 0.533 CB 1.185 31 residues pruned to eliminate duplicates Z: 13 13.844 1.835 0.223 0.862 1.000 0.833 CB 1.307 13 residues pruned to eliminate duplicates Z: 9 6.419 1.485 0.585 0.373 1.000 0.875 CA 1.104 9 residues pruned to eliminate duplicates Z: 12 18.536 1.678 0.832 0.869 1.000 0.818 CA 1.328 12 residues pruned to eliminate duplicates Z: 18 18.136 1.695 0.620 0.871 0.882 0.824 CA 1.324 18 residues pruned to eliminate duplicates Z: 13 13.604 1.685 0.564 0.747 0.917 0.750 CB 1.304 13 residues pruned to eliminate duplicates Z: 11 7.360 1.784 0.337 0.443 0.800 0.400 CA 1.294 11 residues pruned to eliminate duplicates Z: 7 7.154 1.499 0.395 0.844 1.000 0.833 CA 1.039 Z: 8 4.255 1.253 0.514 0.454 0.857 0.571 CA 1.037 Z: 9 10.104 1.766 0.325 0.849 1.000 0.875 CB 1.132 9 residues pruned to eliminate duplicates Z: 10 14.187 1.925 0.410 0.877 1.000 0.667 CB 1.266 10 residues pruned to eliminate duplicates Z: 12 9.860 1.749 0.382 0.858 1.000 0.727 CB 0.906 12 residues pruned to eliminate duplicates Z: 6 4.161 1.593 0.007 0.459 1.000 0.800 N 1.210 Z: 16 20.315 1.828 0.820 0.924 0.933 0.867 CA 1.187 16 residues pruned to eliminate duplicates Z: 19 12.699 1.767 0.639 0.504 0.833 0.667 CB 1.236 19 residues pruned to eliminate duplicates Z: 18 11.142 1.675 0.374 0.574 0.941 0.647 CB 1.162 18 residues pruned to eliminate duplicates Z: 9 11.081 1.615 0.622 0.911 1.000 1.000 CA 1.060 9 residues pruned to eliminate duplicates 8 1.948 1.375 0.199 0.341 0.571 0.571 CB 0.929 ? Z: 18 13.732 1.700 0.231 0.727 0.882 0.765 CA 1.469 18 residues pruned to eliminate duplicates Z: 13 10.604 1.732 0.336 0.828 0.917 0.667 CB 1.087 13 residues pruned to eliminate duplicates Z: 6 2.257 1.403 0.503 0.421 0.600 0.400 N 0.866 5 residues pruned to eliminate duplicates Z: 10 11.190 1.668 0.297 0.868 1.000 0.889 CA 1.260 10 residues pruned to eliminate duplicates Z: 7 2.873 1.644 0.559 0.243 0.500 0.333 N 1.232 Z: 10 9.252 1.865 0.049 0.871 1.000 0.778 CB 1.151 10 residues pruned to eliminate duplicates Z: 10 6.182 1.592 0.399 0.517 0.778 0.778 CB 1.170 8 residues pruned to eliminate duplicates Z: 16 11.925 1.799 0.215 0.913 0.933 0.867 CA 1.068 16 residues pruned to eliminate duplicates Z: 11 6.464 1.735 0.345 0.690 0.800 0.700 CB 0.921 11 residues pruned to eliminate duplicates Z: 10 5.398 1.751 -0.049 0.462 0.889 0.333 CB 1.263 Z: 7 5.199 1.462 0.417 0.651 0.833 0.833 N 1.068 Z: 10 6.728 1.732 0.457 0.378 0.778 0.667 CB 1.302 20 residues pruned to eliminate duplicates 6 1.494 1.428 0.155 0.312 0.800 0.200 CB 0.624 ? Z: 7 4.893 1.718 0.056 0.882 1.000 1.000 CB 0.797 7 residues pruned to eliminate duplicates Z: 6 3.191 1.417 0.603 0.473 0.600 0.400 CA 1.076 Z: 11 3.883 1.595 0.470 0.468 0.800 0.500 CB 0.676 Z: 13 14.624 1.901 0.336 0.914 1.000 0.917 CB 1.176 13 residues pruned to eliminate duplicates Z: 14 10.958 1.583 0.689 0.446 0.923 0.769 CB 1.303 14 residues pruned to eliminate duplicates Z: 7 2.461 1.415 0.190 0.267 0.833 0.500 CB 0.933 Z: 7 3.888 1.812 0.396 0.335 0.833 0.500 CB 0.902 Z: 7 6.467 1.890 0.144 0.628 0.833 0.833 CB 1.299 6 residues pruned to eliminate duplicates Z: 8 3.822 1.367 0.469 0.331 0.857 0.571 CA 1.010 Z: 17 5.430 1.437 0.589 0.442 0.875 0.625 CB 0.721 Z: 7 3.911 1.313 0.485 0.346 1.000 0.667 N 0.968 Z: 6 2.955 1.440 0.517 0.300 1.000 0.400 CB 0.756 Z: 12 9.499 1.775 0.136 0.738 0.909 0.636 CB 1.262 12 residues pruned to eliminate duplicates Z: 6 2.779 1.419 0.429 0.479 0.800 0.600 C 0.783 Z: 6 7.828 1.532 0.521 0.858 1.000 0.800 CB 1.107 6 residues pruned to eliminate duplicates Z: 9 5.407 1.641 0.597 0.278 0.750 0.500 CB 1.251 13 residues pruned to eliminate duplicates Z: 12 7.110 1.543 0.625 0.410 0.818 0.455 CA 1.149 12 residues pruned to eliminate duplicates Z: 8 3.142 1.643 0.164 0.313 0.714 0.286 CB 1.069 Z: 7 4.742 1.603 0.039 0.646 1.000 0.500 CB 1.014 7 residues pruned to eliminate duplicates Z: 18 15.326 1.811 0.225 0.748 0.941 0.765 CA 1.427 18 residues pruned to eliminate duplicates Z: 6 2.954 1.493 0.163 0.658 0.800 0.600 CB 0.821 Z: 16 9.983 1.692 0.462 0.493 0.867 0.400 CB 1.211 15 residues pruned to eliminate duplicates Z: 13 5.488 1.799 0.068 0.456 0.833 0.667 CB 1.035 13 residues pruned to eliminate duplicates Z: 6 5.120 1.592 0.134 0.647 1.000 0.800 CB 1.105 Z: 8 4.047 1.232 0.281 0.514 1.000 0.571 CB 0.956 Z: 17 9.094 1.795 0.273 0.443 0.938 0.500 CB 1.125 18 residues pruned to eliminate duplicates Z: 6 3.070 1.432 0.689 0.492 0.600 0.600 CA 0.954 Z: 26 19.233 1.961 0.435 0.546 0.840 0.640 CA 1.555 26 residues pruned to eliminate duplicates Z: 13 22.178 1.840 0.711 0.878 1.000 0.750 CB 1.476 13 residues pruned to eliminate duplicates 6 1.864 1.287 0.368 0.314 0.600 0.600 CB 0.970 ? Z: 10 2.450 1.340 0.179 0.187 0.778 0.444 N 0.967 10 residues pruned to eliminate duplicates Z: 8 2.737 1.541 -0.016 0.499 0.714 0.429 CB 0.957 Z: 11 5.395 1.625 0.473 0.272 0.700 0.300 N 1.319 6 residues pruned to eliminate duplicates Z: 9 4.924 1.563 0.629 0.468 0.750 0.500 CB 0.942 Z: 14 20.889 2.058 1.001 0.621 1.000 0.538 CB 1.254 17 residues pruned to eliminate duplicates Z: 10 7.270 1.631 0.222 0.567 0.889 0.667 CB 1.282 10 residues pruned to eliminate duplicates Z: 29 15.086 1.755 0.502 0.386 0.893 0.464 N 1.368 29 residues pruned to eliminate duplicates Z: 6 5.419 1.432 0.461 0.793 1.000 0.800 CA 0.896 Z: 8 4.582 1.632 0.167 0.452 0.714 0.571 O 1.337 Z: 21 10.659 1.817 0.534 0.319 0.850 0.600 CB 1.228 19 residues pruned to eliminate duplicates Z: 10 5.775 1.534 0.456 0.627 0.667 0.444 N 1.147 9 residues pruned to eliminate duplicates Z: 17 7.537 1.598 0.262 0.396 0.812 0.562 CB 1.283 19 residues pruned to eliminate duplicates Z: 7 9.066 1.686 0.502 0.786 1.000 0.833 CA 1.137 Z: 9 4.146 1.642 0.339 0.278 0.875 0.625 CB 0.980 Z: 7 3.478 1.399 0.172 0.266 1.000 0.667 CB 1.131 Z: 11 11.444 1.781 0.444 0.725 0.900 0.600 CB 1.276 10 residues pruned to eliminate duplicates Z: 14 5.977 1.472 0.233 0.411 0.923 0.615 CB 1.086 4 residues pruned to eliminate duplicates Z: 6 6.197 1.478 0.404 0.788 1.000 0.600 N 1.037 6 residues pruned to eliminate duplicates Z: 12 8.880 1.667 0.642 0.738 1.000 0.727 CB 0.790 12 residues pruned to eliminate duplicates Z: 22 11.442 1.782 0.475 0.415 0.857 0.524 CB 1.211 22 residues pruned to eliminate duplicates Z: 7 3.844 1.268 0.469 0.477 0.833 0.500 N 1.034 Z: 7 5.396 1.511 0.693 0.598 1.000 1.000 CB 0.784 Z: 16 13.974 2.035 0.487 0.592 1.000 0.667 CB 1.091 16 residues pruned to eliminate duplicates Z: 12 19.397 1.996 0.742 0.857 1.000 0.727 CA 1.240 12 residues pruned to eliminate duplicates Z: 12 7.672 1.663 0.556 0.350 0.818 0.545 CA 1.286 8 residues pruned to eliminate duplicates Z: 13 15.559 1.705 0.764 0.888 1.000 0.500 CB 1.076 13 residues pruned to eliminate duplicates Z: 8 6.544 1.573 0.451 0.591 0.857 0.857 N 1.158 8 residues pruned to eliminate duplicates Z: 9 4.135 1.557 0.224 0.466 0.750 0.625 CA 1.058 9 residues pruned to eliminate duplicates Z: 10 11.395 1.867 0.155 0.884 1.000 0.889 CB 1.273 10 residues pruned to eliminate duplicates Z: 6 10.773 1.781 0.927 0.853 1.000 0.800 CB 1.038 6 residues pruned to eliminate duplicates 6 -1.588 1.397 1.021 0.815 1.000 0.600 CB-0.191 ? Z: 11 12.074 1.856 0.282 0.862 1.000 0.800 CA 1.179 11 residues pruned to eliminate duplicates Z: 9 4.649 1.596 0.248 0.367 0.875 0.500 CB 1.088 7 residues pruned to eliminate duplicates Z: 7 3.643 1.489 0.676 0.784 0.833 0.667 CB 0.557 8 residues pruned to eliminate duplicates 6 1.229 1.443 0.310 0.100 0.600 0.400 CB 0.808 ? Z: 6 4.210 1.550 0.277 0.681 1.000 0.800 N 0.805 Z: 12 5.320 1.380 0.584 0.257 0.909 0.455 CB 1.066 6 residues pruned to eliminate duplicates Z: 6 5.513 1.573 0.482 0.467 1.000 0.800 CB 1.093 6 residues pruned to eliminate duplicates Z: 9 4.650 1.478 0.563 0.198 0.875 0.625 N 1.166 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 7.781 1.632 0.244 0.885 1.000 1.000 CB 1.130 7 residues pruned to eliminate duplicates Z: 8 6.598 1.628 0.255 0.642 1.000 0.857 CB 1.069 8 residues pruned to eliminate duplicates Z: 6 6.612 1.712 0.386 0.496 1.000 1.000 N 1.252 6 residues pruned to eliminate duplicates Z: 9 4.635 1.679 0.313 0.399 0.750 0.500 CB 1.103 9 residues pruned to eliminate duplicates Z: 12 5.388 1.469 0.381 0.433 0.727 0.545 CB 1.181 12 residues pruned to eliminate duplicates Z: 7 6.416 1.758 0.624 0.571 0.667 0.667 CB 1.285 7 residues pruned to eliminate duplicates Z: 6 2.256 1.479 -0.043 0.408 1.000 0.200 CB 0.784 Z: 12 13.261 1.849 0.354 0.785 0.818 0.727 CB 1.518 12 residues pruned to eliminate duplicates Z: 10 11.741 1.825 0.378 0.754 0.889 0.667 CB 1.396 10 residues pruned to eliminate duplicates Z: 12 7.230 1.828 0.213 0.666 0.909 0.818 CB 0.927 12 residues pruned to eliminate duplicates Z: 13 9.838 1.727 0.623 0.672 0.917 0.833 CB 0.943 13 residues pruned to eliminate duplicates Z: 11 8.603 1.801 0.230 0.735 1.000 0.800 CB 0.994 11 residues pruned to eliminate duplicates Z: 12 7.185 1.802 0.345 0.644 0.818 0.727 CB 0.955 12 residues pruned to eliminate duplicates Z: 13 11.943 1.782 0.449 0.669 0.917 0.667 CB 1.246 13 residues pruned to eliminate duplicates Z: 10 10.976 1.962 0.310 0.845 0.889 0.667 CB 1.190 10 residues pruned to eliminate duplicates Z: 13 9.193 1.744 0.180 0.802 0.917 0.667 CB 1.081 13 residues pruned to eliminate duplicates Z: 11 11.567 1.904 0.372 0.811 0.800 0.800 CB 1.335 11 residues pruned to eliminate duplicates Z: 9 8.320 1.789 0.421 0.589 1.000 0.500 CB 1.063 9 residues pruned to eliminate duplicates Z: 6 5.047 1.635 0.381 0.456 1.000 0.600 CA 1.045 Z: 10 7.096 1.758 0.577 0.540 0.889 0.556 CB 0.922 16 residues pruned to eliminate duplicates Z: 14 7.198 1.697 0.555 0.377 0.769 0.462 CB 1.121 14 residues pruned to eliminate duplicates Z: 13 10.231 1.603 0.574 0.535 1.000 0.667 CB 1.132 10 residues pruned to eliminate duplicates Z: 9 3.587 1.208 0.605 0.430 0.875 0.500 N 0.804 Z: 6 2.157 1.982 0.168 0.182 0.800 0.400 CB 0.763 6 residues pruned to eliminate duplicates Z: 21 9.783 1.900 0.110 0.401 0.950 0.800 CB 1.212 21 residues pruned to eliminate duplicates Z: 22 10.461 1.944 0.272 0.372 0.905 0.667 CB 1.170 22 residues pruned to eliminate duplicates Z: 20 8.869 1.836 0.169 0.378 0.895 0.526 CB 1.207 20 residues pruned to eliminate duplicates Z: 40 14.883 1.782 0.471 0.394 0.897 0.462 CB 1.134 40 residues pruned to eliminate duplicates Z: 6 4.158 1.654 0.251 0.330 0.800 0.400 N 1.353 6 residues pruned to eliminate duplicates Z: 21 10.626 1.907 0.340 0.357 0.850 0.550 CB 1.275 21 residues pruned to eliminate duplicates Z: 20 10.535 1.925 0.296 0.317 0.947 0.632 CB 1.252 20 residues pruned to eliminate duplicates Z: 24 10.182 1.876 0.282 0.364 0.913 0.478 CB 1.119 24 residues pruned to eliminate duplicates Z: 20 10.658 1.969 0.379 0.330 0.895 0.579 CB 1.213 20 residues pruned to eliminate duplicates Z: 14 8.143 1.917 0.417 0.338 0.846 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 24 10.400 1.886 0.330 0.322 0.913 0.609 CB 1.152 24 residues pruned to eliminate duplicates Z: 11 4.272 1.705 0.769 0.111 0.800 0.400 CB 0.917 11 residues pruned to eliminate duplicates Z: 6 6.181 1.870 0.075 0.623 1.000 0.800 CB 1.224 6 residues pruned to eliminate duplicates Z: 7 4.766 1.712 0.184 0.482 0.833 0.500 CB 1.173 7 residues pruned to eliminate duplicates Z: 6 3.698 1.742 0.058 0.396 0.800 0.800 CB 1.251 6 residues pruned to eliminate duplicates Z: 10 4.050 1.419 0.168 0.419 0.778 0.556 CB 1.140 10 residues pruned to eliminate duplicates Z: 7 3.896 1.588 0.534 0.188 0.833 0.333 CB 1.138 7 residues pruned to eliminate duplicates Z: 10 7.989 1.799 0.331 0.809 0.778 0.667 CB 1.092 10 residues pruned to eliminate duplicates Z: 12 7.354 1.700 0.339 0.672 0.818 0.545 CB 1.016 12 residues pruned to eliminate duplicates Z: 11 10.222 1.747 0.483 0.756 0.800 0.700 CB 1.242 11 residues pruned to eliminate duplicates Z: 11 10.659 1.711 0.530 0.755 1.000 0.600 CB 1.026 11 residues pruned to eliminate duplicates Z: 11 8.754 1.624 0.489 0.839 0.800 0.500 CB 1.068 11 residues pruned to eliminate duplicates Z: 12 11.180 1.590 0.563 0.758 1.000 0.818 CB 1.078 13 residues pruned to eliminate duplicates Z: 14 10.963 1.454 0.726 0.799 0.923 0.615 CB 1.010 12 residues pruned to eliminate duplicates Z: 7 7.757 1.594 0.817 0.848 0.833 0.500 CB 0.974 7 residues pruned to eliminate duplicates Z: 8 8.274 1.766 0.246 0.810 1.000 0.714 CB 1.084 8 residues pruned to eliminate duplicates Z: 7 9.656 1.662 0.429 0.876 1.000 0.667 CB 1.206 7 residues pruned to eliminate duplicates Z: 8 9.281 1.735 0.486 0.807 1.000 0.429 CB 1.041 7 residues pruned to eliminate duplicates Z: 9 5.655 1.640 0.387 0.797 0.875 0.750 CB 0.775 9 residues pruned to eliminate duplicates Z: 6 7.085 1.938 0.431 0.505 1.000 0.800 CB 1.137 6 residues pruned to eliminate duplicates Z: 11 5.732 1.716 0.412 0.343 0.800 0.400 CB 1.110 10 residues pruned to eliminate duplicates Z: 9 8.966 1.607 0.424 0.774 1.000 0.375 CB 1.087 9 residues pruned to eliminate duplicates Z: 6 4.681 1.629 0.482 0.349 0.800 0.600 CB 1.276 6 residues pruned to eliminate duplicates Z: 13 6.180 1.677 0.336 0.269 0.833 0.417 C 1.243 7 residues pruned to eliminate duplicates Z: 16 21.421 1.881 0.576 0.718 0.933 0.800 CA 1.641 29 residues pruned to eliminate duplicates Z: 19 19.621 1.899 0.474 0.623 0.944 0.778 N 1.558 12 residues pruned to eliminate duplicates Z: 20 22.910 1.915 0.626 0.636 0.895 0.632 N 1.660 20 residues pruned to eliminate duplicates Z: 19 19.749 1.911 0.617 0.595 0.889 0.611 N 1.548 19 residues pruned to eliminate duplicates Z: 20 16.807 1.811 0.549 0.632 0.842 0.684 CB 1.442 20 residues pruned to eliminate duplicates Z: 19 21.757 1.955 0.603 0.551 0.944 0.778 N 1.648 19 residues pruned to eliminate duplicates Z: 19 21.391 1.933 0.678 0.532 0.944 0.500 CB 1.595 19 residues pruned to eliminate duplicates Z: 18 19.472 1.953 0.552 0.573 0.882 0.647 CB 1.647 18 residues pruned to eliminate duplicates Z: 19 20.501 1.915 0.588 0.643 0.889 0.500 CB 1.563 19 residues pruned to eliminate duplicates Z: 26 17.977 1.794 0.672 0.568 0.800 0.480 CB 1.403 26 residues pruned to eliminate duplicates Z: 16 24.105 1.793 0.831 0.906 1.000 0.733 CB 1.348 16 residues pruned to eliminate duplicates Z: 27 21.088 1.750 0.632 0.581 0.923 0.500 CB 1.452 27 residues pruned to eliminate duplicates Z: 14 23.215 1.893 0.825 0.924 1.000 0.615 CB 1.310 14 residues pruned to eliminate duplicates Z: 23 25.689 1.846 0.746 0.646 0.955 0.591 N 1.553 26 residues pruned to eliminate duplicates Z: 15 22.903 1.770 0.872 0.887 1.000 0.357 CB 1.332 15 residues pruned to eliminate duplicates Z: 18 21.215 1.770 0.758 0.794 0.941 0.412 CB 1.358 18 residues pruned to eliminate duplicates Z: 10 3.883 1.445 0.232 0.395 0.778 0.444 CB 1.045 10 residues pruned to eliminate duplicates Z: 7 4.581 1.685 0.123 0.490 0.833 0.333 CB 1.198 7 residues pruned to eliminate duplicates Z: 13 8.374 1.607 0.593 0.405 0.833 0.500 N 1.252 14 residues pruned to eliminate duplicates Z: 7 11.808 1.618 0.608 0.816 1.000 0.500 N 1.408 7 residues pruned to eliminate duplicates Z: 11 8.163 1.449 0.545 0.554 0.900 0.500 CB 1.215 11 residues pruned to eliminate duplicates 7 1.973 1.372 0.595 0.346 0.667 0.333 CB 0.653 ? Z: 9 4.207 1.616 0.208 0.368 0.750 0.375 CB 1.170 Z: 6 4.680 1.614 0.514 0.634 0.800 0.600 CB 0.944 6 residues pruned to eliminate duplicates Z: 6 7.731 1.614 0.392 0.780 1.000 0.600 CA 1.202 5 residues pruned to eliminate duplicates Z: 7 7.327 1.533 0.629 0.752 1.000 0.667 CB 0.957 9 residues pruned to eliminate duplicates 6 1.124 1.302 0.434 0.397 1.000 0.800 N 0.300 ? Z: 7 4.047 1.469 0.379 0.495 0.833 0.500 N 0.984 7 residues pruned to eliminate duplicates Z: 9 8.671 1.645 0.315 0.676 1.000 0.875 N 1.206 9 residues pruned to eliminate duplicates Z: 11 8.594 1.557 0.510 0.704 1.000 0.800 CB 0.960 11 residues pruned to eliminate duplicates Z: 20 13.091 1.760 0.779 0.351 0.895 0.579 CB 1.260 20 residues pruned to eliminate duplicates Z: 20 13.802 1.848 0.665 0.364 0.895 0.526 CB 1.331 19 residues pruned to eliminate duplicates 7 1.988 1.411 0.150 0.741 0.667 0.500 CB 0.605 ? Z: 10 5.151 1.559 0.300 0.599 0.889 0.444 CB 0.868 10 residues pruned to eliminate duplicates Z: 13 10.343 1.768 0.512 0.551 0.917 0.417 CB 1.159 13 residues pruned to eliminate duplicates Z: 12 8.093 1.800 0.716 0.435 0.818 0.545 CB 1.033 13 residues pruned to eliminate duplicates Z: 6 3.115 1.429 0.721 0.471 1.000 0.600 CA 0.584 6 residues pruned to eliminate duplicates Z: 7 7.810 1.894 0.225 0.570 1.000 0.167 CA 1.284 7 residues pruned to eliminate duplicates 6 1.496 1.687 0.475 0.381 0.400 0.200 CB 0.763 ? Z: 6 8.847 1.716 0.388 0.670 1.000 0.400 CA 1.420 6 residues pruned to eliminate duplicates Z: 20 12.814 1.819 0.464 0.649 0.895 0.632 CB 1.074 20 residues pruned to eliminate duplicates Z: 22 12.048 1.827 0.477 0.625 0.857 0.667 CB 1.011 22 residues pruned to eliminate duplicates Z: 23 17.628 1.826 0.572 0.717 1.000 0.682 CA 1.076 25 residues pruned to eliminate duplicates Z: 9 14.913 1.987 0.387 0.886 1.000 0.875 CB 1.380 9 residues pruned to eliminate duplicates Z: 19 10.371 1.795 0.477 0.470 0.778 0.500 CB 1.222 19 residues pruned to eliminate duplicates Z: 19 16.286 1.855 0.562 0.708 0.944 0.722 CB 1.161 18 residues pruned to eliminate duplicates Z: 11 16.032 1.956 0.541 0.894 1.000 0.800 CB 1.207 11 residues pruned to eliminate duplicates Z: 27 17.043 1.750 0.612 0.668 0.846 0.654 CB 1.199 26 residues pruned to eliminate duplicates Z: 15 17.281 1.873 0.760 0.912 0.929 0.643 CB 1.069 15 residues pruned to eliminate duplicates Z: 12 15.611 1.973 0.544 0.829 1.000 0.636 CB 1.163 12 residues pruned to eliminate duplicates Z: 13 12.894 1.817 0.489 0.648 0.833 0.500 CB 1.438 13 residues pruned to eliminate duplicates Z: 48 22.834 1.903 0.525 0.483 0.830 0.617 CB 1.408 51 residues pruned to eliminate duplicates Z: 19 12.393 1.857 0.277 0.548 0.833 0.389 CB 1.411 19 residues pruned to eliminate duplicates Z: 24 19.685 1.796 0.627 0.569 1.000 0.435 CB 1.314 24 residues pruned to eliminate duplicates Z: 26 16.280 1.795 0.683 0.528 0.840 0.480 CA 1.248 26 residues pruned to eliminate duplicates Z: 13 4.347 1.757 0.178 0.327 0.583 0.333 CB 1.256 13 residues pruned to eliminate duplicates Z: 34 18.113 1.947 0.491 0.458 0.788 0.515 CB 1.440 34 residues pruned to eliminate duplicates Z: 6 8.443 2.027 0.285 0.640 0.800 0.600 CA 1.590 Z: 6 7.082 1.762 0.588 0.454 1.000 0.400 N 1.187 Z: 15 14.990 1.958 0.486 0.492 0.857 0.571 CA 1.619 21 residues pruned to eliminate duplicates Z: 31 19.943 1.982 0.495 0.486 0.800 0.700 CB 1.559 31 residues pruned to eliminate duplicates Z: 16 14.189 1.996 0.427 0.486 0.867 0.667 CA 1.505 16 residues pruned to eliminate duplicates Z: 17 14.673 1.929 0.449 0.548 0.812 0.688 CB 1.541 23 residues pruned to eliminate duplicates Z: 30 18.598 1.925 0.524 0.498 0.897 0.621 CB 1.316 30 residues pruned to eliminate duplicates Z: 30 19.415 1.889 0.539 0.488 0.862 0.448 CB 1.456 30 residues pruned to eliminate duplicates Z: 21 16.578 1.898 0.529 0.471 0.900 0.550 CB 1.462 21 residues pruned to eliminate duplicates Z: 33 18.220 1.925 0.320 0.464 0.875 0.594 CB 1.502 33 residues pruned to eliminate duplicates Z: 27 21.329 1.941 0.687 0.470 0.885 0.500 CA 1.489 27 residues pruned to eliminate duplicates Z: 14 11.316 1.887 0.537 0.462 0.846 0.308 CB 1.329 14 residues pruned to eliminate duplicates Z: 15 5.924 1.653 0.369 0.426 0.929 0.429 CB 0.814 15 residues pruned to eliminate duplicates Z: 33 16.013 1.894 0.350 0.430 0.844 0.500 CB 1.411 33 residues pruned to eliminate duplicates Z: 32 20.647 2.027 0.462 0.437 0.903 0.645 CB 1.479 32 residues pruned to eliminate duplicates Z: 32 22.315 1.958 0.615 0.436 0.871 0.548 CA 1.554 32 residues pruned to eliminate duplicates Z: 30 19.627 1.942 0.524 0.462 0.862 0.690 CA 1.485 30 residues pruned to eliminate duplicates Z: 31 23.471 2.010 0.478 0.497 0.933 0.600 CB 1.550 31 residues pruned to eliminate duplicates Z: 29 21.871 1.997 0.600 0.435 0.929 0.643 CB 1.490 29 residues pruned to eliminate duplicates Z: 32 22.926 1.939 0.633 0.487 0.968 0.484 CB 1.362 32 residues pruned to eliminate duplicates Z: 32 21.298 1.944 0.613 0.441 0.903 0.581 CB 1.435 32 residues pruned to eliminate duplicates Z: 29 21.883 1.963 0.680 0.470 0.857 0.571 CB 1.507 29 residues pruned to eliminate duplicates Z: 31 24.867 1.997 0.595 0.521 0.967 0.600 CB 1.445 31 residues pruned to eliminate duplicates Z: 31 21.450 1.983 0.536 0.474 0.900 0.533 CA 1.466 31 residues pruned to eliminate duplicates Z: 35 20.663 1.905 0.524 0.418 0.912 0.618 CA 1.458 35 residues pruned to eliminate duplicates Z: 32 22.578 1.964 0.537 0.534 0.935 0.645 CB 1.388 32 residues pruned to eliminate duplicates Z: 29 24.403 2.010 0.599 0.512 0.929 0.607 CB 1.527 29 residues pruned to eliminate duplicates Z: 31 18.007 1.975 0.533 0.453 0.833 0.600 CB 1.367 31 residues pruned to eliminate duplicates Z: 31 22.140 1.997 0.580 0.505 0.867 0.600 CB 1.471 31 residues pruned to eliminate duplicates Z: 49 30.277 2.005 0.739 0.520 0.875 0.625 CB 1.404 46 residues pruned to eliminate duplicates Z: 16 22.693 2.046 0.814 0.684 0.933 0.533 CB 1.429 16 residues pruned to eliminate duplicates Z: 49 32.815 1.993 0.822 0.601 0.917 0.458 CB 1.292 83 residues pruned to eliminate duplicates Z: 17 22.637 2.084 0.963 0.555 0.938 0.438 CB 1.399 17 residues pruned to eliminate duplicates Z: 19 21.877 2.071 0.723 0.537 0.944 0.778 CB 1.475 19 residues pruned to eliminate duplicates Z: 16 19.155 2.076 0.741 0.582 0.933 0.333 CB 1.355 16 residues pruned to eliminate duplicates Z: 28 17.952 1.921 0.568 0.484 0.926 0.481 CB 1.259 28 residues pruned to eliminate duplicates Z: 12 22.392 2.215 0.755 0.744 0.909 0.455 CA 1.535 12 residues pruned to eliminate duplicates Z: 19 17.084 2.002 0.614 0.521 0.944 0.611 CB 1.293 19 residues pruned to eliminate duplicates Z: 25 22.457 1.956 0.724 0.569 0.917 0.583 CB 1.388 25 residues pruned to eliminate duplicates Z: 14 20.768 2.212 0.733 0.657 0.846 0.462 CB 1.535 14 residues pruned to eliminate duplicates Z: 14 14.865 2.099 0.683 0.556 0.769 0.692 CA 1.436 14 residues pruned to eliminate duplicates Z: 28 21.990 2.077 0.700 0.456 0.889 0.556 CB 1.412 28 residues pruned to eliminate duplicates Z: 51 23.872 1.983 0.586 0.520 0.840 0.460 CB 1.252 51 residues pruned to eliminate duplicates Z: 19 18.095 2.098 0.458 0.536 0.889 0.667 CB 1.514 19 residues pruned to eliminate duplicates Z: 12 9.949 2.012 0.298 0.426 0.818 0.455 CB 1.515 12 residues pruned to eliminate duplicates Z: 30 23.669 2.024 0.561 0.512 0.931 0.621 CA 1.476 30 residues pruned to eliminate duplicates Z: 30 22.864 2.056 0.575 0.476 0.897 0.690 CB 1.498 30 residues pruned to eliminate duplicates Z: 26 21.054 2.067 0.399 0.448 0.960 0.600 CB 1.600 26 residues pruned to eliminate duplicates Z: 6 5.685 1.734 0.676 0.402 0.800 0.600 CA 1.212 6 residues pruned to eliminate duplicates Z: 13 14.667 1.736 0.470 0.883 1.000 0.917 CB 1.200 13 residues pruned to eliminate duplicates Z: 12 13.349 1.840 0.342 0.845 0.909 0.545 CB 1.333 12 residues pruned to eliminate duplicates Z: 12 12.948 1.820 0.164 0.877 1.000 1.000 CB 1.337 12 residues pruned to eliminate duplicates Z: 9 16.005 1.897 0.523 0.893 1.000 1.000 CB 1.406 9 residues pruned to eliminate duplicates Z: 11 9.426 1.715 0.359 0.790 1.000 0.800 CB 0.991 11 residues pruned to eliminate duplicates Z: 12 9.346 1.686 0.319 0.706 0.909 0.636 CB 1.155 12 residues pruned to eliminate duplicates Z: 12 16.985 1.866 0.741 0.880 1.000 0.727 CB 1.142 13 residues pruned to eliminate duplicates Z: 13 15.762 1.794 0.557 0.876 1.000 0.667 CB 1.184 13 residues pruned to eliminate duplicates Z: 14 12.804 1.742 0.480 0.805 1.000 0.538 CB 1.055 14 residues pruned to eliminate duplicates Z: 14 16.949 1.721 0.632 0.858 1.000 0.538 CB 1.233 13 residues pruned to eliminate duplicates Z: 14 15.385 1.716 0.622 0.856 1.000 0.692 CB 1.131 14 residues pruned to eliminate duplicates Z: 11 12.918 1.777 0.479 0.875 1.000 0.400 CB 1.130 10 residues pruned to eliminate duplicates Z: 9 14.966 1.917 0.705 0.856 1.000 0.375 CB 1.194 10 residues pruned to eliminate duplicates Z: 9 16.068 1.951 0.681 0.887 1.000 1.000 CB 1.249 9 residues pruned to eliminate duplicates Z: 8 14.611 1.918 0.770 0.866 1.000 0.857 CB 1.190 8 residues pruned to eliminate duplicates Z: 13 10.526 1.703 0.612 0.631 0.833 0.500 CB 1.174 13 residues pruned to eliminate duplicates Z: 11 11.761 1.716 0.428 0.727 1.000 0.700 CB 1.237 11 residues pruned to eliminate duplicates Z: 14 8.816 1.737 0.277 0.630 0.846 0.615 CB 1.153 14 residues pruned to eliminate duplicates Z: 12 12.789 1.818 0.500 0.745 1.000 0.818 CB 1.135 12 residues pruned to eliminate duplicates Z: 8 3.562 1.430 0.099 0.424 0.857 0.571 CB 1.082 8 residues pruned to eliminate duplicates Z: 6 5.051 1.619 0.217 0.506 1.000 0.400 CB 1.139 6 residues pruned to eliminate duplicates Z: 6 4.687 1.457 0.205 0.609 1.000 0.400 CB 1.076 6 residues pruned to eliminate duplicates Z: 7 6.400 1.423 0.399 0.688 1.000 0.333 CA 1.104 7 residues pruned to eliminate duplicates Z: 7 7.466 1.445 0.370 0.859 1.000 0.833 CA 1.133 7 residues pruned to eliminate duplicates Z: 12 12.640 1.745 0.398 0.787 1.000 0.727 CA 1.213 12 residues pruned to eliminate duplicates Z: 13 11.516 1.781 0.513 0.696 0.917 0.750 CB 1.125 14 residues pruned to eliminate duplicates Z: 12 12.885 1.779 0.380 0.835 1.000 0.727 CB 1.186 12 residues pruned to eliminate duplicates Z: 13 9.481 1.665 0.528 0.737 0.917 0.667 CB 0.949 13 residues pruned to eliminate duplicates Z: 13 9.441 1.646 0.414 0.741 0.917 0.500 CB 1.030 13 residues pruned to eliminate duplicates Z: 12 11.145 1.741 0.579 0.789 0.818 0.636 CA 1.160 12 residues pruned to eliminate duplicates Z: 14 7.950 1.673 0.557 0.654 0.769 0.615 CB 0.953 14 residues pruned to eliminate duplicates Z: 15 8.675 1.641 0.486 0.602 0.929 0.643 CB 0.929 15 residues pruned to eliminate duplicates Z: 29 13.249 1.943 0.365 0.390 0.857 0.607 CB 1.237 29 residues pruned to eliminate duplicates Z: 29 12.230 1.886 0.308 0.373 0.893 0.571 CB 1.203 29 residues pruned to eliminate duplicates Z: 25 10.929 1.834 0.349 0.413 0.875 0.542 CA 1.128 25 residues pruned to eliminate duplicates Z: 28 12.736 1.919 0.421 0.390 0.852 0.556 CB 1.184 28 residues pruned to eliminate duplicates Z: 21 7.816 1.767 0.433 0.326 0.750 0.400 CB 1.114 21 residues pruned to eliminate duplicates Z: 37 16.161 1.830 0.490 0.427 0.917 0.667 CB 1.162 44 residues pruned to eliminate duplicates Z: 14 12.030 1.854 0.163 0.821 1.000 0.769 CB 1.171 12 residues pruned to eliminate duplicates Z: 11 12.132 1.842 0.123 0.857 1.000 0.900 CB 1.367 11 residues pruned to eliminate duplicates Z: 39 17.594 1.920 0.393 0.505 0.842 0.711 CB 1.261 39 residues pruned to eliminate duplicates Z: 16 7.814 1.707 0.498 0.405 0.733 0.467 CB 1.188 16 residues pruned to eliminate duplicates Z: 42 16.133 1.926 0.364 0.475 0.829 0.634 CB 1.187 42 residues pruned to eliminate duplicates Z: 13 14.652 1.881 0.405 0.853 1.000 0.833 CB 1.183 13 residues pruned to eliminate duplicates Z: 39 17.437 1.884 0.468 0.506 0.868 0.684 CB 1.170 39 residues pruned to eliminate duplicates Z: 15 12.293 1.717 0.662 0.856 0.857 0.643 CB 0.990 15 residues pruned to eliminate duplicates Z: 39 15.179 1.860 0.348 0.467 0.921 0.553 CB 1.103 38 residues pruned to eliminate duplicates Z: 12 20.137 1.879 0.899 0.831 1.000 0.636 CB 1.279 13 residues pruned to eliminate duplicates Z: 14 13.283 1.674 0.705 0.793 0.846 0.462 CB 1.180 14 residues pruned to eliminate duplicates Z: 12 21.611 1.929 0.876 0.866 1.000 0.545 CB 1.318 12 residues pruned to eliminate duplicates Z: 14 14.669 1.724 0.916 0.817 0.923 0.615 CB 1.014 14 residues pruned to eliminate duplicates Z: 11 13.338 1.740 0.410 0.842 0.900 0.700 CB 1.424 9 residues pruned to eliminate duplicates Z: 10 10.901 1.663 0.476 0.842 0.889 0.889 CB 1.242 10 residues pruned to eliminate duplicates Z: 13 9.024 1.663 0.220 0.694 0.917 0.750 CB 1.172 13 residues pruned to eliminate duplicates Z: 7 4.963 1.626 0.477 0.707 0.667 0.667 N 1.049 7 residues pruned to eliminate duplicates Z: 10 7.585 1.774 0.211 0.630 0.778 0.667 N 1.338 10 residues pruned to eliminate duplicates Z: 12 11.806 1.700 0.475 0.704 1.000 0.545 N 1.180 12 residues pruned to eliminate duplicates Z: 12 10.564 1.699 0.386 0.726 1.000 0.455 CB 1.104 12 residues pruned to eliminate duplicates Z: 9 15.579 1.906 0.373 0.877 1.000 1.000 CB 1.528 9 residues pruned to eliminate duplicates Z: 13 13.268 1.723 0.495 0.768 0.917 0.750 CB 1.279 12 residues pruned to eliminate duplicates Z: 10 11.985 1.789 0.125 0.861 1.000 1.000 CA 1.459 10 residues pruned to eliminate duplicates Z: 11 8.727 1.709 0.531 0.611 0.900 0.700 N 1.055 11 residues pruned to eliminate duplicates Z: 8 11.708 1.899 0.822 0.814 0.714 0.714 N 1.363 8 residues pruned to eliminate duplicates Z: 9 12.458 1.838 0.689 0.671 1.000 0.625 CB 1.211 10 residues pruned to eliminate duplicates Z: 19 17.292 1.580 0.638 0.867 0.944 0.611 CB 1.220 19 residues pruned to eliminate duplicates Z: 17 19.182 1.831 0.690 0.833 0.938 0.562 CB 1.240 17 residues pruned to eliminate duplicates Z: 16 13.038 1.690 0.715 0.556 0.933 0.667 CB 1.179 16 residues pruned to eliminate duplicates Z: 16 22.004 1.877 0.878 0.864 0.933 0.667 CB 1.266 16 residues pruned to eliminate duplicates Z: 16 14.125 1.800 0.696 0.860 0.733 0.600 CB 1.198 16 residues pruned to eliminate duplicates Z: 17 19.621 1.796 0.838 0.879 0.875 0.562 CB 1.232 17 residues pruned to eliminate duplicates Z: 16 21.828 1.858 0.938 0.839 0.933 0.667 CB 1.253 15 residues pruned to eliminate duplicates Z: 15 25.567 1.835 1.144 0.881 1.000 0.929 CB 1.258 16 residues pruned to eliminate duplicates Z: 8 14.024 1.741 1.351 0.745 0.857 0.714 CB 1.214 7 residues pruned to eliminate duplicates Z: 8 14.880 1.775 1.029 0.851 1.000 0.714 CB 1.156 8 residues pruned to eliminate duplicates Z: 11 18.515 1.735 1.037 0.909 1.000 0.800 CB 1.176 11 residues pruned to eliminate duplicates Z: 16 8.087 1.666 0.698 0.441 0.800 0.400 CB 0.981 15 residues pruned to eliminate duplicates Z: 6 4.393 1.397 0.469 0.316 1.000 0.600 O 1.173 6 residues pruned to eliminate duplicates Z: 12 8.129 1.635 0.489 0.568 0.818 0.455 CB 1.152 7 residues pruned to eliminate duplicates Z: 8 6.239 1.450 0.293 0.808 1.000 0.714 CB 0.961 8 residues pruned to eliminate duplicates Z: 6 6.752 1.634 0.341 0.822 1.000 1.000 CB 1.043 7 residues pruned to eliminate duplicates Z: 6 5.944 1.968 0.119 0.466 1.000 0.800 CB 1.249 6 residues pruned to eliminate duplicates Z: 22 25.908 2.078 0.367 0.712 1.000 0.810 CB 1.642 7 residues pruned to eliminate duplicates Z: 18 24.162 2.054 0.586 0.733 0.941 0.647 CA 1.551 18 residues pruned to eliminate duplicates Z: 18 23.245 2.018 0.550 0.833 0.882 0.765 CA 1.532 18 residues pruned to eliminate duplicates Z: 23 24.209 2.024 0.617 0.666 0.909 0.727 CB 1.487 25 residues pruned to eliminate duplicates Z: 17 31.001 2.101 0.887 0.794 0.938 0.750 CA 1.611 17 residues pruned to eliminate duplicates Z: 19 23.214 1.990 0.551 0.796 0.889 0.833 CA 1.539 19 residues pruned to eliminate duplicates Z: 22 32.519 2.098 0.798 0.748 0.952 0.810 CB 1.582 21 residues pruned to eliminate duplicates Z: 18 30.875 2.024 0.738 0.847 0.941 0.706 CA 1.679 18 residues pruned to eliminate duplicates Z: 18 26.618 1.989 0.831 0.844 0.941 0.824 CA 1.401 18 residues pruned to eliminate duplicates Z: 22 29.189 2.091 0.638 0.749 0.952 0.762 CB 1.563 22 residues pruned to eliminate duplicates Z: 23 26.837 2.059 0.819 0.663 0.955 0.636 CB 1.376 23 residues pruned to eliminate duplicates Z: 20 32.050 2.108 0.791 0.745 1.000 0.737 CB 1.564 21 residues pruned to eliminate duplicates Z: 18 30.856 2.042 0.749 0.834 1.000 0.765 CA 1.571 16 residues pruned to eliminate duplicates Z: 18 30.512 2.044 0.955 0.805 0.882 0.588 CA 1.608 18 residues pruned to eliminate duplicates Z: 22 31.185 2.056 0.855 0.695 1.000 0.524 CB 1.494 22 residues pruned to eliminate duplicates Z: 22 28.773 2.064 0.747 0.733 1.000 0.619 CB 1.413 22 residues pruned to eliminate duplicates Z: 21 32.720 2.100 0.770 0.753 1.000 0.700 CB 1.571 21 residues pruned to eliminate duplicates Z: 13 16.328 1.941 0.484 0.744 1.000 0.750 CB 1.316 13 residues pruned to eliminate duplicates Z: 11 18.936 2.021 0.593 0.805 1.000 0.600 CA 1.425 11 residues pruned to eliminate duplicates Z: 12 17.959 1.978 0.661 0.786 1.000 0.727 CB 1.281 12 residues pruned to eliminate duplicates Z: 10 20.037 2.018 0.813 0.806 1.000 0.667 CA 1.398 10 residues pruned to eliminate duplicates Z: 19 16.986 1.846 0.570 0.721 0.889 0.611 CB 1.273 19 residues pruned to eliminate duplicates Z: 15 20.284 1.868 0.826 0.834 1.000 0.571 CB 1.192 15 residues pruned to eliminate duplicates Z: 16 18.553 1.818 0.826 0.719 1.000 0.467 CB 1.184 11 residues pruned to eliminate duplicates Z: 12 22.188 1.910 1.019 0.920 0.909 0.364 CB 1.344 12 residues pruned to eliminate duplicates Z: 18 16.786 1.768 0.870 0.725 0.824 0.353 CB 1.221 18 residues pruned to eliminate duplicates Z: 17 23.158 1.839 1.064 0.865 0.938 0.438 CB 1.192 17 residues pruned to eliminate duplicates Z: 16 23.742 1.874 0.975 0.861 0.933 0.667 N 1.304 16 residues pruned to eliminate duplicates Z: 15 17.767 1.774 0.956 0.828 0.857 0.571 CB 1.203 15 residues pruned to eliminate duplicates Z: 16 24.844 1.827 1.151 0.872 0.933 0.467 CB 1.275 16 residues pruned to eliminate duplicates Z: 17 21.222 1.886 0.905 0.797 0.938 0.625 CB 1.215 17 residues pruned to eliminate duplicates Z: 17 16.593 1.819 0.397 0.922 0.938 0.875 CA 1.225 17 residues pruned to eliminate duplicates Z: 17 21.803 1.837 0.565 0.862 1.000 0.875 CB 1.392 17 residues pruned to eliminate duplicates Z: 18 19.226 1.804 0.562 0.819 0.882 0.647 CB 1.421 18 residues pruned to eliminate duplicates Z: 17 25.608 1.905 0.783 0.902 0.938 0.688 CB 1.434 17 residues pruned to eliminate duplicates Z: 17 25.014 1.924 0.790 0.855 0.938 0.562 CB 1.430 17 residues pruned to eliminate duplicates Z: 16 29.575 1.912 0.842 0.934 1.000 0.600 CB 1.512 16 residues pruned to eliminate duplicates Z: 17 23.973 1.841 0.838 0.884 0.938 0.688 CB 1.364 17 residues pruned to eliminate duplicates Z: 18 22.467 1.876 0.683 0.812 0.882 0.706 CB 1.491 18 residues pruned to eliminate duplicates Z: 17 26.359 1.954 0.693 0.877 0.938 0.750 CB 1.543 17 residues pruned to eliminate duplicates Z: 17 23.279 1.902 0.643 0.860 0.938 0.812 CB 1.461 17 residues pruned to eliminate duplicates Z: 16 26.906 1.910 0.825 0.881 1.000 0.733 CB 1.443 16 residues pruned to eliminate duplicates Z: 17 27.509 1.938 0.798 0.871 0.938 0.750 CB 1.537 17 residues pruned to eliminate duplicates Z: 19 21.550 1.734 0.825 0.755 0.944 0.500 N 1.355 19 residues pruned to eliminate duplicates Z: 17 24.976 1.902 0.724 0.855 0.938 0.625 CB 1.499 17 residues pruned to eliminate duplicates Z: 21 17.733 1.726 0.591 0.701 0.900 0.700 CB 1.336 21 residues pruned to eliminate duplicates Z: 19 10.126 1.744 0.293 0.469 0.833 0.389 CB 1.310 19 residues pruned to eliminate duplicates Z: 6 5.290 1.821 0.077 0.729 0.800 0.600 N 1.227 6 1.763 1.225 0.020 0.346 0.800 0.800 N 0.932 ? Z: 18 16.178 1.848 0.586 0.784 0.824 0.824 CA 1.267 16 residues pruned to eliminate duplicates Z: 16 14.945 1.876 0.383 0.777 0.933 0.600 CA 1.248 16 residues pruned to eliminate duplicates Z: 24 9.882 1.487 0.695 0.326 0.826 0.304 CB 1.197 19 residues pruned to eliminate duplicates Z: 15 15.751 1.788 0.347 0.912 1.000 0.929 CA 1.238 15 residues pruned to eliminate duplicates Z: 22 17.630 1.849 0.444 0.728 0.857 0.714 CB 1.369 22 residues pruned to eliminate duplicates Z: 14 21.804 2.017 0.745 0.840 0.923 0.846 CA 1.389 15 residues pruned to eliminate duplicates Z: 14 16.807 1.878 0.823 0.795 0.923 0.615 CA 1.139 14 residues pruned to eliminate duplicates Z: 19 20.084 1.958 0.616 0.693 0.944 0.611 CB 1.329 12 residues pruned to eliminate duplicates Z: 15 17.891 1.912 0.689 0.824 0.929 0.786 CA 1.205 15 residues pruned to eliminate duplicates Z: 11 17.289 1.969 0.876 0.802 0.800 0.500 CA 1.422 11 residues pruned to eliminate duplicates Z: 16 16.025 1.934 0.734 0.647 0.867 0.467 CB 1.241 16 residues pruned to eliminate duplicates Z: 18 19.980 1.914 0.868 0.696 0.882 0.765 CB 1.284 18 residues pruned to eliminate duplicates Z: 14 16.242 1.816 0.952 0.723 0.923 0.615 CB 1.126 14 residues pruned to eliminate duplicates Z: 20 14.148 1.861 0.567 0.659 0.789 0.632 CB 1.217 20 residues pruned to eliminate duplicates Z: 16 17.119 1.963 0.633 0.663 0.867 0.600 CB 1.368 16 residues pruned to eliminate duplicates Z: 23 15.225 1.892 0.545 0.649 0.864 0.455 CB 1.119 23 residues pruned to eliminate duplicates Z: 20 15.292 1.916 0.542 0.623 0.842 0.474 CB 1.255 20 residues pruned to eliminate duplicates Z: 21 18.978 1.928 0.597 0.701 0.950 0.550 CB 1.207 21 residues pruned to eliminate duplicates Z: 10 4.443 1.810 0.441 0.387 0.667 0.333 CB 0.961 10 residues pruned to eliminate duplicates Z: 19 17.796 1.951 0.813 0.659 0.833 0.389 CB 1.228 19 residues pruned to eliminate duplicates Z: 9 4.755 1.725 0.534 0.422 1.000 0.625 CB 0.689 7 residues pruned to eliminate duplicates Z: 7 2.667 1.383 0.561 0.308 0.833 0.500 CB 0.749 7 residues pruned to eliminate duplicates Z: 24 12.731 1.789 0.574 0.551 0.913 0.522 CB 0.982 24 residues pruned to eliminate duplicates Z: 10 4.459 1.486 0.333 0.424 0.778 0.333 CB 1.044 10 residues pruned to eliminate duplicates 6 1.864 1.618 0.382 0.132 0.600 0.400 CB 0.982 ? Z: 10 5.011 1.614 0.176 0.480 0.889 0.444 CB 1.010 9 residues pruned to eliminate duplicates Z: 8 13.299 1.881 0.565 0.833 1.000 0.571 CB 1.281 8 residues pruned to eliminate duplicates Z: 10 9.591 1.700 0.515 0.675 1.000 0.667 CB 1.056 10 residues pruned to eliminate duplicates Z: 10 7.900 1.728 0.525 0.628 0.889 0.444 CB 0.996 9 residues pruned to eliminate duplicates Z: 8 10.297 1.870 0.599 0.819 0.857 0.286 CB 1.151 8 residues pruned to eliminate duplicates Z: 10 9.935 1.716 0.529 0.686 1.000 0.667 CB 1.064 10 residues pruned to eliminate duplicates Z: 9 14.149 1.724 0.750 0.753 1.000 0.625 CB 1.323 9 residues pruned to eliminate duplicates Z: 11 8.324 1.586 0.534 0.613 1.000 0.700 CB 0.971 11 residues pruned to eliminate duplicates Z: 6 3.000 1.306 0.327 0.385 1.000 0.800 CB 0.875 Z: 6 5.430 1.350 0.903 0.645 0.800 0.400 CA 1.032 6 residues pruned to eliminate duplicates Z: 15 5.854 1.719 0.301 0.331 0.857 0.429 CB 0.982 31 residues pruned to eliminate duplicates Z: 7 2.665 1.534 0.587 0.381 0.667 0.500 CB 0.761 7 residues pruned to eliminate duplicates Z: 16 6.033 1.783 0.389 0.336 0.667 0.333 CB 1.128 16 residues pruned to eliminate duplicates Z: 20 8.205 1.720 0.195 0.410 0.895 0.368 CB 1.124 20 residues pruned to eliminate duplicates Z: 18 8.449 1.629 0.278 0.346 1.000 0.471 CB 1.163 14 residues pruned to eliminate duplicates Z: 11 10.496 1.621 0.454 0.778 0.900 0.500 CA 1.225 11 residues pruned to eliminate duplicates Z: 10 10.437 1.752 0.443 0.814 0.778 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 8 12.041 1.820 0.611 0.724 0.857 0.429 CB 1.479 8 residues pruned to eliminate duplicates Z: 10 7.966 1.572 0.218 0.760 1.000 0.444 N 1.101 10 residues pruned to eliminate duplicates Z: 7 4.211 1.593 0.671 0.633 0.500 0.333 CB 1.139 7 residues pruned to eliminate duplicates Z: 11 11.037 1.621 0.713 0.728 0.900 0.800 CB 1.137 11 residues pruned to eliminate duplicates Z: 9 13.771 1.792 0.536 0.823 1.000 0.625 CB 1.337 9 residues pruned to eliminate duplicates Z: 18 12.649 1.692 0.519 0.550 0.882 0.471 CB 1.288 18 residues pruned to eliminate duplicates Z: 18 13.682 1.743 0.434 0.564 1.000 0.588 CB 1.248 18 residues pruned to eliminate duplicates Z: 18 14.007 1.779 0.486 0.514 1.000 0.647 CB 1.267 18 residues pruned to eliminate duplicates Z: 17 7.800 1.620 0.454 0.307 0.750 0.625 CB 1.368 17 residues pruned to eliminate duplicates Z: 19 8.243 1.687 0.415 0.497 0.778 0.722 CB 1.049 19 residues pruned to eliminate duplicates Z: 17 11.722 1.772 0.312 0.548 0.938 0.812 CB 1.283 17 residues pruned to eliminate duplicates Z: 13 6.678 1.726 0.413 0.315 0.917 0.417 CB 1.058 13 residues pruned to eliminate duplicates Z: 13 6.511 1.739 0.536 0.241 0.917 0.333 CB 1.036 13 residues pruned to eliminate duplicates Z: 10 6.421 1.752 0.627 0.265 0.889 0.444 CB 1.103 10 residues pruned to eliminate duplicates Z: 14 7.077 1.781 0.507 0.245 0.846 0.462 CB 1.160 14 residues pruned to eliminate duplicates Z: 6 6.126 1.632 0.310 0.472 1.000 0.800 O 1.319 6 residues pruned to eliminate duplicates Z: 12 5.830 1.693 0.524 0.226 0.909 0.455 CB 1.032 12 residues pruned to eliminate duplicates Z: 14 6.745 1.741 0.479 0.307 0.846 0.385 CB 1.064 13 residues pruned to eliminate duplicates Z: 7 7.725 1.734 0.215 0.861 1.000 1.000 CB 1.100 6 residues pruned to eliminate duplicates Z: 7 7.864 1.754 0.512 0.862 1.000 0.667 CB 0.889 7 residues pruned to eliminate duplicates Z: 8 10.183 1.692 0.630 0.856 1.000 0.571 CB 1.029 8 residues pruned to eliminate duplicates Z: 6 8.243 1.838 0.498 0.865 1.000 0.800 CB 0.981 6 residues pruned to eliminate duplicates Z: 9 8.660 1.635 0.543 0.871 1.000 0.375 CB 0.885 9 residues pruned to eliminate duplicates Z: 7 7.179 1.732 0.444 0.830 1.000 0.500 CB 0.881 7 residues pruned to eliminate duplicates Z: 6 9.665 1.880 0.765 0.887 1.000 1.000 CB 0.939 6 residues pruned to eliminate duplicates Z: 7 8.113 1.719 0.506 0.597 1.000 0.667 CB 1.166 7 residues pruned to eliminate duplicates Z: 9 8.755 1.590 0.404 0.841 1.000 0.750 CB 1.034 9 residues pruned to eliminate duplicates Z: 8 10.336 1.635 0.534 0.859 1.000 0.714 CA 1.147 8 residues pruned to eliminate duplicates Z: 10 10.286 1.589 0.487 0.830 1.000 0.889 CA 1.091 10 residues pruned to eliminate duplicates Z: 7 7.570 1.708 0.191 0.769 1.000 0.667 CB 1.198 7 residues pruned to eliminate duplicates Z: 8 12.904 1.687 0.582 0.858 1.000 0.714 CA 1.346 9 residues pruned to eliminate duplicates Z: 8 10.517 1.675 0.344 0.854 1.000 0.714 N 1.305 8 residues pruned to eliminate duplicates Z: 7 8.939 1.745 0.503 0.785 0.833 0.833 CB 1.300 7 residues pruned to eliminate duplicates Z: 12 9.575 1.618 0.665 0.698 0.818 0.727 CA 1.094 11 residues pruned to eliminate duplicates Z: 9 14.795 1.665 0.989 0.845 1.000 0.625 CA 1.174 9 residues pruned to eliminate duplicates Z: 11 8.677 1.577 0.614 0.510 0.900 0.600 N 1.186 11 residues pruned to eliminate duplicates Z: 9 12.926 1.756 0.830 0.697 0.875 0.500 CB 1.359 9 residues pruned to eliminate duplicates Z: 13 15.174 1.722 0.719 0.701 0.917 0.750 CA 1.344 13 residues pruned to eliminate duplicates Z: 14 11.267 1.586 0.665 0.640 0.846 0.462 CA 1.226 14 residues pruned to eliminate duplicates Z: 15 10.627 1.645 0.641 0.606 0.857 0.786 CB 1.110 15 residues pruned to eliminate duplicates Z: 10 13.551 1.698 0.729 0.758 0.889 0.556 CB 1.376 11 residues pruned to eliminate duplicates Z: 11 10.729 1.710 0.719 0.550 0.900 0.800 CB 1.222 11 residues pruned to eliminate duplicates Z: 14 13.548 1.679 0.765 0.699 0.923 0.231 CB 1.146 14 residues pruned to eliminate duplicates Z: 14 14.232 1.707 0.801 0.638 0.846 0.462 CB 1.333 14 residues pruned to eliminate duplicates Z: 21 14.500 1.770 0.692 0.555 0.800 0.500 CB 1.283 27 residues pruned to eliminate duplicates Z: 21 13.073 1.758 0.622 0.520 0.750 0.550 CB 1.340 21 residues pruned to eliminate duplicates Z: 29 15.515 1.795 0.418 0.501 0.821 0.536 CB 1.401 29 residues pruned to eliminate duplicates Z: 7 8.407 1.948 0.190 0.613 0.833 0.500 CA 1.598 7 residues pruned to eliminate duplicates Z: 28 15.977 1.905 0.476 0.458 0.889 0.667 CA 1.284 28 residues pruned to eliminate duplicates Z: 27 15.551 1.934 0.286 0.487 0.885 0.615 CA 1.405 27 residues pruned to eliminate duplicates Z: 29 13.979 1.795 0.377 0.399 0.857 0.500 CB 1.387 29 residues pruned to eliminate duplicates Z: 6 7.831 2.069 0.067 0.620 0.800 0.400 CA 1.769 6 residues pruned to eliminate duplicates Z: 26 21.539 1.969 0.486 0.534 0.960 0.560 CA 1.483 26 residues pruned to eliminate duplicates Z: 11 5.030 1.841 -0.027 0.384 0.700 0.400 CB 1.435 11 residues pruned to eliminate duplicates Z: 28 15.709 1.857 0.427 0.526 0.815 0.593 CB 1.365 28 residues pruned to eliminate duplicates Z: 28 20.721 1.960 0.493 0.516 0.926 0.556 CA 1.449 28 residues pruned to eliminate duplicates Z: 26 18.356 1.946 0.364 0.536 0.920 0.640 CA 1.451 26 residues pruned to eliminate duplicates Z: 27 19.739 1.952 0.427 0.503 0.923 0.577 CB 1.501 27 residues pruned to eliminate duplicates Z: 30 16.678 1.910 0.434 0.476 0.828 0.621 CA 1.401 30 residues pruned to eliminate duplicates Z: 28 18.121 1.929 0.498 0.472 0.889 0.556 CA 1.396 28 residues pruned to eliminate duplicates Z: 27 16.138 1.949 0.392 0.468 0.808 0.500 CA 1.492 27 residues pruned to eliminate duplicates Z: 22 15.806 1.931 0.387 0.540 0.857 0.714 CA 1.445 22 residues pruned to eliminate duplicates Z: 29 18.464 1.908 0.471 0.521 0.893 0.607 CA 1.363 29 residues pruned to eliminate duplicates Z: 31 15.463 1.900 0.604 0.405 0.800 0.533 CB 1.279 31 residues pruned to eliminate duplicates Z: 22 19.141 1.939 0.531 0.537 0.952 0.619 CB 1.425 22 residues pruned to eliminate duplicates Z: 26 17.195 1.931 0.448 0.527 0.840 0.600 CB 1.426 26 residues pruned to eliminate duplicates Z: 28 18.217 1.923 0.445 0.510 0.889 0.630 CB 1.405 28 residues pruned to eliminate duplicates Z: 26 18.579 1.935 0.398 0.516 0.920 0.560 CB 1.470 26 residues pruned to eliminate duplicates Z: 26 16.321 1.917 0.438 0.477 0.840 0.560 CB 1.442 26 residues pruned to eliminate duplicates Z: 29 17.573 1.946 0.352 0.510 0.857 0.500 CB 1.459 29 residues pruned to eliminate duplicates Z: 24 15.262 1.880 0.451 0.464 0.870 0.609 CA 1.393 24 residues pruned to eliminate duplicates Z: 22 18.099 1.958 0.531 0.524 0.905 0.524 CB 1.422 22 residues pruned to eliminate duplicates Z: 23 12.913 1.907 0.390 0.431 0.818 0.545 CB 1.364 23 residues pruned to eliminate duplicates Z: 28 19.111 1.947 0.617 0.432 0.889 0.667 CA 1.410 28 residues pruned to eliminate duplicates Z: 22 18.639 1.969 0.580 0.529 0.952 0.571 CA 1.333 22 residues pruned to eliminate duplicates Z: 26 24.145 1.962 0.706 0.551 0.960 0.560 CB 1.430 26 residues pruned to eliminate duplicates Z: 16 20.447 1.941 0.821 0.604 0.867 0.467 CB 1.562 16 residues pruned to eliminate duplicates Z: 19 17.701 1.863 0.514 0.584 0.889 0.556 CB 1.535 19 residues pruned to eliminate duplicates Z: 47 25.532 1.928 0.526 0.555 0.913 0.609 CB 1.329 47 residues pruned to eliminate duplicates Z: 17 22.393 1.955 0.737 0.642 0.938 0.438 CB 1.539 17 residues pruned to eliminate duplicates Z: 90 33.003 1.919 0.479 0.502 0.899 0.640 CB 1.368 100 residues pruned to eliminate duplicates Z: 17 26.645 1.890 0.796 0.869 1.000 0.812 CB 1.433 17 residues pruned to eliminate duplicates Z: 44 24.094 1.925 0.579 0.546 0.837 0.535 CB 1.380 44 residues pruned to eliminate duplicates Z: 48 24.690 1.934 0.551 0.535 0.830 0.574 CB 1.397 48 residues pruned to eliminate duplicates Z: 16 20.779 1.948 0.909 0.619 0.800 0.667 CA 1.611 16 residues pruned to eliminate duplicates Z: 15 23.018 1.841 0.980 0.699 0.929 0.857 CB 1.516 15 residues pruned to eliminate duplicates Z: 48 24.182 1.933 0.547 0.489 0.872 0.532 CA 1.367 48 residues pruned to eliminate duplicates Z: 42 26.549 1.960 0.512 0.553 0.927 0.537 CA 1.433 42 residues pruned to eliminate duplicates Z: 19 18.660 1.950 0.763 0.716 0.889 0.667 CB 1.183 19 residues pruned to eliminate duplicates Z: 46 28.351 1.951 0.594 0.554 0.911 0.556 CB 1.415 46 residues pruned to eliminate duplicates Z: 21 21.206 1.930 0.708 0.646 0.900 0.550 CB 1.395 21 residues pruned to eliminate duplicates Z: 47 27.512 1.921 0.631 0.533 0.913 0.543 CB 1.373 47 residues pruned to eliminate duplicates Z: 101 36.945 1.956 0.593 0.544 0.890 0.600 CB 1.276 105 residues pruned to eliminate duplicates Z: 18 31.821 1.844 1.079 0.883 1.000 0.529 CA 1.456 18 residues pruned to eliminate duplicates Z: 69 28.856 1.913 0.592 0.556 0.897 0.515 CB 1.213 69 residues pruned to eliminate duplicates Z: 30 25.969 1.964 0.726 0.658 0.897 0.552 CB 1.371 30 residues pruned to eliminate duplicates Z: 31 24.986 1.991 0.496 0.651 0.967 0.700 CB 1.376 31 residues pruned to eliminate duplicates Z: 52 25.025 1.930 0.527 0.505 0.882 0.588 CB 1.341 52 residues pruned to eliminate duplicates Z: 13 10.950 1.922 0.519 0.544 0.917 0.667 CB 1.132 13 residues pruned to eliminate duplicates Z: 47 29.629 1.982 0.590 0.667 0.870 0.630 CB 1.366 47 residues pruned to eliminate duplicates Z: 55 30.276 1.958 0.627 0.538 0.889 0.611 CB 1.402 55 residues pruned to eliminate duplicates Z: 46 35.844 2.002 0.589 0.737 0.956 0.711 CA 1.422 46 residues pruned to eliminate duplicates Z: 80 34.808 1.965 0.532 0.555 0.886 0.570 CB 1.391 80 residues pruned to eliminate duplicates Z: 58 24.874 1.945 0.447 0.538 0.947 0.649 CB 1.190 58 residues pruned to eliminate duplicates Z: 49 26.855 1.960 0.562 0.544 0.917 0.729 CB 1.323 49 residues pruned to eliminate duplicates Z: 20 11.528 1.887 0.349 0.431 0.842 0.421 CA 1.326 20 residues pruned to eliminate duplicates Z: 31 18.265 1.878 0.452 0.588 0.900 0.567 CB 1.249 31 residues pruned to eliminate duplicates Z: 45 17.156 1.876 0.366 0.462 0.841 0.659 CB 1.248 45 residues pruned to eliminate duplicates Z: 64 30.786 1.932 0.644 0.589 0.857 0.603 CB 1.309 64 residues pruned to eliminate duplicates Z: 32 22.729 1.923 0.487 0.594 0.935 0.548 CB 1.395 32 residues pruned to eliminate duplicates Z: 145 41.886 1.935 0.562 0.502 0.882 0.569 CB 1.307 169 residues pruned to eliminate duplicates Z: 15 15.722 2.030 0.313 0.815 0.929 0.786 CA 1.291 15 residues pruned to eliminate duplicates Z: 87 34.895 1.946 0.625 0.535 0.907 0.616 CB 1.268 87 residues pruned to eliminate duplicates Z: 22 24.496 1.980 0.613 0.688 0.952 0.762 CA 1.479 22 residues pruned to eliminate duplicates Z: 32 26.494 1.980 0.614 0.648 0.968 0.806 CB 1.340 32 residues pruned to eliminate duplicates Z: 42 26.038 1.967 0.549 0.595 0.927 0.683 CA 1.315 42 residues pruned to eliminate duplicates Z: 23 18.366 1.992 0.386 0.661 0.909 0.864 CA 1.343 23 residues pruned to eliminate duplicates Z: 23 16.221 1.914 0.441 0.578 0.909 0.773 CB 1.279 23 residues pruned to eliminate duplicates Z: 30 24.938 2.012 0.538 0.680 0.897 0.759 CA 1.414 30 residues pruned to eliminate duplicates Z: 34 23.706 1.899 0.543 0.590 0.939 0.788 CA 1.376 34 residues pruned to eliminate duplicates Z: 21 23.164 1.977 0.661 0.742 0.950 0.700 CA 1.337 21 residues pruned to eliminate duplicates Z: 42 24.139 1.935 0.520 0.544 0.951 0.756 CA 1.291 42 residues pruned to eliminate duplicates Z: 72 37.131 1.986 0.590 0.608 0.915 0.620 CB 1.376 92 residues pruned to eliminate duplicates Z: 15 20.374 2.053 0.499 0.863 1.000 0.643 CA 1.298 15 residues pruned to eliminate duplicates Z: 42 25.880 1.919 0.658 0.529 0.927 0.756 CB 1.333 42 residues pruned to eliminate duplicates Z: 30 14.380 1.877 0.615 0.472 0.897 0.690 CB 1.011 30 residues pruned to eliminate duplicates Z: 40 22.399 1.932 0.443 0.628 0.949 0.821 CA 1.202 40 residues pruned to eliminate duplicates Z: 59 27.978 1.979 0.473 0.582 0.914 0.741 CB 1.275 59 residues pruned to eliminate duplicates Z: 54 19.548 1.905 0.447 0.492 0.868 0.698 CB 1.132 54 residues pruned to eliminate duplicates Z: 34 16.416 1.878 0.629 0.472 0.879 0.727 CB 1.094 34 residues pruned to eliminate duplicates Z: 32 17.457 1.893 0.566 0.529 0.935 0.774 CB 1.100 32 residues pruned to eliminate duplicates Z: 21 14.704 1.891 0.685 0.414 0.950 0.850 CA 1.188 21 residues pruned to eliminate duplicates Z: 22 12.513 1.808 0.650 0.409 0.905 0.571 CB 1.113 22 residues pruned to eliminate duplicates Z: 20 12.055 1.859 0.670 0.391 0.842 0.737 CB 1.187 20 residues pruned to eliminate duplicates Z: 39 20.698 1.922 0.706 0.429 0.921 0.684 CB 1.197 39 residues pruned to eliminate duplicates Z: 21 12.644 1.867 0.680 0.395 0.950 0.750 CB 1.060 21 residues pruned to eliminate duplicates Z: 21 12.325 1.843 0.697 0.418 0.900 0.600 CB 1.068 21 residues pruned to eliminate duplicates Z: 20 12.092 1.824 0.773 0.444 0.895 0.579 CB 1.015 20 residues pruned to eliminate duplicates Z: 11 4.459 1.772 0.494 0.198 0.900 0.500 CB 0.847 11 residues pruned to eliminate duplicates Z: 15 5.822 1.830 0.354 0.194 0.786 0.286 CB 1.151 15 residues pruned to eliminate duplicates Z: 16 9.354 1.823 0.856 0.325 0.733 0.533 CB 1.180 16 residues pruned to eliminate duplicates Z: 6 2.216 1.763 -0.010 0.248 0.800 0.400 CB 0.949 6 residues pruned to eliminate duplicates Z: 17 10.633 1.901 0.635 0.542 0.938 0.562 CB 0.875 17 residues pruned to eliminate duplicates Z: 13 11.162 1.919 0.460 0.641 1.000 0.583 CB 1.008 13 residues pruned to eliminate duplicates Z: 17 9.808 1.808 0.520 0.568 0.938 0.688 CB 0.892 17 residues pruned to eliminate duplicates Z: 14 11.336 1.996 0.398 0.682 0.923 0.769 CB 1.032 14 residues pruned to eliminate duplicates Z: 27 15.745 1.894 0.465 0.531 0.885 0.462 CB 1.220 27 residues pruned to eliminate duplicates Z: 58 28.471 1.979 0.721 0.513 0.860 0.561 CB 1.272 57 residues pruned to eliminate duplicates Z: 11 11.910 1.953 0.525 0.833 1.000 0.700 CB 0.948 11 residues pruned to eliminate duplicates Z: 14 14.037 1.998 0.657 0.647 1.000 0.692 CB 1.025 14 residues pruned to eliminate duplicates Z: 25 14.503 1.901 0.714 0.505 0.917 0.375 CB 0.986 25 residues pruned to eliminate duplicates Z: 61 29.682 1.972 0.731 0.496 0.900 0.550 CB 1.252 62 residues pruned to eliminate duplicates Z: 12 9.806 1.966 0.341 0.617 1.000 0.545 CB 1.004 12 residues pruned to eliminate duplicates Z: 8 4.525 1.813 0.352 0.418 0.857 0.571 CB 0.887 8 residues pruned to eliminate duplicates Z: 7 3.804 1.850 0.408 0.347 0.833 0.667 CB 0.844 7 residues pruned to eliminate duplicates Z: 9 5.291 1.743 0.174 0.408 0.875 0.750 CB 1.150 9 residues pruned to eliminate duplicates Z: 34 11.806 1.841 0.488 0.361 0.818 0.545 CB 1.065 34 residues pruned to eliminate duplicates Z: 11 6.065 1.832 0.449 0.381 0.800 0.400 CB 1.025 11 residues pruned to eliminate duplicates Z: 23 9.562 1.831 0.570 0.407 0.909 0.545 CB 0.860 23 residues pruned to eliminate duplicates Z: 13 6.731 1.771 0.622 0.363 0.833 0.417 CB 0.941 13 residues pruned to eliminate duplicates Z: 23 11.262 1.920 0.311 0.417 0.864 0.591 CB 1.204 23 residues pruned to eliminate duplicates Z: 23 11.331 1.893 0.315 0.418 0.864 0.545 CB 1.224 23 residues pruned to eliminate duplicates Z: 11 5.320 1.715 0.132 0.402 0.900 0.400 CB 1.066 11 residues pruned to eliminate duplicates Z: 15 8.950 1.737 0.551 0.361 0.929 0.500 CB 1.110 15 residues pruned to eliminate duplicates Z: 31 29.344 2.028 0.803 0.563 0.967 0.667 CB 1.425 31 residues pruned to eliminate duplicates Z: 29 23.628 1.953 0.721 0.514 0.893 0.607 CB 1.468 29 residues pruned to eliminate duplicates Z: 32 28.500 1.983 0.750 0.559 0.968 0.581 CB 1.439 32 residues pruned to eliminate duplicates Z: 30 23.488 2.032 0.546 0.543 0.931 0.690 CB 1.430 30 residues pruned to eliminate duplicates Z: 13 9.801 2.039 0.380 0.322 0.917 0.667 CB 1.334 13 residues pruned to eliminate duplicates Z: 33 24.805 1.989 0.553 0.524 0.969 0.594 CB 1.431 33 residues pruned to eliminate duplicates Z: 33 20.944 1.960 0.527 0.530 0.906 0.500 CB 1.325 33 residues pruned to eliminate duplicates Z: 32 26.225 2.011 0.691 0.543 0.935 0.581 CB 1.420 32 residues pruned to eliminate duplicates Z: 6 5.089 1.785 0.380 0.439 1.000 0.800 CA 0.984 6 residues pruned to eliminate duplicates Z: 31 24.830 2.037 0.702 0.549 0.900 0.633 CB 1.385 31 residues pruned to eliminate duplicates Z: 31 30.144 2.026 0.722 0.593 0.967 0.533 CB 1.493 31 residues pruned to eliminate duplicates Z: 31 25.360 2.039 0.685 0.558 0.933 0.700 CB 1.365 31 residues pruned to eliminate duplicates Z: 43 27.864 2.009 0.616 0.539 0.952 0.690 CB 1.339 43 residues pruned to eliminate duplicates Z: 32 25.987 2.014 0.661 0.569 0.968 0.452 CB 1.349 32 residues pruned to eliminate duplicates Z: 32 22.079 1.970 0.762 0.536 0.871 0.548 CB 1.266 32 residues pruned to eliminate duplicates Z: 32 22.208 1.991 0.814 0.561 0.806 0.581 CB 1.291 32 residues pruned to eliminate duplicates Z: 15 24.321 1.917 0.690 0.892 0.929 0.714 CA 1.552 15 residues pruned to eliminate duplicates Z: 32 24.099 2.023 0.741 0.567 0.903 0.548 CB 1.275 32 residues pruned to eliminate duplicates Z: 15 23.175 1.944 0.990 0.816 0.857 0.643 CB 1.420 15 residues pruned to eliminate duplicates Z: 32 24.525 1.981 0.824 0.561 0.839 0.581 CB 1.370 32 residues pruned to eliminate duplicates Z: 31 26.801 2.032 0.718 0.589 0.900 0.633 CB 1.430 31 residues pruned to eliminate duplicates Z: 29 27.525 1.974 0.841 0.656 0.857 0.500 CB 1.445 28 residues pruned to eliminate duplicates Z: 16 28.593 1.858 1.053 0.917 0.933 0.667 CB 1.464 16 residues pruned to eliminate duplicates Z: 32 27.245 2.044 0.699 0.582 0.935 0.645 CB 1.392 32 residues pruned to eliminate duplicates Z: 35 25.912 1.939 0.662 0.555 0.941 0.588 CB 1.388 35 residues pruned to eliminate duplicates Z: 46 31.632 2.032 0.824 0.571 0.911 0.533 CB 1.304 104 residues pruned to eliminate duplicates Z: 18 25.640 1.861 1.000 0.758 0.882 0.235 CA 1.504 18 residues pruned to eliminate duplicates Z: 33 25.329 2.013 0.747 0.557 0.938 0.500 CB 1.285 33 residues pruned to eliminate duplicates Z: 8 4.658 1.603 0.505 0.331 0.857 0.571 N 1.024 Z: 6 3.652 1.484 0.567 0.274 0.800 0.600 O 1.134 6 residues pruned to eliminate duplicates Z: 7 4.987 1.711 0.729 0.319 0.667 0.500 N 1.260 7 residues pruned to eliminate duplicates Z: 7 8.459 1.487 0.616 0.743 1.000 0.500 CA 1.155 7 residues pruned to eliminate duplicates Z: 17 14.018 1.807 0.546 0.660 0.938 0.812 CB 1.153 17 residues pruned to eliminate duplicates Z: 16 13.700 1.825 0.608 0.674 0.933 0.600 CB 1.100 19 residues pruned to eliminate duplicates Z: 12 14.495 1.788 0.484 0.785 1.000 0.818 CB 1.283 13 residues pruned to eliminate duplicates Z: 12 15.095 1.744 0.633 0.832 1.000 0.727 CB 1.199 11 residues pruned to eliminate duplicates Z: 11 11.688 1.898 0.533 0.758 0.900 0.600 CB 1.122 11 residues pruned to eliminate duplicates Z: 10 13.084 1.948 0.551 0.819 1.000 0.889 CB 1.095 10 residues pruned to eliminate duplicates Z: 13 9.648 1.710 0.504 0.628 0.917 0.333 CB 1.047 13 residues pruned to eliminate duplicates Z: 13 12.333 1.866 0.684 0.603 0.917 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 10 15.093 1.855 0.572 0.881 1.000 0.778 CB 1.249 11 residues pruned to eliminate duplicates Z: 11 15.935 1.918 0.719 0.790 1.000 0.700 CB 1.184 11 residues pruned to eliminate duplicates Z: 12 14.442 1.761 0.608 0.787 1.000 0.545 CB 1.195 11 residues pruned to eliminate duplicates Z: 17 27.476 1.899 0.843 0.892 1.000 0.688 CA 1.411 17 residues pruned to eliminate duplicates Z: 19 23.299 1.846 0.641 0.782 0.944 0.833 CA 1.497 19 residues pruned to eliminate duplicates Z: 19 24.976 1.801 0.760 0.840 0.944 0.778 N 1.468 19 residues pruned to eliminate duplicates Z: 19 25.093 1.903 0.679 0.725 1.000 0.611 CA 1.512 19 residues pruned to eliminate duplicates Z: 18 24.413 1.884 0.843 0.772 0.941 0.647 CA 1.425 18 residues pruned to eliminate duplicates Z: 18 22.040 1.863 0.654 0.841 0.941 0.588 CA 1.375 18 residues pruned to eliminate duplicates Z: 27 28.495 1.911 0.614 0.750 0.923 0.731 CA 1.571 30 residues pruned to eliminate duplicates Z: 17 32.857 1.983 0.841 0.898 1.000 0.750 CA 1.609 17 residues pruned to eliminate duplicates Z: 27 27.695 1.885 0.702 0.699 0.923 0.615 N 1.529 27 residues pruned to eliminate duplicates Z: 19 23.714 1.853 0.683 0.767 1.000 0.667 CA 1.414 19 residues pruned to eliminate duplicates Z: 19 24.661 1.837 0.848 0.810 0.944 0.667 N 1.384 19 residues pruned to eliminate duplicates Z: 20 24.561 1.731 0.938 0.762 0.947 0.789 N 1.404 20 residues pruned to eliminate duplicates Z: 21 28.120 1.873 0.982 0.770 0.900 0.700 N 1.482 21 residues pruned to eliminate duplicates Z: 17 39.230 1.983 1.110 0.904 1.000 0.562 CA 1.669 17 residues pruned to eliminate duplicates Z: 20 23.858 1.765 0.892 0.772 0.947 0.421 N 1.359 20 residues pruned to eliminate duplicates Z: 29 28.859 1.823 0.797 0.720 0.929 0.429 CB 1.470 32 residues pruned to eliminate duplicates Z: 23 19.738 1.713 0.869 0.713 0.818 0.500 CB 1.323 23 residues pruned to eliminate duplicates Z: 27 26.213 1.854 0.740 0.658 0.923 0.423 N 1.491 27 residues pruned to eliminate duplicates Z: 14 8.414 1.574 0.326 0.527 0.846 0.615 CA 1.287 14 residues pruned to eliminate duplicates Z: 13 11.492 1.724 0.469 0.556 0.917 0.667 N 1.353 13 residues pruned to eliminate duplicates Z: 17 11.771 1.695 0.755 0.486 0.875 0.688 N 1.146 17 residues pruned to eliminate duplicates Z: 7 5.941 1.562 0.904 0.464 0.667 0.500 O 1.269 Z: 32 22.338 1.823 0.436 0.666 0.968 0.710 CA 1.358 42 residues pruned to eliminate duplicates Z: 6 3.113 1.561 0.148 0.307 0.800 0.400 CA 1.203 Z: 20 22.740 1.964 0.615 0.762 0.947 0.579 CB 1.376 20 residues pruned to eliminate duplicates Z: 33 24.449 1.795 0.677 0.673 0.938 0.562 N 1.306 39 residues pruned to eliminate duplicates Z: 48 24.080 1.763 0.557 0.545 0.872 0.511 CA 1.405 48 residues pruned to eliminate duplicates Z: 10 8.837 1.915 0.608 0.450 0.778 0.667 CA 1.294 10 residues pruned to eliminate duplicates Z: 7 7.360 2.014 0.353 0.463 0.833 0.667 CA 1.374 7 residues pruned to eliminate duplicates Z: 18 20.917 2.034 0.363 0.776 0.941 0.824 CA 1.524 18 residues pruned to eliminate duplicates Z: 22 24.930 1.965 0.836 0.691 0.905 0.810 CB 1.399 22 residues pruned to eliminate duplicates Z: 30 16.296 1.828 0.435 0.575 0.897 0.690 CB 1.196 30 residues pruned to eliminate duplicates Z: 24 20.297 1.910 0.508 0.673 0.957 0.739 CB 1.310 24 residues pruned to eliminate duplicates Z: 19 21.551 2.027 0.649 0.764 0.889 0.722 CB 1.353 19 residues pruned to eliminate duplicates Z: 22 21.625 1.980 0.620 0.704 0.952 0.714 CB 1.283 22 residues pruned to eliminate duplicates Z: 20 21.085 2.019 0.629 0.682 0.947 0.579 CB 1.313 20 residues pruned to eliminate duplicates Z: 13 12.533 1.884 0.540 0.688 0.750 0.417 CB 1.400 13 residues pruned to eliminate duplicates Z: 29 23.570 1.932 0.550 0.638 0.964 0.679 CB 1.356 29 residues pruned to eliminate duplicates Z: 32 25.003 1.872 0.624 0.648 1.000 0.774 CB 1.287 30 residues pruned to eliminate duplicates Z: 21 19.734 1.895 0.432 0.762 0.950 0.750 CA 1.356 21 residues pruned to eliminate duplicates Z: 18 16.932 2.011 0.110 0.776 1.000 0.824 CA 1.442 18 residues pruned to eliminate duplicates Z: 30 22.046 1.901 0.408 0.648 0.966 0.655 CB 1.380 30 residues pruned to eliminate duplicates Z: 23 15.825 1.754 0.414 0.751 0.955 0.636 CA 1.139 23 residues pruned to eliminate duplicates Z: 16 8.260 1.694 0.546 0.349 0.800 0.667 CB 1.199 16 residues pruned to eliminate duplicates Z: 16 8.208 1.659 0.526 0.419 0.800 0.533 CB 1.138 16 residues pruned to eliminate duplicates Z: 29 19.801 1.941 0.521 0.538 0.893 0.607 CB 1.368 29 residues pruned to eliminate duplicates Z: 31 19.302 1.890 0.348 0.642 0.933 0.667 CA 1.298 31 residues pruned to eliminate duplicates Z: 31 20.605 1.850 0.620 0.607 0.900 0.633 CA 1.260 31 residues pruned to eliminate duplicates Z: 29 21.934 1.967 0.380 0.642 1.000 0.714 CA 1.337 29 residues pruned to eliminate duplicates Z: 30 21.130 1.893 0.587 0.574 0.966 0.517 CB 1.259 30 residues pruned to eliminate duplicates Z: 11 9.179 1.717 0.569 0.594 0.900 0.800 CB 1.094 11 residues pruned to eliminate duplicates Z: 7 8.106 1.606 0.390 0.638 1.000 0.333 O 1.302 7 residues pruned to eliminate duplicates Z: 9 6.006 1.567 0.330 0.429 0.875 0.375 CB 1.254 9 residues pruned to eliminate duplicates Z: 9 3.674 1.404 0.495 0.428 0.875 0.500 CB 0.762 9 residues pruned to eliminate duplicates Z: 6 5.391 1.722 0.211 0.409 1.000 0.400 CB 1.272 6 residues pruned to eliminate duplicates Z: 10 7.301 1.773 0.184 0.642 1.000 0.556 CB 1.015 10 residues pruned to eliminate duplicates Z: 21 8.839 1.726 0.354 0.403 0.850 0.550 CB 1.102 21 residues pruned to eliminate duplicates Z: 16 7.821 1.692 0.348 0.403 0.867 0.400 CB 1.132 16 residues pruned to eliminate duplicates Z: 11 7.507 1.699 0.312 0.570 0.900 0.600 CB 1.106 11 residues pruned to eliminate duplicates Z: 16 9.977 1.707 0.295 0.471 0.933 0.467 CB 1.285 16 residues pruned to eliminate duplicates Z: 32 18.003 1.818 0.533 0.443 0.935 0.548 CB 1.315 32 residues pruned to eliminate duplicates Z: 9 7.624 1.739 0.427 0.628 0.875 0.500 CA 1.100 9 residues pruned to eliminate duplicates Z: 22 10.183 1.831 0.307 0.474 0.857 0.619 CB 1.112 22 residues pruned to eliminate duplicates Z: 39 17.278 1.815 0.603 0.484 0.842 0.579 CB 1.162 39 residues pruned to eliminate duplicates Z: 24 16.239 1.816 0.595 0.468 1.000 0.435 CB 1.208 24 residues pruned to eliminate duplicates Z: 24 11.654 1.839 0.466 0.468 0.783 0.435 CB 1.191 24 residues pruned to eliminate duplicates Z: 51 18.491 1.819 0.547 0.441 0.840 0.560 CB 1.176 50 residues pruned to eliminate duplicates Z: 9 8.335 1.826 0.796 0.435 0.750 0.500 CB 1.282 9 residues pruned to eliminate duplicates Z: 27 12.456 1.804 0.559 0.454 0.808 0.615 CB 1.128 27 residues pruned to eliminate duplicates Z: 37 17.503 1.832 0.500 0.500 0.861 0.583 CB 1.233 37 residues pruned to eliminate duplicates Z: 16 14.237 1.789 0.608 0.557 1.000 0.867 CA 1.210 16 residues pruned to eliminate duplicates Z: 17 13.240 1.782 0.501 0.540 0.938 0.688 CA 1.269 17 residues pruned to eliminate duplicates Z: 12 8.500 1.769 0.559 0.306 0.818 0.636 CB 1.410 12 residues pruned to eliminate duplicates Z: 19 11.113 1.765 0.615 0.436 0.778 0.611 CB 1.263 19 residues pruned to eliminate duplicates Z: 34 14.155 1.719 0.646 0.441 0.818 0.485 CB 1.132 15 residues pruned to eliminate duplicates Z: 13 17.815 1.795 0.950 0.757 1.000 0.500 CB 1.169 13 residues pruned to eliminate duplicates Z: 36 16.194 1.864 0.571 0.462 0.857 0.543 CB 1.134 36 residues pruned to eliminate duplicates Z: 34 16.207 1.789 0.666 0.478 0.818 0.515 CB 1.182 34 residues pruned to eliminate duplicates Z: 18 7.764 1.758 0.805 0.483 0.647 0.471 CB 0.933 18 residues pruned to eliminate duplicates Z: 16 11.484 1.727 0.752 0.611 0.867 0.600 CB 1.018 16 residues pruned to eliminate duplicates Z: 13 10.844 1.881 0.513 0.578 0.917 0.500 CB 1.114 13 residues pruned to eliminate duplicates Z: 14 9.067 1.823 0.552 0.479 0.846 0.615 CB 1.073 14 residues pruned to eliminate duplicates Z: 12 10.831 1.921 0.572 0.674 0.818 0.727 CA 1.126 12 residues pruned to eliminate duplicates Z: 12 9.523 1.953 0.431 0.682 0.818 0.818 CA 1.062 12 residues pruned to eliminate duplicates Z: 15 12.126 1.927 0.632 0.580 0.786 0.571 CA 1.214 15 residues pruned to eliminate duplicates Z: 13 9.666 1.822 0.551 0.683 0.833 0.583 CA 1.002 13 residues pruned to eliminate duplicates Z: 15 13.636 1.773 0.767 0.641 0.857 0.714 CA 1.190 15 residues pruned to eliminate duplicates Z: 9 7.064 1.736 0.421 0.419 0.750 0.625 N 1.468 9 residues pruned to eliminate duplicates Z: 9 7.131 1.716 0.583 0.468 0.750 0.625 CA 1.279 9 residues pruned to eliminate duplicates Z: 14 5.411 1.712 0.361 0.397 0.615 0.615 CB 1.166 12 residues pruned to eliminate duplicates Z: 6 2.602 1.467 0.092 0.477 1.000 0.600 N 0.744 6 residues pruned to eliminate duplicates Z: 8 5.419 1.625 0.499 0.434 0.714 0.571 N 1.260 Z: 6 6.325 1.509 0.516 0.628 1.000 0.000 O 1.096 5 residues pruned to eliminate duplicates Z: 6 9.225 1.589 0.672 0.710 1.000 0.600 N 1.284 6 residues pruned to eliminate duplicates Z: 16 16.320 1.878 0.170 0.804 1.000 0.867 CA 1.471 16 residues pruned to eliminate duplicates Z: 19 17.438 1.880 0.365 0.704 1.000 0.833 CB 1.331 19 residues pruned to eliminate duplicates Z: 21 17.038 1.772 0.424 0.657 0.950 0.700 CA 1.374 21 residues pruned to eliminate duplicates Z: 20 18.421 1.858 0.350 0.713 1.000 0.789 CB 1.389 20 residues pruned to eliminate duplicates Z: 18 18.455 1.841 0.500 0.729 1.000 0.824 CB 1.319 18 residues pruned to eliminate duplicates Z: 45 29.587 1.834 0.527 0.667 0.932 0.614 CB 1.465 45 residues pruned to eliminate duplicates Z: 21 17.322 1.854 0.412 0.699 0.950 0.700 CB 1.298 21 residues pruned to eliminate duplicates Z: 39 16.437 1.707 0.674 0.362 0.947 0.526 CB 1.142 44 residues pruned to eliminate duplicates Z: 17 20.134 1.795 0.624 0.823 1.000 0.875 CB 1.305 17 residues pruned to eliminate duplicates Z: 22 19.920 1.815 0.552 0.749 1.000 0.810 CB 1.236 22 residues pruned to eliminate duplicates Z: 45 29.141 1.845 0.594 0.643 0.932 0.614 CB 1.402 45 residues pruned to eliminate duplicates Z: 22 18.138 1.816 0.533 0.636 0.952 0.810 CB 1.314 22 residues pruned to eliminate duplicates Z: 22 16.957 1.834 0.398 0.681 0.905 0.762 CB 1.350 22 residues pruned to eliminate duplicates Z: 22 19.206 1.811 0.454 0.688 0.952 0.714 CB 1.406 22 residues pruned to eliminate duplicates Z: 24 17.175 1.804 0.454 0.610 0.957 0.696 CB 1.286 24 residues pruned to eliminate duplicates Z: 22 17.472 1.777 0.450 0.661 0.952 0.667 CB 1.338 22 residues pruned to eliminate duplicates Z: 23 13.004 1.845 0.537 0.392 0.955 0.636 CB 1.149 23 residues pruned to eliminate duplicates Z: 20 10.363 1.764 0.633 0.404 0.842 0.632 CB 1.084 20 residues pruned to eliminate duplicates Z: 26 13.127 1.836 0.620 0.311 0.840 0.480 CB 1.296 26 residues pruned to eliminate duplicates Z: 11 11.257 1.828 0.600 0.470 1.000 0.700 CA 1.254 11 residues pruned to eliminate duplicates Z: 22 13.374 1.930 0.522 0.327 0.857 0.524 CB 1.401 22 residues pruned to eliminate duplicates Z: 12 7.129 1.719 0.477 0.434 0.909 0.545 CA 0.998 12 residues pruned to eliminate duplicates Z: 23 13.829 1.870 0.542 0.339 0.909 0.682 CA 1.340 23 residues pruned to eliminate duplicates Z: 22 14.422 1.921 0.582 0.336 0.857 0.571 CA 1.444 22 residues pruned to eliminate duplicates Z: 24 12.116 1.836 0.643 0.311 0.783 0.478 CB 1.319 24 residues pruned to eliminate duplicates Z: 22 12.764 1.916 0.494 0.314 0.857 0.619 CB 1.394 22 residues pruned to eliminate duplicates Z: 27 10.376 1.798 0.634 0.182 0.846 0.385 CB 1.200 27 residues pruned to eliminate duplicates Z: 25 12.068 1.857 0.553 0.274 0.875 0.458 CB 1.262 25 residues pruned to eliminate duplicates Z: 25 13.452 1.822 0.521 0.336 0.875 0.583 CB 1.355 25 residues pruned to eliminate duplicates Z: 24 13.006 1.883 0.523 0.294 0.870 0.652 CB 1.370 24 residues pruned to eliminate duplicates Z: 24 13.285 1.899 0.529 0.249 0.870 0.565 CB 1.464 24 residues pruned to eliminate duplicates Z: 12 10.065 1.962 0.688 0.202 1.000 0.545 CB 1.304 Z: 8 10.530 1.870 0.519 0.556 1.000 0.857 CA 1.326 20 residues pruned to eliminate duplicates Z: 26 9.503 1.847 0.380 0.257 0.800 0.520 CB 1.231 26 residues pruned to eliminate duplicates Z: 24 11.029 1.790 0.551 0.266 0.826 0.435 CB 1.310 24 residues pruned to eliminate duplicates Z: 24 12.302 1.837 0.635 0.300 0.870 0.565 CA 1.227 24 residues pruned to eliminate duplicates Z: 23 13.833 1.900 0.607 0.290 0.909 0.591 CA 1.345 23 residues pruned to eliminate duplicates Z: 12 9.960 2.004 0.621 0.214 0.818 0.455 CB 1.583 12 residues pruned to eliminate duplicates Z: 24 12.994 1.876 0.641 0.310 0.783 0.565 CA 1.388 24 residues pruned to eliminate duplicates Z: 26 12.577 1.821 0.563 0.271 0.840 0.600 CB 1.364 26 residues pruned to eliminate duplicates 781 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 9 D: 17 E: 11 F: 10 G: 6 H: 7 I: 12 J: 8 K: 22 L: 8 M: 8 N: 6 O: 14 P: 11 Q: 7 R: 11 S: 30 T: 24 U: 23 V: 20 W: 32 X: 10 Y: 21 Z: 20 Z: 12 Z: 8 Z: 8 Z: 9 Z: 166 Z: 17 Z: 56 Z: 18 Z: 31 Z: 15 Z: 80 CC for partial structure against native data = 29.29 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.446, Connect. = 0.699 for dens.mod. cycle 1 = 0.300, Contrast = 0.510, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.592, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.598, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.604, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.607, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.609, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.610, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.611, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.610, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4642 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1127 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 23.960 1.895 0.631 0.918 1.000 0.933 CB 1.412 B: 12 27.902 1.963 0.822 0.905 1.000 0.818 CA 1.675 C: 13 21.824 1.932 0.544 0.933 1.000 0.583 CB 1.474 13 residues pruned to eliminate duplicates D: 8 22.230 2.260 0.878 0.912 1.000 0.857 CB 1.402 E: 8 6.711 1.794 0.399 0.468 0.857 0.714 CA 1.218 F: 17 27.056 2.078 0.724 0.822 1.000 0.562 CB 1.428 G: 16 19.742 1.829 0.493 0.882 1.000 0.933 CA 1.351 16 residues pruned to eliminate duplicates H: 16 22.581 1.935 0.710 0.905 0.933 0.867 CB 1.344 I: 9 13.451 1.881 0.330 0.892 1.000 1.000 CA 1.365 J: 22 23.231 1.854 0.757 0.704 1.000 0.619 CB 1.292 K: 16 18.318 1.808 0.490 0.885 1.000 0.867 CA 1.267 L: 9 11.825 1.594 0.902 0.890 1.000 0.750 CB 0.993 M: 13 20.517 1.983 0.856 0.768 0.917 0.667 CA 1.385 12 residues pruned to eliminate duplicates N: 14 22.305 1.893 0.702 0.918 1.000 0.923 CB 1.354 O: 13 21.963 1.893 0.554 0.892 1.000 0.833 CB 1.548 13 residues pruned to eliminate duplicates P: 14 13.075 1.693 0.640 0.832 0.923 0.692 CB 1.063 Q: 12 7.009 1.560 0.170 0.788 0.909 0.727 CB 0.989 R: 10 10.372 1.854 0.873 0.513 1.000 0.667 CB 0.983 S: 17 17.636 1.891 0.529 0.805 1.000 0.875 CA 1.169 17 residues pruned to eliminate duplicates T: 11 19.956 1.916 0.618 0.882 1.000 0.800 CB 1.473 11 residues pruned to eliminate duplicates U: 15 22.538 1.929 0.638 0.853 1.000 0.714 CB 1.409 14 residues pruned to eliminate duplicates V: 18 32.895 2.013 0.829 0.848 1.000 0.647 CA 1.608 17 residues pruned to eliminate duplicates W: 15 16.180 1.854 0.750 0.837 0.857 0.571 CB 1.163 15 residues pruned to eliminate duplicates X: 10 14.968 2.130 0.321 0.898 1.000 0.889 CB 1.268 Y: 9 23.230 2.260 0.760 0.898 1.000 0.875 CB 1.477 8 residues pruned to eliminate duplicates Z: 22 24.963 1.863 0.790 0.766 1.000 0.810 CB 1.290 22 residues pruned to eliminate duplicates Z: 17 25.899 1.920 0.478 0.918 1.000 0.938 CA 1.608 Z: 18 21.709 1.862 0.590 0.889 1.000 0.824 CB 1.281 Z: 13 18.944 1.918 0.763 0.842 0.833 0.750 CA 1.446 13 residues pruned to eliminate duplicates Z: 6 6.663 1.798 0.324 0.714 0.800 0.600 CB 1.289 Z: 19 26.086 1.978 0.532 0.817 1.000 0.722 CA 1.541 18 residues pruned to eliminate duplicates Z: 17 16.943 1.813 0.532 0.765 0.938 0.625 CA 1.285 16 residues pruned to eliminate duplicates Z: 21 25.505 1.988 0.577 0.761 1.000 0.650 CB 1.442 18 residues pruned to eliminate duplicates Z: 54 22.435 1.900 0.550 0.465 0.830 0.528 CB 1.307 29 residues pruned to eliminate duplicates Z: 11 15.138 1.841 0.831 0.852 0.900 0.700 CB 1.166 13 residues pruned to eliminate duplicates Z: 16 20.576 1.848 0.504 0.930 1.000 1.000 CA 1.337 17 residues pruned to eliminate duplicates Z: 9 8.149 1.673 0.110 0.829 1.000 0.750 CB 1.167 9 residues pruned to eliminate duplicates Z: 17 25.344 1.911 0.582 0.906 1.000 0.938 CA 1.490 17 residues pruned to eliminate duplicates Z: 18 14.231 1.894 0.347 0.821 0.941 0.706 CA 1.088 18 residues pruned to eliminate duplicates Z: 9 11.792 2.065 0.181 0.864 1.000 0.875 CB 1.253 9 residues pruned to eliminate duplicates Z: 21 25.921 1.900 0.822 0.762 0.950 0.600 CB 1.397 19 residues pruned to eliminate duplicates Z: 16 23.292 1.903 0.843 0.870 0.933 0.867 CA 1.341 15 residues pruned to eliminate duplicates Z: 18 21.257 1.796 0.744 0.864 0.882 0.647 CA 1.368 Z: 12 15.199 1.923 0.406 0.897 1.000 0.909 CB 1.213 12 residues pruned to eliminate duplicates Z: 14 29.248 2.067 0.709 0.904 1.000 0.923 CA 1.636 17 residues pruned to eliminate duplicates Z: 15 18.274 1.931 0.657 0.847 0.929 0.643 CA 1.220 15 residues pruned to eliminate duplicates Z: 8 11.097 1.794 0.454 0.778 1.000 0.429 CA 1.258 8 residues pruned to eliminate duplicates Z: 18 24.000 2.051 0.685 0.779 0.882 0.706 CA 1.492 18 residues pruned to eliminate duplicates Z: 10 7.104 1.833 0.638 0.319 0.889 0.667 CB 1.084 Z: 9 6.862 1.682 0.187 0.543 0.875 0.875 CB 1.331 Z: 18 15.602 1.672 0.310 0.788 0.941 0.765 CB 1.425 Z: 17 28.544 1.969 0.886 0.839 0.875 0.625 N 1.640 17 residues pruned to eliminate duplicates Z: 13 18.695 1.952 0.558 0.913 0.917 0.667 CB 1.370 11 residues pruned to eliminate duplicates Z: 16 19.709 1.839 0.533 0.894 1.000 0.800 CA 1.295 16 residues pruned to eliminate duplicates Z: 13 9.481 1.774 0.349 0.734 0.833 0.667 CB 1.113 12 residues pruned to eliminate duplicates Z: 24 17.539 1.854 0.604 0.628 0.870 0.696 CB 1.254 17 residues pruned to eliminate duplicates Z: 6 13.434 2.028 0.451 0.826 1.000 0.600 CB 1.540 Z: 8 9.891 1.765 0.589 0.629 0.857 0.857 CA 1.377 Z: 27 27.615 2.174 0.597 0.503 0.962 0.692 CB 1.617 12 residues pruned to eliminate duplicates Z: 16 22.814 1.898 0.589 0.925 0.933 0.933 CA 1.468 16 residues pruned to eliminate duplicates Z: 6 3.926 1.643 0.163 0.454 0.800 0.400 N 1.203 Z: 18 23.737 1.873 0.509 0.869 1.000 0.824 N 1.488 18 residues pruned to eliminate duplicates Z: 10 14.837 1.823 0.447 0.885 1.000 0.889 CA 1.354 9 residues pruned to eliminate duplicates Z: 14 19.997 1.974 0.689 0.848 0.923 0.769 CA 1.336 14 residues pruned to eliminate duplicates Z: 17 26.936 1.932 0.574 0.874 1.000 0.812 CA 1.612 17 residues pruned to eliminate duplicates Z: 14 27.912 2.076 0.587 0.925 1.000 0.923 CA 1.649 14 residues pruned to eliminate duplicates Z: 7 14.107 1.955 0.827 0.892 1.000 1.000 CB 1.159 Z: 18 22.178 1.820 0.946 0.899 0.941 0.824 CB 1.154 18 residues pruned to eliminate duplicates Z: 12 11.968 1.903 0.365 0.788 1.000 0.909 CB 1.079 Z: 18 25.212 2.006 0.654 0.847 1.000 0.824 CB 1.368 18 residues pruned to eliminate duplicates Z: 18 22.408 1.847 0.705 0.871 0.941 0.529 CB 1.337 18 residues pruned to eliminate duplicates Z: 6 8.027 1.607 0.657 0.790 0.800 0.800 CA 1.306 6 residues pruned to eliminate duplicates Z: 10 18.059 2.053 0.743 0.871 1.000 0.667 CB 1.227 11 residues pruned to eliminate duplicates Z: 26 14.839 1.880 0.474 0.428 0.840 0.520 CB 1.374 22 residues pruned to eliminate duplicates Z: 9 4.902 1.670 0.138 0.533 0.750 0.500 CB 1.177 6 residues pruned to eliminate duplicates Z: 8 5.873 1.645 0.444 0.752 0.714 0.429 CA 1.045 8 residues pruned to eliminate duplicates Z: 8 6.398 1.626 0.501 0.708 1.000 0.571 CB 0.820 6 residues pruned to eliminate duplicates Z: 13 10.448 1.747 0.343 0.784 0.750 0.667 CB 1.335 Z: 10 11.591 1.971 0.337 0.822 0.889 0.667 CB 1.248 10 residues pruned to eliminate duplicates Z: 6 4.584 1.556 0.118 0.802 0.800 0.600 CB 1.131 Z: 8 12.334 1.700 0.675 0.865 1.000 0.857 CB 1.199 8 residues pruned to eliminate duplicates Z: 12 13.716 1.799 0.458 0.870 1.000 0.727 CB 1.151 Z: 16 29.053 1.965 0.730 0.900 1.000 0.867 CB 1.577 15 residues pruned to eliminate duplicates Z: 10 14.385 1.923 0.477 0.868 1.000 0.889 CB 1.234 Z: 17 22.477 1.861 0.814 0.903 1.000 0.688 CB 1.186 23 residues pruned to eliminate duplicates Z: 13 18.829 1.732 0.833 0.887 0.917 0.667 CB 1.347 14 residues pruned to eliminate duplicates Z: 10 8.912 1.466 0.500 0.790 0.889 0.778 CA 1.179 9 residues pruned to eliminate duplicates Z: 12 17.180 1.810 0.633 0.840 1.000 0.909 CB 1.308 11 residues pruned to eliminate duplicates Z: 18 18.091 1.955 0.439 0.815 0.941 0.412 CB 1.261 18 residues pruned to eliminate duplicates Z: 14 15.975 1.929 0.580 0.790 1.000 0.769 CA 1.127 Z: 25 9.072 1.766 0.291 0.307 0.792 0.417 CB 1.272 25 residues pruned to eliminate duplicates Z: 13 16.709 1.876 0.546 0.829 0.917 0.833 CA 1.365 13 residues pruned to eliminate duplicates Z: 11 13.529 1.788 0.447 0.653 1.000 1.000 CA 1.434 Z: 13 19.524 2.004 0.556 0.902 0.917 0.833 CA 1.407 13 residues pruned to eliminate duplicates Z: 17 17.956 1.759 0.747 0.772 0.812 0.750 CA 1.414 17 residues pruned to eliminate duplicates Z: 11 12.033 1.836 0.604 0.852 0.900 0.700 CB 1.062 11 residues pruned to eliminate duplicates Z: 17 34.106 1.984 0.874 0.909 1.000 0.938 CA 1.628 17 residues pruned to eliminate duplicates Z: 17 25.430 1.821 0.814 0.942 1.000 0.875 CB 1.335 16 residues pruned to eliminate duplicates Z: 7 9.413 1.525 0.651 0.782 1.000 0.500 CB 1.190 8 residues pruned to eliminate duplicates Z: 8 6.679 1.653 0.581 0.365 0.857 0.571 N 1.303 Z: 13 7.472 1.677 0.375 0.515 0.917 0.667 CB 1.006 Z: 13 21.919 2.034 0.641 0.935 1.000 1.000 CB 1.321 15 residues pruned to eliminate duplicates Z: 19 22.507 1.984 0.500 0.839 0.889 0.722 CA 1.498 19 residues pruned to eliminate duplicates 8 1.708 1.585 0.327 0.197 0.429 0.429 N 1.028 ? Z: 16 22.141 1.910 0.581 0.927 0.933 0.933 CB 1.422 16 residues pruned to eliminate duplicates Z: 31 22.343 1.966 0.456 0.645 0.933 0.633 CB 1.333 14 residues pruned to eliminate duplicates Z: 11 6.829 1.606 -0.145 0.831 1.000 0.800 CB 1.181 11 residues pruned to eliminate duplicates Z: 10 8.309 1.652 0.417 0.572 1.000 0.667 CB 1.103 Z: 7 3.246 1.569 0.076 0.523 0.667 0.500 N 1.151 Z: 7 8.471 1.750 0.545 0.879 0.833 0.500 CB 1.114 7 residues pruned to eliminate duplicates Z: 6 8.218 2.049 0.140 0.819 0.800 0.600 CB 1.492 6 residues pruned to eliminate duplicates Z: 16 24.736 1.934 0.834 0.925 0.933 0.933 CB 1.354 16 residues pruned to eliminate duplicates Z: 6 3.888 1.860 -0.026 0.620 1.000 0.800 CB 0.856 Z: 34 26.778 1.919 0.743 0.690 0.939 0.667 CB 1.247 43 residues pruned to eliminate duplicates Z: 15 21.819 1.969 0.511 0.928 0.929 0.929 CA 1.477 15 residues pruned to eliminate duplicates Z: 10 7.800 1.539 0.624 0.747 1.000 0.778 CB 0.834 Z: 6 6.225 1.695 0.063 0.705 1.000 0.600 CA 1.283 6 residues pruned to eliminate duplicates Z: 9 5.191 1.596 0.354 0.483 0.875 0.500 CB 0.987 9 residues pruned to eliminate duplicates Z: 59 29.758 2.025 0.619 0.522 0.914 0.569 CB 1.276 56 residues pruned to eliminate duplicates Z: 18 25.497 1.821 0.782 0.928 1.000 0.882 CA 1.334 18 residues pruned to eliminate duplicates Z: 6 8.352 1.630 0.554 0.743 1.000 1.000 CB 1.185 6 residues pruned to eliminate duplicates Z: 12 15.053 1.826 0.330 0.893 1.000 0.727 CA 1.341 12 residues pruned to eliminate duplicates Z: 8 7.045 1.706 0.544 0.756 1.000 0.714 CB 0.805 8 residues pruned to eliminate duplicates Z: 16 18.478 1.887 0.565 0.885 1.000 0.933 CA 1.166 17 residues pruned to eliminate duplicates Z: 19 11.055 1.769 0.284 0.538 0.833 0.667 CB 1.327 23 residues pruned to eliminate duplicates Z: 17 32.837 1.959 0.835 0.882 1.000 0.812 CA 1.652 17 residues pruned to eliminate duplicates Z: 6 5.887 1.638 -0.012 0.842 1.000 0.800 CA 1.212 Z: 7 14.478 1.934 0.996 0.841 1.000 0.500 CB 1.142 Z: 11 10.806 1.678 0.524 0.383 1.000 0.600 CB 1.514 3 residues pruned to eliminate duplicates Z: 19 25.379 1.986 0.551 0.823 0.944 0.833 CB 1.554 19 residues pruned to eliminate duplicates Z: 6 5.331 1.901 0.570 0.782 0.600 0.600 CB 1.039 6 residues pruned to eliminate duplicates Z: 11 11.391 1.836 0.323 0.863 1.000 1.000 CB 1.088 11 residues pruned to eliminate duplicates Z: 17 18.704 1.871 0.671 0.832 0.938 0.875 CA 1.197 15 residues pruned to eliminate duplicates Z: 10 9.430 1.883 0.428 0.858 0.889 0.667 CA 0.968 Z: 14 21.491 2.097 0.400 0.861 0.923 0.846 CA 1.617 14 residues pruned to eliminate duplicates Z: 7 4.304 1.804 0.199 0.552 0.833 0.500 CB 0.927 Z: 6 5.557 1.596 0.258 0.785 1.000 0.800 CB 0.963 Z: 8 6.858 1.577 0.322 0.603 1.000 0.429 CB 1.127 Z: 9 9.350 1.806 0.401 0.844 0.875 0.625 CB 1.111 9 residues pruned to eliminate duplicates Z: 30 12.158 1.901 0.397 0.384 0.793 0.517 CB 1.213 6 residues pruned to eliminate duplicates Z: 24 18.411 1.939 0.448 0.508 0.957 0.783 CB 1.417 26 residues pruned to eliminate duplicates Z: 23 15.533 1.959 0.367 0.467 0.909 0.455 CA 1.407 23 residues pruned to eliminate duplicates Z: 15 26.594 1.947 0.902 0.921 0.929 0.786 CB 1.455 15 residues pruned to eliminate duplicates Z: 9 8.841 1.857 0.394 0.638 0.875 0.625 CA 1.213 9 residues pruned to eliminate duplicates Z: 9 3.902 1.589 0.319 0.481 0.750 0.750 N 0.894 Z: 10 9.227 1.722 0.742 0.723 0.889 0.778 CA 0.943 Z: 14 15.437 1.844 0.730 0.762 0.769 0.769 CB 1.382 14 residues pruned to eliminate duplicates Z: 11 10.430 1.891 0.258 0.838 0.900 0.700 CB 1.152 10 residues pruned to eliminate duplicates Z: 6 9.263 1.926 0.309 0.861 1.000 1.000 CB 1.207 Z: 6 3.174 1.580 0.307 0.570 0.800 0.600 CB 0.804 Z: 7 7.208 1.894 0.081 0.547 1.000 0.667 CB 1.372 Z: 9 10.033 1.846 0.431 0.709 0.875 0.500 CB 1.270 Z: 16 22.993 1.871 0.626 0.924 1.000 0.867 CA 1.371 15 residues pruned to eliminate duplicates Z: 28 18.218 1.911 0.373 0.608 0.926 0.630 CB 1.302 29 residues pruned to eliminate duplicates Z: 33 12.918 1.922 0.422 0.382 0.750 0.469 CB 1.263 30 residues pruned to eliminate duplicates Z: 15 6.600 1.683 0.335 0.403 0.786 0.571 CB 1.107 15 residues pruned to eliminate duplicates Z: 7 14.298 1.681 1.013 0.812 1.000 0.500 CB 1.315 7 residues pruned to eliminate duplicates Z: 16 18.078 1.829 0.754 0.836 0.867 0.800 CA 1.256 16 residues pruned to eliminate duplicates Z: 40 23.525 1.898 0.599 0.517 0.897 0.641 CB 1.361 40 residues pruned to eliminate duplicates Z: 11 11.290 1.771 0.581 0.791 0.900 0.600 CA 1.098 10 residues pruned to eliminate duplicates Z: 12 12.208 1.716 0.727 0.905 0.909 0.727 CB 0.972 13 residues pruned to eliminate duplicates Z: 21 20.240 1.931 0.542 0.726 1.000 0.850 CB 1.240 21 residues pruned to eliminate duplicates Z: 8 2.875 1.516 0.350 0.329 0.571 0.571 N 1.120 Z: 13 16.145 1.916 0.314 0.938 1.000 0.917 CB 1.287 13 residues pruned to eliminate duplicates Z: 8 11.844 1.806 0.466 0.891 1.000 1.000 CB 1.216 6 residues pruned to eliminate duplicates Z: 7 3.243 1.458 0.209 0.479 0.833 0.667 N 0.921 Z: 16 17.150 1.903 0.433 0.845 1.000 0.800 CA 1.208 16 residues pruned to eliminate duplicates Z: 14 12.974 1.683 0.544 0.898 1.000 0.846 CB 0.991 15 residues pruned to eliminate duplicates Z: 8 3.896 1.573 0.397 0.330 0.714 0.429 CB 1.130 Z: 17 17.264 1.775 0.707 0.788 0.938 0.812 CB 1.179 18 residues pruned to eliminate duplicates Z: 9 10.000 1.737 0.330 0.790 1.000 0.750 CB 1.187 10 residues pruned to eliminate duplicates Z: 25 12.701 1.853 0.339 0.330 0.875 0.417 CB 1.439 25 residues pruned to eliminate duplicates Z: 6 4.620 1.648 0.158 0.671 0.800 0.800 CB 1.156 4 residues pruned to eliminate duplicates Z: 18 18.971 1.839 0.608 0.907 0.941 0.824 CB 1.175 18 residues pruned to eliminate duplicates 6 1.893 1.133 0.669 0.492 0.600 0.600 CB 0.752 ? Z: 11 6.097 1.556 0.538 0.397 0.900 0.800 CA 0.998 11 residues pruned to eliminate duplicates Z: 17 16.964 1.729 0.410 0.866 1.000 0.812 CA 1.274 17 residues pruned to eliminate duplicates Z: 18 26.014 1.841 0.800 0.886 1.000 0.706 CA 1.374 18 residues pruned to eliminate duplicates Z: 11 11.934 1.757 0.988 0.811 0.800 0.600 CA 1.030 11 residues pruned to eliminate duplicates Z: 7 10.641 1.719 0.717 0.894 1.000 1.000 CB 1.056 7 residues pruned to eliminate duplicates Z: 17 23.927 1.945 0.545 0.868 1.000 0.875 CA 1.455 17 residues pruned to eliminate duplicates Z: 6 5.787 1.623 0.482 0.777 0.800 0.800 CA 1.053 6 residues pruned to eliminate duplicates Z: 17 29.713 1.806 0.998 0.924 1.000 0.688 CB 1.446 19 residues pruned to eliminate duplicates Z: 17 28.617 1.867 0.814 0.934 1.000 0.750 CB 1.473 17 residues pruned to eliminate duplicates Z: 53 17.857 1.928 0.428 0.353 0.808 0.481 CB 1.306 41 residues pruned to eliminate duplicates Z: 21 16.966 1.815 0.463 0.795 0.950 0.800 CA 1.161 21 residues pruned to eliminate duplicates Z: 9 9.161 1.946 0.062 0.798 1.000 0.750 CB 1.207 9 residues pruned to eliminate duplicates Z: 18 20.087 1.829 0.353 0.934 1.000 1.000 CA 1.373 18 residues pruned to eliminate duplicates Z: 18 30.751 1.880 0.851 0.869 1.000 0.706 N 1.566 18 residues pruned to eliminate duplicates Z: 11 7.907 1.754 0.465 0.754 1.000 0.600 CB 0.776 11 residues pruned to eliminate duplicates Z: 19 19.404 1.830 0.738 0.806 0.944 0.722 CA 1.165 20 residues pruned to eliminate duplicates Z: 17 26.036 1.907 0.948 0.873 0.938 0.812 CB 1.362 17 residues pruned to eliminate duplicates Z: 17 22.898 1.826 0.690 0.850 0.938 0.562 N 1.466 17 residues pruned to eliminate duplicates Z: 17 15.325 1.792 0.306 0.905 0.938 0.812 CB 1.243 17 residues pruned to eliminate duplicates Z: 12 21.431 1.917 1.177 0.858 0.909 0.545 CB 1.254 12 residues pruned to eliminate duplicates Z: 31 24.946 1.947 0.550 0.656 1.000 0.700 CB 1.306 22 residues pruned to eliminate duplicates Z: 9 6.567 1.777 0.106 0.639 0.875 0.875 CB 1.186 Z: 23 11.118 1.713 0.299 0.429 0.909 0.545 CB 1.262 23 residues pruned to eliminate duplicates Z: 9 4.278 1.625 0.458 0.500 0.875 0.375 CB 0.730 Z: 10 11.600 2.129 0.029 0.879 1.000 0.889 CB 1.280 10 residues pruned to eliminate duplicates Z: 16 26.690 1.834 1.005 0.926 1.000 0.800 CB 1.314 16 residues pruned to eliminate duplicates Z: 6 4.699 1.610 0.572 0.742 0.800 0.400 CB 0.836 Z: 18 17.863 1.951 0.605 0.748 0.882 0.647 CB 1.256 18 residues pruned to eliminate duplicates Z: 10 22.188 2.023 1.164 0.898 0.889 0.667 CA 1.359 10 residues pruned to eliminate duplicates Z: 8 7.132 1.806 0.435 0.491 0.857 0.571 CB 1.224 Z: 18 19.824 1.850 0.663 0.896 0.941 0.882 CB 1.190 18 residues pruned to eliminate duplicates Z: 18 25.416 1.861 0.794 0.886 1.000 0.765 CB 1.332 18 residues pruned to eliminate duplicates Z: 6 3.097 1.616 0.183 0.489 0.800 0.400 CB 0.915 Z: 20 21.108 1.826 0.864 0.784 0.842 0.526 CB 1.316 20 residues pruned to eliminate duplicates Z: 15 30.781 1.915 1.127 0.930 1.000 0.929 CB 1.412 15 residues pruned to eliminate duplicates Z: 7 9.705 1.886 0.414 0.866 1.000 1.000 CB 1.088 7 residues pruned to eliminate duplicates Z: 10 6.433 1.667 0.332 0.405 0.889 0.667 CB 1.200 10 residues pruned to eliminate duplicates Z: 15 25.594 1.950 0.860 0.923 0.929 0.714 CB 1.427 15 residues pruned to eliminate duplicates Z: 16 18.830 1.878 0.776 0.797 0.867 0.800 CA 1.297 16 residues pruned to eliminate duplicates Z: 12 25.188 1.949 0.878 0.922 1.000 0.455 CB 1.459 12 residues pruned to eliminate duplicates Z: 18 6.239 1.885 0.259 0.329 0.647 0.471 CB 1.188 18 residues pruned to eliminate duplicates Z: 13 12.926 1.731 0.317 0.867 1.000 0.750 CB 1.197 13 residues pruned to eliminate duplicates Z: 7 8.034 1.709 0.476 0.859 0.833 0.833 CB 1.148 7 residues pruned to eliminate duplicates Z: 11 11.972 1.491 0.722 0.900 1.000 0.800 CB 1.053 10 residues pruned to eliminate duplicates Z: 36 15.067 1.872 0.367 0.423 0.857 0.514 CB 1.258 36 residues pruned to eliminate duplicates Z: 16 21.921 1.798 0.854 0.864 1.000 0.733 CB 1.244 16 residues pruned to eliminate duplicates Z: 6 5.237 1.748 0.493 0.667 1.000 1.000 CB 0.769 Z: 6 6.878 1.653 0.692 0.701 0.800 0.800 N 1.144 Z: 13 10.637 1.588 0.634 0.746 0.833 0.583 CB 1.139 13 residues pruned to eliminate duplicates Z: 6 10.757 1.698 0.429 0.783 1.000 0.800 CB 1.545 6 residues pruned to eliminate duplicates Z: 10 8.784 1.912 0.381 0.814 0.778 0.556 CA 1.086 10 residues pruned to eliminate duplicates Z: 15 19.302 1.931 0.366 0.907 1.000 0.857 CA 1.390 15 residues pruned to eliminate duplicates Z: 14 8.699 1.704 0.209 0.753 0.846 0.308 CB 1.105 10 residues pruned to eliminate duplicates Z: 33 12.023 1.869 0.386 0.406 0.781 0.531 CB 1.159 33 residues pruned to eliminate duplicates Z: 19 20.793 1.749 0.495 0.930 1.000 0.778 CA 1.310 19 residues pruned to eliminate duplicates Z: 18 20.322 2.007 0.508 0.768 0.941 0.824 CA 1.365 18 residues pruned to eliminate duplicates Z: 18 7.579 1.779 0.320 0.315 0.882 0.471 CB 1.088 18 residues pruned to eliminate duplicates Z: 18 20.494 1.821 0.645 0.822 1.000 0.941 CA 1.255 18 residues pruned to eliminate duplicates Z: 17 20.322 1.879 0.818 0.836 1.000 0.750 CB 1.113 17 residues pruned to eliminate duplicates Z: 9 13.923 1.903 0.761 0.880 1.000 0.875 CB 1.064 11 residues pruned to eliminate duplicates Z: 8 12.653 1.883 0.268 0.899 1.000 1.000 CB 1.431 7 residues pruned to eliminate duplicates Z: 16 23.634 1.846 1.016 0.887 0.933 0.667 CB 1.267 16 residues pruned to eliminate duplicates Z: 26 25.523 1.860 0.605 0.691 0.960 0.720 N 1.496 26 residues pruned to eliminate duplicates Z: 12 11.383 1.936 0.363 0.331 1.000 0.455 CB 1.566 12 residues pruned to eliminate duplicates Z: 10 9.680 1.880 0.503 0.566 0.889 0.667 CB 1.204 10 residues pruned to eliminate duplicates Z: 14 14.007 1.803 0.591 0.867 1.000 0.769 CB 0.990 14 residues pruned to eliminate duplicates Z: 8 6.190 1.714 0.313 0.474 0.857 0.714 CB 1.245 8 residues pruned to eliminate duplicates Z: 10 11.759 1.650 0.373 0.856 1.000 0.778 CB 1.275 Z: 8 9.586 1.716 0.451 0.870 0.857 0.857 CB 1.239 8 residues pruned to eliminate duplicates Z: 13 5.723 1.479 0.401 0.575 0.750 0.583 CA 0.989 Z: 6 2.274 1.772 0.000 0.290 1.000 0.800 CB 0.727 Z: 16 20.057 1.894 0.665 0.781 0.933 0.667 CA 1.374 16 residues pruned to eliminate duplicates Z: 6 4.954 1.686 0.327 0.565 0.800 0.600 CA 1.162 6 1.684 1.446 0.131 0.286 0.600 0.600 N 0.976 ? Z: 12 13.240 1.697 0.851 0.876 0.909 0.818 CB 1.016 12 residues pruned to eliminate duplicates Z: 9 6.123 1.702 -0.258 0.837 1.000 0.500 CB 1.282 9 residues pruned to eliminate duplicates Z: 9 8.657 1.667 0.318 0.867 0.875 0.625 CB 1.164 9 residues pruned to eliminate duplicates Z: 17 20.570 1.933 0.563 0.889 0.938 0.875 CB 1.307 17 residues pruned to eliminate duplicates Z: 18 31.415 1.833 0.962 0.898 1.000 0.706 CA 1.516 18 residues pruned to eliminate duplicates Z: 7 11.160 1.604 0.887 0.761 1.000 0.667 CB 1.194 Z: 18 16.659 1.949 0.735 0.489 0.882 0.471 CB 1.369 18 residues pruned to eliminate duplicates Z: 28 20.981 2.051 0.371 0.512 0.963 0.519 CB 1.473 28 residues pruned to eliminate duplicates Z: 19 20.925 1.777 0.690 0.839 0.944 0.833 CA 1.299 19 residues pruned to eliminate duplicates Z: 13 6.148 1.776 0.189 0.407 0.750 0.333 CB 1.236 7 residues pruned to eliminate duplicates Z: 11 9.287 1.822 0.035 0.844 1.000 0.900 CB 1.158 11 residues pruned to eliminate duplicates Z: 9 6.422 1.725 0.195 0.393 0.875 0.625 O 1.410 7 residues pruned to eliminate duplicates Z: 12 25.386 1.990 0.979 0.900 1.000 0.818 CB 1.388 12 residues pruned to eliminate duplicates Z: 12 11.221 1.797 0.303 0.796 1.000 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 11 22.723 2.094 0.578 0.891 1.000 0.800 CB 1.563 11 residues pruned to eliminate duplicates Z: 9 8.549 1.821 0.520 0.499 0.875 0.875 CB 1.249 Z: 7 5.013 1.706 0.432 0.317 0.833 0.500 CA 1.231 Z: 18 20.474 1.862 0.714 0.881 0.941 0.882 CB 1.198 18 residues pruned to eliminate duplicates Z: 10 14.600 1.945 0.478 0.882 1.000 0.778 CB 1.225 10 residues pruned to eliminate duplicates Z: 7 10.763 1.526 0.734 0.872 1.000 1.000 N 1.210 7 residues pruned to eliminate duplicates Z: 9 9.123 1.658 0.638 0.767 0.875 0.750 CB 1.071 9 residues pruned to eliminate duplicates Z: 12 11.032 2.008 0.222 0.522 1.000 0.727 CB 1.327 12 residues pruned to eliminate duplicates Z: 6 3.698 1.600 0.565 0.762 0.600 0.600 CA 0.872 6 residues pruned to eliminate duplicates Z: 8 9.878 1.523 0.485 0.881 1.000 1.000 CA 1.196 8 residues pruned to eliminate duplicates Z: 19 16.722 1.741 0.477 0.882 0.944 0.778 CA 1.175 19 residues pruned to eliminate duplicates Z: 11 11.404 1.801 0.627 0.807 1.000 0.700 CA 0.942 9 residues pruned to eliminate duplicates Z: 21 12.423 1.778 0.491 0.379 0.900 0.550 CA 1.325 Z: 17 33.470 1.955 0.894 0.913 1.000 0.750 CA 1.600 17 residues pruned to eliminate duplicates Z: 24 15.436 1.761 0.296 0.714 1.000 0.609 CA 1.162 24 residues pruned to eliminate duplicates Z: 7 3.585 1.790 0.368 0.453 0.667 0.500 CB 0.940 Z: 6 8.954 1.568 0.532 0.798 1.000 0.800 CB 1.284 6 residues pruned to eliminate duplicates Z: 6 3.011 1.377 0.258 0.494 1.000 0.800 CB 0.782 Z: 6 8.045 1.804 0.126 0.719 1.000 0.800 N 1.453 6 residues pruned to eliminate duplicates Z: 17 20.381 1.901 0.324 0.938 1.000 0.938 CA 1.407 17 residues pruned to eliminate duplicates Z: 19 11.629 1.702 0.581 0.579 0.833 0.333 CB 1.133 19 residues pruned to eliminate duplicates Z: 6 8.128 1.644 0.642 0.821 0.800 0.800 CB 1.273 Z: 7 6.352 1.531 0.864 0.767 0.833 0.500 CA 0.860 7 residues pruned to eliminate duplicates Z: 9 6.062 1.792 0.551 0.498 0.875 0.750 CB 0.882 Z: 6 7.120 1.510 0.431 0.818 1.000 0.600 CB 1.117 6 residues pruned to eliminate duplicates 7 1.438 1.358 -0.099 0.279 0.667 0.167 CB 0.924 ? Z: 20 17.476 1.838 0.741 0.630 0.895 0.579 CB 1.239 18 residues pruned to eliminate duplicates Z: 15 22.208 1.874 0.707 0.862 1.000 0.714 CB 1.362 15 residues pruned to eliminate duplicates Z: 16 23.385 1.814 1.013 0.865 1.000 0.867 CB 1.212 16 residues pruned to eliminate duplicates Z: 6 6.734 1.757 0.025 0.787 1.000 0.400 CB 1.299 6 residues pruned to eliminate duplicates Z: 8 12.855 1.820 0.746 0.852 1.000 1.000 CA 1.131 7 residues pruned to eliminate duplicates Z: 12 3.661 1.231 0.583 0.807 1.000 0.545 CB 0.433 Z: 10 13.629 1.479 1.014 0.906 1.000 1.000 CB 1.084 10 residues pruned to eliminate duplicates Z: 13 22.493 1.904 0.949 0.925 1.000 0.833 CB 1.228 13 residues pruned to eliminate duplicates Z: 10 3.245 1.474 0.399 0.246 0.667 0.333 CA 1.055 Z: 16 8.407 1.676 0.622 0.402 0.867 0.600 CB 1.022 6 residues pruned to eliminate duplicates Z: 13 10.401 1.645 0.385 0.830 0.833 0.833 CB 1.190 13 residues pruned to eliminate duplicates Z: 16 21.092 1.849 0.658 0.913 1.000 0.933 CB 1.258 16 residues pruned to eliminate duplicates Z: 18 18.012 1.809 0.566 0.810 0.941 0.765 CA 1.251 18 residues pruned to eliminate duplicates Z: 17 31.525 1.950 0.786 0.940 1.000 1.000 CA 1.572 17 residues pruned to eliminate duplicates Z: 16 23.881 1.890 0.720 0.879 0.933 0.933 CA 1.474 16 residues pruned to eliminate duplicates Z: 21 7.224 1.911 0.518 0.305 0.650 0.550 CB 1.064 21 residues pruned to eliminate duplicates Z: 17 19.423 1.752 0.522 0.898 1.000 0.812 CA 1.303 14 residues pruned to eliminate duplicates Z: 11 16.435 1.995 0.362 0.858 1.000 0.900 CB 1.408 11 residues pruned to eliminate duplicates 6 0.935 1.362 -0.199 0.465 0.800 0.600 N 0.496 ? Z: 16 21.721 1.812 0.700 0.898 0.933 0.800 CB 1.396 16 residues pruned to eliminate duplicates Z: 44 20.083 1.926 0.515 0.330 0.930 0.512 CB 1.359 41 residues pruned to eliminate duplicates Z: 10 8.589 1.570 0.497 0.892 1.000 0.444 CB 0.875 6 residues pruned to eliminate duplicates Z: 12 8.848 1.804 0.344 0.820 0.818 0.636 CB 1.019 12 residues pruned to eliminate duplicates Z: 11 18.432 2.095 0.799 0.577 1.000 0.500 CB 1.436 11 residues pruned to eliminate duplicates Z: 16 23.378 1.840 0.884 0.901 0.933 0.933 CA 1.331 16 residues pruned to eliminate duplicates Z: 8 6.817 1.567 0.354 0.573 0.857 0.429 CB 1.320 8 residues pruned to eliminate duplicates Z: 9 7.778 1.783 0.566 0.569 0.875 0.750 CB 1.052 Z: 7 4.167 1.527 0.610 0.626 0.833 0.667 CB 0.737 6 residues pruned to eliminate duplicates Z: 16 19.727 1.853 0.440 0.921 1.000 0.933 CA 1.343 16 residues pruned to eliminate duplicates Z: 10 5.362 1.689 0.592 0.311 0.889 0.778 CB 0.921 7 residues pruned to eliminate duplicates Z: 8 8.656 2.027 0.549 0.846 1.000 0.714 CB 0.774 8 residues pruned to eliminate duplicates Z: 11 14.386 1.812 0.519 0.907 1.000 0.800 CB 1.175 10 residues pruned to eliminate duplicates Z: 7 3.092 1.523 -0.041 0.577 0.833 0.500 CB 0.964 Z: 11 6.493 1.783 0.460 0.336 0.900 0.700 CB 1.048 11 residues pruned to eliminate duplicates Z: 6 7.633 1.647 0.564 0.828 1.000 0.600 CB 0.998 6 residues pruned to eliminate duplicates Z: 18 9.685 1.681 0.435 0.374 0.882 0.706 CB 1.262 17 residues pruned to eliminate duplicates Z: 21 16.503 1.934 0.429 0.554 0.900 0.650 CB 1.408 21 residues pruned to eliminate duplicates Z: 8 4.314 1.453 0.462 0.344 0.857 0.714 CB 1.061 Z: 7 3.893 1.615 0.144 0.424 0.833 0.333 CB 1.117 5 residues pruned to eliminate duplicates Z: 9 6.370 1.677 0.525 0.380 0.875 0.500 CA 1.143 Z: 10 8.398 1.682 0.225 0.716 0.889 0.444 CB 1.257 10 residues pruned to eliminate duplicates Z: 10 5.775 1.747 0.456 0.263 0.778 0.444 N 1.275 4 residues pruned to eliminate duplicates Z: 12 23.159 1.888 0.845 0.913 1.000 0.909 CA 1.419 12 residues pruned to eliminate duplicates Z: 8 5.262 1.766 0.216 0.285 0.857 0.571 N 1.376 8 residues pruned to eliminate duplicates Z: 17 31.709 1.951 0.772 0.889 1.000 0.562 N 1.651 17 residues pruned to eliminate duplicates Z: 16 15.397 1.948 0.267 0.868 1.000 0.867 CA 1.178 16 residues pruned to eliminate duplicates Z: 18 17.814 1.720 0.414 0.793 1.000 0.706 CA 1.374 18 residues pruned to eliminate duplicates Z: 17 18.388 1.878 0.526 0.820 1.000 0.750 CA 1.215 17 residues pruned to eliminate duplicates Z: 29 22.681 1.996 0.502 0.618 0.929 0.607 CB 1.377 29 residues pruned to eliminate duplicates Z: 6 2.525 1.360 0.205 0.298 0.800 0.400 O 1.079 Z: 13 17.205 1.874 0.865 0.885 0.833 0.500 CB 1.231 15 residues pruned to eliminate duplicates Z: 16 9.688 1.721 0.612 0.340 0.733 0.333 CB 1.464 16 residues pruned to eliminate duplicates Z: 10 14.388 1.723 0.478 0.863 1.000 1.000 CB 1.382 10 residues pruned to eliminate duplicates Z: 8 9.442 1.784 0.469 0.807 0.857 0.571 N 1.215 8 residues pruned to eliminate duplicates Z: 18 19.329 1.780 0.513 0.807 1.000 0.765 CB 1.331 18 residues pruned to eliminate duplicates Z: 7 2.942 1.614 0.102 0.375 0.667 0.333 CA 1.158 Z: 12 10.858 1.677 0.265 0.777 0.909 0.818 CB 1.329 12 residues pruned to eliminate duplicates Z: 7 6.670 1.534 0.244 0.886 1.000 1.000 CA 1.030 Z: 7 2.655 1.286 0.577 0.373 1.000 0.333 N 0.612 Z: 31 10.894 1.756 0.479 0.372 0.833 0.467 CA 1.055 34 residues pruned to eliminate duplicates Z: 24 13.031 1.819 0.582 0.351 0.826 0.565 CB 1.342 23 residues pruned to eliminate duplicates Z: 9 7.749 1.791 0.345 0.558 1.000 0.625 CA 1.075 9 residues pruned to eliminate duplicates Z: 8 6.891 1.724 0.156 0.908 1.000 1.000 CB 0.929 Z: 7 3.514 1.378 0.596 0.436 0.667 0.167 CA 1.046 7 residues pruned to eliminate duplicates Z: 15 8.940 1.765 0.295 0.412 0.857 0.357 CB 1.337 9 residues pruned to eliminate duplicates Z: 9 5.992 1.375 0.580 0.729 0.875 0.625 CB 0.906 8 residues pruned to eliminate duplicates Z: 6 2.854 1.570 0.115 0.292 0.800 0.400 CB 1.151 Z: 6 5.361 1.878 -0.045 0.575 1.000 0.600 CB 1.244 Z: 17 7.034 1.729 0.556 0.425 0.688 0.500 CB 1.028 17 residues pruned to eliminate duplicates Z: 8 6.103 1.468 0.666 0.766 1.000 0.857 CB 0.745 8 residues pruned to eliminate duplicates Z: 13 9.090 1.720 0.333 0.671 0.917 0.583 CB 1.066 13 residues pruned to eliminate duplicates Z: 17 20.749 1.812 0.839 0.918 1.000 0.625 CB 1.097 17 residues pruned to eliminate duplicates Z: 10 3.168 1.462 0.715 0.411 0.556 0.333 CB 0.832 Z: 12 11.234 1.751 0.295 0.809 1.000 0.818 CB 1.141 12 residues pruned to eliminate duplicates Z: 50 27.938 2.047 0.685 0.502 0.837 0.551 CB 1.379 50 residues pruned to eliminate duplicates Z: 7 12.024 1.872 0.629 0.882 1.000 0.833 CB 1.165 7 residues pruned to eliminate duplicates Z: 12 5.581 1.542 0.271 0.508 0.909 0.545 CB 0.937 Z: 6 3.409 1.292 0.382 0.578 0.800 0.600 CB 0.990 Z: 8 2.956 1.380 0.281 0.406 0.714 0.286 N 0.976 Z: 8 7.709 1.631 0.019 0.869 1.000 0.571 N 1.282 8 residues pruned to eliminate duplicates Z: 6 5.203 1.514 0.547 0.728 0.800 0.400 CB 1.011 6 residues pruned to eliminate duplicates Z: 8 3.146 1.583 0.572 0.808 0.714 0.286 CB 0.511 Z: 18 21.485 1.754 0.674 0.786 1.000 0.765 CB 1.380 17 residues pruned to eliminate duplicates Z: 6 4.768 1.568 -0.036 0.657 1.000 0.800 CB 1.219 Z: 8 7.450 1.675 -0.082 0.822 1.000 0.857 CB 1.385 8 residues pruned to eliminate duplicates 6 1.849 1.631 0.127 0.513 0.600 0.400 CB 0.740 ? Z: 11 13.319 1.783 0.446 0.870 1.000 0.900 CB 1.193 11 residues pruned to eliminate duplicates Z: 6 4.200 1.446 0.238 0.637 0.800 0.600 CB 1.154 Z: 13 16.338 1.874 0.736 0.862 0.917 0.667 CB 1.161 13 residues pruned to eliminate duplicates Z: 15 12.463 1.985 0.527 0.459 0.857 0.571 CB 1.338 15 residues pruned to eliminate duplicates Z: 17 20.647 1.908 0.444 0.827 0.938 0.625 CA 1.506 17 residues pruned to eliminate duplicates Z: 6 4.666 1.461 0.837 0.811 0.600 0.600 CB 0.988 Z: 9 3.885 1.662 0.230 0.516 0.750 0.375 CB 0.882 5 residues pruned to eliminate duplicates Z: 16 15.405 1.890 0.403 0.838 1.000 0.933 CA 1.122 16 residues pruned to eliminate duplicates Z: 20 26.316 2.218 0.536 0.676 0.947 0.789 CA 1.591 21 residues pruned to eliminate duplicates Z: 7 4.610 1.759 0.156 0.439 0.833 0.500 CB 1.184 6 1.518 1.440 0.154 0.608 0.800 0.400 CB 0.461 ? Z: 7 6.507 1.483 0.715 0.790 1.000 0.833 N 0.810 Z: 6 3.494 1.521 0.192 0.749 0.800 0.800 CB 0.863 6 residues pruned to eliminate duplicates Z: 17 8.027 1.645 0.321 0.322 0.875 0.500 CB 1.284 17 residues pruned to eliminate duplicates Z: 6 6.706 1.686 0.150 0.625 1.000 1.000 O 1.375 Z: 8 5.090 1.576 0.051 0.550 1.000 0.714 N 1.106 Z: 8 9.841 1.649 0.606 0.855 1.000 0.857 CB 1.037 8 residues pruned to eliminate duplicates Z: 10 8.962 1.570 0.760 0.862 1.000 0.667 CB 0.794 10 residues pruned to eliminate duplicates Z: 13 14.837 1.872 0.527 0.821 0.833 0.750 CB 1.361 13 residues pruned to eliminate duplicates Z: 13 4.647 1.525 0.404 0.365 0.667 0.250 CB 1.086 13 residues pruned to eliminate duplicates Z: 17 17.242 1.774 0.466 0.751 0.938 0.688 CB 1.414 17 residues pruned to eliminate duplicates 9 1.693 1.401 0.480 0.207 0.500 0.375 O 0.816 ? Z: 8 9.932 1.844 0.187 0.690 1.000 0.857 CA 1.441 8 residues pruned to eliminate duplicates Z: 16 21.823 1.869 0.515 0.905 1.000 0.933 CA 1.417 16 residues pruned to eliminate duplicates Z: 20 10.299 1.781 0.320 0.446 0.842 0.368 CB 1.262 18 residues pruned to eliminate duplicates Z: 7 4.389 1.665 0.374 0.382 0.833 0.500 N 1.065 Z: 9 8.617 1.657 0.320 0.789 0.875 0.625 CB 1.234 9 residues pruned to eliminate duplicates Z: 25 12.508 1.988 0.245 0.325 0.917 0.458 CB 1.364 25 residues pruned to eliminate duplicates Z: 16 19.887 1.709 0.686 0.830 1.000 0.667 CB 1.341 16 residues pruned to eliminate duplicates Z: 6 3.636 1.750 -0.048 0.410 1.000 0.800 CB 1.072 6 residues pruned to eliminate duplicates Z: 10 7.985 1.812 0.328 0.876 0.889 0.778 CA 0.905 10 residues pruned to eliminate duplicates Z: 24 10.990 1.745 0.478 0.424 0.913 0.435 CB 1.054 12 residues pruned to eliminate duplicates Z: 7 2.498 1.449 0.225 0.307 0.833 0.500 CB 0.854 Z: 9 4.700 1.591 0.608 0.291 0.625 0.250 CB 1.314 9 residues pruned to eliminate duplicates Z: 16 20.237 1.796 0.686 0.896 1.000 0.933 CA 1.237 16 residues pruned to eliminate duplicates Z: 7 6.914 1.599 0.547 0.523 1.000 0.667 CA 1.115 6 residues pruned to eliminate duplicates Z: 8 3.192 1.524 0.304 0.484 0.857 0.571 CB 0.720 Z: 11 2.688 1.507 0.016 0.409 0.900 0.300 CB 0.679 11 residues pruned to eliminate duplicates Z: 8 10.466 1.612 0.910 0.846 1.000 0.857 CB 0.954 8 residues pruned to eliminate duplicates Z: 17 22.981 1.866 0.588 0.903 1.000 0.875 CB 1.383 17 residues pruned to eliminate duplicates Z: 6 4.547 1.529 0.534 0.829 0.800 0.600 CB 0.816 6 residues pruned to eliminate duplicates Z: 12 13.099 1.815 0.590 0.771 1.000 0.727 CB 1.077 12 residues pruned to eliminate duplicates Z: 7 6.473 1.861 0.632 0.638 1.000 1.000 CB 0.765 7 residues pruned to eliminate duplicates Z: 7 5.904 2.002 0.399 0.343 1.000 0.667 CB 1.021 7 residues pruned to eliminate duplicates Z: 6 6.031 1.703 0.682 0.785 0.800 0.800 CB 0.916 10 residues pruned to eliminate duplicates Z: 15 12.842 1.804 0.427 0.874 0.857 0.857 CB 1.132 15 residues pruned to eliminate duplicates Z: 7 4.337 1.712 0.453 0.525 0.833 0.500 CB 0.834 Z: 6 4.797 1.614 0.324 0.822 0.800 0.800 CA 0.949 6 residues pruned to eliminate duplicates Z: 18 10.062 1.763 0.804 0.289 0.824 0.706 CB 1.181 16 residues pruned to eliminate duplicates Z: 13 4.955 1.534 0.590 0.315 0.750 0.417 CB 0.960 13 residues pruned to eliminate duplicates Z: 12 4.819 1.772 0.453 0.259 0.818 0.727 CB 0.909 10 residues pruned to eliminate duplicates Z: 13 13.041 1.728 0.331 0.879 1.000 0.750 CA 1.186 13 residues pruned to eliminate duplicates Z: 31 12.750 1.850 0.375 0.415 0.867 0.567 CB 1.155 31 residues pruned to eliminate duplicates Z: 14 8.373 1.707 0.549 0.328 0.846 0.462 CB 1.254 14 residues pruned to eliminate duplicates Z: 16 18.298 2.016 0.696 0.577 1.000 0.733 CB 1.283 24 residues pruned to eliminate duplicates Z: 15 8.564 1.735 0.479 0.386 0.857 0.643 CB 1.174 14 residues pruned to eliminate duplicates Z: 12 7.671 1.602 0.287 0.768 1.000 0.636 CA 0.885 13 residues pruned to eliminate duplicates Z: 12 5.891 1.602 0.818 0.211 0.818 0.455 CB 1.049 6 residues pruned to eliminate duplicates Z: 11 6.529 1.557 0.466 0.320 0.900 0.600 CB 1.227 8 residues pruned to eliminate duplicates Z: 15 24.751 1.914 0.580 0.922 1.000 0.857 CB 1.539 15 residues pruned to eliminate duplicates Z: 17 26.809 1.879 0.695 0.920 1.000 0.875 CB 1.482 17 residues pruned to eliminate duplicates Z: 7 5.322 1.747 0.401 0.491 0.667 0.500 CA 1.343 Z: 15 14.145 1.919 0.708 0.443 0.929 0.714 CA 1.317 15 residues pruned to eliminate duplicates Z: 17 9.025 1.826 0.342 0.386 0.750 0.500 CA 1.387 17 residues pruned to eliminate duplicates Z: 14 10.431 1.628 0.398 0.675 0.846 0.692 CA 1.279 14 residues pruned to eliminate duplicates Z: 7 9.005 1.543 0.487 0.855 1.000 0.833 CA 1.182 6 residues pruned to eliminate duplicates Z: 11 14.144 1.727 0.399 0.875 1.000 0.900 CB 1.346 11 residues pruned to eliminate duplicates Z: 18 23.209 1.805 0.699 0.804 0.941 0.412 N 1.496 18 residues pruned to eliminate duplicates Z: 17 8.168 1.698 0.277 0.367 0.875 0.562 N 1.242 17 residues pruned to eliminate duplicates Z: 18 29.448 1.850 0.980 0.904 0.941 0.647 CB 1.476 18 residues pruned to eliminate duplicates Z: 8 2.799 1.688 0.644 0.880 1.000 0.857 CB 0.276 Z: 6 5.692 1.593 0.572 0.619 0.800 0.600 N 1.136 Z: 18 9.320 1.691 0.268 0.570 0.882 0.647 CB 1.116 17 residues pruned to eliminate duplicates Z: 6 3.731 1.376 0.588 0.279 0.800 0.400 O 1.224 7 1.894 1.469 0.241 0.268 0.833 0.333 CB 0.663 ? Z: 17 31.666 1.886 0.880 0.923 1.000 0.688 CA 1.568 17 residues pruned to eliminate duplicates Z: 6 8.007 1.633 0.385 0.857 1.000 0.800 CA 1.167 6 residues pruned to eliminate duplicates 6 1.445 1.523 0.461 0.695 0.800 0.800 CB 0.304 ? Z: 20 14.920 1.944 0.669 0.358 0.947 0.579 CB 1.297 20 residues pruned to eliminate duplicates Z: 9 18.575 1.978 0.462 0.889 1.000 0.875 C 1.635 9 residues pruned to eliminate duplicates Z: 30 15.547 1.770 0.448 0.430 0.897 0.621 CB 1.351 33 residues pruned to eliminate duplicates Z: 9 14.901 1.964 0.650 0.857 1.000 0.750 CB 1.198 10 residues pruned to eliminate duplicates Z: 12 3.493 1.635 0.433 0.322 0.727 0.364 CB 0.752 10 residues pruned to eliminate duplicates Z: 6 2.127 1.486 -0.090 0.439 0.600 0.400 CB 1.247 Z: 13 12.916 1.669 0.502 0.879 1.000 0.833 CB 1.078 13 residues pruned to eliminate duplicates Z: 8 5.920 1.308 0.631 0.701 1.000 0.571 CB 0.873 Z: 22 14.343 1.816 0.229 0.723 0.952 0.714 CA 1.204 22 residues pruned to eliminate duplicates Z: 10 3.311 1.660 -0.026 0.789 0.889 0.778 CB 0.596 10 residues pruned to eliminate duplicates Z: 7 3.708 1.718 0.134 0.333 0.667 0.667 CB 1.400 7 residues pruned to eliminate duplicates Z: 22 18.976 1.688 0.887 0.649 0.857 0.524 N 1.320 22 residues pruned to eliminate duplicates Z: 11 6.138 1.608 0.241 0.587 0.900 0.600 CB 0.994 12 residues pruned to eliminate duplicates Z: 16 8.430 1.607 0.433 0.390 0.867 0.533 N 1.225 21 residues pruned to eliminate duplicates Z: 21 10.471 1.893 0.492 0.331 0.850 0.450 CB 1.173 21 residues pruned to eliminate duplicates Z: 24 11.373 1.805 0.571 0.361 0.826 0.565 CB 1.175 25 residues pruned to eliminate duplicates Z: 9 12.385 1.867 0.424 0.823 0.875 0.500 CB 1.423 13 residues pruned to eliminate duplicates Z: 8 4.598 1.657 0.243 0.501 0.857 0.857 N 0.983 8 residues pruned to eliminate duplicates Z: 12 2.943 1.698 0.170 0.134 0.818 0.636 CB 0.861 12 residues pruned to eliminate duplicates Z: 6 4.303 1.385 0.094 0.640 1.000 0.800 CA 1.115 Z: 15 13.033 2.083 0.495 0.303 0.929 0.429 CB 1.500 15 residues pruned to eliminate duplicates Z: 11 10.359 1.701 0.148 0.773 1.000 0.500 CB 1.318 11 residues pruned to eliminate duplicates Z: 9 3.470 1.443 0.135 0.342 0.875 0.375 CB 1.017 Z: 6 3.069 1.451 0.609 0.295 0.600 0.600 O 1.232 Z: 9 10.638 1.585 0.785 0.775 1.000 0.625 CB 1.042 9 residues pruned to eliminate duplicates Z: 8 5.082 1.777 -0.044 0.509 1.000 0.714 CB 1.120 Z: 6 2.883 1.601 1.082 0.402 0.600 0.600 CB 0.715 6 residues pruned to eliminate duplicates 7 1.246 1.728 1.066 0.865 1.000 0.667 CB 0.104 ? Z: 17 6.227 1.543 0.369 0.311 0.875 0.438 CA 1.039 17 residues pruned to eliminate duplicates Z: 12 7.501 1.735 0.585 0.418 0.818 0.636 CB 1.095 9 residues pruned to eliminate duplicates Z: 14 12.212 1.639 0.462 0.861 1.000 0.615 CB 1.039 10 residues pruned to eliminate duplicates Z: 17 8.680 1.685 0.721 0.483 0.812 0.688 CB 0.936 16 residues pruned to eliminate duplicates Z: 17 12.578 2.014 0.292 0.365 0.938 0.625 CB 1.490 17 residues pruned to eliminate duplicates Z: 8 3.406 1.548 0.030 0.438 0.857 0.429 CB 1.003 Z: 6 2.538 1.373 0.207 0.416 0.800 0.400 CB 0.934 Z: 8 5.222 1.709 0.406 0.383 0.857 0.571 CB 1.086 6 residues pruned to eliminate duplicates Z: 12 12.630 1.711 0.555 0.899 1.000 0.727 CB 1.023 12 residues pruned to eliminate duplicates Z: 21 9.472 1.823 0.443 0.358 0.800 0.450 CB 1.172 21 residues pruned to eliminate duplicates Z: 12 6.764 1.636 0.270 0.835 1.000 0.727 CB 0.736 12 residues pruned to eliminate duplicates Z: 7 2.279 1.194 0.923 0.367 0.667 0.500 CB 0.701 Z: 10 5.351 1.748 0.104 0.438 0.778 0.444 CB 1.268 10 residues pruned to eliminate duplicates Z: 8 3.637 1.851 0.226 0.341 0.714 0.571 CB 1.009 8 residues pruned to eliminate duplicates Z: 19 8.025 1.801 0.228 0.316 0.778 0.444 CB 1.348 19 residues pruned to eliminate duplicates Z: 11 10.924 1.935 0.304 0.784 0.900 0.600 CB 1.185 20 residues pruned to eliminate duplicates Z: 15 19.495 1.832 0.610 0.893 1.000 0.714 CB 1.268 15 residues pruned to eliminate duplicates Z: 9 4.464 1.297 0.319 0.682 1.000 0.750 CB 0.781 9 residues pruned to eliminate duplicates Z: 6 3.842 1.679 0.680 0.418 0.800 0.800 CB 0.830 Z: 8 6.000 1.504 0.350 0.714 1.000 0.714 CB 0.920 8 residues pruned to eliminate duplicates Z: 13 9.439 1.689 0.540 0.411 0.833 0.750 CB 1.379 13 residues pruned to eliminate duplicates Z: 12 14.908 1.974 0.189 0.909 1.000 0.818 CA 1.359 12 residues pruned to eliminate duplicates Z: 15 8.538 1.735 0.311 0.337 0.857 0.571 CB 1.399 15 residues pruned to eliminate duplicates Z: 15 5.435 1.602 0.197 0.472 0.786 0.571 CB 0.992 16 residues pruned to eliminate duplicates Z: 7 4.133 1.702 0.325 0.248 0.667 0.500 N 1.499 Z: 16 12.600 1.832 0.111 0.876 0.933 0.800 CA 1.244 16 residues pruned to eliminate duplicates Z: 15 13.524 1.556 0.793 0.873 0.929 0.714 CB 1.016 8 residues pruned to eliminate duplicates Z: 17 25.931 1.812 0.883 0.913 0.938 0.750 CA 1.434 17 residues pruned to eliminate duplicates Z: 11 7.611 1.546 0.872 0.553 0.700 0.500 CB 1.128 11 residues pruned to eliminate duplicates Z: 8 5.622 1.726 0.115 0.721 0.857 0.429 CB 1.055 5 residues pruned to eliminate duplicates Z: 9 5.761 1.569 0.460 0.491 0.750 0.500 CB 1.197 9 residues pruned to eliminate duplicates Z: 13 8.064 1.725 0.530 0.421 1.000 0.667 CB 0.958 13 residues pruned to eliminate duplicates Z: 12 10.717 1.787 0.116 0.870 0.909 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 16 13.586 1.882 0.634 0.619 0.867 0.800 CB 1.176 16 residues pruned to eliminate duplicates Z: 10 4.300 1.717 0.402 0.240 0.778 0.667 CB 1.035 10 residues pruned to eliminate duplicates Z: 10 3.104 1.267 0.094 0.573 0.889 0.778 CB 0.782 10 residues pruned to eliminate duplicates Z: 6 4.987 1.718 0.250 0.546 0.800 0.200 O 1.241 Z: 20 14.972 1.854 0.410 0.640 0.947 0.684 CB 1.217 20 residues pruned to eliminate duplicates Z: 9 3.489 1.436 0.305 0.508 0.625 0.625 CA 1.045 9 residues pruned to eliminate duplicates Z: 18 13.926 1.740 0.775 0.443 0.882 0.529 N 1.314 18 residues pruned to eliminate duplicates Z: 7 6.046 1.758 0.155 0.656 1.000 1.000 N 1.051 7 residues pruned to eliminate duplicates Z: 31 10.975 1.920 0.197 0.395 0.833 0.567 CB 1.168 31 residues pruned to eliminate duplicates Z: 20 18.569 1.898 0.496 0.723 0.947 0.789 CB 1.295 28 residues pruned to eliminate duplicates Z: 19 22.194 1.928 0.554 0.571 0.944 0.500 CB 1.727 19 residues pruned to eliminate duplicates Z: 6 2.019 1.277 -0.010 0.665 1.000 0.800 N 0.613 Z: 12 12.239 1.799 0.613 0.831 0.909 0.727 CB 1.051 11 residues pruned to eliminate duplicates Z: 8 2.829 1.274 0.833 0.335 0.714 0.286 N 0.768 Z: 17 20.007 1.723 0.774 0.750 1.000 0.688 CB 1.309 17 residues pruned to eliminate duplicates Z: 6 2.813 1.549 0.369 0.101 1.000 0.400 N 0.986 Z: 8 4.075 1.667 0.206 0.694 0.714 0.571 CB 0.898 Z: 7 5.595 1.327 0.551 0.543 1.000 0.667 O 1.064 Z: 12 12.538 1.893 0.298 0.788 0.909 0.727 CA 1.314 12 residues pruned to eliminate duplicates Z: 52 17.813 1.902 0.482 0.323 0.843 0.490 CB 1.275 52 residues pruned to eliminate duplicates Z: 11 10.667 1.828 0.272 0.781 0.900 0.900 CB 1.259 11 residues pruned to eliminate duplicates Z: 9 12.660 1.849 0.465 0.882 1.000 0.875 CB 1.195 9 residues pruned to eliminate duplicates Z: 9 2.679 1.351 0.253 0.412 0.875 0.500 N 0.701 Z: 9 3.506 1.281 0.588 0.358 0.750 0.250 N 0.947 Z: 38 14.597 1.893 0.474 0.355 0.811 0.541 CB 1.241 38 residues pruned to eliminate duplicates Z: 25 4.863 1.560 0.185 0.285 0.750 0.458 CB 0.912 25 residues pruned to eliminate duplicates Z: 9 14.264 1.949 0.590 0.872 1.000 0.750 CB 1.186 9 residues pruned to eliminate duplicates Z: 10 10.848 1.824 0.357 0.854 1.000 0.778 CB 1.078 10 residues pruned to eliminate duplicates Z: 15 6.416 1.614 0.152 0.515 0.929 0.429 CB 0.978 15 residues pruned to eliminate duplicates Z: 11 6.561 1.550 0.346 0.468 0.900 0.600 N 1.142 6 residues pruned to eliminate duplicates Z: 9 4.110 1.362 0.386 0.450 0.750 0.500 CB 1.080 Z: 12 10.778 1.794 0.469 0.885 1.000 0.636 CB 0.890 12 residues pruned to eliminate duplicates Z: 11 12.381 1.715 0.408 0.832 0.900 0.900 CB 1.353 11 residues pruned to eliminate duplicates Z: 6 5.569 1.253 0.741 0.771 1.000 0.600 CB 0.899 Z: 10 12.728 1.921 0.354 0.876 1.000 0.889 CB 1.186 10 residues pruned to eliminate duplicates Z: 7 2.706 1.421 0.134 0.550 0.667 0.500 CB 0.980 7 residues pruned to eliminate duplicates Z: 9 6.919 1.459 0.623 0.594 0.875 0.625 CA 1.079 Z: 19 11.709 1.695 0.626 0.498 0.833 0.389 CB 1.205 18 residues pruned to eliminate duplicates Z: 8 3.349 1.276 0.378 0.352 0.857 0.571 N 0.986 Z: 9 4.876 1.588 0.516 0.480 0.875 0.750 CB 0.835 Z: 13 10.659 1.923 0.711 0.737 0.833 0.583 CB 0.908 13 residues pruned to eliminate duplicates Z: 9 8.469 1.893 0.684 0.512 0.875 0.875 CB 1.061 9 residues pruned to eliminate duplicates Z: 6 2.728 1.188 0.304 0.713 0.800 0.600 CB 0.812 Z: 6 2.666 1.721 0.665 0.755 0.800 0.400 CB 0.414 Z: 7 2.352 1.468 0.549 0.362 0.667 0.667 CB 0.734 Z: 15 7.827 1.567 0.611 0.424 0.786 0.500 CB 1.142 21 residues pruned to eliminate duplicates Z: 12 9.087 1.564 0.989 0.681 0.818 0.636 CB 0.911 12 residues pruned to eliminate duplicates Z: 6 4.285 1.634 0.567 0.350 1.000 1.000 CB 0.880 Z: 6 4.276 1.466 0.137 0.586 0.800 0.400 CA 1.321 Z: 10 6.533 1.497 0.762 0.562 0.889 0.667 CA 0.875 7 residues pruned to eliminate duplicates Z: 10 7.750 1.571 0.091 0.673 1.000 0.889 CB 1.285 10 residues pruned to eliminate duplicates Z: 8 2.635 1.284 -0.023 0.376 1.000 0.571 O 0.906 Z: 11 17.824 2.032 0.356 0.872 1.000 0.700 CB 1.490 11 residues pruned to eliminate duplicates Z: 15 14.791 1.902 0.715 0.555 0.786 0.500 CB 1.462 15 residues pruned to eliminate duplicates Z: 7 3.187 1.519 0.403 0.457 0.667 0.167 CB 0.957 Z: 6 2.485 1.309 0.557 0.385 0.800 0.400 CB 0.770 Z: 9 2.849 1.283 0.862 0.126 0.625 0.125 N 1.078 Using tripeptides from previous cycle as seeds Z: 6 4.485 1.649 0.340 0.438 0.800 0.400 CB 1.210 7 residues pruned to eliminate duplicates Z: 6 4.005 1.525 0.407 0.421 0.800 0.600 N 1.134 7 residues pruned to eliminate duplicates Z: 7 2.743 1.268 0.680 0.420 0.667 0.333 CB 0.858 7 residues pruned to eliminate duplicates Z: 18 8.066 1.588 0.553 0.389 0.824 0.529 CB 1.083 22 residues pruned to eliminate duplicates 6 0.951 1.404 0.670 0.559 0.800 0.800 CB 0.214 ? Z: 8 4.924 1.434 0.376 0.610 1.000 0.429 CB 0.850 Z: 17 18.413 1.859 0.307 0.899 1.000 1.000 CA 1.354 17 residues pruned to eliminate duplicates Z: 18 16.384 1.877 0.421 0.785 0.824 0.765 CB 1.409 18 residues pruned to eliminate duplicates Z: 19 18.439 1.813 0.485 0.752 0.889 0.722 CB 1.450 19 residues pruned to eliminate duplicates Z: 16 24.543 1.940 0.636 0.858 0.933 0.800 CB 1.576 16 residues pruned to eliminate duplicates Z: 17 20.862 1.903 0.663 0.833 0.875 0.625 CB 1.414 17 residues pruned to eliminate duplicates Z: 13 19.925 1.904 0.723 0.885 0.917 0.667 CB 1.381 13 residues pruned to eliminate duplicates Z: 18 22.979 1.883 0.713 0.794 0.882 0.706 CB 1.514 18 residues pruned to eliminate duplicates Z: 17 25.332 1.920 0.778 0.835 0.938 0.750 CB 1.483 17 residues pruned to eliminate duplicates Z: 17 24.590 1.939 0.641 0.846 0.938 0.812 CB 1.531 17 residues pruned to eliminate duplicates Z: 17 23.942 1.934 0.647 0.847 0.938 0.750 CB 1.489 17 residues pruned to eliminate duplicates Z: 18 22.084 1.821 0.682 0.829 0.882 0.706 CB 1.491 18 residues pruned to eliminate duplicates Z: 18 17.941 1.861 0.718 0.748 0.765 0.529 CB 1.426 18 residues pruned to eliminate duplicates Z: 18 25.064 1.880 0.824 0.803 0.882 0.706 CB 1.542 18 residues pruned to eliminate duplicates Z: 17 26.483 1.934 0.838 0.826 0.938 0.750 CB 1.499 17 residues pruned to eliminate duplicates Z: 20 22.857 1.643 1.019 0.849 0.947 0.789 CB 1.237 18 residues pruned to eliminate duplicates Z: 10 11.234 1.855 0.242 0.873 0.889 0.778 CB 1.332 10 residues pruned to eliminate duplicates Z: 12 9.046 1.846 0.135 0.790 0.909 0.727 CB 1.110 12 residues pruned to eliminate duplicates Z: 11 8.378 1.894 0.024 0.779 0.800 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 9 10.124 1.940 0.073 0.896 1.000 0.875 CB 1.231 9 residues pruned to eliminate duplicates Z: 12 10.439 1.818 0.199 0.791 0.818 0.545 CB 1.366 12 residues pruned to eliminate duplicates Z: 11 13.162 1.870 0.335 0.861 1.000 0.700 CB 1.225 11 residues pruned to eliminate duplicates Z: 10 12.419 1.921 0.351 0.797 0.889 0.667 CB 1.384 10 residues pruned to eliminate duplicates Z: 13 10.960 1.761 0.572 0.684 0.917 0.583 CB 1.053 13 residues pruned to eliminate duplicates Z: 13 13.701 1.779 0.481 0.694 0.917 0.500 CB 1.372 12 residues pruned to eliminate duplicates Z: 7 16.710 1.976 1.034 0.886 1.000 0.667 CA 1.225 Z: 8 11.566 1.718 0.880 0.827 0.857 0.714 CB 1.190 8 residues pruned to eliminate duplicates Z: 7 15.916 1.977 0.925 0.860 1.000 0.667 CA 1.255 7 residues pruned to eliminate duplicates Z: 17 14.420 1.980 0.589 0.599 0.938 0.688 CB 1.112 17 residues pruned to eliminate duplicates Z: 7 13.540 1.776 0.698 0.723 1.000 1.000 CA 1.498 7 residues pruned to eliminate duplicates Z: 7 10.553 1.782 0.424 0.727 1.000 1.000 CA 1.384 7 residues pruned to eliminate duplicates Z: 8 8.130 1.654 0.241 0.561 1.000 0.571 N 1.412 8 residues pruned to eliminate duplicates Z: 7 5.366 1.685 0.647 0.405 0.833 0.667 CB 1.047 7 residues pruned to eliminate duplicates Z: 8 8.731 1.672 0.594 0.486 0.857 0.714 N 1.466 8 residues pruned to eliminate duplicates Z: 12 8.195 1.567 0.306 0.844 1.000 0.909 CB 0.899 12 residues pruned to eliminate duplicates Z: 12 7.069 1.653 0.323 0.695 0.909 0.455 CB 0.898 11 residues pruned to eliminate duplicates Z: 13 8.943 1.608 0.335 0.715 1.000 0.583 CB 0.990 12 residues pruned to eliminate duplicates Z: 13 8.178 1.529 0.544 0.700 0.833 0.583 CB 1.000 13 residues pruned to eliminate duplicates Z: 12 9.665 1.698 0.485 0.705 1.000 0.455 CB 0.960 12 residues pruned to eliminate duplicates Z: 6 6.146 1.679 0.756 0.645 1.000 0.400 CB 0.814 6 residues pruned to eliminate duplicates Z: 13 7.642 1.587 0.567 0.714 0.833 0.667 CB 0.877 13 residues pruned to eliminate duplicates Z: 10 6.453 1.650 0.574 0.399 0.889 0.667 CB 1.036 10 residues pruned to eliminate duplicates Z: 9 8.095 1.557 0.646 0.787 1.000 0.750 CB 0.867 8 residues pruned to eliminate duplicates Z: 6 3.196 1.555 0.329 0.600 0.800 0.200 CB 0.786 6 residues pruned to eliminate duplicates Z: 8 9.171 1.554 0.478 0.871 1.000 0.714 CB 1.101 7 residues pruned to eliminate duplicates Z: 8 8.645 1.674 0.898 0.742 1.000 0.571 CB 0.828 8 residues pruned to eliminate duplicates Z: 7 7.049 1.894 0.364 0.619 1.000 0.333 CB 0.996 7 residues pruned to eliminate duplicates Z: 6 8.699 1.927 0.629 0.735 1.000 0.400 CB 1.003 6 residues pruned to eliminate duplicates Z: 7 6.900 1.811 0.581 0.514 1.000 0.333 CB 0.971 6 residues pruned to eliminate duplicates Z: 8 10.857 1.706 0.361 0.866 1.000 0.286 CB 1.294 9 residues pruned to eliminate duplicates Z: 17 20.537 1.830 0.508 0.734 0.938 0.625 C 1.609 17 residues pruned to eliminate duplicates Z: 11 7.638 1.568 0.336 0.332 1.000 0.500 N 1.385 11 residues pruned to eliminate duplicates Z: 13 6.859 1.701 0.107 0.327 1.000 0.583 CB 1.272 13 residues pruned to eliminate duplicates Z: 17 20.251 1.941 0.497 0.638 0.938 0.750 CB 1.633 17 residues pruned to eliminate duplicates Z: 20 19.210 1.858 0.687 0.589 0.895 0.737 CB 1.443 20 residues pruned to eliminate duplicates Z: 19 17.612 1.917 0.420 0.525 0.944 0.722 N 1.575 19 residues pruned to eliminate duplicates Z: 13 15.199 1.818 0.672 0.668 0.917 0.500 CB 1.348 13 residues pruned to eliminate duplicates Z: 20 17.166 1.810 0.683 0.534 0.895 0.474 CB 1.397 20 residues pruned to eliminate duplicates Z: 21 16.863 1.796 0.613 0.543 0.900 0.550 CB 1.386 21 residues pruned to eliminate duplicates Z: 13 21.354 1.988 0.677 0.659 1.000 0.833 CB 1.596 13 residues pruned to eliminate duplicates Z: 20 17.855 1.859 0.557 0.544 0.895 0.684 CB 1.514 20 residues pruned to eliminate duplicates Z: 20 16.065 1.837 0.501 0.543 0.895 0.632 CB 1.431 20 residues pruned to eliminate duplicates Z: 21 20.647 1.803 0.552 0.694 1.000 0.550 CB 1.382 21 residues pruned to eliminate duplicates Z: 32 18.056 1.695 0.632 0.551 0.871 0.387 CB 1.281 53 residues pruned to eliminate duplicates Z: 23 22.047 1.825 0.682 0.637 0.955 0.409 CB 1.410 Z: 15 23.169 1.818 0.724 0.892 1.000 0.571 CB 1.419 15 residues pruned to eliminate duplicates Z: 25 21.754 1.827 0.607 0.627 0.917 0.667 CB 1.464 25 residues pruned to eliminate duplicates Z: 9 5.346 1.512 0.149 0.537 0.875 0.375 CB 1.199 9 residues pruned to eliminate duplicates Z: 10 6.861 1.812 0.349 0.330 0.778 0.222 N 1.449 10 residues pruned to eliminate duplicates Z: 10 4.661 1.802 -0.006 0.331 0.778 0.333 CB 1.342 10 residues pruned to eliminate duplicates Z: 10 10.273 1.864 0.622 0.511 0.778 0.333 CB 1.440 9 residues pruned to eliminate duplicates Z: 8 12.164 1.618 0.573 0.758 1.000 0.714 CB 1.436 7 residues pruned to eliminate duplicates Z: 8 10.423 1.584 0.670 0.740 0.857 0.714 N 1.401 8 residues pruned to eliminate duplicates Z: 8 3.677 1.526 0.191 0.415 0.857 0.429 CA 0.976 6 residues pruned to eliminate duplicates Z: 6 6.820 1.578 0.474 0.652 1.000 0.400 CA 1.138 8 residues pruned to eliminate duplicates Z: 6 5.235 1.541 0.063 0.762 1.000 0.600 CB 1.133 6 residues pruned to eliminate duplicates Z: 6 2.478 1.334 0.028 0.560 0.800 0.400 N 0.952 4 residues pruned to eliminate duplicates Z: 6 6.332 1.607 0.263 0.753 1.000 0.600 CA 1.114 6 residues pruned to eliminate duplicates Z: 6 8.095 1.631 0.376 0.830 1.000 0.800 CA 1.213 6 residues pruned to eliminate duplicates Z: 14 12.466 1.737 0.138 0.890 1.000 0.846 CB 1.259 14 residues pruned to eliminate duplicates Z: 13 13.215 1.779 0.222 0.828 1.000 0.750 CB 1.321 13 residues pruned to eliminate duplicates Z: 13 14.113 1.773 0.337 0.860 1.000 0.833 CB 1.264 23 residues pruned to eliminate duplicates Z: 13 13.910 1.737 0.309 0.808 1.000 0.583 CB 1.351 13 residues pruned to eliminate duplicates Z: 13 12.174 1.610 0.445 0.808 0.917 0.500 CB 1.259 13 residues pruned to eliminate duplicates Z: 13 12.950 1.734 0.334 0.802 1.000 0.500 CB 1.241 13 residues pruned to eliminate duplicates Z: 11 11.464 1.706 0.645 0.750 0.900 0.700 CB 1.149 11 residues pruned to eliminate duplicates Z: 11 10.749 1.699 0.590 0.722 0.900 0.700 CB 1.145 11 residues pruned to eliminate duplicates Z: 12 10.276 1.761 0.598 0.831 0.818 0.636 CB 1.011 12 residues pruned to eliminate duplicates Z: 13 11.493 1.794 0.348 0.805 0.833 0.583 CB 1.262 13 residues pruned to eliminate duplicates Z: 14 13.323 1.714 0.362 0.805 1.000 0.769 CB 1.213 14 residues pruned to eliminate duplicates Z: 13 13.887 1.717 0.561 0.850 0.917 0.917 CB 1.208 12 residues pruned to eliminate duplicates Z: 10 14.341 1.948 0.443 0.856 1.000 0.667 CB 1.254 10 residues pruned to eliminate duplicates Z: 12 10.929 1.834 0.448 0.702 0.818 0.455 CB 1.262 12 residues pruned to eliminate duplicates Z: 14 10.242 1.732 0.410 0.688 0.923 0.538 CB 1.061 14 residues pruned to eliminate duplicates Z: 11 13.114 1.828 0.578 0.727 0.900 0.700 CB 1.302 11 residues pruned to eliminate duplicates Z: 11 13.501 1.922 0.518 0.848 0.900 0.700 CB 1.206 11 residues pruned to eliminate duplicates Z: 10 14.277 1.935 0.605 0.801 1.000 0.556 CB 1.178 10 residues pruned to eliminate duplicates Z: 10 18.100 1.951 0.816 0.905 1.000 0.667 CB 1.212 10 residues pruned to eliminate duplicates Z: 10 13.905 1.928 0.637 0.859 0.889 0.444 CB 1.216 10 residues pruned to eliminate duplicates Z: 9 16.598 1.996 0.908 0.911 1.000 1.000 CB 1.093 9 residues pruned to eliminate duplicates Z: 7 5.878 1.599 0.194 0.602 1.000 0.333 CA 1.141 7 residues pruned to eliminate duplicates Z: 6 8.146 1.681 0.628 0.795 0.800 0.400 CB 1.285 6 residues pruned to eliminate duplicates Z: 7 4.141 1.536 0.402 0.411 0.833 0.500 CB 1.034 7 residues pruned to eliminate duplicates Z: 7 5.925 1.586 0.192 0.650 1.000 0.500 CA 1.113 7 residues pruned to eliminate duplicates Z: 8 6.664 1.480 0.459 0.713 0.857 0.429 CA 1.122 8 residues pruned to eliminate duplicates Z: 14 10.252 1.712 0.405 0.646 0.923 0.692 CB 1.117 14 residues pruned to eliminate duplicates Z: 15 9.555 1.687 0.322 0.684 0.786 0.500 CB 1.231 15 residues pruned to eliminate duplicates Z: 14 9.600 1.713 0.441 0.658 0.846 0.769 CB 1.100 14 residues pruned to eliminate duplicates Z: 13 8.481 1.698 0.322 0.716 0.833 0.750 CB 1.076 13 residues pruned to eliminate duplicates Z: 14 11.567 1.690 0.545 0.700 0.846 0.615 CB 1.210 14 residues pruned to eliminate duplicates Z: 14 12.187 1.738 0.525 0.725 1.000 0.615 CB 1.041 14 residues pruned to eliminate duplicates Z: 14 9.077 1.683 0.525 0.654 0.846 0.692 CB 1.004 14 residues pruned to eliminate duplicates Z: 13 10.416 1.793 0.650 0.681 0.833 0.500 CB 1.032 13 residues pruned to eliminate duplicates Z: 12 9.334 1.816 0.334 0.781 0.818 0.636 CB 1.108 12 residues pruned to eliminate duplicates Z: 11 9.962 1.693 0.200 0.835 0.900 0.700 N 1.291 Z: 8 10.063 1.694 0.199 0.863 1.000 1.000 CA 1.374 9 residues pruned to eliminate duplicates Z: 11 8.683 1.619 0.116 0.837 1.000 0.700 N 1.136 10 residues pruned to eliminate duplicates Z: 10 8.010 1.651 0.099 0.864 0.889 0.778 CB 1.214 10 residues pruned to eliminate duplicates Z: 8 5.342 1.553 0.334 0.498 0.857 0.714 CB 1.140 8 residues pruned to eliminate duplicates Z: 8 4.107 1.592 0.297 0.503 0.714 0.571 N 1.049 8 residues pruned to eliminate duplicates Z: 18 6.771 1.566 0.227 0.417 0.824 0.471 CB 1.131 18 residues pruned to eliminate duplicates Z: 17 7.821 1.674 0.189 0.457 0.875 0.625 CB 1.173 27 residues pruned to eliminate duplicates Z: 8 5.005 1.628 0.450 0.422 0.714 0.286 N 1.217 8 residues pruned to eliminate duplicates Z: 23 13.714 1.829 0.520 0.380 0.909 0.500 CB 1.315 23 residues pruned to eliminate duplicates Z: 16 12.338 1.787 0.406 0.424 1.000 0.533 CB 1.371 16 residues pruned to eliminate duplicates Z: 31 14.389 1.762 0.451 0.427 0.833 0.567 CB 1.331 31 residues pruned to eliminate duplicates Z: 14 10.341 1.794 0.482 0.417 0.923 0.846 CB 1.274 14 residues pruned to eliminate duplicates Z: 17 12.795 1.815 0.616 0.458 0.875 0.562 CB 1.301 17 residues pruned to eliminate duplicates Z: 24 15.018 1.737 0.515 0.411 0.957 0.739 CB 1.365 24 residues pruned to eliminate duplicates Z: 6 2.538 1.413 0.498 0.469 1.000 0.800 CA 0.554 6 residues pruned to eliminate duplicates Z: 22 15.780 1.834 0.624 0.474 0.905 0.524 CB 1.312 22 residues pruned to eliminate duplicates Z: 27 17.082 1.861 0.406 0.724 0.846 0.808 CB 1.236 27 residues pruned to eliminate duplicates Z: 26 17.856 1.858 0.540 0.644 0.880 0.680 CB 1.240 17 residues pruned to eliminate duplicates Z: 19 19.140 1.800 0.779 0.803 0.944 0.722 CB 1.145 19 residues pruned to eliminate duplicates Z: 17 20.934 1.909 0.697 0.846 0.875 0.812 CB 1.371 17 residues pruned to eliminate duplicates Z: 26 21.967 1.872 0.615 0.719 0.920 0.640 CB 1.296 25 residues pruned to eliminate duplicates Z: 16 25.186 1.864 0.982 0.913 0.933 0.867 CB 1.335 16 residues pruned to eliminate duplicates Z: 19 20.835 1.842 0.667 0.791 1.000 0.722 CB 1.239 19 residues pruned to eliminate duplicates Z: 16 24.510 1.951 0.881 0.873 0.867 0.800 CB 1.449 16 residues pruned to eliminate duplicates Z: 17 25.249 1.897 0.751 0.836 1.000 0.875 CB 1.422 17 residues pruned to eliminate duplicates Z: 17 26.249 1.894 0.948 0.870 0.938 0.625 CB 1.386 17 residues pruned to eliminate duplicates Z: 17 23.985 1.888 0.836 0.886 1.000 0.875 CB 1.248 18 residues pruned to eliminate duplicates Z: 13 21.972 1.793 0.898 0.878 1.000 0.833 CB 1.353 13 residues pruned to eliminate duplicates Z: 12 17.308 1.782 0.831 0.752 0.909 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 15 8.082 1.771 0.621 0.498 0.786 0.286 CB 0.959 15 residues pruned to eliminate duplicates Z: 13 5.358 1.682 0.189 0.414 0.833 0.333 CA 1.016 9 residues pruned to eliminate duplicates Z: 8 2.899 1.374 0.572 0.383 0.857 0.429 CB 0.671 11 residues pruned to eliminate duplicates Z: 7 6.549 1.631 0.378 0.820 1.000 0.667 CB 0.901 Z: 6 4.588 1.396 0.229 0.626 1.000 0.600 CA 1.062 Z: 7 6.070 1.577 0.373 0.514 1.000 1.000 CB 1.128 13 residues pruned to eliminate duplicates Z: 29 16.928 1.896 0.391 0.549 0.893 0.643 CB 1.295 29 residues pruned to eliminate duplicates Z: 25 22.692 2.012 0.711 0.613 0.875 0.667 CB 1.382 25 residues pruned to eliminate duplicates Z: 22 24.630 2.107 0.500 0.738 0.952 0.762 CB 1.442 26 residues pruned to eliminate duplicates Z: 19 25.861 1.970 0.523 0.844 0.944 0.778 CA 1.601 19 residues pruned to eliminate duplicates Z: 22 23.663 2.072 0.559 0.669 0.905 0.714 CA 1.511 25 residues pruned to eliminate duplicates Z: 20 19.777 1.913 0.429 0.765 0.895 0.684 CA 1.466 20 residues pruned to eliminate duplicates Z: 22 28.930 2.033 0.763 0.733 0.952 0.714 CB 1.500 22 residues pruned to eliminate duplicates Z: 24 23.662 2.045 0.750 0.673 0.913 0.783 CB 1.287 24 residues pruned to eliminate duplicates Z: 22 28.693 2.044 0.669 0.685 1.000 0.571 CB 1.549 22 residues pruned to eliminate duplicates Z: 23 29.677 2.031 0.657 0.793 0.955 0.682 CB 1.523 23 residues pruned to eliminate duplicates Z: 21 29.523 2.085 0.820 0.736 0.900 0.600 CB 1.563 21 residues pruned to eliminate duplicates Z: 21 28.584 2.084 0.893 0.688 0.900 0.650 CB 1.515 21 residues pruned to eliminate duplicates Z: 22 30.064 2.064 0.768 0.749 1.000 0.571 CB 1.439 23 residues pruned to eliminate duplicates Z: 20 21.649 1.954 0.412 0.843 0.895 0.579 CB 1.498 20 residues pruned to eliminate duplicates Z: 20 30.933 2.145 0.761 0.770 1.000 0.737 CB 1.479 20 residues pruned to eliminate duplicates Z: 23 25.842 2.065 0.642 0.766 0.955 0.545 CB 1.345 22 residues pruned to eliminate duplicates Z: 20 30.438 1.978 0.685 0.838 1.000 0.737 CB 1.566 20 residues pruned to eliminate duplicates Z: 23 25.305 1.964 0.669 0.721 0.955 0.636 CB 1.412 23 residues pruned to eliminate duplicates Z: 10 2.823 1.617 0.206 0.261 0.556 0.222 CB 1.141 Z: 6 3.187 1.418 0.671 0.489 0.800 0.600 CB 0.760 8 residues pruned to eliminate duplicates Z: 19 17.380 1.878 0.507 0.779 0.889 0.778 CB 1.273 27 residues pruned to eliminate duplicates Z: 16 15.445 1.962 0.363 0.675 0.933 0.733 CB 1.360 11 residues pruned to eliminate duplicates Z: 14 19.924 1.913 0.468 0.935 1.000 0.923 CB 1.372 14 residues pruned to eliminate duplicates Z: 17 16.538 1.948 0.643 0.633 0.812 0.500 CB 1.403 17 residues pruned to eliminate duplicates Z: 17 16.429 1.903 0.516 0.645 0.938 0.375 CB 1.326 17 residues pruned to eliminate duplicates Z: 15 20.654 1.940 0.873 0.689 1.000 0.429 CB 1.278 15 residues pruned to eliminate duplicates Z: 27 15.643 1.725 0.661 0.605 0.846 0.423 CB 1.145 27 residues pruned to eliminate duplicates Z: 22 16.746 1.771 0.814 0.603 0.905 0.571 CB 1.139 21 residues pruned to eliminate duplicates Z: 15 23.068 1.912 0.816 0.863 0.929 0.500 CB 1.403 15 residues pruned to eliminate duplicates Z: 15 21.194 1.966 0.716 0.702 1.000 0.571 CB 1.397 15 residues pruned to eliminate duplicates Z: 18 21.353 1.802 0.842 0.774 0.941 0.647 CB 1.301 18 residues pruned to eliminate duplicates Z: 17 20.278 1.886 0.650 0.836 0.938 0.875 CB 1.301 17 residues pruned to eliminate duplicates Z: 23 17.687 1.799 0.594 0.720 0.909 0.455 CB 1.185 23 residues pruned to eliminate duplicates Z: 18 24.736 1.917 0.713 0.818 1.000 0.765 CB 1.386 18 residues pruned to eliminate duplicates Z: 26 20.162 1.787 0.729 0.640 0.880 0.560 CB 1.301 26 residues pruned to eliminate duplicates Z: 20 24.875 1.899 0.729 0.804 1.000 0.684 CB 1.333 21 residues pruned to eliminate duplicates Z: 8 5.971 1.565 0.564 0.474 0.857 0.429 CB 1.104 Z: 22 14.806 1.853 0.422 0.486 0.952 0.333 CB 1.307 28 residues pruned to eliminate duplicates Z: 17 15.849 1.740 0.651 0.651 0.938 0.625 CA 1.278 17 residues pruned to eliminate duplicates Z: 16 6.259 1.637 0.320 0.327 0.733 0.400 CB 1.233 16 residues pruned to eliminate duplicates Z: 23 15.693 1.799 0.485 0.462 0.955 0.455 CB 1.364 23 residues pruned to eliminate duplicates Z: 23 11.089 1.742 0.497 0.450 0.773 0.500 CB 1.235 23 residues pruned to eliminate duplicates Z: 21 24.674 1.995 0.586 0.767 0.950 0.800 CA 1.448 21 residues pruned to eliminate duplicates Z: 26 20.204 1.877 0.565 0.610 0.920 0.640 CB 1.347 26 residues pruned to eliminate duplicates Z: 27 20.514 1.897 0.563 0.624 0.846 0.692 CA 1.427 27 residues pruned to eliminate duplicates Z: 21 19.356 1.979 0.482 0.768 0.800 0.600 CA 1.455 21 residues pruned to eliminate duplicates Z: 27 20.084 1.830 0.581 0.640 0.923 0.538 CB 1.294 27 residues pruned to eliminate duplicates Z: 23 22.776 1.936 0.625 0.733 0.909 0.636 CB 1.377 23 residues pruned to eliminate duplicates Z: 30 21.038 1.852 0.521 0.580 0.931 0.517 CB 1.379 30 residues pruned to eliminate duplicates Z: 23 22.238 1.937 0.631 0.700 0.909 0.636 CB 1.376 23 residues pruned to eliminate duplicates Z: 22 22.002 1.935 0.626 0.738 0.857 0.667 CA 1.439 22 residues pruned to eliminate duplicates Z: 23 23.502 1.924 0.604 0.713 0.955 0.636 CB 1.403 23 residues pruned to eliminate duplicates Z: 39 15.701 1.791 0.417 0.533 0.789 0.474 CB 1.231 39 residues pruned to eliminate duplicates Z: 25 21.718 1.917 0.543 0.636 0.917 0.625 CB 1.439 25 residues pruned to eliminate duplicates Z: 24 20.995 1.929 0.515 0.701 0.870 0.435 CB 1.434 24 residues pruned to eliminate duplicates Z: 9 4.183 1.718 0.445 0.332 0.750 0.250 CB 0.955 9 residues pruned to eliminate duplicates Z: 7 5.538 1.782 0.373 0.590 0.667 0.333 CB 1.272 7 residues pruned to eliminate duplicates Z: 28 20.068 1.861 0.516 0.684 0.926 0.556 CB 1.248 28 residues pruned to eliminate duplicates Z: 6 2.832 1.791 0.446 0.545 1.000 0.600 CB 0.468 6 residues pruned to eliminate duplicates Z: 28 21.485 1.917 0.638 0.709 0.852 0.519 CB 1.279 28 residues pruned to eliminate duplicates Z: 9 5.332 1.725 0.357 0.438 0.875 0.625 CB 0.981 11 residues pruned to eliminate duplicates Z: 9 12.939 1.747 0.495 0.884 1.000 0.875 CB 1.265 9 residues pruned to eliminate duplicates Z: 9 14.008 1.773 0.634 0.867 1.000 0.625 CB 1.250 9 residues pruned to eliminate duplicates Z: 9 15.543 1.753 0.744 0.870 1.000 0.875 CB 1.312 9 residues pruned to eliminate duplicates Z: 8 13.538 1.824 1.101 0.701 0.857 0.571 CB 1.297 8 residues pruned to eliminate duplicates Z: 11 11.313 1.767 0.442 0.586 1.000 0.400 CA 1.293 11 residues pruned to eliminate duplicates Z: 11 11.768 1.799 0.473 0.662 1.000 0.500 CB 1.208 11 residues pruned to eliminate duplicates Z: 13 10.318 1.699 0.451 0.583 1.000 0.833 CB 1.115 13 residues pruned to eliminate duplicates Z: 10 13.184 1.815 0.496 0.767 1.000 0.778 CB 1.278 10 residues pruned to eliminate duplicates Z: 6 4.182 1.507 0.598 0.612 0.800 0.600 CA 0.873 6 residues pruned to eliminate duplicates Z: 16 6.150 1.655 -0.095 0.400 0.933 0.533 CB 1.262 16 residues pruned to eliminate duplicates Z: 6 5.412 1.701 0.058 0.511 1.000 0.200 N 1.331 6 residues pruned to eliminate duplicates Z: 7 4.057 1.785 -0.142 0.552 0.833 0.667 N 1.234 7 residues pruned to eliminate duplicates Z: 20 8.951 1.757 0.236 0.416 0.895 0.579 CB 1.154 20 residues pruned to eliminate duplicates Z: 14 7.211 1.801 0.058 0.455 0.923 0.538 CB 1.191 14 residues pruned to eliminate duplicates Z: 6 3.639 1.687 -0.195 0.504 1.000 0.200 CB 1.195 6 residues pruned to eliminate duplicates Z: 15 8.205 1.798 0.381 0.425 0.786 0.286 CB 1.216 15 residues pruned to eliminate duplicates Z: 11 10.092 1.617 0.491 0.769 0.900 0.700 CB 1.160 12 residues pruned to eliminate duplicates Z: 10 11.084 1.657 0.303 0.814 1.000 0.556 CB 1.303 10 residues pruned to eliminate duplicates Z: 17 10.517 1.720 0.383 0.510 0.812 0.562 CB 1.347 20 residues pruned to eliminate duplicates Z: 10 12.276 1.706 0.431 0.772 1.000 0.556 CB 1.318 10 residues pruned to eliminate duplicates Z: 18 10.826 1.655 0.488 0.422 0.941 0.706 CB 1.229 18 residues pruned to eliminate duplicates Z: 11 9.752 1.628 0.434 0.755 1.000 0.700 CA 1.053 11 residues pruned to eliminate duplicates Z: 17 14.269 1.746 0.442 0.614 1.000 0.562 CB 1.272 17 residues pruned to eliminate duplicates Z: 23 13.760 1.678 0.583 0.506 0.909 0.636 CB 1.208 23 residues pruned to eliminate duplicates Z: 14 7.742 1.653 0.457 0.548 0.846 0.462 CB 1.005 14 residues pruned to eliminate duplicates Z: 18 10.736 1.713 0.297 0.588 1.000 0.471 CB 1.077 18 residues pruned to eliminate duplicates 7 1.492 1.673 -0.111 0.169 0.833 0.333 CA 0.734 ? Z: 19 11.985 1.677 0.517 0.455 0.944 0.500 CB 1.231 19 residues pruned to eliminate duplicates Z: 12 7.686 1.650 0.559 0.317 0.818 0.545 CA 1.347 12 residues pruned to eliminate duplicates Z: 12 6.531 1.691 0.566 0.240 0.909 0.455 CA 1.105 13 residues pruned to eliminate duplicates Z: 6 4.352 1.708 0.320 0.405 0.800 0.800 CA 1.192 6 residues pruned to eliminate duplicates Z: 9 5.658 1.798 0.464 0.367 1.000 0.750 CB 0.876 9 residues pruned to eliminate duplicates Z: 11 5.607 1.735 0.391 0.276 0.900 0.600 CB 1.052 11 residues pruned to eliminate duplicates Z: 13 5.499 1.738 0.385 0.179 0.917 0.583 CB 1.060 14 residues pruned to eliminate duplicates Z: 6 2.043 1.315 0.259 0.353 0.600 0.000 N 1.078 4 residues pruned to eliminate duplicates Z: 8 8.023 1.707 0.559 0.824 1.000 0.571 CB 0.861 8 residues pruned to eliminate duplicates Z: 8 7.916 1.722 0.380 0.793 1.000 0.571 CB 0.973 8 residues pruned to eliminate duplicates Z: 7 9.509 1.846 0.375 0.869 1.000 0.833 CB 1.117 7 residues pruned to eliminate duplicates Z: 8 7.090 1.730 0.336 0.836 1.000 0.571 CB 0.868 8 residues pruned to eliminate duplicates Z: 7 4.789 1.606 0.446 0.562 1.000 0.500 CB 0.793 7 residues pruned to eliminate duplicates Z: 6 5.728 1.712 0.612 0.822 1.000 0.600 CB 0.702 6 residues pruned to eliminate duplicates Z: 7 6.234 1.647 0.266 0.578 1.000 0.667 CA 1.132 Z: 9 10.472 1.591 0.558 0.841 1.000 0.750 CB 1.114 8 residues pruned to eliminate duplicates Z: 8 9.161 1.754 0.283 0.773 1.000 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 9 7.914 1.568 0.588 0.702 0.875 0.750 CA 1.069 9 residues pruned to eliminate duplicates Z: 7 10.844 1.803 0.579 0.853 1.000 0.500 CB 1.149 7 residues pruned to eliminate duplicates Z: 6 8.511 1.724 0.445 0.714 1.000 0.600 N 1.259 6 residues pruned to eliminate duplicates Z: 8 10.886 1.720 0.499 0.764 1.000 0.571 CB 1.263 8 residues pruned to eliminate duplicates Z: 10 9.821 1.589 0.530 0.720 0.889 0.667 CA 1.242 10 residues pruned to eliminate duplicates Z: 7 2.359 1.332 0.394 0.372 0.667 0.167 O 0.892 7 residues pruned to eliminate duplicates Z: 26 17.910 1.846 0.529 0.500 0.920 0.560 CA 1.380 24 residues pruned to eliminate duplicates Z: 8 7.476 1.999 0.368 0.561 0.714 0.286 CB 1.363 8 residues pruned to eliminate duplicates Z: 21 17.208 1.983 0.461 0.525 0.900 0.650 CA 1.439 21 residues pruned to eliminate duplicates Z: 26 15.568 1.911 0.434 0.449 0.880 0.480 CA 1.360 26 residues pruned to eliminate duplicates Z: 35 14.337 1.830 0.375 0.412 0.853 0.412 CB 1.256 35 residues pruned to eliminate duplicates Z: 22 15.194 1.927 0.633 0.504 0.857 0.667 CA 1.224 22 residues pruned to eliminate duplicates Z: 18 12.717 1.975 0.481 0.483 0.824 0.647 CB 1.302 18 residues pruned to eliminate duplicates Z: 23 17.834 1.948 0.457 0.473 0.955 0.636 CB 1.443 23 residues pruned to eliminate duplicates Z: 26 14.771 1.890 0.406 0.496 0.840 0.640 CB 1.329 26 residues pruned to eliminate duplicates Z: 26 17.222 1.877 0.326 0.523 0.920 0.600 CB 1.470 26 residues pruned to eliminate duplicates Z: 26 12.534 1.852 0.357 0.435 0.800 0.520 CB 1.333 26 residues pruned to eliminate duplicates Z: 26 16.104 1.912 0.347 0.518 0.880 0.640 CA 1.396 26 residues pruned to eliminate duplicates Z: 25 19.094 1.894 0.538 0.489 0.958 0.542 CB 1.411 25 residues pruned to eliminate duplicates Z: 24 16.770 1.925 0.520 0.466 0.870 0.609 CB 1.422 24 residues pruned to eliminate duplicates Z: 7 11.536 2.179 0.598 0.655 0.833 0.833 CA 1.406 7 residues pruned to eliminate duplicates Z: 9 9.121 1.967 0.374 0.531 0.875 0.750 CA 1.323 9 residues pruned to eliminate duplicates Z: 25 11.048 1.874 0.452 0.409 0.708 0.500 CB 1.287 25 residues pruned to eliminate duplicates Z: 48 24.734 1.886 0.505 0.534 0.872 0.596 CB 1.409 48 residues pruned to eliminate duplicates Z: 19 18.997 1.944 0.698 0.732 0.889 0.778 CA 1.239 19 residues pruned to eliminate duplicates Z: 19 18.176 1.906 0.662 0.628 0.833 0.722 CA 1.439 19 residues pruned to eliminate duplicates Z: 18 18.496 1.930 0.698 0.693 0.824 0.647 CA 1.393 18 residues pruned to eliminate duplicates Z: 14 24.274 2.016 0.906 0.706 0.923 0.615 CA 1.573 14 residues pruned to eliminate duplicates Z: 43 23.415 1.933 0.573 0.491 0.881 0.595 CB 1.361 43 residues pruned to eliminate duplicates Z: 27 25.035 2.037 0.647 0.663 0.923 0.692 CA 1.364 27 residues pruned to eliminate duplicates Z: 26 19.532 1.939 0.720 0.525 0.920 0.640 CA 1.242 26 residues pruned to eliminate duplicates Z: 15 16.271 1.842 0.805 0.661 0.857 0.571 CB 1.314 15 residues pruned to eliminate duplicates Z: 18 21.859 1.957 0.685 0.779 0.882 0.765 CA 1.425 18 residues pruned to eliminate duplicates Z: 40 25.354 1.966 0.561 0.522 0.923 0.641 CB 1.401 40 residues pruned to eliminate duplicates Z: 16 20.636 1.985 0.767 0.618 0.933 0.667 CB 1.457 16 residues pruned to eliminate duplicates Z: 14 22.300 1.982 0.883 0.685 0.923 0.462 CB 1.515 14 residues pruned to eliminate duplicates Z: 42 24.324 1.955 0.610 0.493 0.902 0.415 CB 1.347 42 residues pruned to eliminate duplicates Z: 35 24.135 1.950 0.710 0.648 0.882 0.618 CB 1.226 35 residues pruned to eliminate duplicates Z: 19 18.669 1.921 0.849 0.730 0.833 0.611 CB 1.208 19 residues pruned to eliminate duplicates Z: 13 14.355 1.886 0.960 0.675 0.750 0.417 CB 1.273 13 residues pruned to eliminate duplicates Z: 34 23.867 1.947 0.726 0.639 0.939 0.485 CB 1.155 34 residues pruned to eliminate duplicates Z: 64 31.754 1.921 0.700 0.561 0.905 0.619 CB 1.276 64 residues pruned to eliminate duplicates Z: 36 26.464 2.024 0.642 0.622 0.914 0.600 CB 1.312 36 residues pruned to eliminate duplicates Z: 33 25.329 1.989 0.742 0.705 0.875 0.750 CB 1.225 33 residues pruned to eliminate duplicates Z: 36 13.441 1.848 0.458 0.452 0.800 0.600 CB 1.106 36 residues pruned to eliminate duplicates Z: 33 23.800 1.944 0.618 0.590 0.906 0.656 CA 1.354 33 residues pruned to eliminate duplicates Z: 23 13.697 1.874 0.463 0.438 0.864 0.500 CA 1.315 23 residues pruned to eliminate duplicates Z: 40 14.578 1.832 0.471 0.363 0.795 0.385 CB 1.263 40 residues pruned to eliminate duplicates Z: 43 21.829 1.947 0.440 0.554 0.905 0.667 CB 1.260 43 residues pruned to eliminate duplicates Z: 54 23.843 1.919 0.487 0.493 0.906 0.585 CB 1.276 54 residues pruned to eliminate duplicates Z: 51 22.036 1.921 0.487 0.506 0.920 0.640 CB 1.179 51 residues pruned to eliminate duplicates Z: 14 10.488 1.905 0.402 0.492 0.846 0.462 CB 1.298 14 residues pruned to eliminate duplicates Z: 47 23.635 1.935 0.536 0.560 0.913 0.609 CB 1.211 47 residues pruned to eliminate duplicates Z: 23 20.134 1.982 0.493 0.670 0.909 0.682 CB 1.363 23 residues pruned to eliminate duplicates Z: 62 21.902 1.926 0.334 0.501 0.902 0.639 CB 1.209 62 residues pruned to eliminate duplicates Z: 19 14.347 1.949 0.426 0.500 0.944 0.444 CB 1.289 19 residues pruned to eliminate duplicates Z: 9 10.323 1.943 0.656 0.530 0.750 0.500 CA 1.468 9 residues pruned to eliminate duplicates Z: 23 22.636 1.902 0.599 0.674 1.000 0.773 CA 1.352 23 residues pruned to eliminate duplicates Z: 33 24.700 1.936 0.636 0.637 0.906 0.688 CA 1.338 33 residues pruned to eliminate duplicates Z: 23 21.295 1.930 0.455 0.694 1.000 0.818 CA 1.354 23 residues pruned to eliminate duplicates Z: 21 18.530 1.941 0.507 0.631 0.950 0.750 CB 1.319 21 residues pruned to eliminate duplicates Z: 44 24.124 1.943 0.499 0.611 0.860 0.581 CB 1.321 44 residues pruned to eliminate duplicates Z: 17 17.481 2.007 0.314 0.725 1.000 0.875 CB 1.353 17 residues pruned to eliminate duplicates Z: 19 23.410 2.037 0.648 0.687 1.000 0.722 CA 1.385 19 residues pruned to eliminate duplicates Z: 47 37.377 1.989 0.858 0.684 0.935 0.674 CB 1.347 47 residues pruned to eliminate duplicates Z: 30 25.468 2.022 0.712 0.612 0.897 0.724 CB 1.371 30 residues pruned to eliminate duplicates Z: 16 20.082 2.011 0.658 0.736 1.000 0.933 CA 1.258 16 residues pruned to eliminate duplicates Z: 33 22.813 1.946 0.658 0.621 0.906 0.688 CB 1.230 33 residues pruned to eliminate duplicates Z: 21 17.294 1.953 0.548 0.682 0.850 0.650 CB 1.274 21 residues pruned to eliminate duplicates Z: 61 27.974 1.922 0.625 0.534 0.983 0.617 CB 1.137 61 residues pruned to eliminate duplicates Z: 24 21.498 1.970 0.482 0.666 0.957 0.739 CA 1.376 24 residues pruned to eliminate duplicates Z: 30 26.740 1.987 0.625 0.673 0.966 0.655 CB 1.357 30 residues pruned to eliminate duplicates Z: 41 23.798 1.936 0.583 0.525 0.925 0.675 CB 1.296 41 residues pruned to eliminate duplicates Z: 27 17.993 1.894 0.464 0.594 0.885 0.808 CB 1.315 27 residues pruned to eliminate duplicates Z: 51 29.703 1.939 0.662 0.569 0.940 0.680 CB 1.298 51 residues pruned to eliminate duplicates Z: 53 24.944 1.907 0.531 0.515 0.904 0.692 CB 1.292 53 residues pruned to eliminate duplicates Z: 37 26.188 1.969 0.597 0.568 0.972 0.750 CA 1.336 37 residues pruned to eliminate duplicates Z: 31 27.810 1.975 0.648 0.667 1.000 0.800 CA 1.337 31 residues pruned to eliminate duplicates Z: 34 18.331 1.880 0.621 0.467 0.909 0.667 CB 1.192 34 residues pruned to eliminate duplicates Z: 15 11.104 1.848 0.732 0.402 0.786 0.714 CA 1.308 15 residues pruned to eliminate duplicates Z: 28 14.234 1.876 0.564 0.415 0.852 0.556 CB 1.199 28 residues pruned to eliminate duplicates Z: 41 20.794 1.881 0.576 0.519 0.900 0.700 CB 1.210 41 residues pruned to eliminate duplicates Z: 17 9.620 1.825 0.627 0.343 0.812 0.688 CA 1.182 17 residues pruned to eliminate duplicates Z: 17 10.896 1.920 0.609 0.318 0.812 0.500 CA 1.328 17 residues pruned to eliminate duplicates Z: 17 11.694 1.808 0.569 0.363 0.875 0.562 CA 1.365 17 residues pruned to eliminate duplicates Z: 17 10.537 1.870 0.403 0.388 0.875 0.562 CB 1.291 17 residues pruned to eliminate duplicates Z: 17 18.036 1.965 0.564 0.590 1.000 0.688 CB 1.345 17 residues pruned to eliminate duplicates Z: 15 11.152 1.884 0.932 0.344 0.857 0.643 CB 1.132 15 residues pruned to eliminate duplicates Z: 13 11.326 1.919 0.748 0.329 0.833 0.583 CB 1.410 13 residues pruned to eliminate duplicates Z: 9 4.802 1.792 0.178 0.333 0.875 0.750 CA 1.104 9 residues pruned to eliminate duplicates Z: 8 7.878 1.711 0.562 0.412 1.000 0.714 N 1.221 8 residues pruned to eliminate duplicates Z: 30 14.505 1.944 0.577 0.453 0.897 0.414 CB 1.028 30 residues pruned to eliminate duplicates Z: 14 8.169 1.762 0.257 0.618 0.923 0.462 CB 0.992 14 residues pruned to eliminate duplicates Z: 14 14.402 1.996 0.626 0.630 0.923 0.615 CB 1.180 14 residues pruned to eliminate duplicates Z: 24 15.779 1.850 0.785 0.457 0.913 0.565 CB 1.141 24 residues pruned to eliminate duplicates Z: 14 19.971 2.003 0.893 0.649 1.000 0.538 CB 1.271 14 residues pruned to eliminate duplicates Z: 11 16.520 2.052 0.795 0.803 1.000 0.600 CB 1.089 11 residues pruned to eliminate duplicates Z: 25 14.550 1.833 0.609 0.484 0.917 0.500 CB 1.116 25 residues pruned to eliminate duplicates Z: 28 17.508 1.969 0.607 0.484 0.889 0.519 CB 1.217 28 residues pruned to eliminate duplicates Z: 11 14.281 2.048 0.750 0.683 0.900 0.700 CB 1.184 11 residues pruned to eliminate duplicates Z: 18 10.979 1.897 0.602 0.494 0.882 0.412 CB 0.999 18 residues pruned to eliminate duplicates Z: 31 15.613 1.885 0.448 0.464 0.933 0.633 CB 1.161 31 residues pruned to eliminate duplicates Z: 23 12.242 1.917 0.603 0.446 0.955 0.500 CB 0.941 23 residues pruned to eliminate duplicates Z: 23 14.406 1.921 0.501 0.477 1.000 0.591 CB 1.091 23 residues pruned to eliminate duplicates Z: 12 6.206 1.689 0.433 0.384 0.909 0.636 CB 0.963 12 residues pruned to eliminate duplicates Z: 65 31.779 2.068 0.576 0.469 0.906 0.547 CB 1.388 65 residues pruned to eliminate duplicates Z: 8 7.422 1.923 0.392 0.492 1.000 0.714 CB 1.057 8 residues pruned to eliminate duplicates Z: 6 5.494 2.041 0.181 0.534 1.000 0.800 CB 0.986 6 residues pruned to eliminate duplicates Z: 8 5.028 2.001 0.152 0.374 0.857 0.571 CB 1.100 8 residues pruned to eliminate duplicates Z: 29 12.317 1.949 0.515 0.423 0.786 0.500 CB 1.087 29 residues pruned to eliminate duplicates Z: 29 12.908 1.976 0.573 0.449 0.786 0.321 CB 1.052 29 residues pruned to eliminate duplicates Z: 40 19.941 1.933 0.562 0.408 0.897 0.513 CB 1.298 40 residues pruned to eliminate duplicates Z: 8 6.528 1.640 0.610 0.467 0.857 0.571 CA 1.127 8 residues pruned to eliminate duplicates Z: 23 13.162 2.006 0.487 0.387 0.909 0.682 CB 1.167 23 residues pruned to eliminate duplicates Z: 31 24.090 2.048 0.530 0.583 0.900 0.667 CB 1.441 31 residues pruned to eliminate duplicates Z: 14 8.817 2.145 0.307 0.348 0.846 0.538 CB 1.215 14 residues pruned to eliminate duplicates Z: 32 26.601 2.031 0.587 0.583 0.968 0.710 CB 1.415 32 residues pruned to eliminate duplicates Z: 13 10.862 2.126 0.555 0.330 1.000 0.750 CB 1.143 13 residues pruned to eliminate duplicates Z: 20 11.619 1.962 0.435 0.397 0.895 0.474 CB 1.180 20 residues pruned to eliminate duplicates Z: 41 28.978 1.985 0.766 0.562 0.900 0.625 CB 1.368 41 residues pruned to eliminate duplicates Z: 31 24.557 2.029 0.671 0.568 0.900 0.700 CB 1.376 31 residues pruned to eliminate duplicates Z: 32 23.381 2.029 0.628 0.583 0.839 0.645 CB 1.400 32 residues pruned to eliminate duplicates Z: 45 24.387 2.026 0.654 0.479 0.818 0.523 CB 1.370 45 residues pruned to eliminate duplicates Z: 51 29.031 2.041 0.660 0.546 0.840 0.520 CB 1.379 51 residues pruned to eliminate duplicates Z: 16 10.952 2.089 0.549 0.378 0.867 0.533 CB 1.149 16 residues pruned to eliminate duplicates Z: 19 12.210 2.012 0.503 0.442 0.889 0.389 CB 1.137 19 residues pruned to eliminate duplicates Z: 30 26.512 2.032 0.704 0.603 0.897 0.655 CB 1.439 30 residues pruned to eliminate duplicates Z: 30 27.943 2.041 0.770 0.603 0.966 0.690 CB 1.349 30 residues pruned to eliminate duplicates Z: 23 25.439 1.891 0.588 0.742 1.000 0.773 CB 1.454 23 residues pruned to eliminate duplicates Z: 31 25.401 2.085 0.667 0.594 0.867 0.567 CB 1.408 31 residues pruned to eliminate duplicates Z: 31 24.640 2.024 0.723 0.597 0.900 0.667 CB 1.306 31 residues pruned to eliminate duplicates Z: 45 31.225 2.069 0.702 0.575 0.886 0.636 CB 1.403 45 residues pruned to eliminate duplicates Z: 22 29.035 1.984 0.854 0.697 0.952 0.714 CB 1.510 22 residues pruned to eliminate duplicates Z: 18 26.437 2.019 0.812 0.703 0.882 0.471 CA 1.651 18 residues pruned to eliminate duplicates Z: 33 27.250 1.994 0.757 0.590 0.938 0.656 CB 1.346 33 residues pruned to eliminate duplicates Z: 46 32.728 2.027 0.789 0.561 0.933 0.622 CB 1.359 46 residues pruned to eliminate duplicates Z: 32 26.469 2.025 0.810 0.557 0.903 0.710 CB 1.359 32 residues pruned to eliminate duplicates Z: 31 30.000 2.027 0.829 0.595 0.967 0.600 CB 1.395 31 residues pruned to eliminate duplicates Z: 17 28.785 2.034 1.050 0.740 0.875 0.750 CB 1.591 17 residues pruned to eliminate duplicates Z: 32 35.436 2.098 0.839 0.655 0.903 0.645 CB 1.581 32 residues pruned to eliminate duplicates Z: 47 31.592 2.083 0.791 0.561 0.891 0.500 CB 1.321 47 residues pruned to eliminate duplicates Z: 42 33.312 2.080 0.741 0.611 0.902 0.512 CB 1.434 42 residues pruned to eliminate duplicates Z: 44 32.794 2.088 0.658 0.609 0.930 0.558 CB 1.400 44 residues pruned to eliminate duplicates Z: 48 32.518 2.045 0.756 0.555 0.915 0.468 CB 1.369 48 residues pruned to eliminate duplicates Z: 6 4.418 2.066 0.057 0.178 1.000 0.200 CB 1.335 6 residues pruned to eliminate duplicates Z: 20 16.326 2.032 0.628 0.493 0.895 0.368 CB 1.275 20 residues pruned to eliminate duplicates Z: 18 21.859 2.081 0.598 0.542 1.000 0.471 CB 1.529 18 residues pruned to eliminate duplicates Z: 17 18.116 2.139 0.666 0.519 0.875 0.375 CB 1.426 17 residues pruned to eliminate duplicates Z: 16 16.485 2.055 0.746 0.475 0.933 0.533 CB 1.304 16 residues pruned to eliminate duplicates Z: 26 14.652 2.047 0.518 0.440 0.800 0.600 CB 1.255 26 residues pruned to eliminate duplicates Z: 17 16.382 2.117 0.419 0.574 0.875 0.688 CB 1.451 17 residues pruned to eliminate duplicates Z: 17 15.395 1.991 0.523 0.494 0.875 0.750 CB 1.460 17 residues pruned to eliminate duplicates Z: 16 14.459 1.982 0.561 0.515 0.933 0.600 CB 1.273 16 residues pruned to eliminate duplicates Z: 28 18.616 2.123 0.502 0.401 0.889 0.519 CB 1.404 28 residues pruned to eliminate duplicates Z: 26 19.719 2.130 0.524 0.451 0.840 0.640 CB 1.521 26 residues pruned to eliminate duplicates Z: 27 20.265 2.133 0.439 0.443 0.885 0.615 CB 1.552 27 residues pruned to eliminate duplicates Z: 23 16.156 2.078 0.384 0.441 0.818 0.591 CB 1.556 23 residues pruned to eliminate duplicates Z: 16 15.701 2.196 0.304 0.436 1.000 0.533 CA 1.513 16 residues pruned to eliminate duplicates Z: 26 18.119 2.162 0.245 0.428 0.920 0.640 CB 1.576 26 residues pruned to eliminate duplicates Z: 28 18.332 2.100 0.403 0.421 0.852 0.556 CB 1.527 28 residues pruned to eliminate duplicates Z: 27 20.884 2.120 0.390 0.446 0.923 0.577 CB 1.592 27 residues pruned to eliminate duplicates Z: 15 10.754 2.088 0.304 0.366 0.857 0.643 CA 1.421 15 residues pruned to eliminate duplicates Z: 29 24.622 2.105 0.467 0.498 0.964 0.714 CB 1.566 29 residues pruned to eliminate duplicates Z: 27 19.624 2.092 0.683 0.373 0.846 0.577 CB 1.479 27 residues pruned to eliminate duplicates Z: 25 23.671 2.169 0.432 0.502 0.958 0.667 CA 1.620 25 residues pruned to eliminate duplicates Z: 17 17.932 2.174 0.414 0.502 1.000 0.750 CA 1.456 17 residues pruned to eliminate duplicates Z: 11 15.535 2.208 0.608 0.462 0.900 0.700 CA 1.598 11 residues pruned to eliminate duplicates Z: 7 4.557 1.792 0.703 0.404 0.667 0.333 CA 1.011 6 residues pruned to eliminate duplicates Z: 6 9.212 1.777 0.557 0.680 1.000 0.800 CA 1.262 7 residues pruned to eliminate duplicates Z: 15 14.128 1.886 0.469 0.635 0.857 0.500 CB 1.401 11 residues pruned to eliminate duplicates Z: 17 15.725 1.865 0.452 0.696 0.938 0.562 CB 1.294 21 residues pruned to eliminate duplicates Z: 13 18.428 1.809 0.671 0.797 1.000 0.750 CB 1.357 12 residues pruned to eliminate duplicates Z: 12 13.098 1.893 0.275 0.816 1.000 0.818 CB 1.243 12 residues pruned to eliminate duplicates Z: 12 14.371 1.907 0.506 0.826 1.000 0.909 CB 1.138 12 residues pruned to eliminate duplicates Z: 19 15.210 1.826 0.523 0.615 0.944 0.722 CB 1.225 19 residues pruned to eliminate duplicates Z: 13 13.179 1.902 0.388 0.775 0.917 0.500 CB 1.233 13 residues pruned to eliminate duplicates Z: 11 17.861 1.994 0.551 0.832 1.000 0.800 CB 1.371 13 residues pruned to eliminate duplicates Z: 12 13.070 1.866 0.513 0.811 1.000 0.727 CB 1.064 12 residues pruned to eliminate duplicates Z: 16 11.239 1.826 0.385 0.600 0.867 0.600 CB 1.203 16 residues pruned to eliminate duplicates Z: 14 12.302 1.788 0.460 0.743 1.000 0.769 CB 1.052 14 residues pruned to eliminate duplicates Z: 14 10.408 1.720 0.581 0.649 0.923 0.385 CB 1.001 14 residues pruned to eliminate duplicates Z: 16 20.743 1.787 0.987 0.720 1.000 0.600 N 1.237 16 residues pruned to eliminate duplicates Z: 15 18.897 1.821 0.799 0.784 0.857 0.571 CA 1.401 15 residues pruned to eliminate duplicates Z: 16 23.640 1.886 0.852 0.772 1.000 0.600 N 1.374 16 residues pruned to eliminate duplicates Z: 15 20.431 1.938 0.924 0.733 0.929 0.571 N 1.278 15 residues pruned to eliminate duplicates Z: 18 24.268 1.895 0.655 0.848 0.941 0.765 N 1.479 18 residues pruned to eliminate duplicates Z: 13 22.078 1.927 1.064 0.793 0.917 0.583 N 1.352 13 residues pruned to eliminate duplicates Z: 13 24.495 1.914 1.102 0.788 1.000 0.333 N 1.365 13 residues pruned to eliminate duplicates Z: 20 22.494 1.821 0.819 0.748 0.895 0.579 N 1.395 20 residues pruned to eliminate duplicates Z: 17 33.980 1.968 0.934 0.902 1.000 0.500 CA 1.592 17 residues pruned to eliminate duplicates Z: 17 32.050 1.956 0.911 0.888 1.000 0.625 N 1.544 17 residues pruned to eliminate duplicates Z: 20 20.530 1.807 0.920 0.728 0.895 0.316 CB 1.235 20 residues pruned to eliminate duplicates Z: 17 33.802 1.929 1.142 0.870 0.938 0.250 N 1.592 17 residues pruned to eliminate duplicates Z: 9 5.202 1.669 0.383 0.450 0.625 0.000 N 1.341 9 residues pruned to eliminate duplicates Z: 26 17.848 1.853 0.581 0.552 0.800 0.480 CA 1.448 40 residues pruned to eliminate duplicates Z: 10 5.125 1.644 0.389 0.424 0.667 0.222 CB 1.214 10 residues pruned to eliminate duplicates Z: 18 11.162 1.743 0.469 0.539 0.824 0.588 N 1.237 18 residues pruned to eliminate duplicates Z: 19 10.221 1.719 0.170 0.503 0.889 0.444 CB 1.344 7 residues pruned to eliminate duplicates Z: 10 4.875 1.247 0.751 0.462 0.889 0.556 O 0.871 9 residues pruned to eliminate duplicates Z: 20 16.283 1.853 0.468 0.752 0.842 0.684 CB 1.303 20 residues pruned to eliminate duplicates Z: 20 20.150 1.844 0.627 0.713 0.947 0.789 CA 1.341 20 residues pruned to eliminate duplicates Z: 19 21.820 1.975 0.722 0.743 0.944 0.833 CB 1.288 19 residues pruned to eliminate duplicates Z: 19 17.961 1.905 0.586 0.748 0.889 0.722 CB 1.263 19 residues pruned to eliminate duplicates Z: 19 23.982 2.009 0.650 0.779 1.000 0.833 CB 1.333 19 residues pruned to eliminate duplicates Z: 24 15.575 1.852 0.427 0.632 0.913 0.696 CB 1.189 24 residues pruned to eliminate duplicates Z: 15 20.671 1.990 0.657 0.800 0.929 0.714 CA 1.389 15 residues pruned to eliminate duplicates Z: 21 16.152 1.850 0.450 0.706 0.900 0.700 CB 1.240 21 residues pruned to eliminate duplicates Z: 22 18.322 1.891 0.593 0.616 0.905 0.667 CB 1.315 22 residues pruned to eliminate duplicates Z: 22 21.711 1.907 0.707 0.680 0.905 0.714 CB 1.363 22 residues pruned to eliminate duplicates Z: 21 16.840 1.786 0.846 0.579 0.800 0.500 CA 1.323 21 residues pruned to eliminate duplicates Z: 22 23.604 1.943 0.820 0.687 0.952 0.667 CB 1.288 22 residues pruned to eliminate duplicates Z: 24 20.723 1.935 0.464 0.683 0.957 0.696 CB 1.348 24 residues pruned to eliminate duplicates Z: 28 23.829 1.962 0.483 0.652 1.000 0.778 CA 1.369 28 residues pruned to eliminate duplicates Z: 23 19.516 1.887 0.467 0.740 0.955 0.636 CB 1.270 23 residues pruned to eliminate duplicates Z: 28 12.155 1.674 0.584 0.417 0.778 0.519 CB 1.237 28 residues pruned to eliminate duplicates Z: 28 22.097 1.958 0.439 0.671 0.926 0.704 CA 1.391 28 residues pruned to eliminate duplicates Z: 37 20.584 1.881 0.383 0.578 0.944 0.667 CB 1.295 31 residues pruned to eliminate duplicates Z: 7 5.008 1.458 0.547 0.429 0.833 0.500 CA 1.172 7 residues pruned to eliminate duplicates Z: 18 7.861 1.750 0.357 0.436 0.824 0.412 CB 1.042 18 residues pruned to eliminate duplicates Z: 19 8.246 1.718 0.477 0.374 0.778 0.444 CB 1.127 19 residues pruned to eliminate duplicates Z: 14 8.841 1.833 0.436 0.398 0.846 0.462 CB 1.226 14 residues pruned to eliminate duplicates Z: 15 7.968 1.813 0.319 0.449 0.786 0.571 CB 1.193 15 residues pruned to eliminate duplicates Z: 51 17.882 1.766 0.485 0.496 0.800 0.660 CB 1.211 86 residues pruned to eliminate duplicates Z: 7 5.284 1.774 0.829 0.538 0.667 0.500 CB 0.961 7 residues pruned to eliminate duplicates Z: 7 4.185 1.592 0.330 0.498 0.833 0.333 N 0.970 7 residues pruned to eliminate duplicates Z: 18 8.918 1.722 0.659 0.434 0.647 0.529 CA 1.252 10 residues pruned to eliminate duplicates Z: 20 10.013 1.693 0.479 0.519 0.947 0.474 CB 0.950 18 residues pruned to eliminate duplicates Z: 6 3.867 1.607 0.551 0.368 0.600 0.400 CB 1.333 6 residues pruned to eliminate duplicates Z: 17 10.868 1.748 0.691 0.505 0.812 0.688 CB 1.125 20 residues pruned to eliminate duplicates Z: 9 5.780 1.562 0.892 0.396 0.875 0.375 CA 0.882 9 residues pruned to eliminate duplicates Z: 23 14.968 1.777 0.741 0.519 0.864 0.545 CB 1.171 23 residues pruned to eliminate duplicates Z: 24 13.882 1.819 0.599 0.540 0.870 0.652 CB 1.101 24 residues pruned to eliminate duplicates Z: 22 16.280 1.817 0.768 0.535 0.905 0.571 CB 1.181 22 residues pruned to eliminate duplicates Z: 23 12.602 1.803 0.549 0.470 0.818 0.545 CB 1.212 40 residues pruned to eliminate duplicates Z: 7 4.162 1.603 0.806 0.379 0.833 0.667 CB 0.801 7 residues pruned to eliminate duplicates Z: 6 5.548 1.923 0.559 0.270 0.800 0.400 N 1.344 6 residues pruned to eliminate duplicates Z: 6 5.108 1.844 0.257 0.438 0.800 0.600 CB 1.314 6 residues pruned to eliminate duplicates Z: 18 10.026 1.840 0.389 0.468 0.765 0.588 CA 1.285 18 residues pruned to eliminate duplicates Z: 12 10.075 1.853 0.579 0.690 0.818 0.636 CB 1.067 12 residues pruned to eliminate duplicates Z: 16 9.141 1.854 0.561 0.469 0.800 0.667 CB 1.052 16 residues pruned to eliminate duplicates Z: 11 6.912 1.736 0.332 0.620 0.800 0.500 CA 1.055 11 residues pruned to eliminate duplicates Z: 14 6.987 1.772 0.383 0.491 0.846 0.538 CB 0.943 14 residues pruned to eliminate duplicates Z: 12 11.217 1.701 0.822 0.619 0.818 0.727 CA 1.192 12 residues pruned to eliminate duplicates Z: 16 8.075 1.653 0.644 0.523 0.800 0.067 CB 0.937 16 residues pruned to eliminate duplicates Z: 10 15.971 1.989 0.960 0.802 0.889 0.778 CB 1.179 10 residues pruned to eliminate duplicates Z: 13 10.248 1.785 0.868 0.554 0.750 0.500 CA 1.122 13 residues pruned to eliminate duplicates Z: 12 8.949 1.826 0.815 0.617 0.727 0.273 CB 1.002 12 residues pruned to eliminate duplicates Z: 31 19.059 1.817 0.711 0.497 0.900 0.500 CA 1.247 10 residues pruned to eliminate duplicates Z: 6 2.968 1.600 -0.038 0.393 1.000 0.600 CA 0.965 Z: 7 4.243 1.369 0.840 0.472 0.833 0.167 CB 0.849 Z: 6 2.537 1.372 0.322 0.395 0.800 0.600 N 0.874 6 residues pruned to eliminate duplicates Z: 18 15.047 1.774 0.327 0.756 1.000 0.706 CB 1.234 18 residues pruned to eliminate duplicates Z: 15 10.854 1.868 0.325 0.475 0.929 0.786 CB 1.295 15 residues pruned to eliminate duplicates Z: 20 10.269 1.740 0.555 0.395 0.842 0.421 CB 1.155 20 residues pruned to eliminate duplicates Z: 25 15.277 1.672 0.392 0.568 0.917 0.667 CB 1.368 25 residues pruned to eliminate duplicates Z: 17 10.958 1.802 0.462 0.450 0.875 0.625 CB 1.251 17 residues pruned to eliminate duplicates Z: 16 12.465 1.853 0.266 0.622 0.933 0.733 CB 1.311 16 residues pruned to eliminate duplicates Z: 25 15.870 1.733 0.469 0.604 0.917 0.667 CB 1.258 25 residues pruned to eliminate duplicates Z: 25 16.003 1.869 0.314 0.537 0.917 0.708 CB 1.399 25 residues pruned to eliminate duplicates Z: 23 16.890 1.801 0.506 0.630 0.909 0.682 CB 1.292 23 residues pruned to eliminate duplicates Z: 21 20.944 1.838 0.556 0.694 0.950 0.850 CB 1.444 22 residues pruned to eliminate duplicates Z: 17 19.305 1.719 0.687 0.751 1.000 0.688 CB 1.330 17 residues pruned to eliminate duplicates Z: 20 20.560 1.864 0.530 0.707 1.000 0.737 CB 1.370 21 residues pruned to eliminate duplicates Z: 18 18.848 1.809 0.675 0.759 0.882 0.824 CB 1.358 18 residues pruned to eliminate duplicates Z: 18 16.677 1.886 0.547 0.681 0.941 0.824 CB 1.248 18 residues pruned to eliminate duplicates Z: 45 19.854 1.811 0.518 0.446 0.909 0.591 CB 1.267 51 residues pruned to eliminate duplicates Z: 15 15.269 1.716 0.716 0.731 1.000 0.714 CB 1.126 15 residues pruned to eliminate duplicates Z: 20 11.799 1.887 0.504 0.326 0.947 0.789 CA 1.220 20 residues pruned to eliminate duplicates Z: 41 13.891 1.832 0.357 0.345 0.900 0.525 CB 1.161 41 residues pruned to eliminate duplicates Z: 21 11.211 1.889 0.475 0.315 0.900 0.650 CB 1.227 21 residues pruned to eliminate duplicates Z: 12 6.983 1.711 0.429 0.409 0.909 0.727 CA 1.042 12 residues pruned to eliminate duplicates Z: 24 12.412 1.834 0.552 0.302 0.913 0.652 CB 1.243 24 residues pruned to eliminate duplicates Z: 10 7.937 1.732 0.408 0.466 1.000 0.667 CA 1.122 10 residues pruned to eliminate duplicates Z: 24 11.923 1.823 0.520 0.299 0.913 0.435 CA 1.231 24 residues pruned to eliminate duplicates Z: 14 8.051 1.693 0.448 0.411 0.923 0.769 CA 1.083 14 residues pruned to eliminate duplicates Z: 14 6.955 1.712 0.405 0.419 0.769 0.615 CA 1.134 14 residues pruned to eliminate duplicates Z: 14 6.538 1.755 0.317 0.394 0.769 0.462 CB 1.141 14 residues pruned to eliminate duplicates Z: 18 14.685 1.999 0.547 0.394 0.941 0.471 CB 1.369 18 residues pruned to eliminate duplicates Z: 18 14.317 1.991 0.518 0.386 0.941 0.471 CB 1.378 18 residues pruned to eliminate duplicates Z: 20 13.182 1.927 0.455 0.409 0.895 0.474 CB 1.326 20 residues pruned to eliminate duplicates Z: 21 13.435 1.953 0.580 0.349 0.900 0.500 CB 1.275 21 residues pruned to eliminate duplicates Z: 36 14.384 1.876 0.283 0.356 0.914 0.486 CB 1.291 36 residues pruned to eliminate duplicates Z: 21 12.718 1.887 0.479 0.312 0.900 0.700 CB 1.394 21 residues pruned to eliminate duplicates Z: 20 12.967 1.873 0.536 0.377 0.895 0.842 CB 1.319 20 residues pruned to eliminate duplicates Z: 22 10.069 1.860 0.415 0.301 0.810 0.571 CB 1.288 22 residues pruned to eliminate duplicates Z: 24 12.287 1.813 0.486 0.367 0.870 0.435 CB 1.262 24 residues pruned to eliminate duplicates Z: 44 16.261 1.841 0.324 0.351 0.930 0.395 CB 1.284 44 residues pruned to eliminate duplicates Z: 54 16.559 1.836 0.354 0.370 0.849 0.472 CB 1.239 54 residues pruned to eliminate duplicates Z: 51 14.485 1.927 0.385 0.275 0.840 0.460 CB 1.179 51 residues pruned to eliminate duplicates Z: 35 13.275 1.885 0.274 0.394 0.882 0.618 CB 1.202 35 residues pruned to eliminate duplicates Z: 27 12.214 1.876 0.244 0.399 0.962 0.538 CB 1.187 27 residues pruned to eliminate duplicates Z: 15 9.009 1.933 0.076 0.450 0.929 0.500 CB 1.312 15 residues pruned to eliminate duplicates Z: 41 14.844 1.884 0.409 0.312 0.875 0.500 CB 1.244 41 residues pruned to eliminate duplicates Z: 21 9.037 1.915 0.194 0.370 0.900 0.650 CB 1.129 21 residues pruned to eliminate duplicates Z: 27 12.003 1.960 0.329 0.339 0.885 0.538 CB 1.218 27 residues pruned to eliminate duplicates Z: 21 9.731 1.999 0.118 0.409 0.900 0.750 CB 1.190 21 residues pruned to eliminate duplicates Z: 12 10.423 1.975 0.182 0.468 1.000 0.727 CB 1.390 12 residues pruned to eliminate duplicates Z: 12 6.658 1.993 0.028 0.473 0.909 0.636 CB 1.108 12 residues pruned to eliminate duplicates Z: 34 17.094 1.911 0.467 0.413 0.909 0.545 CB 1.279 34 residues pruned to eliminate duplicates Z: 28 12.453 1.934 0.270 0.398 0.852 0.630 CB 1.275 28 residues pruned to eliminate duplicates Z: 34 14.261 1.926 0.406 0.440 0.788 0.667 CB 1.238 34 residues pruned to eliminate duplicates Z: 42 14.291 1.927 0.425 0.360 0.829 0.439 CB 1.139 42 residues pruned to eliminate duplicates Z: 23 9.720 1.929 0.326 0.305 0.864 0.545 CB 1.165 23 residues pruned to eliminate duplicates Z: 36 12.177 1.893 0.386 0.382 0.714 0.486 CB 1.245 36 residues pruned to eliminate duplicates Z: 33 13.345 1.880 0.430 0.359 0.812 0.438 CB 1.258 33 residues pruned to eliminate duplicates Z: 28 14.258 1.925 0.387 0.403 0.889 0.481 CB 1.280 28 residues pruned to eliminate duplicates Z: 38 15.836 1.867 0.433 0.402 0.892 0.405 CB 1.209 38 residues pruned to eliminate duplicates Z: 35 15.165 1.863 0.660 0.375 0.853 0.588 CB 1.127 35 residues pruned to eliminate duplicates Z: 34 11.910 1.882 0.433 0.351 0.818 0.576 CB 1.104 34 residues pruned to eliminate duplicates Z: 26 12.450 1.982 0.474 0.301 0.760 0.600 CB 1.400 26 residues pruned to eliminate duplicates Z: 32 11.165 1.878 0.266 0.305 0.871 0.548 CB 1.204 32 residues pruned to eliminate duplicates Z: 35 15.218 1.837 0.429 0.416 0.853 0.529 CB 1.273 35 residues pruned to eliminate duplicates Z: 34 16.901 1.944 0.558 0.449 0.879 0.576 CB 1.165 34 residues pruned to eliminate duplicates Z: 29 15.434 1.944 0.395 0.413 0.929 0.536 CB 1.268 29 residues pruned to eliminate duplicates Z: 23 10.615 1.877 0.522 0.359 0.818 0.455 CB 1.128 23 residues pruned to eliminate duplicates Z: 14 11.476 1.711 0.628 0.592 0.923 0.462 CB 1.133 14 residues pruned to eliminate duplicates Z: 33 13.744 1.877 0.433 0.375 0.875 0.594 CB 1.180 33 residues pruned to eliminate duplicates Z: 17 8.201 1.803 0.417 0.537 0.750 0.375 CB 1.032 17 residues pruned to eliminate duplicates Z: 34 17.827 1.900 0.409 0.480 0.939 0.606 CB 1.259 34 residues pruned to eliminate duplicates Z: 61 17.867 1.806 0.448 0.344 0.850 0.500 CB 1.230 61 residues pruned to eliminate duplicates Z: 24 8.834 1.797 0.377 0.467 0.826 0.522 CB 0.932 24 residues pruned to eliminate duplicates Z: 21 18.758 1.907 0.482 0.725 0.950 0.700 CB 1.275 21 residues pruned to eliminate duplicates Z: 11 15.216 1.850 0.518 0.913 1.000 0.900 CB 1.213 11 residues pruned to eliminate duplicates Z: 13 13.848 1.919 0.523 0.802 1.000 0.583 CB 1.051 13 residues pruned to eliminate duplicates Z: 10 10.140 1.987 0.541 0.656 1.000 0.444 CB 0.955 9 residues pruned to eliminate duplicates Z: 11 15.286 1.797 0.729 0.884 0.900 0.500 CB 1.249 11 residues pruned to eliminate duplicates Z: 37 18.715 1.937 0.478 0.504 0.861 0.500 CB 1.260 38 residues pruned to eliminate duplicates Z: 12 15.253 1.825 0.837 0.863 0.909 0.455 CB 1.107 12 residues pruned to eliminate duplicates Z: 20 14.948 1.782 0.593 0.636 0.947 0.579 CB 1.123 18 residues pruned to eliminate duplicates 829 residues left after pruning, divided into chains as follows: A: 6 B: 11 C: 6 D: 8 E: 6 F: 10 G: 10 H: 13 I: 7 J: 7 K: 18 L: 8 M: 19 N: 13 O: 7 P: 14 Q: 8 R: 21 S: 9 T: 8 U: 14 V: 10 W: 7 X: 28 Y: 26 Z: 21 Z: 20 Z: 25 Z: 14 Z: 9 Z: 18 Z: 19 Z: 6 Z: 8 Z: 7 Z: 10 Z: 169 Z: 17 Z: 24 Z: 65 Z: 85 Z: 18 CC for partial structure against native data = 30.68 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.452, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.516, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.606, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.610, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.618, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.621, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.624, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.626, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.627, Connect. = 0.767 for dens.mod. cycle 9 TimeTaking 152.98