null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:10:45 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: ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.ins Phases from ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.phi Native data from ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.hkl Listing output to ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.lst Phases output to ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.phs Poly-Ala trace output to ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 52578 Reflections read from file ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.phi 52578 Reflections read from file ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.hkl 52578 Unique data, highest resolution = 2.600 Angstroms Anisotropic scaling: intensities multiplied by -0.000174h^2 -0.000077k^2 +0.000183l^2 +0.000000kl +0.000000hl +0.000000hk 6 Reflections with d > 2.800 and 0 in range 2.800 > d > 2.600 added Density sharpening factor set to 0.00 Fourier grid = 128 x 256 x 41 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.738 = 0.300, Contrast = 0.314, Connect. = 0.664 for dens.mod. cycle 1 = 0.300, Contrast = 0.391, Connect. = 0.675 for dens.mod. cycle 2 = 0.300, Contrast = 0.462, Connect. = 0.698 for dens.mod. cycle 3 = 0.300, Contrast = 0.487, Connect. = 0.707 for dens.mod. cycle 4 = 0.300, Contrast = 0.501, Connect. = 0.714 for dens.mod. cycle 5 = 0.300, Contrast = 0.511, Connect. = 0.718 for dens.mod. cycle 6 = 0.300, Contrast = 0.518, Connect. = 0.721 for dens.mod. cycle 7 = 0.300, Contrast = 0.524, Connect. = 0.724 for dens.mod. cycle 8 = 0.300, Contrast = 0.528, Connect. = 0.726 for dens.mod. cycle 9 = 0.300, Contrast = 0.532, Connect. = 0.727 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4185 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1243 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 15.342 1.755 1.057 0.894 0.875 0.500 N 1.232 B: 15 15.088 1.749 0.689 0.905 1.000 0.857 CB 0.971 C: 14 21.336 1.749 0.801 0.863 1.000 0.769 CA 1.378 D: 15 11.332 1.724 0.637 0.909 0.929 0.929 CB 0.820 15 residues pruned to eliminate duplicates E: 11 18.268 1.700 0.812 0.894 0.900 0.800 CB 1.495 F: 15 16.911 1.594 0.550 0.903 1.000 0.857 CB 1.303 G: 21 14.038 1.725 0.538 0.596 0.900 0.700 CB 1.200 H: 15 18.285 1.621 0.674 0.930 1.000 0.786 CB 1.259 15 residues pruned to eliminate duplicates I: 10 14.968 1.665 0.714 0.895 1.000 0.778 N 1.254 J: 13 16.957 1.816 0.666 0.927 1.000 1.000 CB 1.134 13 residues pruned to eliminate duplicates K: 14 17.889 1.663 0.698 0.864 1.000 0.846 CB 1.288 L: 13 16.170 1.775 0.609 0.906 0.917 0.833 CB 1.268 M: 12 16.710 1.758 0.687 0.826 0.909 0.909 CA 1.410 9 residues pruned to eliminate duplicates N: 16 15.436 1.727 0.618 0.918 1.000 1.000 CB 1.006 15 residues pruned to eliminate duplicates O: 13 18.144 1.803 0.798 0.925 1.000 0.833 CB 1.134 15 residues pruned to eliminate duplicates P: 12 15.874 1.802 0.670 0.882 0.909 0.818 CB 1.267 Q: 21 14.738 1.571 0.552 0.929 1.000 0.950 CB 0.946 R: 10 9.803 1.683 0.722 0.662 0.889 0.444 N 1.091 S: 16 19.301 1.717 0.720 0.872 1.000 0.867 CB 1.229 14 residues pruned to eliminate duplicates T: 8 6.292 1.719 0.606 0.367 0.857 0.571 CB 1.159 U: 14 9.171 1.675 0.778 0.562 0.769 0.462 CB 1.046 V: 12 16.750 1.794 0.918 0.917 1.000 0.727 CB 1.036 12 residues pruned to eliminate duplicates W: 10 22.370 1.787 1.100 0.870 1.000 0.778 CB 1.450 X: 13 24.785 1.783 0.787 0.920 1.000 0.917 CA 1.582 Y: 14 13.143 1.599 0.457 0.867 1.000 0.923 CB 1.144 Z: 11 15.112 1.735 1.131 0.861 0.900 0.700 CB 1.055 11 residues pruned to eliminate duplicates Z: 11 8.942 1.628 0.059 0.840 1.000 0.900 CA 1.224 Z: 18 18.389 1.670 0.594 0.903 1.000 0.706 CB 1.194 Z: 14 22.274 1.782 0.832 0.855 1.000 0.769 CA 1.396 14 residues pruned to eliminate duplicates Z: 13 17.266 1.766 0.531 0.859 0.917 0.750 CA 1.479 Z: 16 13.316 1.618 0.744 0.917 1.000 0.667 CB 0.860 15 residues pruned to eliminate duplicates Z: 9 8.786 1.702 0.171 0.745 1.000 0.875 CB 1.252 Z: 14 22.304 1.734 0.734 0.879 1.000 0.769 N 1.492 14 residues pruned to eliminate duplicates Z: 9 10.688 1.676 0.284 0.837 1.000 0.750 CB 1.313 10 residues pruned to eliminate duplicates Z: 13 17.405 1.772 1.034 0.885 0.917 0.583 CB 1.098 13 residues pruned to eliminate duplicates Z: 28 14.569 1.692 0.699 0.661 0.852 0.407 CB 0.986 Z: 10 14.169 1.738 0.533 0.913 1.000 0.778 CB 1.254 Z: 14 24.502 1.759 1.080 0.896 1.000 0.846 CA 1.330 14 residues pruned to eliminate duplicates Z: 21 8.772 1.574 0.355 0.541 0.850 0.550 CB 1.040 Z: 28 18.635 1.742 0.867 0.505 0.889 0.556 CB 1.234 10 residues pruned to eliminate duplicates Z: 25 15.502 1.678 0.680 0.559 0.875 0.583 CB 1.212 11 residues pruned to eliminate duplicates Z: 11 16.569 1.693 0.715 0.832 0.900 0.800 CB 1.505 Z: 13 15.875 1.620 0.903 0.835 0.917 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 13 16.378 1.657 0.719 0.860 1.000 0.833 CB 1.220 13 residues pruned to eliminate duplicates Z: 12 19.453 1.716 0.982 0.885 1.000 0.727 N 1.245 12 residues pruned to eliminate duplicates Z: 11 10.222 1.524 0.574 0.870 1.000 0.900 CB 0.984 11 residues pruned to eliminate duplicates Z: 12 14.419 1.667 0.618 0.926 1.000 0.909 CB 1.131 12 residues pruned to eliminate duplicates Z: 20 7.491 1.713 0.498 0.329 0.684 0.368 CB 1.181 Z: 6 2.860 1.529 0.851 0.389 0.800 0.400 CB 0.636 Z: 12 21.510 1.763 0.842 0.878 1.000 0.818 CA 1.450 Z: 11 18.033 1.716 0.728 0.867 1.000 0.900 CB 1.407 Z: 25 17.029 1.676 0.628 0.863 0.875 0.625 CB 1.069 Z: 27 12.843 1.704 0.451 0.486 0.885 0.385 CB 1.168 26 residues pruned to eliminate duplicates 6 1.897 1.594 0.109 0.457 0.600 0.400 CB 0.836 ? Z: 12 18.571 1.780 0.698 0.903 1.000 1.000 CB 1.320 Z: 11 16.725 1.724 0.515 0.861 1.000 0.900 CA 1.487 10 residues pruned to eliminate duplicates Z: 11 20.612 1.816 0.616 0.921 1.000 0.800 CB 1.564 11 residues pruned to eliminate duplicates Z: 10 14.458 1.606 0.907 0.832 0.889 0.778 N 1.329 9 residues pruned to eliminate duplicates Z: 12 17.809 1.754 0.660 0.933 1.000 1.000 CA 1.287 12 residues pruned to eliminate duplicates Z: 9 10.030 1.673 0.132 0.860 1.000 0.875 CB 1.377 9 residues pruned to eliminate duplicates Z: 14 16.733 1.787 0.689 0.898 1.000 0.846 CB 1.100 13 residues pruned to eliminate duplicates Z: 12 17.941 1.803 0.747 0.904 1.000 0.727 CB 1.223 12 residues pruned to eliminate duplicates Z: 8 8.126 1.720 0.554 0.812 0.857 0.857 N 1.022 Z: 12 19.446 1.782 0.829 0.844 1.000 0.818 CB 1.339 12 residues pruned to eliminate duplicates Z: 13 14.739 1.756 0.597 0.812 0.833 0.750 CA 1.388 13 residues pruned to eliminate duplicates Z: 7 4.453 1.602 0.099 0.620 0.667 0.667 CB 1.382 Z: 6 7.512 1.612 0.748 0.591 0.800 0.400 CB 1.366 Z: 10 2.439 1.459 0.452 0.187 0.778 0.444 CB 0.718 Z: 9 5.564 1.544 0.725 0.528 0.875 0.625 CB 0.821 Z: 11 16.217 1.707 0.589 0.902 0.900 0.900 CB 1.498 11 residues pruned to eliminate duplicates Z: 14 11.056 1.558 0.573 0.830 0.923 0.769 CB 1.019 Z: 14 16.412 1.764 0.806 0.901 1.000 0.923 CB 1.020 15 residues pruned to eliminate duplicates Z: 25 16.567 1.571 0.671 0.939 1.000 0.833 CB 0.896 Z: 11 11.069 1.613 0.747 0.828 0.900 0.700 CA 1.039 11 residues pruned to eliminate duplicates Z: 8 5.792 1.438 0.250 0.771 0.857 0.571 CB 1.118 Z: 12 10.509 1.581 0.367 0.875 1.000 1.000 CB 1.066 12 residues pruned to eliminate duplicates Z: 11 13.665 1.640 0.731 0.866 0.900 0.600 CB 1.239 11 residues pruned to eliminate duplicates Z: 15 11.212 1.617 0.602 0.561 0.857 0.500 CB 1.272 15 residues pruned to eliminate duplicates Z: 15 13.206 1.570 0.740 0.880 0.929 0.857 CB 1.008 15 residues pruned to eliminate duplicates Z: 14 21.404 1.753 0.952 0.924 1.000 0.692 CB 1.218 12 residues pruned to eliminate duplicates Z: 26 24.343 1.725 0.690 0.895 0.960 0.840 CB 1.247 25 residues pruned to eliminate duplicates Z: 12 15.025 1.696 0.510 0.857 1.000 0.818 CB 1.303 11 residues pruned to eliminate duplicates Z: 11 15.347 1.777 0.924 0.800 1.000 0.700 CB 1.092 10 residues pruned to eliminate duplicates Z: 8 8.155 1.545 0.250 0.780 1.000 0.714 N 1.247 Z: 26 24.607 1.690 0.764 0.907 1.000 0.760 CB 1.173 26 residues pruned to eliminate duplicates Z: 12 20.844 1.723 0.925 0.831 1.000 0.727 CA 1.423 12 residues pruned to eliminate duplicates Z: 13 24.156 1.830 0.804 0.895 1.000 0.833 CB 1.515 15 residues pruned to eliminate duplicates Z: 14 13.788 1.585 0.507 0.895 1.000 0.846 CB 1.148 14 residues pruned to eliminate duplicates Z: 11 12.382 1.744 0.172 0.871 1.000 1.000 CB 1.397 10 residues pruned to eliminate duplicates Z: 9 4.690 1.568 0.605 0.510 0.625 0.500 CB 1.043 Z: 8 5.316 1.679 0.272 0.438 0.714 0.286 CB 1.404 Z: 31 12.507 1.563 0.743 0.549 0.833 0.567 CB 0.959 Z: 8 7.909 1.580 0.788 0.662 0.857 0.571 CB 1.062 Z: 13 17.227 1.729 0.742 0.867 1.000 1.000 CA 1.208 14 residues pruned to eliminate duplicates Z: 14 18.709 1.667 0.642 0.836 1.000 0.923 N 1.419 14 residues pruned to eliminate duplicates Z: 9 5.639 1.560 0.234 0.849 0.750 0.750 CB 1.024 9 residues pruned to eliminate duplicates Z: 7 2.404 1.477 0.282 0.416 0.667 0.333 CB 0.848 Z: 9 3.084 1.300 0.564 0.506 0.625 0.500 CB 0.853 6 residues pruned to eliminate duplicates Z: 7 3.618 1.554 0.523 0.487 0.500 0.500 CA 1.265 Z: 12 6.986 1.637 0.680 0.351 0.818 0.455 CB 1.100 12 residues pruned to eliminate duplicates Z: 11 10.972 1.534 0.292 0.873 1.000 0.700 CB 1.275 Z: 15 12.888 1.769 0.365 0.860 1.000 1.000 CB 1.049 15 residues pruned to eliminate duplicates Z: 12 14.671 1.593 0.726 0.913 1.000 0.909 CA 1.139 8 residues pruned to eliminate duplicates Z: 13 12.511 1.682 0.903 0.827 0.917 0.667 CB 0.928 13 residues pruned to eliminate duplicates Z: 17 12.808 1.629 0.881 0.606 0.875 0.562 CB 1.080 Z: 14 15.992 1.631 0.505 0.902 1.000 0.769 CB 1.289 15 residues pruned to eliminate duplicates Z: 12 25.504 1.790 1.115 0.870 1.000 0.909 CB 1.482 13 residues pruned to eliminate duplicates Z: 10 14.151 1.718 0.449 0.851 1.000 1.000 CA 1.403 10 residues pruned to eliminate duplicates Z: 6 3.435 1.579 0.226 0.772 0.800 0.600 CB 0.779 Z: 10 14.489 1.723 0.319 0.896 1.000 0.889 O 1.523 Z: 15 20.658 1.736 0.702 0.895 1.000 0.857 CB 1.339 15 residues pruned to eliminate duplicates Z: 24 22.107 1.731 0.882 0.904 0.957 0.826 CB 1.053 24 residues pruned to eliminate duplicates Z: 12 14.375 1.670 0.738 0.840 0.909 0.818 CB 1.226 12 residues pruned to eliminate duplicates Z: 16 19.628 1.631 0.812 0.898 1.000 0.600 CB 1.226 18 residues pruned to eliminate duplicates Z: 10 11.077 1.595 0.557 0.830 1.000 0.889 CB 1.118 10 residues pruned to eliminate duplicates Z: 8 7.264 1.763 0.649 0.437 0.857 0.714 CB 1.176 11 residues pruned to eliminate duplicates Z: 8 8.235 1.703 0.792 0.893 1.000 0.714 CB 0.732 8 residues pruned to eliminate duplicates Z: 26 23.154 1.721 0.700 0.895 0.960 0.840 CB 1.182 26 residues pruned to eliminate duplicates Z: 8 3.003 1.606 0.521 0.822 0.857 0.857 CB 0.410 Z: 15 16.415 1.625 0.620 0.875 0.929 0.786 CA 1.306 15 residues pruned to eliminate duplicates Z: 12 20.835 1.778 0.872 0.879 0.909 0.818 CA 1.505 12 residues pruned to eliminate duplicates Z: 11 3.578 1.381 0.401 0.383 0.800 0.500 CB 0.828 10 residues pruned to eliminate duplicates Z: 14 20.924 1.770 0.769 0.881 1.000 0.846 CA 1.342 13 residues pruned to eliminate duplicates Z: 7 5.025 1.671 1.020 0.241 0.667 0.333 N 1.231 Z: 14 17.669 1.522 0.946 0.917 1.000 0.846 CB 1.168 14 residues pruned to eliminate duplicates Z: 14 5.602 1.567 0.211 0.511 0.846 0.615 CB 0.958 15 residues pruned to eliminate duplicates Z: 11 13.368 1.706 0.977 0.863 1.000 1.000 CB 0.919 7 residues pruned to eliminate duplicates Z: 26 9.911 1.661 0.571 0.484 0.720 0.440 CB 1.073 26 residues pruned to eliminate duplicates Z: 13 19.164 1.677 0.643 0.895 1.000 0.833 N 1.441 13 residues pruned to eliminate duplicates Z: 13 21.169 1.746 1.004 0.909 1.000 0.583 CB 1.240 13 residues pruned to eliminate duplicates Z: 12 22.614 1.800 0.818 0.925 1.000 0.909 CB 1.462 12 residues pruned to eliminate duplicates Z: 14 12.828 1.630 0.614 0.845 0.923 0.692 CB 1.089 14 residues pruned to eliminate duplicates Z: 13 7.336 1.583 0.781 0.590 0.917 0.583 CB 0.752 Z: 24 18.458 1.704 0.747 0.515 0.957 0.391 CB 1.331 24 residues pruned to eliminate duplicates Z: 9 9.498 1.713 0.614 0.642 0.875 0.750 CB 1.216 9 residues pruned to eliminate duplicates Z: 22 7.215 1.655 0.188 0.542 0.857 0.476 CB 0.896 22 residues pruned to eliminate duplicates Z: 8 3.496 1.330 0.350 0.413 0.857 0.429 CA 0.940 Z: 6 5.521 1.520 0.956 0.548 0.600 0.600 CB 1.321 6 residues pruned to eliminate duplicates Z: 21 14.277 1.663 0.879 0.704 0.950 0.400 CB 0.893 21 residues pruned to eliminate duplicates Z: 9 13.554 1.511 0.834 0.866 1.000 0.875 N 1.266 9 residues pruned to eliminate duplicates Z: 13 7.417 1.552 0.671 0.717 0.833 0.500 CB 0.814 Z: 13 11.577 1.709 0.694 0.621 0.917 0.750 CB 1.123 Z: 7 7.029 1.609 0.574 0.436 0.833 0.500 CB 1.452 7 residues pruned to eliminate duplicates Z: 14 10.584 1.649 0.699 0.525 0.923 0.615 CB 1.107 7 residues pruned to eliminate duplicates Z: 18 16.788 1.759 0.934 0.658 0.941 0.706 CB 1.098 19 residues pruned to eliminate duplicates Z: 19 12.488 1.564 0.487 0.892 0.944 0.722 CB 0.963 19 residues pruned to eliminate duplicates Z: 21 19.470 1.670 0.614 0.839 1.000 0.800 CB 1.206 19 residues pruned to eliminate duplicates Z: 9 6.223 1.663 0.685 0.308 0.875 0.500 CB 1.111 Z: 11 11.188 1.702 0.732 0.856 0.900 0.700 CB 0.983 11 residues pruned to eliminate duplicates Z: 10 15.844 1.719 0.545 0.882 1.000 0.889 CB 1.439 10 residues pruned to eliminate duplicates Z: 28 22.721 1.653 0.545 0.875 1.000 0.704 CB 1.246 28 residues pruned to eliminate duplicates Z: 10 8.801 1.491 0.465 0.664 1.000 0.667 N 1.155 10 residues pruned to eliminate duplicates Z: 14 14.668 1.649 0.497 0.894 1.000 1.000 CB 1.182 14 residues pruned to eliminate duplicates Z: 24 13.367 1.590 0.740 0.895 0.913 0.609 CB 0.791 Z: 13 18.911 1.754 0.591 0.893 1.000 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 11 12.308 1.672 0.297 0.862 1.000 0.800 CB 1.317 11 residues pruned to eliminate duplicates 6 1.043 1.239 0.396 0.759 0.800 0.600 CB 0.268 ? Z: 13 18.623 1.694 0.698 0.824 1.000 0.833 CB 1.412 13 residues pruned to eliminate duplicates Z: 7 7.193 1.683 0.324 0.643 1.000 0.667 CB 1.153 7 residues pruned to eliminate duplicates Z: 19 12.039 1.633 0.656 0.556 0.889 0.500 CB 1.118 17 residues pruned to eliminate duplicates Z: 12 21.002 1.865 0.663 0.928 1.000 0.909 CB 1.430 12 residues pruned to eliminate duplicates Z: 8 10.483 1.673 0.298 0.832 1.000 0.571 N 1.371 8 residues pruned to eliminate duplicates Z: 26 16.507 1.650 0.427 0.877 0.960 0.800 CB 1.061 26 residues pruned to eliminate duplicates Z: 9 3.804 1.513 0.152 0.482 0.875 0.500 CB 0.897 Z: 12 7.867 1.575 0.717 0.446 0.909 0.545 CB 1.021 Z: 8 3.230 1.389 0.208 0.476 0.857 0.714 CB 0.870 Z: 9 9.079 1.495 0.627 0.682 0.875 0.625 N 1.275 Z: 15 17.301 1.734 0.489 0.917 1.000 0.857 CB 1.263 7 residues pruned to eliminate duplicates Z: 13 17.728 1.709 0.485 0.924 1.000 0.917 CB 1.416 13 residues pruned to eliminate duplicates Z: 12 15.355 1.648 0.730 0.835 0.909 0.636 CA 1.338 12 residues pruned to eliminate duplicates Z: 23 17.953 1.734 0.668 0.557 0.909 0.591 CB 1.378 17 residues pruned to eliminate duplicates Z: 12 16.570 1.655 0.599 0.871 1.000 0.727 CB 1.378 11 residues pruned to eliminate duplicates Z: 21 15.295 1.599 0.768 0.921 1.000 0.600 CB 0.851 21 residues pruned to eliminate duplicates Z: 11 5.938 1.659 0.451 0.465 0.800 0.700 CB 1.010 11 residues pruned to eliminate duplicates Z: 13 20.584 1.785 0.853 0.861 1.000 0.667 CA 1.320 13 residues pruned to eliminate duplicates 6 1.153 1.206 0.406 0.456 0.400 0.400 CB 0.795 ? Z: 7 4.590 1.540 0.155 0.650 0.833 0.500 CB 1.099 Z: 26 21.190 1.669 0.522 0.920 0.960 0.840 CB 1.223 26 residues pruned to eliminate duplicates Z: 12 14.233 1.621 0.657 0.837 1.000 0.909 CB 1.195 12 residues pruned to eliminate duplicates Z: 11 18.059 1.620 1.005 0.908 1.000 0.900 CB 1.248 11 residues pruned to eliminate duplicates Z: 6 4.918 1.704 0.171 0.876 1.000 1.000 CB 0.801 Z: 12 14.821 1.750 0.341 0.825 1.000 0.818 CA 1.437 12 residues pruned to eliminate duplicates Z: 13 17.940 1.719 1.105 0.858 0.917 0.917 CB 1.150 13 residues pruned to eliminate duplicates Z: 9 10.132 1.692 0.343 0.910 1.000 0.875 CA 1.118 9 residues pruned to eliminate duplicates Z: 14 11.928 1.751 0.268 0.922 1.000 0.923 CB 1.047 14 residues pruned to eliminate duplicates Z: 9 13.865 1.721 0.565 0.813 1.000 0.625 CB 1.386 9 residues pruned to eliminate duplicates Z: 10 7.378 1.426 0.530 0.880 1.000 0.778 CB 0.817 Z: 6 3.323 1.383 0.335 0.497 1.000 0.400 N 0.807 Z: 9 5.771 1.517 0.388 0.513 1.000 0.250 N 0.957 Z: 11 14.294 1.635 0.493 0.923 1.000 0.700 CA 1.301 11 residues pruned to eliminate duplicates Z: 16 12.267 1.565 0.457 0.925 1.000 1.000 CB 0.975 Z: 16 17.625 1.651 0.610 0.929 1.000 0.733 CB 1.198 16 residues pruned to eliminate duplicates Z: 11 2.972 1.505 -0.002 0.374 0.800 0.400 CB 0.895 Z: 10 2.150 1.411 0.140 0.229 0.667 0.444 CB 0.916 Z: 8 8.987 1.622 0.573 0.876 1.000 0.714 CB 0.968 8 residues pruned to eliminate duplicates Z: 12 5.532 1.586 0.776 0.893 0.818 0.455 CB 0.519 12 residues pruned to eliminate duplicates Z: 12 13.114 1.688 0.431 0.881 0.909 0.818 CB 1.304 12 residues pruned to eliminate duplicates Z: 14 7.243 1.576 0.619 0.347 0.769 0.462 CB 1.208 7 residues pruned to eliminate duplicates Z: 10 13.839 1.694 0.467 0.847 1.000 0.889 CB 1.377 10 residues pruned to eliminate duplicates Z: 21 10.304 1.525 0.498 0.875 0.900 0.800 CB 0.815 20 residues pruned to eliminate duplicates Z: 6 4.558 1.513 0.367 0.344 1.000 1.000 O 1.167 Z: 18 12.200 1.577 0.462 0.907 0.941 0.647 CB 0.969 17 residues pruned to eliminate duplicates Z: 25 16.424 1.618 0.601 0.900 0.958 0.833 CB 0.965 25 residues pruned to eliminate duplicates Z: 13 15.041 1.601 0.527 0.875 1.000 0.917 CB 1.292 10 residues pruned to eliminate duplicates Z: 13 13.296 1.727 0.520 0.851 1.000 0.750 CB 1.082 13 residues pruned to eliminate duplicates 6 1.776 1.321 -0.122 0.282 0.800 0.600 N 1.095 ? Z: 11 4.833 1.645 0.112 0.497 0.700 0.400 CB 1.198 11 residues pruned to eliminate duplicates Z: 10 6.737 1.317 0.640 0.774 0.778 0.444 O 1.049 Z: 12 14.399 1.720 0.389 0.862 1.000 0.818 CA 1.334 12 residues pruned to eliminate duplicates Z: 13 11.144 1.541 0.437 0.869 1.000 0.833 CB 1.061 12 residues pruned to eliminate duplicates Z: 8 15.213 1.663 0.924 0.863 1.000 1.000 CB 1.319 8 residues pruned to eliminate duplicates Z: 6 7.741 1.565 0.743 0.619 1.000 0.600 O 1.134 Z: 8 7.072 1.466 0.387 0.746 0.857 0.714 CA 1.231 7 residues pruned to eliminate duplicates Z: 15 15.906 1.692 0.603 0.873 1.000 0.714 CB 1.142 14 residues pruned to eliminate duplicates Z: 6 4.118 1.510 0.732 0.280 0.800 0.600 O 1.129 Z: 7 4.653 1.405 0.324 0.756 0.833 0.500 CB 0.976 Z: 12 14.943 1.775 0.586 0.751 0.909 0.545 CB 1.408 12 residues pruned to eliminate duplicates Z: 14 13.961 1.707 0.691 0.631 0.923 0.692 CB 1.285 14 residues pruned to eliminate duplicates Z: 6 4.372 1.537 0.684 0.618 0.800 0.600 CB 0.845 Z: 11 9.619 1.543 0.845 0.890 1.000 0.700 CB 0.768 10 residues pruned to eliminate duplicates Z: 10 7.484 1.746 0.365 0.435 0.889 0.556 CB 1.260 Z: 8 3.553 1.433 0.404 0.348 0.857 0.429 CB 0.918 Z: 7 7.085 1.505 0.474 0.807 1.000 0.833 CA 0.998 7 residues pruned to eliminate duplicates Z: 6 3.967 1.600 0.004 0.640 0.800 0.600 CB 1.211 Z: 26 22.143 1.694 0.758 0.902 0.960 0.720 CB 1.105 26 residues pruned to eliminate duplicates Z: 25 14.996 1.476 0.769 0.841 0.833 0.375 CB 1.049 10 residues pruned to eliminate duplicates Z: 11 11.617 1.685 0.463 0.880 1.000 0.600 N 1.080 11 residues pruned to eliminate duplicates Z: 11 11.582 1.683 0.859 0.897 1.000 0.800 CB 0.838 Z: 9 6.988 1.241 0.684 0.684 1.000 0.625 N 0.999 Z: 11 11.643 1.642 0.677 0.831 0.900 0.700 CB 1.117 11 residues pruned to eliminate duplicates Z: 25 10.677 1.749 0.575 0.379 0.833 0.500 CB 1.080 35 residues pruned to eliminate duplicates Z: 9 6.104 1.475 0.424 0.605 0.875 0.875 N 1.063 Z: 13 12.463 1.653 0.430 0.939 1.000 0.917 CB 1.058 11 residues pruned to eliminate duplicates Z: 6 2.315 1.584 -0.208 0.344 0.800 0.400 CB 1.221 Z: 26 11.630 1.599 0.697 0.560 0.720 0.520 CB 1.123 26 residues pruned to eliminate duplicates Z: 16 18.463 1.668 0.773 0.835 0.933 0.867 CB 1.294 16 residues pruned to eliminate duplicates Z: 23 13.042 1.587 0.431 0.906 1.000 0.864 CB 0.871 24 residues pruned to eliminate duplicates Z: 14 13.722 1.590 0.606 0.899 1.000 0.846 CB 1.065 11 residues pruned to eliminate duplicates Z: 11 10.931 1.702 0.388 0.912 1.000 1.000 CB 1.036 8 residues pruned to eliminate duplicates Z: 12 2.908 1.396 0.639 0.278 0.727 0.364 N 0.677 Z: 11 13.705 1.686 0.330 0.922 1.000 0.800 N 1.359 11 residues pruned to eliminate duplicates Z: 13 12.843 1.643 0.961 0.809 0.917 0.500 CB 0.959 13 residues pruned to eliminate duplicates Z: 11 13.379 1.612 0.575 0.828 1.000 0.800 CA 1.254 10 residues pruned to eliminate duplicates Z: 45 17.225 1.758 0.540 0.420 0.909 0.682 CB 1.147 43 residues pruned to eliminate duplicates Z: 7 3.353 1.335 0.360 0.756 1.000 0.667 CB 0.600 Z: 6 2.733 1.445 0.249 0.410 0.800 0.600 O 0.930 Z: 11 5.999 1.597 0.257 0.345 0.900 0.400 CB 1.243 Z: 13 6.632 1.568 0.547 0.833 0.917 0.667 CB 0.645 13 residues pruned to eliminate duplicates Z: 19 17.208 1.734 0.914 0.605 0.944 0.667 CB 1.170 21 residues pruned to eliminate duplicates Z: 13 16.650 1.801 0.722 0.886 0.917 0.833 CB 1.220 13 residues pruned to eliminate duplicates Z: 13 11.948 1.596 0.420 0.902 1.000 1.000 CB 1.086 13 residues pruned to eliminate duplicates Z: 10 16.858 1.722 0.570 0.866 1.000 0.889 CB 1.521 10 residues pruned to eliminate duplicates Z: 22 15.532 1.737 0.806 0.506 0.905 0.476 CB 1.187 21 residues pruned to eliminate duplicates Z: 7 5.082 1.559 1.148 0.466 0.833 0.500 CB 0.770 Z: 15 13.595 1.656 0.465 0.878 0.929 0.786 CB 1.171 15 residues pruned to eliminate duplicates Z: 14 18.024 1.739 0.627 0.884 1.000 1.000 CB 1.276 14 residues pruned to eliminate duplicates Z: 6 3.278 1.517 0.181 0.455 0.800 0.800 N 1.072 Z: 16 9.104 1.606 0.794 0.438 0.933 0.467 CB 0.932 Z: 7 8.974 1.635 1.119 0.368 1.000 0.833 CB 1.218 Z: 11 12.335 1.638 0.270 0.898 1.000 0.900 CB 1.341 11 residues pruned to eliminate duplicates Z: 10 6.113 1.482 0.600 0.429 0.778 0.556 CB 1.189 Z: 16 10.570 1.587 0.813 0.717 0.933 0.667 CB 0.835 Z: 19 14.450 1.584 0.551 0.938 1.000 0.889 CB 0.964 19 residues pruned to eliminate duplicates Z: 7 6.400 1.535 0.989 0.484 0.833 0.833 CB 1.044 Z: 6 6.903 1.578 0.347 0.795 1.000 1.000 N 1.122 Z: 12 19.052 1.733 1.025 0.744 0.909 0.636 CB 1.447 12 residues pruned to eliminate duplicates Z: 12 14.575 1.698 0.652 0.840 1.000 1.000 CB 1.169 12 residues pruned to eliminate duplicates Z: 8 7.561 1.369 0.778 0.760 1.000 0.571 CA 0.931 Z: 11 3.426 1.492 0.095 0.296 0.700 0.600 CB 1.190 7 residues pruned to eliminate duplicates Z: 9 15.518 1.626 1.245 0.782 0.875 0.625 CB 1.340 9 residues pruned to eliminate duplicates Z: 8 15.805 1.827 1.081 0.821 1.000 0.857 CB 1.190 8 residues pruned to eliminate duplicates Z: 21 15.059 1.588 0.615 0.925 1.000 0.950 CB 0.921 21 residues pruned to eliminate duplicates Z: 8 12.643 1.621 0.601 0.904 1.000 0.857 CB 1.312 8 residues pruned to eliminate duplicates Z: 14 14.859 1.586 0.858 0.813 0.923 0.538 CB 1.154 14 residues pruned to eliminate duplicates Z: 19 12.458 1.593 0.417 0.655 0.944 0.778 CB 1.193 13 residues pruned to eliminate duplicates Z: 13 10.853 1.788 0.279 0.912 1.000 1.000 CB 0.970 13 residues pruned to eliminate duplicates Z: 6 5.621 1.584 0.762 0.429 1.000 0.400 CB 0.970 Z: 12 6.183 1.503 0.608 0.274 0.909 0.636 CB 1.096 Z: 10 6.711 1.557 0.365 0.813 0.778 0.556 CB 1.030 10 residues pruned to eliminate duplicates Z: 7 5.191 1.418 0.256 0.555 1.000 0.667 CA 1.127 Z: 7 5.074 1.432 1.060 0.349 0.833 0.500 O 0.992 Z: 14 19.168 1.777 0.899 0.935 1.000 0.923 CB 1.098 15 residues pruned to eliminate duplicates Z: 15 12.012 1.647 0.465 0.873 1.000 0.857 CB 0.968 15 residues pruned to eliminate duplicates Z: 8 8.605 1.617 0.609 0.607 0.857 0.714 CB 1.318 17 residues pruned to eliminate duplicates Z: 8 10.358 1.775 0.689 0.577 1.000 0.714 CB 1.213 8 residues pruned to eliminate duplicates Z: 10 14.315 1.611 0.943 0.814 1.000 0.556 N 1.160 14 residues pruned to eliminate duplicates Z: 8 3.663 1.357 0.870 0.214 0.857 0.286 N 0.891 Z: 8 4.758 1.517 0.558 0.364 0.714 0.286 O 1.233 Z: 8 5.811 1.560 0.312 0.600 0.857 0.571 CB 1.138 8 residues pruned to eliminate duplicates Z: 9 4.563 1.521 0.402 0.393 0.875 0.375 CB 0.968 Z: 13 16.012 1.622 0.681 0.867 0.917 0.833 CA 1.352 13 residues pruned to eliminate duplicates Z: 7 6.174 1.570 0.557 0.504 0.833 0.667 N 1.233 Z: 15 11.178 1.530 0.614 0.867 1.000 0.929 CB 0.885 14 residues pruned to eliminate duplicates Z: 10 9.084 1.552 0.675 0.840 1.000 0.778 CB 0.869 Z: 10 5.966 1.468 0.495 0.408 0.778 0.778 CB 1.284 Z: 14 11.201 1.669 0.720 0.378 0.923 0.692 CB 1.336 19 residues pruned to eliminate duplicates Z: 15 16.091 1.627 0.720 0.906 1.000 0.429 CB 1.093 15 residues pruned to eliminate duplicates Z: 6 6.399 1.675 0.291 0.654 1.000 1.000 CB 1.147 Z: 10 4.046 1.407 0.194 0.343 0.889 0.667 CB 1.071 Z: 20 16.191 1.737 0.688 0.708 0.895 0.737 CB 1.172 20 residues pruned to eliminate duplicates 6 1.661 1.213 0.334 0.289 1.000 0.400 N 0.582 ? Z: 13 20.626 1.666 0.890 0.876 1.000 0.583 CB 1.374 13 residues pruned to eliminate duplicates Z: 16 7.757 1.503 0.487 0.603 0.800 0.333 CB 1.015 16 residues pruned to eliminate duplicates Z: 14 18.070 1.703 0.657 0.895 1.000 0.923 CB 1.273 14 residues pruned to eliminate duplicates Z: 26 16.527 1.454 0.680 0.878 0.960 0.680 CB 1.023 25 residues pruned to eliminate duplicates Z: 28 21.448 1.634 0.805 0.882 0.963 0.593 CB 1.051 28 residues pruned to eliminate duplicates Z: 11 21.234 1.724 1.019 0.911 1.000 0.700 N 1.368 11 residues pruned to eliminate duplicates Z: 10 9.696 1.627 0.700 0.849 0.889 0.556 CB 0.974 10 residues pruned to eliminate duplicates Z: 18 12.353 1.475 0.430 0.921 1.000 0.941 CB 1.000 17 residues pruned to eliminate duplicates Z: 26 19.317 1.645 0.655 0.897 0.960 0.800 CB 1.058 26 residues pruned to eliminate duplicates Z: 18 7.956 1.644 0.432 0.332 0.882 0.529 CB 1.117 18 residues pruned to eliminate duplicates Z: 11 7.207 1.594 0.775 0.386 0.900 0.800 CB 1.011 10 residues pruned to eliminate duplicates Z: 16 5.697 1.474 0.534 0.275 0.800 0.467 CB 1.049 Z: 6 4.472 1.480 0.687 0.688 1.000 0.800 CB 0.674 Z: 14 17.750 1.607 0.862 0.877 0.923 0.615 N 1.295 14 residues pruned to eliminate duplicates Z: 10 13.090 1.652 0.391 0.841 1.000 0.778 N 1.415 10 residues pruned to eliminate duplicates Z: 29 21.076 1.708 0.879 0.689 0.964 0.714 CB 1.082 26 residues pruned to eliminate duplicates Z: 12 21.173 1.812 0.718 0.840 1.000 0.727 CB 1.531 12 residues pruned to eliminate duplicates Z: 10 10.619 1.556 0.420 0.840 1.000 0.778 N 1.196 10 residues pruned to eliminate duplicates Z: 10 4.349 1.566 0.361 0.346 0.889 0.222 CB 0.905 5 residues pruned to eliminate duplicates Z: 16 7.937 1.577 0.684 0.397 0.867 0.400 CB 0.992 11 residues pruned to eliminate duplicates Z: 7 3.583 1.496 0.750 0.401 0.667 0.333 CB 0.930 Z: 14 9.110 1.536 0.272 0.820 0.923 0.615 CB 1.062 14 residues pruned to eliminate duplicates Z: 6 5.002 1.560 0.275 0.862 1.000 0.800 CB 0.826 Z: 6 3.520 1.732 0.389 0.621 0.400 0.400 N 1.459 Z: 9 5.531 1.360 0.476 0.567 0.875 0.625 CB 1.043 7 residues pruned to eliminate duplicates Z: 12 19.968 1.772 0.762 0.878 1.000 0.818 CB 1.400 12 residues pruned to eliminate duplicates Z: 6 5.115 1.466 0.355 0.799 0.800 0.600 CB 1.108 Z: 11 15.138 1.748 0.531 0.888 1.000 0.900 CB 1.289 11 residues pruned to eliminate duplicates Z: 13 15.400 1.564 0.742 0.851 1.000 0.833 CB 1.208 13 residues pruned to eliminate duplicates Z: 7 6.935 1.581 0.478 0.781 1.000 0.833 CB 0.946 Z: 12 5.700 1.478 0.397 0.446 0.909 0.545 CB 0.968 12 residues pruned to eliminate duplicates Z: 8 11.028 1.701 0.942 0.891 1.000 0.857 CB 0.907 8 residues pruned to eliminate duplicates Z: 14 5.497 1.468 0.541 0.172 0.846 0.462 CB 1.185 Z: 15 12.873 1.561 0.844 0.783 0.929 0.286 CB 1.004 15 residues pruned to eliminate duplicates Z: 11 3.691 1.275 0.676 0.370 1.000 0.400 CB 0.628 Z: 28 12.658 1.641 0.697 0.665 0.852 0.519 CB 0.882 28 residues pruned to eliminate duplicates Z: 13 15.363 1.620 0.942 0.893 0.917 0.833 CB 1.104 13 residues pruned to eliminate duplicates Z: 7 4.652 1.484 0.103 0.692 0.833 0.667 CA 1.167 7 residues pruned to eliminate duplicates Z: 13 13.930 1.611 0.437 0.893 1.000 0.917 CB 1.247 14 residues pruned to eliminate duplicates Z: 7 3.275 1.518 0.089 0.503 1.000 0.167 CB 0.806 Z: 8 12.992 1.543 0.977 0.817 1.000 0.571 N 1.222 8 residues pruned to eliminate duplicates Z: 6 4.954 1.528 0.412 0.559 1.000 0.800 CB 0.970 Z: 11 9.487 1.603 0.293 0.846 0.800 0.700 N 1.345 11 residues pruned to eliminate duplicates Z: 17 16.081 1.574 0.571 0.866 1.000 0.812 CB 1.190 17 residues pruned to eliminate duplicates Z: 9 8.396 1.402 0.772 0.822 0.875 0.625 N 1.033 9 residues pruned to eliminate duplicates Z: 8 3.308 1.419 0.229 0.636 0.857 0.714 CB 0.736 7 residues pruned to eliminate duplicates Z: 13 16.982 1.726 0.776 0.841 1.000 0.750 CB 1.193 13 residues pruned to eliminate duplicates Z: 11 7.568 1.429 0.821 0.814 0.800 0.600 CB 0.875 11 residues pruned to eliminate duplicates Z: 19 14.674 1.545 0.760 0.918 1.000 0.833 CB 0.897 19 residues pruned to eliminate duplicates Z: 8 5.714 1.535 0.758 0.806 0.857 0.857 CB 0.715 6 residues pruned to eliminate duplicates Z: 14 9.691 1.547 0.164 0.893 1.000 0.846 CB 1.072 14 residues pruned to eliminate duplicates Z: 25 12.796 1.664 0.458 0.647 0.875 0.708 CB 1.073 22 residues pruned to eliminate duplicates Z: 6 2.118 1.237 0.310 0.699 0.800 0.600 N 0.609 Z: 13 12.156 1.513 0.645 0.832 0.833 0.333 CB 1.270 13 residues pruned to eliminate duplicates Z: 7 5.783 1.446 0.536 0.682 0.833 0.667 CB 1.079 Z: 21 14.362 1.587 0.593 0.928 1.000 0.800 CB 0.890 21 residues pruned to eliminate duplicates Z: 20 18.092 1.791 0.791 0.642 0.895 0.789 CB 1.267 12 residues pruned to eliminate duplicates Z: 8 6.227 1.264 1.141 0.621 0.857 0.571 CB 0.905 Z: 10 9.922 1.594 0.802 0.888 0.778 0.778 CB 1.066 9 residues pruned to eliminate duplicates Z: 6 3.791 1.565 0.518 0.470 0.800 0.400 O 0.920 Z: 11 6.019 1.494 0.643 0.375 0.900 0.600 CA 0.985 11 residues pruned to eliminate duplicates Z: 10 7.034 1.456 0.581 0.581 0.889 0.444 CB 1.060 Z: 15 19.636 1.729 0.617 0.882 1.000 0.857 CB 1.359 15 residues pruned to eliminate duplicates Z: 18 7.639 1.530 0.327 0.479 0.941 0.471 CB 0.990 18 residues pruned to eliminate duplicates Z: 14 8.713 1.561 0.460 0.859 0.923 0.846 CB 0.845 14 residues pruned to eliminate duplicates Z: 10 8.546 1.356 0.780 0.921 1.000 1.000 CB 0.830 Z: 13 20.814 1.759 0.721 0.912 1.000 0.917 CB 1.406 13 residues pruned to eliminate duplicates Z: 24 13.840 1.537 0.452 0.935 0.957 0.913 CB 0.942 17 residues pruned to eliminate duplicates Z: 21 17.766 1.594 0.701 0.860 1.000 0.700 CB 1.078 23 residues pruned to eliminate duplicates Z: 13 5.573 1.464 0.399 0.523 0.917 0.500 CB 0.838 13 residues pruned to eliminate duplicates Z: 6 2.538 1.509 0.359 0.299 0.800 0.600 CB 0.866 Z: 8 5.604 1.515 0.223 0.576 0.857 0.571 N 1.239 8 residues pruned to eliminate duplicates Z: 12 6.041 1.463 0.727 0.639 0.909 0.636 CB 0.696 12 residues pruned to eliminate duplicates Z: 15 12.672 1.433 0.710 0.849 0.929 0.643 CB 1.103 16 residues pruned to eliminate duplicates Z: 11 14.069 1.645 0.469 0.895 1.000 0.800 CB 1.320 11 residues pruned to eliminate duplicates 7 1.794 1.495 0.559 0.262 0.667 0.500 CB 0.619 ? Z: 9 3.597 1.366 0.151 0.810 0.875 0.875 CB 0.706 7 residues pruned to eliminate duplicates Z: 8 6.220 1.642 0.398 0.508 1.000 1.000 CB 1.016 13 residues pruned to eliminate duplicates Z: 14 16.853 1.655 0.731 0.909 1.000 0.769 CB 1.158 14 residues pruned to eliminate duplicates Z: 6 3.309 1.612 -0.032 0.519 0.800 0.800 CB 1.164 6 residues pruned to eliminate duplicates Z: 16 17.101 1.631 0.585 0.901 1.000 0.867 CB 1.220 16 residues pruned to eliminate duplicates Z: 9 5.511 1.447 0.471 0.581 0.875 0.625 CB 0.968 8 residues pruned to eliminate duplicates Z: 8 4.827 1.448 0.010 0.647 1.000 0.714 N 1.087 5 residues pruned to eliminate duplicates Z: 11 7.966 1.590 0.765 0.443 0.900 0.500 CB 1.057 13 residues pruned to eliminate duplicates Z: 13 5.339 1.615 0.361 0.389 0.750 0.500 CB 1.052 10 residues pruned to eliminate duplicates Z: 15 7.304 1.444 0.638 0.885 1.000 0.929 CB 0.596 Z: 7 2.066 1.330 0.661 0.287 0.833 0.333 CB 0.582 Z: 15 12.539 1.532 0.679 0.838 1.000 0.857 CB 0.974 21 residues pruned to eliminate duplicates Z: 9 2.855 1.291 0.209 0.365 0.875 0.500 CB 0.854 Z: 8 4.443 1.489 0.361 0.530 1.000 0.571 CB 0.805 Z: 13 10.614 1.564 0.668 0.807 1.000 0.583 CB 0.899 13 residues pruned to eliminate duplicates Z: 13 17.352 1.701 0.733 0.906 1.000 0.833 CB 1.208 13 residues pruned to eliminate duplicates Z: 11 12.202 1.645 0.238 0.888 1.000 1.000 CB 1.366 11 residues pruned to eliminate duplicates Z: 6 2.837 1.414 0.352 0.388 0.800 0.400 O 0.934 Z: 7 8.479 1.483 1.009 0.680 1.000 0.667 CB 0.985 Z: 10 10.562 1.501 0.281 0.883 1.000 1.000 O 1.323 8 residues pruned to eliminate duplicates Z: 11 6.049 1.554 0.416 0.396 1.000 0.600 CB 0.970 11 residues pruned to eliminate duplicates Z: 12 6.278 1.541 0.486 0.354 0.909 0.545 CB 1.065 12 residues pruned to eliminate duplicates Z: 26 15.245 1.560 0.516 0.940 0.960 0.800 CB 0.933 26 residues pruned to eliminate duplicates Z: 10 10.266 1.477 0.467 0.787 1.000 0.667 CA 1.228 10 residues pruned to eliminate duplicates 8 1.980 1.284 0.713 0.247 0.571 0.286 N 0.797 ? Z: 15 14.426 1.653 0.462 0.680 1.000 0.786 CB 1.352 11 residues pruned to eliminate duplicates Z: 13 22.060 1.739 0.976 0.869 1.000 0.833 CB 1.355 13 residues pruned to eliminate duplicates Z: 22 14.896 1.653 0.698 0.942 1.000 0.952 CB 0.803 22 residues pruned to eliminate duplicates Z: 8 6.170 1.471 0.543 0.739 1.000 0.571 N 0.829 8 residues pruned to eliminate duplicates Z: 7 2.338 1.321 0.623 0.372 0.667 0.333 CB 0.766 Z: 7 3.078 1.385 0.610 0.275 0.667 0.333 N 1.092 Z: 12 8.716 1.597 0.700 0.520 0.909 0.636 CB 1.044 9 residues pruned to eliminate duplicates Z: 22 10.289 1.576 0.391 0.888 0.952 0.810 CB 0.775 22 residues pruned to eliminate duplicates Z: 27 24.952 1.655 0.805 0.902 1.000 0.885 CB 1.168 28 residues pruned to eliminate duplicates Z: 16 10.077 1.640 0.295 0.609 1.000 0.533 CB 1.105 16 residues pruned to eliminate duplicates Z: 16 18.683 1.708 0.544 0.876 1.000 0.933 CB 1.330 16 residues pruned to eliminate duplicates Z: 8 5.348 1.480 0.371 0.692 0.714 0.571 CB 1.169 7 residues pruned to eliminate duplicates Z: 13 12.810 1.713 0.777 0.447 0.917 0.750 CA 1.400 17 residues pruned to eliminate duplicates Z: 10 8.715 1.567 0.480 0.875 1.000 1.000 CB 0.911 Z: 16 10.444 1.531 0.514 0.941 1.000 1.000 CB 0.807 15 residues pruned to eliminate duplicates Z: 20 13.557 1.649 0.819 0.578 0.895 0.579 CB 1.075 20 residues pruned to eliminate duplicates Z: 7 6.956 1.390 0.776 0.756 1.000 0.667 CB 0.916 Z: 36 17.320 1.772 0.596 0.465 0.886 0.600 CB 1.211 36 residues pruned to eliminate duplicates Z: 6 4.235 1.353 0.711 0.821 0.800 0.800 CB 0.774 6 residues pruned to eliminate duplicates 6 1.295 1.617 0.135 0.424 0.800 0.400 CB 0.427 ? Z: 10 13.174 1.681 0.573 0.798 1.000 0.667 N 1.280 10 residues pruned to eliminate duplicates Z: 19 9.790 1.378 0.328 0.858 0.944 0.833 CB 0.983 14 residues pruned to eliminate duplicates Z: 14 4.422 1.424 0.771 0.325 0.692 0.385 CB 0.851 Z: 8 5.099 1.463 0.336 0.447 1.000 0.714 N 1.041 5 residues pruned to eliminate duplicates Z: 11 3.971 1.336 0.739 0.352 0.800 0.400 CB 0.793 Z: 8 6.895 1.524 0.850 0.417 0.857 0.571 CB 1.175 7 residues pruned to eliminate duplicates Z: 7 7.498 1.394 1.111 0.664 1.000 0.667 CB 0.893 Z: 11 5.784 1.510 0.468 0.260 0.900 0.400 N 1.207 6 residues pruned to eliminate duplicates Z: 14 12.736 1.588 0.473 0.886 1.000 0.923 CB 1.089 14 residues pruned to eliminate duplicates Z: 6 3.396 1.360 0.670 0.577 0.800 0.600 CB 0.776 7 residues pruned to eliminate duplicates 6 1.291 1.296 -0.095 0.323 0.800 0.600 CB 0.748 ? Z: 9 10.454 1.721 0.532 0.583 0.875 0.750 CB 1.478 Z: 11 15.544 1.699 0.411 0.892 1.000 1.000 CA 1.473 11 residues pruned to eliminate duplicates Z: 13 23.560 1.787 0.891 0.856 1.000 0.833 N 1.484 13 residues pruned to eliminate duplicates Z: 21 15.119 1.516 0.569 0.920 0.950 0.950 CB 1.053 21 residues pruned to eliminate duplicates Z: 21 18.993 1.879 0.700 0.514 0.950 0.450 CB 1.381 15 residues pruned to eliminate duplicates Z: 12 9.711 1.365 0.644 0.887 1.000 0.818 CB 0.941 Z: 8 4.899 1.573 0.281 0.763 0.857 0.857 CB 0.849 8 residues pruned to eliminate duplicates Z: 15 10.286 1.577 0.541 0.807 0.929 0.929 CB 0.932 15 residues pruned to eliminate duplicates Z: 10 7.001 1.467 0.625 0.654 1.000 0.667 CB 0.849 Z: 7 3.398 1.335 0.557 0.402 0.667 0.500 N 1.109 5 residues pruned to eliminate duplicates Z: 9 4.946 1.576 0.222 0.629 0.750 0.375 N 1.073 9 residues pruned to eliminate duplicates Z: 8 7.157 1.611 0.465 0.586 0.857 0.714 CB 1.231 8 residues pruned to eliminate duplicates Z: 6 2.127 1.390 0.450 0.318 0.600 0.400 CB 0.962 5 residues pruned to eliminate duplicates Z: 8 5.348 1.353 0.323 0.511 1.000 0.571 CB 1.117 Z: 24 8.689 1.644 0.695 0.419 0.739 0.478 CB 0.957 23 residues pruned to eliminate duplicates Z: 12 7.219 1.532 0.952 0.511 0.818 0.545 CB 0.880 19 residues pruned to eliminate duplicates Z: 16 7.636 1.571 0.453 0.460 0.800 0.600 CB 1.125 15 residues pruned to eliminate duplicates Z: 12 15.640 1.613 0.850 0.884 1.000 0.727 CB 1.142 12 residues pruned to eliminate duplicates Z: 18 8.791 1.575 0.383 0.537 0.824 0.471 CB 1.145 14 residues pruned to eliminate duplicates Z: 6 2.779 1.376 0.738 0.432 0.600 0.600 CB 0.930 Z: 14 10.929 1.760 0.678 0.587 0.769 0.538 CB 1.228 14 residues pruned to eliminate duplicates Z: 8 5.214 1.542 0.152 0.406 1.000 0.429 CB 1.224 4 residues pruned to eliminate duplicates Z: 15 15.803 1.559 0.566 0.816 1.000 0.500 CB 1.315 15 residues pruned to eliminate duplicates Z: 6 5.024 1.543 0.572 0.674 1.000 0.600 CB 0.789 Z: 15 16.617 1.714 0.610 0.917 1.000 0.857 CB 1.136 15 residues pruned to eliminate duplicates Z: 13 16.165 1.759 0.421 0.931 1.000 1.000 CB 1.305 13 residues pruned to eliminate duplicates Z: 9 7.481 1.527 0.707 0.648 0.875 0.625 CB 1.010 9 residues pruned to eliminate duplicates Z: 14 18.501 1.610 0.844 0.854 0.923 0.846 CB 1.383 14 residues pruned to eliminate duplicates Z: 8 4.156 1.353 1.001 0.855 0.857 0.571 CB 0.499 Z: 8 2.474 1.197 0.715 0.197 0.857 0.286 N 0.763 Z: 8 3.373 1.517 0.545 0.457 0.714 0.286 CB 0.796 Z: 6 5.093 1.479 0.699 0.339 1.000 0.600 O 1.081 Z: 9 2.504 1.432 0.672 0.271 0.750 0.500 CB 0.640 6 residues pruned to eliminate duplicates Z: 8 7.640 1.547 0.670 0.897 1.000 0.857 CB 0.800 8 residues pruned to eliminate duplicates Z: 21 11.167 1.604 0.330 0.577 0.950 0.700 CB 1.144 16 residues pruned to eliminate duplicates Z: 8 2.273 1.307 0.666 0.240 0.714 0.429 CB 0.747 Z: 12 9.188 1.332 0.715 0.909 1.000 0.727 CB 0.861 Z: 10 7.994 1.555 0.662 0.503 0.889 0.667 N 1.157 11 residues pruned to eliminate duplicates Z: 11 14.025 1.659 0.862 0.834 0.800 0.800 CB 1.345 11 residues pruned to eliminate duplicates Z: 13 10.441 1.554 0.356 0.869 0.917 0.750 CB 1.140 13 residues pruned to eliminate duplicates Z: 9 5.205 1.385 0.506 0.665 0.750 0.500 CB 1.010 9 residues pruned to eliminate duplicates Z: 12 10.096 1.594 0.120 0.932 1.000 1.000 CB 1.191 11 residues pruned to eliminate duplicates Z: 12 5.984 1.428 0.499 0.492 0.909 0.545 CB 0.935 Z: 8 2.613 1.455 0.073 0.231 0.857 0.714 CB 1.009 Z: 7 5.014 1.478 0.370 0.797 0.833 0.500 CB 0.936 8 residues pruned to eliminate duplicates Z: 7 3.896 1.399 0.603 0.597 0.833 0.833 CB 0.776 Z: 12 5.542 1.286 0.324 0.868 1.000 0.636 CB 0.718 9 residues pruned to eliminate duplicates Z: 6 2.699 1.299 0.353 0.291 0.800 0.400 CA 1.085 Z: 13 11.257 1.734 0.267 0.839 1.000 0.833 CB 1.105 13 residues pruned to eliminate duplicates Z: 7 9.274 1.651 0.785 0.755 1.000 0.333 CB 1.024 Z: 8 5.028 1.478 0.176 0.732 0.857 0.571 CB 1.035 8 residues pruned to eliminate duplicates Z: 7 4.434 1.525 0.599 0.400 0.667 0.333 CB 1.237 Z: 7 2.834 1.240 0.587 0.231 0.833 0.500 N 0.965 Z: 17 10.968 1.543 0.407 0.890 0.938 0.875 CB 0.969 17 residues pruned to eliminate duplicates Z: 7 2.329 1.282 0.966 0.439 0.667 0.500 CB 0.603 Z: 10 6.639 1.531 0.543 0.538 0.889 0.778 CB 1.016 8 residues pruned to eliminate duplicates Z: 13 5.528 1.372 0.562 0.484 0.750 0.750 N 1.009 7 residues pruned to eliminate duplicates Z: 16 16.391 1.624 0.786 0.889 1.000 0.733 CB 1.051 16 residues pruned to eliminate duplicates Z: 6 8.474 1.499 0.536 0.795 1.000 1.000 N 1.270 6 residues pruned to eliminate duplicates Z: 22 22.607 1.681 1.144 0.647 0.952 0.714 CB 1.253 34 residues pruned to eliminate duplicates Z: 17 7.207 1.535 0.441 0.405 0.812 0.688 CB 1.107 17 residues pruned to eliminate duplicates Z: 9 5.299 1.436 0.350 0.479 0.875 0.500 N 1.128 Z: 11 8.685 1.703 0.844 0.899 1.000 0.900 CB 0.625 11 residues pruned to eliminate duplicates Z: 7 2.929 1.356 0.095 0.583 1.000 0.667 CB 0.744 Z: 12 12.644 1.555 0.443 0.864 1.000 0.818 CB 1.247 12 residues pruned to eliminate duplicates Z: 18 15.203 1.698 0.772 0.599 0.824 0.647 CB 1.354 21 residues pruned to eliminate duplicates Z: 7 2.121 1.608 0.591 0.083 0.667 0.500 CB 0.871 Z: 13 21.446 1.770 0.893 0.825 1.000 0.833 CA 1.394 13 residues pruned to eliminate duplicates Z: 49 18.365 1.715 0.586 0.476 0.854 0.604 CB 1.170 46 residues pruned to eliminate duplicates Z: 9 9.092 1.564 0.519 0.808 1.000 0.625 CB 1.034 9 residues pruned to eliminate duplicates Z: 14 22.517 1.697 1.254 0.861 0.923 0.615 CB 1.299 14 residues pruned to eliminate duplicates Z: 6 2.257 1.311 0.903 0.298 0.600 0.600 N 0.845 Z: 23 15.272 1.617 0.653 0.934 0.955 0.818 CB 0.890 23 residues pruned to eliminate duplicates Z: 9 5.471 1.635 0.411 0.330 0.875 0.625 CB 1.154 9 residues pruned to eliminate duplicates Z: 9 6.659 1.242 0.897 0.863 1.000 0.875 CB 0.733 9 residues pruned to eliminate duplicates Z: 16 14.866 1.636 0.589 0.904 1.000 0.867 CB 1.051 16 residues pruned to eliminate duplicates Z: 8 6.888 1.442 0.591 0.885 1.000 1.000 CB 0.819 7 residues pruned to eliminate duplicates Z: 6 4.745 1.306 0.712 0.793 0.800 0.600 N 0.918 6 residues pruned to eliminate duplicates Z: 6 3.570 1.358 0.210 0.433 1.000 0.400 CB 1.042 Z: 9 3.947 1.474 0.479 0.794 0.875 0.875 CB 0.565 Z: 10 9.635 1.552 0.591 0.746 1.000 0.556 CB 1.043 10 residues pruned to eliminate duplicates Z: 13 11.513 1.600 0.330 0.914 1.000 1.000 CB 1.104 13 residues pruned to eliminate duplicates Z: 15 15.440 1.713 0.562 0.879 1.000 1.000 CB 1.119 15 residues pruned to eliminate duplicates Z: 14 6.482 1.521 0.140 0.638 0.923 0.538 CB 0.987 15 residues pruned to eliminate duplicates Z: 14 7.482 1.509 0.428 0.424 0.923 0.462 CA 1.129 Z: 10 11.041 1.649 0.573 0.856 1.000 0.778 CB 1.046 10 residues pruned to eliminate duplicates Z: 7 2.470 1.312 0.182 0.398 0.833 0.833 CB 0.869 Z: 16 14.147 1.555 0.806 0.875 1.000 0.800 CB 0.946 17 residues pruned to eliminate duplicates Z: 7 3.318 1.337 0.704 0.643 0.667 0.333 N 0.780 Z: 7 5.759 1.334 0.754 0.635 1.000 0.500 CB 0.886 7 residues pruned to eliminate duplicates Z: 11 4.855 1.684 0.574 0.216 0.800 0.700 CB 1.012 11 residues pruned to eliminate duplicates Z: 10 4.195 1.391 0.525 0.438 0.778 0.444 CB 0.904 8 residues pruned to eliminate duplicates Z: 8 4.722 1.457 0.604 0.505 0.714 0.571 CB 1.063 8 residues pruned to eliminate duplicates Z: 8 2.209 1.460 0.467 0.235 0.571 0.286 N 0.928 Z: 9 4.427 1.614 0.120 0.373 1.000 0.375 CB 0.992 9 residues pruned to eliminate duplicates Z: 20 12.708 1.518 0.859 0.613 0.947 0.684 CB 0.980 13 residues pruned to eliminate duplicates Z: 11 2.830 1.422 0.243 0.355 0.800 0.700 CB 0.740 11 residues pruned to eliminate duplicates Z: 11 12.190 1.648 0.454 0.910 1.000 0.900 CB 1.141 11 residues pruned to eliminate duplicates Z: 12 7.782 1.466 0.334 0.582 1.000 0.545 CB 1.109 Z: 13 6.607 1.395 0.647 0.364 0.917 0.583 N 1.048 Z: 15 12.927 1.578 0.674 0.868 1.000 0.643 CB 0.956 15 residues pruned to eliminate duplicates Z: 9 6.584 1.584 0.501 0.483 1.000 0.375 CB 0.996 6 residues pruned to eliminate duplicates Z: 20 11.166 1.637 0.770 0.505 0.895 0.579 CB 0.982 17 residues pruned to eliminate duplicates Z: 7 3.670 1.383 0.709 0.393 0.833 0.833 CB 0.852 Z: 17 11.727 1.582 0.638 0.904 1.000 0.812 CB 0.806 15 residues pruned to eliminate duplicates Z: 6 2.635 1.410 0.266 0.552 0.600 0.600 CB 1.046 Z: 27 15.807 1.588 0.494 0.886 0.962 0.808 CB 0.981 27 residues pruned to eliminate duplicates Z: 12 11.002 1.662 0.331 0.908 1.000 1.000 CB 1.065 11 residues pruned to eliminate duplicates Z: 12 7.524 1.411 0.372 0.764 0.818 0.364 N 1.133 17 residues pruned to eliminate duplicates Z: 8 5.890 1.397 0.579 0.867 1.000 0.714 CB 0.738 Z: 26 17.259 1.646 0.758 0.896 0.920 0.840 CB 0.929 26 residues pruned to eliminate duplicates Z: 12 18.818 1.751 1.051 0.860 0.909 0.545 CB 1.279 12 residues pruned to eliminate duplicates Z: 22 19.837 1.753 0.868 0.557 0.905 0.667 CB 1.382 20 residues pruned to eliminate duplicates Z: 7 2.255 1.488 0.098 0.361 0.500 0.333 CB 1.309 7 residues pruned to eliminate duplicates Z: 14 10.879 1.427 0.734 0.849 0.846 0.615 CB 1.068 14 residues pruned to eliminate duplicates Z: 6 2.498 1.396 0.381 0.489 1.000 0.400 CB 0.586 Z: 8 4.542 1.557 0.574 0.364 0.857 0.286 N 0.946 Z: 14 13.406 1.567 0.555 0.896 1.000 0.846 CB 1.093 14 residues pruned to eliminate duplicates Z: 6 7.600 1.373 0.962 0.810 0.800 0.800 N 1.204 6 residues pruned to eliminate duplicates Z: 10 3.118 1.420 0.132 0.406 0.778 0.556 CB 0.918 Z: 11 8.503 1.661 0.279 0.889 1.000 0.900 CB 0.911 11 residues pruned to eliminate duplicates Z: 9 3.010 1.454 -0.019 0.499 0.750 0.500 CB 0.996 10 1.641 1.288 0.213 0.298 0.667 0.444 CB 0.658 ? Z: 10 5.830 1.424 0.693 0.493 0.778 0.444 N 1.043 10 residues pruned to eliminate duplicates Z: 6 5.372 1.585 0.608 0.872 1.000 1.000 CB 0.687 6 residues pruned to eliminate duplicates Z: 12 9.439 1.478 0.431 0.874 1.000 0.909 CB 0.979 11 residues pruned to eliminate duplicates Z: 8 3.712 1.495 0.383 0.315 0.714 0.286 CB 1.166 Z: 13 4.165 1.572 0.470 0.358 0.750 0.500 CB 0.809 Z: 14 17.328 1.716 0.705 0.893 0.923 0.692 CB 1.277 14 residues pruned to eliminate duplicates Z: 9 5.374 1.441 0.486 0.845 1.000 0.875 CB 0.659 Z: 8 2.745 1.594 0.510 0.476 0.857 0.429 CB 0.515 8 residues pruned to eliminate duplicates Z: 16 10.049 1.587 0.702 0.891 1.000 0.800 CB 0.691 16 residues pruned to eliminate duplicates Z: 8 6.501 1.307 0.430 0.776 1.000 0.857 CA 1.030 8 residues pruned to eliminate duplicates Z: 10 3.374 1.229 0.758 0.164 0.778 0.333 CB 1.008 Z: 13 20.698 1.753 0.876 0.896 1.000 0.833 CB 1.301 13 residues pruned to eliminate duplicates Z: 11 4.319 1.495 0.349 0.455 0.800 0.500 CB 0.887 Z: 24 13.703 1.724 0.670 0.517 0.870 0.522 CB 1.122 24 residues pruned to eliminate duplicates Z: 7 2.412 1.452 -0.242 0.518 0.833 0.333 CB 1.054 Z: 19 16.106 1.755 0.624 0.628 1.000 0.722 CB 1.180 19 residues pruned to eliminate duplicates Z: 20 9.523 1.534 0.557 0.526 0.789 0.632 CB 1.130 20 residues pruned to eliminate duplicates Z: 10 5.618 1.461 0.230 0.707 1.000 0.556 CB 0.863 Z: 12 8.302 1.594 0.391 0.827 1.000 0.818 CB 0.851 12 residues pruned to eliminate duplicates Z: 9 6.279 1.133 0.946 0.731 0.875 0.625 N 0.934 9 residues pruned to eliminate duplicates Z: 8 2.509 1.525 -0.065 0.296 1.000 0.429 CB 0.835 Z: 14 10.664 1.613 0.644 0.728 0.923 0.692 CB 0.984 14 residues pruned to eliminate duplicates Z: 14 11.475 1.616 0.476 0.700 0.923 0.538 CB 1.205 14 residues pruned to eliminate duplicates Z: 9 2.889 1.392 0.024 0.561 0.875 0.375 CB 0.772 7 residues pruned to eliminate duplicates 7 1.718 1.655 0.217 0.860 1.000 1.000 CB 0.256 ? Z: 8 3.564 1.349 0.251 0.593 0.714 0.571 CB 1.022 Z: 22 11.301 1.612 0.662 0.453 0.857 0.333 CB 1.127 22 residues pruned to eliminate duplicates Z: 6 3.044 1.654 0.232 0.607 1.000 1.000 CB 0.604 6 residues pruned to eliminate duplicates 6 0.479 1.364 0.197 0.261 0.800 0.400 N 0.215 ? Z: 9 5.802 1.356 0.744 0.421 0.875 0.625 CB 1.077 7 1.495 1.525 1.038 0.831 1.000 0.833 CB 0.148 ? Z: 12 9.742 1.485 0.594 0.881 1.000 0.818 CB 0.899 11 residues pruned to eliminate duplicates Z: 7 2.332 1.381 0.319 0.243 0.833 0.667 N 0.844 Z: 6 4.769 1.461 0.566 0.516 0.800 0.600 CA 1.147 6 residues pruned to eliminate duplicates Z: 12 2.594 1.406 0.166 0.224 0.636 0.182 CB 1.035 Z: 6 2.599 1.275 0.694 0.682 0.600 0.400 CB 0.759 Z: 17 11.738 1.417 0.539 0.731 1.000 0.688 CB 1.093 17 residues pruned to eliminate duplicates Z: 6 2.133 1.579 -0.172 0.389 0.800 0.600 CB 1.027 7 residues pruned to eliminate duplicates Z: 13 12.588 1.596 0.727 0.900 1.000 1.000 CB 0.941 13 residues pruned to eliminate duplicates Z: 18 15.276 1.652 0.543 0.888 1.000 0.824 CB 1.048 18 residues pruned to eliminate duplicates Z: 9 4.964 1.399 0.518 0.618 0.750 0.500 CB 0.985 9 residues pruned to eliminate duplicates Z: 19 10.990 1.487 0.650 0.528 0.944 0.667 CB 1.087 13 residues pruned to eliminate duplicates Z: 12 12.809 1.660 1.019 0.468 0.909 0.455 CA 1.309 20 residues pruned to eliminate duplicates Z: 14 9.383 1.409 0.431 0.884 1.000 0.923 CB 0.933 12 residues pruned to eliminate duplicates Z: 11 4.927 1.518 0.245 0.360 0.800 0.600 CB 1.199 11 residues pruned to eliminate duplicates Z: 10 8.358 1.585 0.736 0.868 1.000 0.889 CB 0.740 10 residues pruned to eliminate duplicates Z: 19 5.395 1.533 0.256 0.380 0.778 0.500 CB 0.966 Z: 6 2.731 1.273 0.233 0.292 1.000 0.800 CB 0.983 Z: 8 3.923 1.464 0.276 0.586 0.857 0.571 CB 0.853 8 residues pruned to eliminate duplicates Z: 24 16.026 1.610 0.820 0.917 0.957 0.783 CB 0.841 24 residues pruned to eliminate duplicates Z: 6 6.954 1.619 0.485 0.663 1.000 0.800 CB 1.112 6 residues pruned to eliminate duplicates Z: 9 10.784 1.514 0.934 0.675 1.000 0.875 CB 1.108 9 residues pruned to eliminate duplicates Z: 11 13.471 1.671 0.515 0.898 1.000 1.000 CB 1.203 11 residues pruned to eliminate duplicates Z: 12 12.051 1.691 1.056 0.828 1.000 0.636 CB 0.787 12 residues pruned to eliminate duplicates Z: 7 7.887 1.542 0.731 0.651 1.000 0.667 N 1.048 7 residues pruned to eliminate duplicates Z: 23 19.169 1.653 0.765 0.912 1.000 0.818 CB 0.992 23 residues pruned to eliminate duplicates Z: 16 13.665 1.642 0.926 0.864 0.933 0.733 CB 0.876 16 residues pruned to eliminate duplicates Z: 11 8.322 1.658 0.443 0.770 1.000 0.400 CB 0.866 11 residues pruned to eliminate duplicates Z: 18 16.035 1.685 0.594 0.924 0.941 0.824 CB 1.081 18 residues pruned to eliminate duplicates Z: 13 10.653 1.519 0.413 0.923 1.000 0.833 CB 1.007 13 residues pruned to eliminate duplicates Z: 9 7.617 1.483 0.523 0.750 1.000 0.875 CB 0.954 Z: 11 10.928 1.647 0.604 0.844 0.800 0.700 CB 1.216 11 residues pruned to eliminate duplicates Z: 18 6.973 1.395 0.533 0.389 0.824 0.412 N 1.080 12 residues pruned to eliminate duplicates Z: 17 13.677 1.473 0.731 0.888 1.000 0.562 CB 0.967 17 residues pruned to eliminate duplicates Z: 6 3.504 1.174 0.536 0.811 0.800 0.600 CB 0.828 6 1.176 1.009 0.409 0.473 0.800 0.400 N 0.475 ? Z: 6 2.869 1.233 0.698 0.342 0.800 0.400 N 0.910 Z: 10 9.301 1.719 0.898 0.434 1.000 0.667 CB 1.017 10 residues pruned to eliminate duplicates Z: 16 11.168 1.486 0.490 0.883 1.000 1.000 CB 0.942 16 residues pruned to eliminate duplicates Z: 24 13.375 1.566 0.648 0.887 0.957 0.652 CB 0.815 24 residues pruned to eliminate duplicates Z: 18 12.251 1.640 0.387 0.686 1.000 0.706 CB 1.101 12 residues pruned to eliminate duplicates Z: 13 8.148 1.390 0.372 0.935 1.000 1.000 CB 0.859 13 residues pruned to eliminate duplicates Z: 12 2.673 1.330 0.674 0.823 0.909 0.818 CB 0.301 Z: 16 10.914 1.524 0.309 0.919 1.000 0.800 CB 0.995 12 residues pruned to eliminate duplicates Z: 7 5.743 1.598 0.360 0.579 1.000 0.500 CB 1.000 7 residues pruned to eliminate duplicates Z: 12 8.420 1.560 0.567 0.919 1.000 0.909 CB 0.732 11 residues pruned to eliminate duplicates Z: 8 4.982 1.445 0.484 0.704 0.857 0.714 CB 0.851 8 residues pruned to eliminate duplicates Z: 23 11.188 1.496 0.533 0.589 0.864 0.409 CB 1.106 25 residues pruned to eliminate duplicates Z: 10 5.049 1.508 0.481 0.418 0.778 0.667 N 1.055 10 residues pruned to eliminate duplicates Z: 7 4.853 1.597 0.009 0.512 1.000 0.500 CB 1.216 8 residues pruned to eliminate duplicates Z: 10 5.510 1.434 0.790 0.250 0.889 0.444 CB 1.073 10 residues pruned to eliminate duplicates 8 1.748 1.352 -0.039 0.485 0.857 0.571 CB 0.602 ? Z: 6 2.249 1.248 0.604 0.376 1.000 0.400 CB 0.573 Z: 8 2.739 1.371 0.482 0.409 0.714 0.429 CB 0.785 8 residues pruned to eliminate duplicates Z: 9 5.869 1.569 0.481 0.429 0.875 0.375 CB 1.099 Z: 9 5.861 1.323 0.504 0.747 0.750 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 6 3.262 1.698 0.100 0.745 1.000 0.600 CB 0.628 3 residues pruned to eliminate duplicates Z: 9 4.251 1.569 0.242 0.389 0.875 0.625 CB 0.992 8 residues pruned to eliminate duplicates Z: 26 21.695 1.657 0.770 0.904 0.960 0.760 CB 1.097 26 residues pruned to eliminate duplicates Z: 14 13.333 1.606 0.747 0.581 1.000 0.538 CB 1.220 14 residues pruned to eliminate duplicates 6 1.435 1.333 0.193 0.331 0.600 0.400 CB 0.809 ? Z: 16 6.597 1.423 0.549 0.420 0.733 0.133 CB 1.145 6 residues pruned to eliminate duplicates 1155 residues left after pruning, divided into chains as follows: A: 13 B: 14 C: 12 D: 6 E: 6 F: 7 G: 34 H: 29 I: 30 J: 9 K: 6 L: 7 M: 13 N: 9 O: 10 P: 14 Q: 20 R: 8 S: 10 T: 23 U: 8 V: 27 W: 14 X: 10 Y: 20 Z: 15 Z: 6 Z: 16 Z: 7 Z: 6 Z: 20 Z: 12 Z: 12 Z: 15 Z: 10 Z: 11 Z: 30 Z: 59 Z: 8 Z: 6 Z: 25 Z: 8 Z: 15 Z: 6 Z: 9 Z: 6 Z: 22 Z: 18 Z: 15 Z: 11 Z: 8 Z: 21 Z: 11 Z: 6 Z: 9 Z: 10 Z: 15 Z: 22 Z: 14 Z: 23 Z: 14 Z: 24 Z: 16 Z: 26 Z: 34 Z: 7 Z: 25 Z: 6 Z: 18 Z: 8 Z: 31 Z: 16 Z: 40 Z: 24 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 32.25 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.372, Connect. = 0.656 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.683 for dens.mod. cycle 2 = 0.300, Contrast = 0.518, Connect. = 0.714 for dens.mod. cycle 3 = 0.300, Contrast = 0.531, Connect. = 0.718 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.722 for dens.mod. cycle 5 = 0.300, Contrast = 0.550, Connect. = 0.725 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.727 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.729 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.731 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.732 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4561 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1174 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 22.266 1.882 0.940 0.874 1.000 0.818 N 1.338 B: 8 9.146 1.809 0.468 0.792 0.857 0.857 CB 1.175 C: 13 11.336 1.522 0.561 0.773 0.917 0.667 N 1.181 8 residues pruned to eliminate duplicates D: 26 12.887 1.685 0.507 0.487 0.840 0.520 CB 1.225 E: 10 23.476 2.051 0.845 0.913 1.000 0.889 CB 1.463 F: 12 11.802 1.601 1.128 0.792 0.727 0.545 CB 1.112 G: 11 14.397 1.802 0.526 0.790 0.900 0.700 CB 1.425 H: 14 20.715 1.746 0.619 0.876 1.000 0.846 CA 1.477 I: 21 15.528 1.768 0.475 0.637 0.950 0.550 CB 1.234 26 residues pruned to eliminate duplicates J: 15 14.418 1.701 0.689 0.910 0.929 0.714 CB 1.025 K: 11 19.605 1.814 0.928 0.894 1.000 1.000 CA 1.272 L: 12 13.200 1.765 0.366 0.888 1.000 0.727 CB 1.190 M: 14 21.474 1.698 0.888 0.909 1.000 0.923 CB 1.318 N: 12 21.278 1.911 0.707 0.907 1.000 0.909 CB 1.398 O: 11 12.215 1.688 0.695 0.853 1.000 0.600 CB 0.998 P: 11 21.373 2.020 0.843 0.855 1.000 0.600 CB 1.340 11 residues pruned to eliminate duplicates Q: 10 15.399 1.932 0.285 0.869 1.000 0.778 CA 1.511 10 residues pruned to eliminate duplicates R: 19 8.654 1.658 0.347 0.551 0.889 0.611 CB 0.978 S: 14 25.328 1.750 1.016 0.873 1.000 0.615 CA 1.450 15 residues pruned to eliminate duplicates T: 13 13.542 1.818 0.945 0.795 0.917 0.583 CB 0.932 13 residues pruned to eliminate duplicates U: 12 12.559 1.750 0.630 0.742 0.727 0.455 N 1.469 V: 13 26.058 1.924 0.969 0.841 1.000 0.667 CA 1.482 13 residues pruned to eliminate duplicates W: 15 15.420 1.827 0.564 0.885 0.929 0.929 CB 1.122 X: 15 14.010 1.744 0.636 0.886 0.929 0.714 CB 1.020 15 residues pruned to eliminate duplicates Y: 8 8.392 1.629 0.861 0.562 0.857 0.429 CB 1.150 Z: 23 23.841 1.917 0.689 0.622 0.955 0.545 CB 1.466 13 residues pruned to eliminate duplicates Z: 16 17.132 1.729 0.303 0.840 1.000 0.933 CB 1.465 Z: 11 15.007 1.883 0.654 0.797 0.900 0.800 N 1.305 11 residues pruned to eliminate duplicates Z: 12 14.945 1.776 0.545 0.797 1.000 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 14 6.573 1.671 0.435 0.282 0.769 0.385 N 1.264 Z: 12 18.155 1.750 0.666 0.817 1.000 0.636 CB 1.425 10 residues pruned to eliminate duplicates Z: 13 16.987 1.662 0.637 0.923 1.000 1.000 N 1.267 Z: 17 9.412 1.821 0.342 0.403 0.812 0.438 CB 1.313 Z: 12 15.910 1.786 0.855 0.769 0.909 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 11 14.553 1.847 0.582 0.851 1.000 0.800 N 1.166 11 residues pruned to eliminate duplicates Z: 12 18.519 1.861 0.445 0.910 1.000 0.909 CB 1.472 Z: 14 15.086 1.731 0.361 0.897 1.000 0.923 CB 1.271 Z: 10 6.944 1.822 0.839 0.843 1.000 0.778 CB 0.514 Z: 11 17.921 1.878 0.399 0.907 1.000 0.900 CA 1.533 11 residues pruned to eliminate duplicates Z: 14 22.689 1.825 0.736 0.902 1.000 1.000 CA 1.416 14 residues pruned to eliminate duplicates Z: 14 22.260 1.765 0.641 0.922 1.000 1.000 CB 1.499 14 residues pruned to eliminate duplicates Z: 14 20.682 1.907 0.628 0.930 1.000 1.000 CB 1.293 15 residues pruned to eliminate duplicates Z: 13 12.531 1.617 0.673 0.870 0.917 0.583 CB 1.065 Z: 28 21.448 1.733 0.687 0.848 0.963 0.667 CB 1.087 13 residues pruned to eliminate duplicates Z: 11 16.904 1.882 0.521 0.891 1.000 0.900 CB 1.343 Z: 22 8.222 1.697 0.311 0.379 0.810 0.476 CB 1.134 Z: 11 19.224 1.885 0.718 0.891 1.000 0.900 CB 1.349 11 residues pruned to eliminate duplicates Z: 15 24.845 1.709 0.998 0.839 1.000 0.643 CA 1.453 15 residues pruned to eliminate duplicates Z: 11 16.093 1.872 0.859 0.875 0.900 0.800 CB 1.182 11 residues pruned to eliminate duplicates Z: 19 22.757 1.764 0.642 0.895 1.000 0.722 CB 1.327 21 residues pruned to eliminate duplicates Z: 12 15.778 1.832 0.349 0.912 1.000 0.909 CB 1.363 12 residues pruned to eliminate duplicates Z: 15 20.209 1.833 0.606 0.846 1.000 0.643 CB 1.363 16 residues pruned to eliminate duplicates Z: 13 17.993 1.653 0.906 0.852 0.917 0.667 CB 1.329 12 residues pruned to eliminate duplicates Z: 13 19.264 1.788 0.774 0.913 1.000 0.917 CB 1.240 13 residues pruned to eliminate duplicates Z: 14 17.115 1.633 0.519 0.865 1.000 0.692 N 1.403 Z: 14 13.677 1.622 0.618 0.767 0.923 0.769 N 1.236 16 residues pruned to eliminate duplicates Z: 11 16.315 1.806 0.516 0.835 1.000 0.500 CB 1.412 Z: 13 7.179 1.816 0.633 0.190 0.833 0.583 CB 1.215 10 residues pruned to eliminate duplicates Z: 13 16.580 1.639 0.996 0.826 0.917 0.583 N 1.204 13 residues pruned to eliminate duplicates Z: 16 17.697 1.768 0.597 0.825 1.000 0.600 CB 1.222 16 residues pruned to eliminate duplicates Z: 13 16.887 1.755 0.631 0.865 0.917 0.750 CB 1.361 13 residues pruned to eliminate duplicates Z: 13 15.637 1.844 0.653 0.889 0.917 0.667 CB 1.163 11 residues pruned to eliminate duplicates Z: 12 20.344 1.775 0.722 0.893 1.000 0.636 N 1.440 13 residues pruned to eliminate duplicates Z: 12 9.867 1.683 -0.044 0.905 1.000 0.909 CB 1.316 Z: 12 17.206 1.766 0.585 0.868 1.000 0.727 CB 1.355 12 residues pruned to eliminate duplicates Z: 15 14.714 1.717 0.872 0.913 0.929 0.786 CB 0.933 15 residues pruned to eliminate duplicates Z: 12 21.781 1.846 0.923 0.819 1.000 0.909 CB 1.402 12 residues pruned to eliminate duplicates Z: 25 13.312 1.781 0.723 0.394 0.750 0.583 CB 1.321 19 residues pruned to eliminate duplicates Z: 30 19.400 1.828 0.648 0.593 0.862 0.552 CB 1.269 32 residues pruned to eliminate duplicates Z: 8 7.345 1.751 0.333 0.895 1.000 1.000 CB 0.852 Z: 14 19.386 1.894 0.781 0.914 1.000 1.000 CB 1.127 14 residues pruned to eliminate duplicates Z: 28 22.719 1.704 0.602 0.872 0.963 0.630 CB 1.212 26 residues pruned to eliminate duplicates Z: 11 12.535 1.768 0.531 0.697 1.000 0.600 CB 1.223 11 residues pruned to eliminate duplicates Z: 20 15.070 1.693 0.603 0.899 0.947 0.737 CB 0.961 Z: 14 15.433 1.668 0.446 0.887 1.000 0.846 CB 1.280 12 residues pruned to eliminate duplicates Z: 11 16.332 1.963 0.374 0.874 1.000 0.700 CB 1.394 11 residues pruned to eliminate duplicates Z: 10 12.726 1.659 0.519 0.842 1.000 1.000 CB 1.254 13 residues pruned to eliminate duplicates Z: 13 16.827 1.750 0.647 0.902 1.000 0.833 CB 1.202 Z: 26 21.917 1.744 0.737 0.861 0.880 0.640 CB 1.207 28 residues pruned to eliminate duplicates Z: 17 16.217 1.749 0.569 0.923 1.000 0.875 CB 1.039 17 residues pruned to eliminate duplicates Z: 11 17.379 1.844 0.828 0.886 1.000 0.900 CB 1.176 11 residues pruned to eliminate duplicates Z: 12 14.077 1.744 0.526 0.911 1.000 0.909 CB 1.130 12 residues pruned to eliminate duplicates Z: 13 16.415 1.899 0.409 0.915 1.000 0.833 CB 1.251 13 residues pruned to eliminate duplicates Z: 7 4.784 1.765 0.897 0.845 0.833 0.833 CB 0.520 Z: 13 15.394 1.916 0.428 0.907 1.000 1.000 CB 1.154 13 residues pruned to eliminate duplicates Z: 13 12.351 1.711 0.257 0.909 1.000 1.000 CB 1.176 11 residues pruned to eliminate duplicates Z: 11 17.954 1.893 0.594 0.887 1.000 0.900 CB 1.357 11 residues pruned to eliminate duplicates Z: 19 14.867 1.611 0.459 0.911 1.000 0.889 CB 1.056 20 residues pruned to eliminate duplicates Z: 25 27.164 1.761 0.805 0.929 1.000 0.875 CB 1.221 26 residues pruned to eliminate duplicates Z: 31 19.521 1.840 0.570 0.577 0.900 0.467 CB 1.273 31 residues pruned to eliminate duplicates Z: 15 17.305 1.865 0.798 0.846 0.929 0.929 CB 1.103 15 residues pruned to eliminate duplicates Z: 12 22.763 1.858 0.927 0.914 1.000 0.909 CA 1.355 11 residues pruned to eliminate duplicates Z: 13 7.633 1.601 0.744 0.398 0.833 0.500 CB 1.054 13 residues pruned to eliminate duplicates Z: 20 20.299 1.939 0.802 0.623 0.842 0.684 CB 1.409 20 residues pruned to eliminate duplicates Z: 15 12.536 1.691 0.979 0.862 0.929 0.714 CB 0.792 Z: 8 6.463 1.898 0.415 0.440 0.714 0.571 N 1.354 8 residues pruned to eliminate duplicates Z: 8 9.561 1.740 0.492 0.880 1.000 1.000 CB 1.009 8 residues pruned to eliminate duplicates Z: 12 12.944 1.586 0.470 0.905 1.000 0.909 CB 1.192 11 residues pruned to eliminate duplicates Z: 8 9.727 1.735 0.819 0.875 1.000 1.000 CB 0.848 8 residues pruned to eliminate duplicates Z: 24 15.278 1.659 0.701 0.882 0.957 0.783 CB 0.854 Z: 13 15.122 1.717 0.554 0.796 1.000 0.750 N 1.263 13 residues pruned to eliminate duplicates Z: 13 20.859 1.894 0.896 0.896 1.000 0.583 CB 1.201 12 residues pruned to eliminate duplicates Z: 12 16.385 1.825 0.680 0.878 1.000 0.818 CB 1.169 11 residues pruned to eliminate duplicates Z: 14 19.090 1.731 0.592 0.897 1.000 0.692 N 1.375 14 residues pruned to eliminate duplicates Z: 6 4.461 1.665 0.176 0.461 1.000 0.800 CB 1.060 Z: 10 14.101 1.712 0.768 0.855 1.000 0.667 CB 1.146 16 residues pruned to eliminate duplicates Z: 14 16.220 1.713 0.346 0.896 1.000 1.000 CA 1.397 14 residues pruned to eliminate duplicates Z: 11 9.216 1.508 0.111 0.886 1.000 1.000 O 1.255 Z: 11 15.018 1.734 0.648 0.886 1.000 0.900 CB 1.198 11 residues pruned to eliminate duplicates Z: 11 14.651 1.822 0.469 0.861 0.900 0.800 CB 1.414 Z: 7 3.973 1.580 0.552 0.447 0.667 0.500 CB 1.048 Z: 26 25.446 1.775 0.705 0.934 1.000 0.920 CB 1.173 25 residues pruned to eliminate duplicates Z: 12 11.600 1.747 0.748 0.510 0.727 0.364 N 1.560 29 residues pruned to eliminate duplicates Z: 6 9.235 1.758 1.060 0.592 1.000 0.600 CB 1.044 Z: 21 8.487 1.768 0.637 0.261 0.800 0.450 CB 1.077 20 residues pruned to eliminate duplicates Z: 12 10.249 1.745 0.420 0.495 0.909 0.455 CB 1.378 12 residues pruned to eliminate duplicates Z: 12 16.918 1.785 0.667 0.779 0.909 0.636 CB 1.474 12 residues pruned to eliminate duplicates Z: 14 23.776 1.820 0.965 0.830 0.923 0.769 CB 1.503 14 residues pruned to eliminate duplicates Z: 10 5.968 1.496 0.106 0.832 0.889 0.667 CB 1.016 Z: 6 2.884 1.541 0.162 0.409 0.800 0.800 O 0.991 Z: 11 16.256 1.790 0.661 0.910 1.000 0.800 CB 1.226 11 residues pruned to eliminate duplicates Z: 13 13.006 1.702 0.221 0.872 1.000 0.750 CB 1.317 13 residues pruned to eliminate duplicates Z: 24 24.066 1.777 0.577 0.895 1.000 0.565 CB 1.284 24 residues pruned to eliminate duplicates Z: 9 8.978 1.864 0.601 0.456 0.875 0.500 N 1.271 9 residues pruned to eliminate duplicates Z: 10 7.994 1.694 0.512 0.553 0.778 0.778 CB 1.271 10 residues pruned to eliminate duplicates Z: 14 13.829 1.774 0.504 0.902 0.923 0.692 CB 1.111 14 residues pruned to eliminate duplicates Z: 17 14.563 1.885 0.574 0.620 0.938 0.750 CB 1.169 17 residues pruned to eliminate duplicates Z: 9 8.825 1.497 0.525 0.876 1.000 0.875 CB 0.993 Z: 8 7.751 1.534 0.567 0.643 1.000 0.571 CB 1.066 Z: 8 4.508 1.557 0.508 0.402 0.714 0.286 CB 1.126 Z: 31 15.332 1.658 0.668 0.467 0.933 0.600 CB 1.121 23 residues pruned to eliminate duplicates Z: 6 5.709 1.759 0.482 0.542 1.000 0.800 CB 0.939 Z: 11 14.251 1.876 0.460 0.891 1.000 0.800 CB 1.183 11 residues pruned to eliminate duplicates Z: 10 11.799 1.767 0.715 0.831 0.778 0.333 CB 1.254 10 residues pruned to eliminate duplicates Z: 7 5.442 1.717 0.607 0.786 1.000 0.500 CB 0.626 Z: 13 21.431 1.845 0.766 0.890 1.000 0.750 CB 1.366 13 residues pruned to eliminate duplicates Z: 15 15.076 1.855 0.282 0.911 1.000 0.929 CB 1.201 15 residues pruned to eliminate duplicates Z: 12 13.897 1.749 0.566 0.796 0.909 0.727 CB 1.298 12 residues pruned to eliminate duplicates Z: 13 13.454 1.788 0.672 0.864 1.000 0.833 CB 0.952 12 residues pruned to eliminate duplicates Z: 11 16.175 1.852 0.320 0.905 1.000 0.900 CB 1.489 11 residues pruned to eliminate duplicates Z: 8 3.916 1.494 0.137 0.370 1.000 0.714 CB 1.002 Z: 14 16.587 1.773 0.471 0.928 1.000 1.000 CB 1.235 Z: 11 11.910 1.732 0.513 0.806 0.900 0.600 CB 1.223 11 residues pruned to eliminate duplicates Z: 17 8.804 1.578 0.461 0.540 0.938 0.500 CB 0.979 Z: 9 5.703 1.750 0.450 0.415 0.750 0.375 CB 1.157 Z: 16 16.212 1.772 0.604 0.938 1.000 1.000 CB 1.024 16 residues pruned to eliminate duplicates Z: 12 15.248 1.756 0.415 0.903 1.000 0.909 CB 1.318 12 residues pruned to eliminate duplicates Z: 6 4.167 1.721 0.915 0.467 1.000 0.600 CB 0.585 Z: 11 7.482 1.563 0.295 0.886 1.000 0.900 CB 0.843 5 residues pruned to eliminate duplicates Z: 23 16.422 1.723 0.436 0.920 0.909 0.864 CB 1.095 23 residues pruned to eliminate duplicates Z: 14 14.712 1.645 0.502 0.835 0.923 0.692 CA 1.341 14 residues pruned to eliminate duplicates Z: 14 9.473 1.604 0.705 0.833 0.692 0.538 CB 1.041 12 residues pruned to eliminate duplicates Z: 10 15.043 1.855 0.361 0.877 1.000 0.889 CB 1.443 10 residues pruned to eliminate duplicates Z: 14 17.096 1.882 0.561 0.926 1.000 1.000 CB 1.132 14 residues pruned to eliminate duplicates Z: 7 3.251 1.720 0.473 0.440 0.667 0.500 CB 0.837 Z: 9 11.432 1.911 0.440 0.880 1.000 1.000 CB 1.064 9 residues pruned to eliminate duplicates Z: 11 15.419 1.790 0.468 0.867 1.000 0.900 CA 1.357 11 residues pruned to eliminate duplicates Z: 14 19.360 1.679 0.899 0.850 0.923 0.692 CB 1.351 13 residues pruned to eliminate duplicates Z: 9 7.079 1.735 0.969 0.796 0.875 0.625 CB 0.646 9 residues pruned to eliminate duplicates Z: 14 13.667 1.762 0.436 0.908 0.923 0.615 CB 1.153 14 residues pruned to eliminate duplicates Z: 9 3.449 1.598 0.431 0.168 0.625 0.625 CB 1.277 9 residues pruned to eliminate duplicates Z: 8 8.289 1.705 0.445 0.818 1.000 0.857 CB 0.965 Z: 11 6.124 1.815 0.457 0.319 1.000 0.500 CB 0.895 Z: 10 11.060 1.728 0.118 0.878 1.000 0.778 CB 1.385 10 residues pruned to eliminate duplicates Z: 18 6.688 1.652 0.221 0.491 0.882 0.529 CB 0.919 18 residues pruned to eliminate duplicates Z: 8 12.749 1.811 0.668 0.843 1.000 0.714 CB 1.188 8 residues pruned to eliminate duplicates Z: 23 18.785 1.850 0.832 0.565 0.864 0.682 CB 1.285 21 residues pruned to eliminate duplicates Z: 7 13.183 1.737 0.631 0.893 1.000 1.000 CB 1.364 7 residues pruned to eliminate duplicates Z: 13 17.547 1.761 0.509 0.856 1.000 0.833 CB 1.406 13 residues pruned to eliminate duplicates Z: 12 11.223 1.881 0.240 0.883 1.000 0.909 CB 1.049 11 residues pruned to eliminate duplicates Z: 14 12.893 1.652 0.583 0.722 0.923 0.846 N 1.213 14 residues pruned to eliminate duplicates Z: 9 6.102 1.558 0.422 0.537 0.875 0.750 N 1.074 Z: 9 5.295 1.520 0.055 0.863 0.875 0.750 CB 0.979 Z: 12 16.055 1.822 0.604 0.884 1.000 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 7 5.621 1.630 0.707 0.866 1.000 0.667 CB 0.604 Z: 12 12.162 1.705 0.315 0.901 1.000 1.000 CB 1.167 Z: 8 2.992 1.693 0.170 0.362 0.857 0.429 CB 0.773 Z: 8 7.432 1.713 0.487 0.849 0.857 0.857 CB 0.954 8 residues pruned to eliminate duplicates Z: 6 5.194 1.592 0.710 0.431 0.800 0.600 CB 1.145 Z: 7 4.205 1.780 0.400 0.764 0.833 0.667 CB 0.654 Z: 14 20.492 1.752 0.696 0.919 1.000 0.846 CB 1.348 14 residues pruned to eliminate duplicates Z: 14 14.921 1.722 0.535 0.803 1.000 0.538 CB 1.201 14 residues pruned to eliminate duplicates Z: 15 19.164 1.734 0.654 0.924 1.000 0.857 CB 1.254 13 residues pruned to eliminate duplicates Z: 25 16.264 1.739 0.666 0.725 0.958 0.667 CB 0.976 22 residues pruned to eliminate duplicates Z: 12 15.894 1.785 0.773 0.858 1.000 0.818 CB 1.114 12 residues pruned to eliminate duplicates Z: 16 6.850 1.669 0.177 0.320 0.800 0.467 N 1.372 14 residues pruned to eliminate duplicates Z: 14 8.160 1.671 0.526 0.384 0.769 0.769 CB 1.304 Z: 7 2.491 1.402 0.911 0.235 0.667 0.333 N 0.774 Z: 12 19.432 1.744 0.852 0.825 1.000 0.636 CB 1.368 11 residues pruned to eliminate duplicates Z: 15 17.508 1.669 0.566 0.893 1.000 0.714 CB 1.285 14 residues pruned to eliminate duplicates Z: 13 16.210 1.719 0.371 0.883 1.000 0.917 CB 1.437 13 residues pruned to eliminate duplicates Z: 19 10.649 1.752 0.717 0.605 0.778 0.556 CB 0.971 8 residues pruned to eliminate duplicates Z: 7 6.641 1.405 0.969 0.539 0.833 0.500 CB 1.132 6 1.934 1.685 0.193 0.365 0.800 0.600 CB 0.621 ? Z: 15 16.499 1.553 0.810 0.893 1.000 0.786 CB 1.126 13 residues pruned to eliminate duplicates Z: 8 5.351 1.662 0.213 0.374 0.857 0.429 N 1.338 Z: 6 4.883 1.888 -0.117 0.346 1.000 0.600 CB 1.548 6 residues pruned to eliminate duplicates Z: 8 4.454 1.501 0.520 0.409 0.857 0.571 CB 0.947 Z: 24 20.295 1.787 0.483 0.897 1.000 0.957 CB 1.143 24 residues pruned to eliminate duplicates Z: 6 3.289 1.361 0.291 0.575 0.800 0.600 O 0.973 Z: 13 8.596 1.715 0.591 0.634 0.917 0.500 CB 0.875 13 residues pruned to eliminate duplicates Z: 14 6.622 1.608 0.309 0.522 0.846 0.615 CB 1.010 14 residues pruned to eliminate duplicates Z: 7 4.308 1.600 0.551 0.838 0.833 0.667 CB 0.636 Z: 22 15.961 1.627 0.435 0.871 0.905 0.810 CB 1.202 22 residues pruned to eliminate duplicates Z: 12 13.887 1.600 0.765 0.744 1.000 0.455 CA 1.192 12 residues pruned to eliminate duplicates Z: 9 13.274 1.730 0.491 0.914 1.000 1.000 CB 1.287 Z: 11 4.147 1.751 0.354 0.183 0.800 0.300 CB 1.012 11 residues pruned to eliminate duplicates Z: 12 17.113 2.049 0.670 0.690 0.909 0.636 CB 1.394 12 residues pruned to eliminate duplicates Z: 8 10.683 1.783 1.283 0.825 0.857 0.571 CB 0.874 8 residues pruned to eliminate duplicates Z: 7 4.664 1.768 0.589 0.242 0.667 0.667 CB 1.370 Z: 6 4.231 1.615 0.457 0.717 0.800 0.200 CB 0.826 6 residues pruned to eliminate duplicates Z: 11 11.493 1.577 0.244 0.889 1.000 0.900 CB 1.333 11 residues pruned to eliminate duplicates Z: 30 21.867 1.776 0.612 0.604 0.931 0.517 CB 1.379 35 residues pruned to eliminate duplicates Z: 7 7.525 1.483 0.647 0.874 1.000 0.833 CB 0.916 7 residues pruned to eliminate duplicates Z: 9 5.086 1.478 0.383 0.503 0.875 0.500 CB 1.002 Z: 12 16.929 1.707 1.039 0.847 0.909 0.636 N 1.197 12 residues pruned to eliminate duplicates Z: 26 15.249 1.776 0.569 0.712 0.960 0.440 CB 0.941 17 residues pruned to eliminate duplicates Z: 6 2.503 1.508 -0.066 0.541 1.000 0.400 CB 0.763 Z: 9 3.613 1.489 0.548 0.343 0.750 0.500 N 0.877 Z: 14 16.835 1.660 1.126 0.894 0.923 0.769 CB 1.028 13 residues pruned to eliminate duplicates Z: 14 14.424 1.653 0.807 0.832 0.923 0.538 CB 1.090 14 residues pruned to eliminate duplicates Z: 12 14.829 1.654 0.646 0.823 0.909 0.727 CB 1.365 12 residues pruned to eliminate duplicates Z: 7 4.949 1.392 0.518 0.669 0.667 0.500 N 1.227 Z: 17 18.188 1.701 0.715 0.883 0.938 0.750 CB 1.202 17 residues pruned to eliminate duplicates Z: 6 2.406 1.405 0.749 0.496 0.800 0.600 CB 0.550 Z: 11 22.292 1.814 0.914 0.853 1.000 0.400 N 1.501 12 residues pruned to eliminate duplicates Z: 9 4.603 1.614 0.571 0.742 0.875 0.750 CB 0.591 7 1.979 1.557 0.035 0.313 0.667 0.333 CB 0.925 ? Z: 10 11.321 1.673 0.700 0.841 0.889 0.667 CB 1.112 9 residues pruned to eliminate duplicates Z: 13 12.042 1.776 0.194 0.871 0.917 0.917 CB 1.304 13 residues pruned to eliminate duplicates Z: 11 12.276 1.809 0.385 0.814 0.900 0.700 CB 1.310 10 residues pruned to eliminate duplicates Z: 6 2.498 1.645 0.404 0.302 0.800 0.200 CB 0.755 Z: 9 6.225 1.598 0.741 0.749 0.750 0.625 CB 0.844 Z: 14 14.320 1.659 0.526 0.866 1.000 0.846 CB 1.148 14 residues pruned to eliminate duplicates Z: 9 7.203 1.810 0.181 0.861 0.875 0.875 CB 1.000 9 residues pruned to eliminate duplicates Z: 7 2.672 1.468 0.318 0.287 0.833 0.833 N 0.860 7 residues pruned to eliminate duplicates Z: 9 3.382 1.509 0.701 0.320 0.750 0.625 CB 0.757 9 residues pruned to eliminate duplicates Z: 8 8.072 1.687 0.890 0.569 0.857 0.429 CB 1.044 8 residues pruned to eliminate duplicates Z: 32 13.428 1.637 0.383 0.599 0.903 0.677 CB 1.074 31 residues pruned to eliminate duplicates Z: 14 14.709 1.678 0.419 0.876 0.923 0.846 CB 1.348 14 residues pruned to eliminate duplicates Z: 13 18.418 1.826 0.945 0.853 1.000 0.667 CB 1.106 14 residues pruned to eliminate duplicates Z: 20 11.582 1.735 0.281 0.560 0.895 0.632 CB 1.260 10 residues pruned to eliminate duplicates Z: 10 5.086 1.553 0.300 0.548 0.889 0.667 CB 0.902 9 residues pruned to eliminate duplicates Z: 8 3.272 1.505 0.042 0.468 0.857 0.429 CB 0.950 Z: 6 7.065 1.836 0.373 0.835 1.000 0.800 CB 0.938 Z: 10 4.979 1.393 0.480 0.426 0.778 0.444 O 1.117 10 residues pruned to eliminate duplicates Z: 8 2.710 1.495 0.371 0.498 0.571 0.286 CB 0.876 Z: 7 2.780 1.321 0.800 0.290 0.667 0.333 CB 0.906 7 1.733 1.584 0.268 0.320 0.667 0.500 CB 0.644 ? Z: 6 2.593 1.642 0.199 0.421 0.600 0.400 CB 1.065 6 residues pruned to eliminate duplicates Z: 7 5.843 1.666 0.225 0.751 1.000 0.833 CA 0.935 Z: 12 6.162 1.656 0.242 0.396 0.909 0.545 CB 1.110 12 residues pruned to eliminate duplicates Z: 8 5.170 1.719 0.951 0.491 0.857 0.714 CB 0.686 8 residues pruned to eliminate duplicates Z: 12 6.674 1.554 0.464 0.524 0.727 0.545 N 1.188 12 residues pruned to eliminate duplicates Z: 10 14.908 1.789 0.558 0.823 0.889 0.556 CB 1.516 10 residues pruned to eliminate duplicates Z: 6 3.923 1.518 0.201 0.830 1.000 0.600 CB 0.724 Z: 13 14.963 1.777 0.628 0.718 0.917 0.750 CB 1.337 12 residues pruned to eliminate duplicates Z: 6 7.036 1.598 0.606 0.662 1.000 0.800 CB 1.055 5 residues pruned to eliminate duplicates Z: 8 5.514 1.768 0.521 0.566 0.857 0.571 CB 0.848 8 residues pruned to eliminate duplicates Z: 11 8.848 1.745 0.452 0.551 0.900 0.700 CB 1.168 Z: 12 7.569 1.345 0.512 0.896 1.000 0.636 CB 0.804 9 residues pruned to eliminate duplicates Z: 14 9.386 1.714 0.441 0.878 0.923 0.769 CB 0.829 14 residues pruned to eliminate duplicates Z: 18 8.359 1.410 0.312 0.831 0.882 0.647 CB 0.934 11 residues pruned to eliminate duplicates Z: 7 5.385 1.385 0.231 0.768 0.833 0.667 CA 1.219 Z: 13 21.043 1.716 0.809 0.923 1.000 0.917 CB 1.375 15 residues pruned to eliminate duplicates Z: 15 13.141 1.625 0.536 0.915 1.000 0.929 CB 0.994 15 residues pruned to eliminate duplicates Z: 18 7.036 1.486 0.517 0.554 0.941 0.412 CB 0.764 12 residues pruned to eliminate duplicates Z: 22 12.310 1.787 0.567 0.385 0.857 0.524 CB 1.264 35 residues pruned to eliminate duplicates Z: 13 16.066 1.823 0.479 0.923 1.000 0.917 CB 1.210 13 residues pruned to eliminate duplicates Z: 26 17.749 1.555 0.592 0.899 0.960 0.760 CB 1.068 Z: 6 7.735 1.719 1.194 0.441 0.800 0.600 CB 1.218 6 residues pruned to eliminate duplicates Z: 7 8.154 1.714 0.268 0.790 0.833 0.833 N 1.425 7 residues pruned to eliminate duplicates Z: 8 2.576 1.342 0.262 0.438 0.714 0.286 N 0.858 Z: 13 10.011 1.515 0.661 0.828 0.833 0.750 CB 1.038 Z: 14 13.643 1.895 0.206 0.921 1.000 0.923 CB 1.165 14 residues pruned to eliminate duplicates Z: 9 10.092 1.540 0.513 0.886 1.000 0.875 CB 1.105 Z: 19 11.213 1.585 0.668 0.877 0.944 0.667 CB 0.769 19 residues pruned to eliminate duplicates Z: 23 14.101 1.805 0.518 0.673 0.955 0.591 CB 0.979 23 residues pruned to eliminate duplicates Z: 11 16.560 1.761 0.609 0.877 1.000 0.600 CB 1.343 11 residues pruned to eliminate duplicates Z: 17 12.177 1.572 0.626 0.900 0.938 0.750 CB 0.907 Z: 11 8.770 1.675 1.059 0.757 0.900 0.500 CB 0.711 Z: 8 4.803 1.732 -0.256 0.908 1.000 1.000 CB 1.001 8 residues pruned to eliminate duplicates Z: 9 5.262 1.657 0.803 0.524 0.875 0.375 CB 0.695 Z: 12 8.305 1.680 0.176 0.769 1.000 0.727 CB 0.998 12 residues pruned to eliminate duplicates Z: 13 17.609 1.835 0.796 0.703 1.000 0.667 CB 1.282 13 residues pruned to eliminate duplicates Z: 13 21.486 1.834 0.635 0.863 1.000 0.917 CB 1.518 13 residues pruned to eliminate duplicates Z: 12 5.662 1.655 0.347 0.492 0.818 0.455 CB 0.944 10 residues pruned to eliminate duplicates Z: 11 11.312 1.646 0.568 0.813 1.000 0.700 CB 1.056 11 residues pruned to eliminate duplicates Z: 8 6.570 1.371 0.251 0.868 1.000 1.000 CA 1.059 Z: 15 10.202 1.797 0.361 0.622 0.857 0.500 CB 1.160 15 residues pruned to eliminate duplicates Z: 11 4.065 1.409 0.423 0.427 0.800 0.600 CB 0.864 Z: 13 7.465 1.669 0.524 0.407 0.750 0.583 CB 1.245 13 residues pruned to eliminate duplicates Z: 16 13.060 1.592 0.366 0.874 1.000 0.733 CB 1.128 16 residues pruned to eliminate duplicates Z: 21 13.198 1.693 0.578 0.874 1.000 0.900 CB 0.804 21 residues pruned to eliminate duplicates Z: 17 6.583 1.606 0.282 0.540 0.812 0.375 CB 0.946 11 residues pruned to eliminate duplicates Z: 11 19.969 1.796 0.820 0.937 1.000 0.900 N 1.344 11 residues pruned to eliminate duplicates Z: 17 18.650 1.761 0.482 0.933 1.000 0.938 CB 1.247 17 residues pruned to eliminate duplicates Z: 8 4.742 1.451 0.327 0.440 0.857 0.571 O 1.155 8 residues pruned to eliminate duplicates Z: 10 10.722 1.499 0.479 0.883 1.000 0.889 CB 1.165 9 residues pruned to eliminate duplicates 9 1.774 1.535 0.094 0.258 0.875 0.375 CB 0.563 ? 7 1.118 1.351 0.818 0.793 0.500 0.500 CB 0.287 ? Z: 7 4.998 1.461 0.201 0.612 1.000 0.500 N 1.046 Z: 10 10.118 1.698 0.364 0.892 1.000 0.778 CB 1.047 10 residues pruned to eliminate duplicates Z: 20 22.566 1.852 0.868 0.683 0.842 0.632 CB 1.502 20 residues pruned to eliminate duplicates Z: 6 3.972 1.637 0.131 0.423 0.800 0.600 N 1.300 Z: 10 8.513 1.666 0.302 0.784 0.889 0.778 CB 1.146 10 residues pruned to eliminate duplicates Z: 11 8.517 1.738 0.558 0.658 0.900 0.800 CB 0.954 9 residues pruned to eliminate duplicates Z: 10 3.676 1.533 0.559 0.850 0.889 0.778 CB 0.427 7 residues pruned to eliminate duplicates Z: 11 17.670 1.581 1.149 0.819 0.900 0.700 O 1.385 12 residues pruned to eliminate duplicates Z: 6 6.677 1.528 1.041 0.783 0.800 0.800 N 0.933 6 residues pruned to eliminate duplicates Z: 10 2.572 1.469 0.317 0.314 0.667 0.444 CB 0.816 Z: 9 5.384 1.707 0.470 0.372 0.750 0.500 N 1.161 9 residues pruned to eliminate duplicates Z: 13 9.782 1.578 0.375 0.897 0.917 0.833 CB 1.016 13 residues pruned to eliminate duplicates Z: 6 5.582 1.457 0.268 0.612 1.000 0.600 CB 1.215 6 residues pruned to eliminate duplicates Z: 6 2.226 1.454 0.127 0.293 0.800 0.600 N 0.957 Z: 11 3.536 1.424 0.645 0.372 0.700 0.500 CB 0.782 11 residues pruned to eliminate duplicates Z: 11 9.002 1.902 0.858 0.360 0.700 0.500 CA 1.338 7 residues pruned to eliminate duplicates 6 1.313 1.280 0.775 0.456 0.400 0.400 CB 0.676 ? Z: 6 3.908 1.580 0.173 0.522 0.800 0.600 CB 1.153 6 residues pruned to eliminate duplicates Z: 9 6.007 1.612 0.570 0.870 1.000 1.000 CB 0.612 10 residues pruned to eliminate duplicates Z: 13 14.240 1.745 0.171 0.890 1.000 0.917 CB 1.448 13 residues pruned to eliminate duplicates Z: 11 8.146 1.686 0.171 0.747 1.000 0.900 CB 1.047 11 residues pruned to eliminate duplicates Z: 12 15.166 1.801 0.724 0.797 0.909 0.727 CB 1.249 12 residues pruned to eliminate duplicates Z: 9 5.953 1.664 0.696 0.917 1.000 1.000 CB 0.526 Z: 12 17.158 1.825 0.475 0.888 1.000 0.909 CB 1.385 11 residues pruned to eliminate duplicates Z: 6 2.654 1.443 0.488 0.474 0.600 0.600 CB 0.946 Z: 6 3.531 1.407 0.143 0.702 0.800 0.600 CA 1.021 6 residues pruned to eliminate duplicates Z: 8 2.616 1.453 0.114 0.345 0.714 0.571 N 1.012 Z: 9 7.223 1.339 0.414 0.874 1.000 1.000 CB 0.982 8 residues pruned to eliminate duplicates Z: 10 9.239 1.588 0.562 0.827 1.000 0.889 CB 0.935 8 residues pruned to eliminate duplicates Z: 7 5.377 1.538 0.351 0.803 1.000 0.667 O 0.811 9 residues pruned to eliminate duplicates Z: 12 8.322 1.696 0.452 0.804 0.636 0.364 CB 1.227 12 residues pruned to eliminate duplicates Z: 11 18.590 1.872 0.628 0.818 1.000 0.800 CA 1.463 11 residues pruned to eliminate duplicates Z: 6 4.409 1.591 0.012 0.686 1.000 0.800 CB 1.033 7 residues pruned to eliminate duplicates Z: 9 7.391 1.719 0.858 0.456 0.750 0.500 CB 1.141 Z: 9 10.169 1.614 0.348 0.787 1.000 0.750 CA 1.284 7 residues pruned to eliminate duplicates Z: 12 21.873 1.844 0.721 0.910 1.000 0.909 CB 1.474 11 residues pruned to eliminate duplicates Z: 15 11.745 1.594 0.516 0.923 0.929 0.643 CB 0.983 15 residues pruned to eliminate duplicates Z: 6 6.480 1.503 0.532 0.782 0.800 0.600 CB 1.227 Z: 24 14.373 1.497 0.484 0.833 0.913 0.609 CB 1.109 Z: 23 14.704 1.767 0.711 0.545 0.909 0.636 CB 1.091 16 residues pruned to eliminate duplicates Z: 24 21.096 1.781 0.465 0.928 1.000 0.913 CB 1.180 24 residues pruned to eliminate duplicates Z: 10 10.417 1.623 0.818 0.743 0.889 0.889 CB 1.065 10 residues pruned to eliminate duplicates Z: 17 16.197 1.630 0.565 0.864 0.938 0.812 CB 1.242 17 residues pruned to eliminate duplicates Z: 27 18.333 1.805 0.617 0.628 0.885 0.615 CB 1.235 27 residues pruned to eliminate duplicates Z: 10 4.747 1.588 0.240 0.357 0.778 0.444 N 1.205 18 residues pruned to eliminate duplicates Z: 7 5.638 1.669 0.154 0.804 1.000 0.833 CB 0.916 7 residues pruned to eliminate duplicates Z: 12 10.234 1.713 0.443 0.859 1.000 0.818 CB 0.919 12 residues pruned to eliminate duplicates Z: 9 3.513 1.569 0.491 0.413 0.625 0.500 CB 0.930 Z: 13 13.742 1.713 0.370 0.828 0.917 0.833 O 1.388 13 residues pruned to eliminate duplicates Z: 11 20.251 1.857 0.860 0.868 1.000 0.800 CB 1.356 11 residues pruned to eliminate duplicates Z: 11 4.323 1.500 0.477 0.299 0.700 0.200 N 1.104 Z: 13 15.664 1.593 0.624 0.826 1.000 0.750 N 1.318 13 residues pruned to eliminate duplicates Z: 25 13.803 1.751 0.662 0.460 0.875 0.417 CB 1.152 25 residues pruned to eliminate duplicates Z: 14 14.529 1.637 0.814 0.844 0.923 0.846 CB 1.094 13 residues pruned to eliminate duplicates Z: 6 2.158 1.531 0.177 0.299 0.600 0.600 N 1.117 6 residues pruned to eliminate duplicates Z: 12 9.286 1.698 0.181 0.859 1.000 0.818 CB 1.028 12 residues pruned to eliminate duplicates Z: 9 8.858 1.639 0.670 0.649 0.875 0.875 CB 1.138 Z: 6 2.540 1.437 0.387 0.295 0.800 0.400 N 0.896 Z: 24 15.677 1.671 0.497 0.894 1.000 0.826 CB 0.937 24 residues pruned to eliminate duplicates Z: 9 3.957 1.480 0.395 0.309 0.875 0.750 CB 0.957 Z: 9 3.861 1.464 0.386 0.640 0.750 0.500 CB 0.787 Z: 21 16.928 1.853 0.792 0.626 0.900 0.650 CB 1.125 22 residues pruned to eliminate duplicates Z: 8 4.042 1.443 0.200 0.424 0.857 0.714 CB 1.114 Z: 10 2.524 1.479 0.373 0.237 0.778 0.333 CB 0.723 Z: 14 18.071 1.760 0.625 0.872 1.000 0.923 CB 1.277 14 residues pruned to eliminate duplicates Z: 13 6.748 1.426 0.133 0.838 0.917 0.833 CB 0.983 13 residues pruned to eliminate duplicates Z: 8 2.360 1.667 0.104 0.488 0.571 0.429 CB 0.859 Z: 13 13.036 1.702 0.506 0.878 1.000 0.833 CB 1.066 12 residues pruned to eliminate duplicates Z: 9 6.650 1.614 0.486 0.593 1.000 0.750 CB 0.897 9 residues pruned to eliminate duplicates Z: 6 2.172 1.336 0.096 0.581 0.600 0.600 CB 1.023 Z: 21 15.458 1.844 0.674 0.505 0.900 0.650 CB 1.238 20 residues pruned to eliminate duplicates Z: 7 4.652 1.715 0.458 0.526 0.667 0.333 CB 1.111 Z: 21 12.732 1.794 0.680 0.614 0.800 0.650 CB 1.060 21 residues pruned to eliminate duplicates Z: 13 10.698 1.527 0.589 0.883 1.000 0.750 CB 0.921 13 residues pruned to eliminate duplicates Z: 28 10.130 1.710 0.387 0.485 0.778 0.444 CB 1.073 26 residues pruned to eliminate duplicates Z: 7 2.737 1.837 -0.148 0.501 0.833 0.333 CB 0.856 7 residues pruned to eliminate duplicates Z: 12 7.510 1.551 0.263 0.842 0.909 0.909 CB 0.948 12 residues pruned to eliminate duplicates Z: 19 12.623 1.708 0.710 0.629 0.944 0.722 CB 0.955 12 residues pruned to eliminate duplicates Z: 15 11.454 1.819 1.119 0.893 0.929 0.857 CB 0.614 13 residues pruned to eliminate duplicates Z: 10 5.688 1.670 0.169 0.874 1.000 1.000 CB 0.707 10 residues pruned to eliminate duplicates Z: 11 9.563 1.680 0.596 0.909 1.000 0.900 CB 0.800 11 residues pruned to eliminate duplicates Z: 13 8.652 1.691 0.336 0.613 0.833 0.583 CB 1.192 9 residues pruned to eliminate duplicates Z: 12 4.406 1.681 0.189 0.637 0.909 0.636 CB 0.643 7 residues pruned to eliminate duplicates Z: 10 10.742 1.996 0.290 0.856 0.889 0.667 CB 1.154 10 residues pruned to eliminate duplicates Z: 7 2.353 1.525 0.700 0.395 0.667 0.500 CB 0.621 Z: 9 4.471 1.567 0.074 0.508 0.875 0.625 CB 1.065 9 residues pruned to eliminate duplicates Z: 6 3.464 1.463 0.419 0.417 0.800 0.600 N 1.018 Z: 6 2.090 1.544 0.087 0.328 0.800 0.400 CB 0.841 6 residues pruned to eliminate duplicates Z: 15 12.790 1.730 0.836 0.739 1.000 0.857 CB 0.869 15 residues pruned to eliminate duplicates Z: 9 7.631 1.533 0.480 0.781 0.875 0.750 CB 1.060 9 residues pruned to eliminate duplicates Z: 6 4.820 1.381 0.451 0.622 1.000 0.600 CB 0.959 Z: 6 10.190 1.782 0.577 0.836 1.000 0.800 CB 1.214 6 residues pruned to eliminate duplicates Z: 7 8.069 1.573 0.266 0.890 1.000 1.000 CB 1.190 7 residues pruned to eliminate duplicates Z: 7 5.187 1.679 0.266 0.440 1.000 0.833 CB 1.059 Z: 6 5.808 1.552 0.264 0.737 1.000 0.800 N 1.070 Z: 14 6.481 1.412 0.592 0.831 1.000 0.769 CB 0.601 9 residues pruned to eliminate duplicates Z: 10 4.446 1.619 0.504 0.334 0.667 0.444 CB 1.095 Z: 6 5.654 1.566 0.425 0.643 0.800 0.600 CB 1.239 Z: 6 4.808 1.302 0.235 0.802 1.000 0.800 C 1.027 Z: 10 7.253 1.775 0.706 0.865 1.000 0.778 CB 0.585 10 residues pruned to eliminate duplicates Z: 6 3.393 1.497 0.590 0.627 0.800 0.600 CB 0.707 Z: 17 15.549 1.596 0.755 0.860 0.938 0.625 CB 1.088 18 residues pruned to eliminate duplicates Z: 12 11.700 1.626 0.474 0.815 1.000 0.727 N 1.120 12 residues pruned to eliminate duplicates Z: 11 17.629 1.929 0.348 0.844 1.000 0.600 CB 1.596 11 residues pruned to eliminate duplicates Z: 14 14.428 1.656 0.393 0.849 1.000 0.846 CB 1.287 14 residues pruned to eliminate duplicates Z: 9 5.216 1.660 0.460 0.328 0.875 0.500 CB 1.050 Z: 6 6.192 1.536 0.180 0.772 1.000 0.800 N 1.202 Z: 14 9.029 1.603 0.502 0.797 0.923 0.692 CB 0.869 14 residues pruned to eliminate duplicates Z: 6 3.070 1.588 0.633 0.861 1.000 0.600 CB 0.389 6 1.463 1.356 0.320 0.335 0.800 0.800 CB 0.547 ? Z: 8 2.643 1.301 0.279 0.241 0.714 0.571 CB 1.133 Z: 14 14.774 1.560 0.582 0.893 0.923 0.846 CB 1.291 14 residues pruned to eliminate duplicates Z: 20 16.919 1.821 0.761 0.691 0.842 0.737 CB 1.207 27 residues pruned to eliminate duplicates Z: 6 5.465 1.525 0.348 0.634 1.000 0.600 CB 1.048 Z: 13 14.262 1.665 0.552 0.866 1.000 0.833 CB 1.166 12 residues pruned to eliminate duplicates Z: 6 3.830 1.555 0.439 0.841 1.000 1.000 CB 0.571 Z: 14 13.212 1.686 0.442 0.885 1.000 0.846 CB 1.089 14 residues pruned to eliminate duplicates Z: 15 7.102 1.525 0.722 0.335 0.857 0.500 CB 1.010 6 residues pruned to eliminate duplicates Z: 14 9.492 1.748 0.227 0.694 1.000 0.769 CB 1.027 14 residues pruned to eliminate duplicates Z: 9 11.371 1.764 0.747 0.515 0.875 0.500 CB 1.469 9 residues pruned to eliminate duplicates Z: 9 10.379 1.560 0.726 0.853 1.000 0.750 CB 1.007 10 residues pruned to eliminate duplicates Z: 13 7.850 1.490 0.413 0.827 0.917 0.750 CB 0.885 13 residues pruned to eliminate duplicates Z: 6 6.586 1.476 1.272 0.573 1.000 0.600 CB 0.818 Z: 17 15.649 1.625 0.411 0.930 1.000 0.938 CB 1.194 17 residues pruned to eliminate duplicates Z: 23 14.748 1.622 0.383 0.921 0.955 0.909 CB 1.033 23 residues pruned to eliminate duplicates Z: 6 2.773 1.479 0.359 0.352 0.800 0.400 CB 0.906 Z: 6 5.841 1.835 0.470 0.773 0.800 0.800 CB 0.951 Z: 8 3.690 1.257 0.478 0.452 0.857 0.429 N 0.919 Z: 6 3.323 1.321 0.332 0.385 0.800 0.400 CB 1.192 6 residues pruned to eliminate duplicates Z: 8 2.230 1.286 0.304 0.295 0.571 0.286 N 1.106 9 1.430 1.705 0.361 0.789 1.000 0.750 CB 0.169 ? Z: 9 3.920 1.497 0.309 0.813 0.875 0.500 CB 0.615 Z: 12 17.658 1.820 0.648 0.907 1.000 0.727 CB 1.261 12 residues pruned to eliminate duplicates Z: 11 9.384 1.694 0.401 0.879 1.000 0.700 CB 0.907 11 residues pruned to eliminate duplicates Z: 6 2.004 1.678 0.664 0.818 0.800 0.800 CB 0.304 Z: 13 16.356 1.674 0.482 0.883 1.000 0.833 CB 1.377 13 residues pruned to eliminate duplicates Z: 14 17.751 1.791 0.500 0.863 1.000 0.846 CB 1.345 14 residues pruned to eliminate duplicates Z: 15 11.802 1.682 0.476 0.813 0.929 0.714 CB 1.042 15 residues pruned to eliminate duplicates Z: 13 21.984 1.817 0.950 0.813 1.000 0.750 CA 1.364 13 residues pruned to eliminate duplicates Z: 12 3.805 1.502 0.180 0.370 0.727 0.273 CA 1.022 7 residues pruned to eliminate duplicates Z: 15 18.832 1.777 0.607 0.868 1.000 0.786 CB 1.288 15 residues pruned to eliminate duplicates Z: 10 7.008 1.672 0.031 0.674 1.000 0.889 CB 1.154 7 residues pruned to eliminate duplicates Z: 13 7.798 1.504 0.717 0.805 0.667 0.417 CB 1.002 13 residues pruned to eliminate duplicates Z: 9 5.414 1.573 0.488 0.432 0.875 0.500 CB 1.004 Z: 6 5.269 1.682 0.816 0.667 0.800 0.800 CB 0.826 6 residues pruned to eliminate duplicates Z: 12 5.703 1.375 0.230 0.472 0.909 0.364 N 1.150 Z: 10 8.585 1.393 0.549 0.873 1.000 0.667 O 0.966 10 residues pruned to eliminate duplicates Z: 15 20.199 1.861 0.621 0.867 1.000 1.000 CB 1.309 15 residues pruned to eliminate duplicates Z: 7 3.248 1.594 0.383 0.244 0.667 0.667 C 1.213 Z: 11 13.970 1.695 0.396 0.877 1.000 0.800 CB 1.356 11 residues pruned to eliminate duplicates Z: 11 7.483 1.375 0.520 0.683 0.900 0.500 CB 1.063 Z: 8 10.676 1.581 0.850 0.591 1.000 0.571 N 1.265 8 residues pruned to eliminate duplicates Z: 18 13.156 1.576 0.532 0.867 0.882 0.765 CB 1.095 18 residues pruned to eliminate duplicates Z: 7 7.128 1.586 0.521 0.752 0.833 0.833 N 1.156 Z: 7 3.721 1.478 0.997 0.268 0.833 0.667 CB 0.804 Z: 8 2.499 1.390 0.432 0.239 0.571 0.429 CB 1.124 Z: 12 8.322 1.586 0.573 0.621 0.818 0.545 N 1.097 9 residues pruned to eliminate duplicates Z: 25 18.620 1.772 0.739 0.493 0.958 0.708 CB 1.297 18 residues pruned to eliminate duplicates Z: 6 4.051 1.632 0.458 0.487 0.800 0.600 CB 0.965 Z: 9 4.443 1.610 0.484 0.231 0.750 0.375 CB 1.200 Z: 13 21.413 1.761 0.716 0.888 1.000 0.833 CA 1.474 13 residues pruned to eliminate duplicates Z: 12 7.921 1.366 0.688 0.434 1.000 0.545 CB 1.109 15 residues pruned to eliminate duplicates Z: 6 2.475 1.487 0.309 0.343 0.800 0.400 CB 0.843 7 1.359 1.101 0.418 0.298 0.667 0.333 O 0.668 ? Z: 9 10.502 1.812 0.531 0.647 1.000 1.000 CA 1.167 9 residues pruned to eliminate duplicates Z: 6 2.049 1.537 -0.222 0.490 0.800 0.600 CB 0.968 Z: 9 5.955 1.433 0.422 0.873 1.000 1.000 CB 0.753 Z: 8 4.159 1.592 0.269 0.611 0.857 0.429 CB 0.816 Z: 13 16.703 1.635 0.684 0.893 1.000 0.750 CB 1.257 13 residues pruned to eliminate duplicates Z: 8 9.637 1.624 0.676 0.678 1.000 0.571 CB 1.136 8 residues pruned to eliminate duplicates Z: 18 12.247 1.605 0.625 0.861 1.000 0.765 CB 0.836 17 residues pruned to eliminate duplicates Z: 11 5.119 1.557 0.357 0.337 0.900 0.600 CB 1.016 Z: 11 11.290 1.834 0.172 0.690 1.000 0.800 CB 1.396 11 residues pruned to eliminate duplicates Z: 10 3.324 1.304 0.789 0.208 0.778 0.222 CB 0.862 Z: 8 2.364 1.429 0.162 0.407 0.571 0.571 CB 1.039 8 residues pruned to eliminate duplicates Z: 15 18.060 1.752 0.514 0.840 1.000 0.571 CB 1.358 15 residues pruned to eliminate duplicates Z: 9 3.246 1.550 0.206 0.399 0.750 0.125 CB 0.910 Z: 17 19.938 1.809 0.765 0.620 0.938 0.562 N 1.487 20 residues pruned to eliminate duplicates Z: 13 9.364 1.800 0.293 0.880 0.917 0.667 CB 0.918 13 residues pruned to eliminate duplicates Z: 7 3.764 1.328 0.180 0.584 0.833 0.500 N 1.085 Z: 13 16.317 1.731 0.535 0.892 1.000 0.750 CB 1.273 19 residues pruned to eliminate duplicates Z: 10 6.795 1.667 0.466 0.536 0.778 0.556 CB 1.150 10 residues pruned to eliminate duplicates Z: 14 10.491 1.729 0.340 0.907 1.000 0.923 CB 0.892 14 residues pruned to eliminate duplicates Z: 7 4.084 1.480 0.610 0.249 0.833 0.667 CA 1.122 Z: 9 4.986 1.431 0.935 0.236 0.750 0.375 CA 1.154 Z: 13 11.657 1.687 0.536 0.860 1.000 0.750 CB 0.954 13 residues pruned to eliminate duplicates Z: 7 4.711 1.597 0.212 0.390 0.833 0.333 CB 1.339 Z: 9 6.393 1.606 0.466 0.891 1.000 1.000 CB 0.691 Z: 7 6.335 1.631 0.815 0.831 1.000 0.833 CB 0.657 Z: 6 5.112 1.657 0.033 0.613 1.000 0.600 N 1.201 Z: 11 10.124 1.532 0.536 0.737 1.000 0.700 CB 1.100 11 residues pruned to eliminate duplicates Z: 8 4.768 1.379 0.532 0.555 0.857 0.286 CB 0.943 Z: 11 12.507 1.815 0.552 0.897 0.900 0.800 N 1.117 11 residues pruned to eliminate duplicates Z: 12 11.473 1.778 0.638 0.896 0.909 0.818 CB 0.936 12 residues pruned to eliminate duplicates Z: 6 2.324 1.440 0.190 0.347 0.600 0.600 O 1.194 Z: 9 3.082 1.460 0.028 0.406 0.750 0.500 CB 1.068 Z: 18 5.095 1.463 0.421 0.446 0.941 0.471 CB 0.668 9 residues pruned to eliminate duplicates Z: 9 3.601 1.463 0.571 0.252 0.625 0.375 N 1.178 Z: 11 7.336 1.493 0.711 0.908 1.000 1.000 CB 0.645 11 residues pruned to eliminate duplicates 6 1.096 1.333 0.254 0.365 0.400 0.400 N 0.848 ? 6 1.990 1.177 0.192 0.532 0.800 0.400 N 0.768 ? Z: 7 2.006 1.467 -0.121 0.508 0.833 0.500 CB 0.757 7 residues pruned to eliminate duplicates Z: 11 8.785 1.757 0.460 0.694 0.700 0.400 CB 1.296 11 residues pruned to eliminate duplicates Z: 9 3.625 1.426 0.510 0.286 0.750 0.625 CB 1.010 Z: 8 6.843 1.447 0.189 0.831 1.000 0.857 O 1.130 8 residues pruned to eliminate duplicates Z: 6 4.573 1.730 0.119 0.663 0.800 0.800 CB 1.136 6 residues pruned to eliminate duplicates Z: 6 2.277 1.464 0.371 0.365 0.600 0.600 CB 0.978 Z: 9 5.904 1.687 0.825 0.841 1.000 1.000 CB 0.506 8 residues pruned to eliminate duplicates Z: 11 11.838 1.723 0.880 0.797 0.900 0.600 CB 0.990 11 residues pruned to eliminate duplicates Z: 16 15.615 1.926 0.668 0.630 0.933 0.667 CB 1.190 16 residues pruned to eliminate duplicates Z: 11 11.866 1.729 0.289 0.900 1.000 0.900 CB 1.203 11 residues pruned to eliminate duplicates Z: 11 10.430 1.687 0.645 0.525 0.900 0.700 CB 1.288 11 residues pruned to eliminate duplicates Z: 12 8.234 1.386 0.277 0.888 1.000 0.909 CB 1.011 10 residues pruned to eliminate duplicates Z: 8 2.818 1.581 0.472 0.084 0.714 0.429 CB 1.097 Z: 17 11.861 1.743 0.674 0.779 1.000 0.500 CB 0.795 17 residues pruned to eliminate duplicates Z: 11 9.148 1.688 0.489 0.869 0.900 0.700 CB 0.934 11 residues pruned to eliminate duplicates Z: 6 2.221 1.652 0.399 0.767 0.800 0.800 CB 0.424 6 1.662 1.406 -0.022 0.295 0.600 0.400 N 1.133 ? Z: 26 18.337 1.746 0.525 0.846 0.960 0.680 CB 1.066 26 residues pruned to eliminate duplicates Z: 11 9.670 1.595 0.346 0.693 1.000 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 7 2.240 1.539 -0.010 0.744 1.000 0.833 CB 0.482 Z: 14 7.085 1.543 0.409 0.536 0.923 0.615 CB 0.945 Z: 6 2.330 1.162 0.381 0.554 1.000 0.600 CB 0.617 Z: 10 8.683 1.659 0.444 0.515 0.889 0.444 CB 1.339 10 residues pruned to eliminate duplicates Z: 6 2.021 1.574 0.239 0.699 0.800 0.600 CB 0.483 Z: 14 10.193 1.671 0.372 0.641 0.846 0.538 CB 1.277 14 residues pruned to eliminate duplicates Z: 26 19.864 1.744 0.637 0.674 1.000 0.800 CB 1.185 30 residues pruned to eliminate duplicates 6 1.280 1.427 0.173 0.488 0.600 0.600 CB 0.577 ? Z: 11 4.502 1.337 0.275 0.425 0.900 0.400 CB 1.002 6 residues pruned to eliminate duplicates Z: 6 2.337 1.218 1.068 0.560 0.800 0.400 N 0.490 Z: 11 10.890 1.703 0.542 0.650 1.000 0.800 CB 1.141 10 residues pruned to eliminate duplicates Z: 9 3.998 1.660 0.502 0.773 0.875 0.750 CB 0.509 9 residues pruned to eliminate duplicates Z: 9 5.594 1.556 0.255 0.288 1.000 0.625 CB 1.285 9 residues pruned to eliminate duplicates Z: 19 10.086 1.613 0.258 0.932 0.944 0.944 CB 0.866 19 residues pruned to eliminate duplicates Z: 11 6.516 1.518 0.407 0.567 0.800 0.700 CB 1.130 Z: 14 16.456 1.604 0.759 0.881 1.000 0.846 CB 1.171 14 residues pruned to eliminate duplicates Z: 25 15.110 1.716 0.517 0.519 0.958 0.583 CB 1.213 25 residues pruned to eliminate duplicates Z: 7 7.072 1.598 0.801 0.719 1.000 0.833 CB 0.823 Z: 8 3.510 1.363 0.548 0.474 0.857 0.571 CB 0.753 Z: 12 6.693 1.532 0.803 0.462 0.727 0.727 CB 1.043 9 residues pruned to eliminate duplicates Z: 14 3.722 1.509 0.164 0.499 0.846 0.538 CB 0.696 6 1.716 1.343 0.310 0.459 0.800 0.600 CB 0.568 ? 6 1.491 1.528 0.339 0.344 0.800 0.400 CB 0.483 ? Z: 13 11.902 1.493 0.821 0.816 0.833 0.667 CB 1.152 10 residues pruned to eliminate duplicates Z: 6 7.189 1.725 0.455 0.577 1.000 1.000 CB 1.190 6 residues pruned to eliminate duplicates 6 0.413 1.331 -0.055 0.323 0.600 0.400 CB 0.298 ? Z: 6 3.956 1.201 0.648 0.623 0.800 0.400 N 0.995 6 1.899 1.241 0.884 0.407 0.600 0.400 N 0.667 ? Z: 16 13.763 1.620 0.633 0.868 0.867 0.733 CB 1.133 16 residues pruned to eliminate duplicates Z: 6 2.535 1.775 0.022 0.775 1.000 0.600 CB 0.490 Z: 19 9.830 1.600 0.542 0.635 0.889 0.333 CB 0.931 19 residues pruned to eliminate duplicates Z: 6 6.000 1.375 0.555 0.775 1.000 1.000 C 0.984 Z: 6 5.397 1.380 0.721 0.665 1.000 0.800 CB 0.873 Z: 12 19.400 1.716 1.117 0.878 1.000 0.818 N 1.169 12 residues pruned to eliminate duplicates Z: 9 5.250 1.578 0.423 0.413 1.000 0.500 CB 0.906 9 residues pruned to eliminate duplicates Z: 9 9.236 1.657 0.784 0.507 0.875 0.625 CB 1.254 9 residues pruned to eliminate duplicates Z: 9 2.446 1.340 0.239 0.286 0.875 0.375 CB 0.757 Z: 10 2.994 1.613 0.186 0.220 1.000 0.444 CB 0.725 Z: 10 4.385 1.598 0.217 0.299 0.778 0.444 CB 1.209 Z: 8 9.417 1.620 0.545 0.868 0.857 0.714 CB 1.213 8 residues pruned to eliminate duplicates 7 1.499 1.522 0.095 0.471 0.667 0.500 CB 0.568 ? Z: 7 2.606 1.435 -0.219 0.330 1.000 0.500 N 1.143 8 residues pruned to eliminate duplicates Z: 7 2.597 1.299 0.700 0.366 0.833 0.333 CB 0.666 Z: 25 22.195 1.758 0.608 0.912 0.958 0.875 CB 1.185 25 residues pruned to eliminate duplicates Z: 10 5.025 1.617 0.684 0.208 0.667 0.444 CB 1.303 9 residues pruned to eliminate duplicates Z: 6 3.189 1.441 0.008 0.468 1.000 0.200 CB 1.015 5 residues pruned to eliminate duplicates Z: 13 12.753 1.751 0.141 0.836 1.000 0.667 CB 1.379 13 residues pruned to eliminate duplicates Z: 14 5.282 1.592 0.382 0.384 0.923 0.385 CB 0.816 14 residues pruned to eliminate duplicates Z: 10 8.434 1.822 -0.032 0.910 1.000 1.000 CB 1.130 10 residues pruned to eliminate duplicates Z: 10 14.740 1.765 0.707 0.885 1.000 0.556 CB 1.178 9 residues pruned to eliminate duplicates Z: 10 11.813 1.802 0.391 0.908 1.000 0.889 CB 1.116 10 residues pruned to eliminate duplicates Z: 7 4.495 1.688 1.025 0.560 0.833 0.500 CB 0.608 5 residues pruned to eliminate duplicates Z: 20 15.698 1.653 0.692 0.897 1.000 0.737 CB 0.921 20 residues pruned to eliminate duplicates Z: 24 18.871 1.735 0.777 0.615 0.870 0.478 CB 1.316 24 residues pruned to eliminate duplicates Z: 11 9.125 1.749 0.588 0.672 0.800 0.700 CB 1.109 11 residues pruned to eliminate duplicates Z: 7 6.307 1.563 0.392 0.599 0.833 0.500 N 1.292 6 residues pruned to eliminate duplicates Z: 6 2.083 1.314 0.502 0.312 0.600 0.600 N 0.969 Z: 6 2.109 0.961 0.707 0.761 0.800 0.800 CA 0.570 Z: 6 2.074 1.425 0.408 0.292 0.600 0.600 O 0.973 Z: 7 5.930 1.383 0.454 0.727 1.000 0.500 CB 0.981 Z: 6 2.928 1.151 0.376 0.459 1.000 0.800 N 0.861 Z: 9 3.675 1.643 0.141 0.364 0.750 0.625 CB 1.069 Z: 26 24.641 1.720 0.804 0.914 1.000 0.800 CB 1.123 26 residues pruned to eliminate duplicates Z: 7 2.123 1.366 0.511 0.541 0.833 0.500 CB 0.484 Z: 7 3.883 1.543 0.619 0.833 1.000 0.833 CB 0.476 Z: 9 9.469 1.685 0.481 0.893 0.875 0.875 CB 1.101 9 residues pruned to eliminate duplicates Z: 6 2.390 1.325 0.433 0.283 0.800 0.600 O 0.899 Z: 6 4.438 1.404 0.478 0.613 1.000 0.600 CB 0.859 Z: 21 15.571 1.725 0.401 0.619 0.950 0.550 CB 1.355 24 residues pruned to eliminate duplicates Z: 7 3.578 1.307 0.571 0.427 0.833 0.667 N 0.921 Z: 9 9.032 1.652 0.527 0.861 0.875 0.750 CB 1.063 9 residues pruned to eliminate duplicates Z: 7 3.627 1.350 0.482 0.376 0.833 0.500 N 1.013 Z: 11 10.791 1.553 0.409 0.837 1.000 0.700 CB 1.166 10 residues pruned to eliminate duplicates Z: 10 10.388 1.749 0.203 0.756 1.000 0.889 CB 1.310 9 residues pruned to eliminate duplicates Z: 13 6.990 1.658 0.398 0.610 0.833 0.500 CB 0.942 13 residues pruned to eliminate duplicates 6 1.931 1.525 -0.042 0.369 0.600 0.600 N 1.134 ? Z: 14 8.299 1.444 0.556 0.662 0.846 0.462 CB 1.042 14 residues pruned to eliminate duplicates Z: 6 2.136 1.153 0.384 0.458 0.800 0.600 O 0.781 6 1.709 1.280 1.148 0.702 0.800 0.400 CB 0.289 ? Z: 7 2.604 1.364 0.306 0.294 0.833 0.333 CB 0.901 Z: 6 3.407 1.530 0.169 0.389 1.000 0.400 CB 0.959 6 residues pruned to eliminate duplicates Z: 7 3.575 1.397 0.491 0.379 0.833 0.500 CB 0.957 Z: 8 3.458 1.483 0.395 0.616 0.714 0.429 CB 0.793 Z: 7 2.693 1.418 0.506 0.324 0.833 0.500 CB 0.750 Using tripeptides from previous cycle as seeds Z: 13 19.370 1.775 0.717 0.836 0.917 0.833 N 1.498 13 residues pruned to eliminate duplicates Z: 11 17.137 1.764 0.639 0.878 1.000 0.700 CA 1.360 11 residues pruned to eliminate duplicates Z: 13 19.312 1.836 0.712 0.803 0.917 0.833 CA 1.486 14 residues pruned to eliminate duplicates Z: 11 20.489 1.941 0.636 0.864 1.000 0.700 N 1.495 11 residues pruned to eliminate duplicates Z: 11 21.738 1.885 0.902 0.843 1.000 0.500 CB 1.428 11 residues pruned to eliminate duplicates Z: 19 13.385 1.694 0.571 0.605 0.778 0.500 CB 1.379 14 residues pruned to eliminate duplicates Z: 10 21.660 1.899 0.794 0.886 1.000 0.778 CB 1.529 10 residues pruned to eliminate duplicates Z: 14 12.959 1.646 0.563 0.675 0.923 0.615 N 1.288 14 residues pruned to eliminate duplicates Z: 17 14.335 1.685 0.604 0.653 0.938 0.562 CB 1.226 17 residues pruned to eliminate duplicates Z: 19 10.250 1.672 0.640 0.561 0.722 0.611 CB 1.149 19 residues pruned to eliminate duplicates Z: 14 19.361 1.809 0.931 0.775 0.923 0.692 CB 1.307 14 residues pruned to eliminate duplicates Z: 8 6.963 1.464 0.506 0.818 0.857 0.714 O 1.058 7 residues pruned to eliminate duplicates Z: 10 7.689 1.496 0.248 0.841 1.000 0.556 CB 1.024 10 residues pruned to eliminate duplicates Z: 14 13.482 1.537 0.613 0.887 0.923 0.692 CB 1.178 14 residues pruned to eliminate duplicates Z: 13 16.963 1.592 0.822 0.856 1.000 0.500 CB 1.245 13 residues pruned to eliminate duplicates Z: 11 14.076 1.605 0.684 0.818 1.000 0.700 CB 1.250 11 residues pruned to eliminate duplicates Z: 12 10.908 1.530 0.514 0.752 1.000 0.727 CB 1.134 11 residues pruned to eliminate duplicates Z: 13 16.606 1.608 0.617 0.893 1.000 0.667 CB 1.324 13 residues pruned to eliminate duplicates Z: 12 6.007 1.445 0.515 0.288 0.909 0.727 N 1.154 Z: 14 9.987 1.540 0.540 0.747 0.769 0.538 CB 1.218 26 residues pruned to eliminate duplicates Z: 9 9.454 1.474 0.921 0.698 0.875 0.500 CB 1.126 9 residues pruned to eliminate duplicates Z: 6 4.159 1.305 0.870 0.611 0.800 0.600 CA 0.857 6 residues pruned to eliminate duplicates Z: 7 4.035 1.355 0.671 0.552 0.833 0.500 CA 0.830 5 residues pruned to eliminate duplicates Z: 11 19.389 1.868 0.574 0.897 1.000 0.900 CB 1.493 11 residues pruned to eliminate duplicates Z: 13 18.386 1.834 0.764 0.798 1.000 0.667 CB 1.263 13 residues pruned to eliminate duplicates Z: 19 13.731 1.618 0.691 0.637 0.889 0.611 CB 1.171 19 residues pruned to eliminate duplicates Z: 14 21.488 1.825 0.782 0.830 1.000 0.846 CB 1.378 12 residues pruned to eliminate duplicates Z: 13 17.591 1.729 0.807 0.885 0.833 0.667 N 1.408 13 residues pruned to eliminate duplicates Z: 13 19.456 1.822 0.802 0.812 1.000 0.917 CB 1.305 13 residues pruned to eliminate duplicates Z: 15 20.229 1.786 0.865 0.747 0.929 0.714 CB 1.402 15 residues pruned to eliminate duplicates Z: 13 19.365 1.747 0.783 0.842 1.000 0.917 CB 1.338 13 residues pruned to eliminate duplicates Z: 16 15.014 1.715 0.916 0.644 0.800 0.667 CB 1.290 16 residues pruned to eliminate duplicates Z: 15 19.057 1.770 0.905 0.773 0.929 0.786 CB 1.278 15 residues pruned to eliminate duplicates Z: 8 4.422 1.730 0.040 0.351 0.857 0.429 CB 1.273 8 residues pruned to eliminate duplicates Z: 6 2.262 1.257 0.352 0.254 0.800 0.200 N 0.986 4 residues pruned to eliminate duplicates Z: 6 6.236 1.510 0.497 0.756 1.000 0.800 CB 0.982 8 residues pruned to eliminate duplicates Z: 6 5.495 1.541 0.438 0.681 0.800 0.400 CB 1.174 6 residues pruned to eliminate duplicates Z: 7 6.168 1.534 0.261 0.737 1.000 0.333 CB 1.053 6 residues pruned to eliminate duplicates Z: 7 7.317 1.721 0.507 0.641 1.000 0.500 CB 1.009 13 residues pruned to eliminate duplicates Z: 9 5.637 1.475 0.629 0.600 0.875 0.500 CA 0.862 9 residues pruned to eliminate duplicates Z: 10 6.901 1.649 0.349 0.553 1.000 0.556 CB 0.982 8 residues pruned to eliminate duplicates Z: 6 5.474 1.825 0.854 0.679 1.000 0.600 CB 0.614 6 residues pruned to eliminate duplicates Z: 15 7.190 1.571 0.517 0.532 0.857 0.643 CB 0.912 16 residues pruned to eliminate duplicates Z: 7 5.406 1.371 0.697 0.423 1.000 0.000 CB 1.027 7 residues pruned to eliminate duplicates Z: 8 5.765 1.623 0.350 0.866 0.857 0.857 CB 0.849 8 residues pruned to eliminate duplicates Z: 13 8.408 1.730 0.481 0.344 0.917 0.250 N 1.224 22 residues pruned to eliminate duplicates Z: 13 13.946 1.747 0.413 0.928 1.000 0.917 CB 1.142 13 residues pruned to eliminate duplicates Z: 21 18.191 1.739 0.646 0.582 1.000 0.600 CB 1.313 22 residues pruned to eliminate duplicates Z: 15 14.628 1.744 0.343 0.901 1.000 0.857 CB 1.191 15 residues pruned to eliminate duplicates Z: 18 15.854 1.741 0.531 0.732 1.000 0.647 CB 1.171 18 residues pruned to eliminate duplicates Z: 21 16.999 1.800 0.689 0.536 0.950 0.600 CB 1.271 20 residues pruned to eliminate duplicates Z: 14 16.689 1.627 0.683 0.845 1.000 0.769 CB 1.257 14 residues pruned to eliminate duplicates Z: 20 14.696 1.749 0.455 0.689 1.000 0.526 CB 1.114 20 residues pruned to eliminate duplicates Z: 21 18.921 1.769 0.706 0.672 1.000 0.750 CB 1.196 21 residues pruned to eliminate duplicates Z: 16 16.272 1.791 0.405 0.841 1.000 0.733 CB 1.246 16 residues pruned to eliminate duplicates Z: 13 11.296 1.805 0.457 0.889 0.833 0.500 CB 1.071 13 residues pruned to eliminate duplicates Z: 23 13.733 1.745 0.517 0.595 0.864 0.591 CB 1.170 23 residues pruned to eliminate duplicates Z: 12 5.843 1.638 0.810 0.551 0.909 0.727 CB 0.622 12 residues pruned to eliminate duplicates Z: 16 11.191 1.761 1.055 0.583 0.933 0.533 CB 0.790 17 residues pruned to eliminate duplicates Z: 16 13.753 1.722 1.159 0.773 0.867 0.267 CB 0.866 16 residues pruned to eliminate duplicates Z: 25 19.292 1.756 0.901 0.755 0.958 0.500 CB 0.980 25 residues pruned to eliminate duplicates Z: 16 12.182 1.746 0.262 0.786 0.933 0.800 CB 1.189 16 residues pruned to eliminate duplicates Z: 21 15.025 1.686 0.643 0.590 0.850 0.500 CB 1.309 20 residues pruned to eliminate duplicates Z: 12 11.093 1.779 0.338 0.852 1.000 0.727 CB 1.039 12 residues pruned to eliminate duplicates Z: 20 15.792 1.701 0.631 0.557 0.895 0.474 CB 1.380 20 residues pruned to eliminate duplicates Z: 16 12.266 1.790 0.522 0.791 0.867 0.667 CB 1.039 16 residues pruned to eliminate duplicates Z: 14 8.780 1.623 0.451 0.762 0.923 0.615 CB 0.887 14 residues pruned to eliminate duplicates Z: 12 12.738 1.839 0.400 0.813 1.000 0.818 CB 1.136 12 residues pruned to eliminate duplicates Z: 23 14.493 1.829 0.571 0.720 0.909 0.545 CB 0.970 23 residues pruned to eliminate duplicates Z: 20 15.088 1.813 0.496 0.760 1.000 0.632 CB 1.013 20 residues pruned to eliminate duplicates Z: 23 18.868 1.847 0.685 0.712 1.000 0.682 CB 1.066 23 residues pruned to eliminate duplicates Z: 25 15.394 1.785 0.651 0.707 0.875 0.667 CB 1.010 25 residues pruned to eliminate duplicates Z: 19 14.992 1.771 0.797 0.680 0.889 0.500 CB 1.058 19 residues pruned to eliminate duplicates Z: 16 14.683 1.801 0.876 0.765 0.933 0.667 CB 0.951 16 residues pruned to eliminate duplicates Z: 10 11.188 1.866 1.003 0.794 0.889 0.889 CB 0.867 10 residues pruned to eliminate duplicates Z: 22 17.567 1.848 0.799 0.721 1.000 0.667 CB 0.944 22 residues pruned to eliminate duplicates Z: 23 16.564 1.771 0.831 0.660 0.909 0.682 CB 1.033 24 residues pruned to eliminate duplicates Z: 18 12.663 1.728 0.680 0.739 0.941 0.588 CB 0.907 18 residues pruned to eliminate duplicates Z: 18 15.511 1.888 0.746 0.623 1.000 0.647 CB 1.016 18 residues pruned to eliminate duplicates Z: 21 15.631 1.879 0.644 0.711 0.950 0.600 CB 0.983 21 residues pruned to eliminate duplicates Z: 22 15.728 1.850 0.883 0.747 0.905 0.619 CB 0.873 22 residues pruned to eliminate duplicates Z: 24 18.679 1.808 0.717 0.721 0.913 0.652 CB 1.125 24 residues pruned to eliminate duplicates Z: 25 18.054 1.792 0.706 0.728 1.000 0.708 CB 0.981 25 residues pruned to eliminate duplicates Z: 23 16.329 1.763 0.714 0.641 0.909 0.455 CB 1.111 19 residues pruned to eliminate duplicates Z: 13 19.358 1.888 0.878 0.734 0.917 0.750 CB 1.393 13 residues pruned to eliminate duplicates Z: 12 12.687 1.805 0.760 0.501 1.000 0.455 CB 1.203 12 residues pruned to eliminate duplicates Z: 24 18.740 1.839 0.785 0.553 0.913 0.696 CB 1.238 24 residues pruned to eliminate duplicates Z: 32 14.674 1.713 0.709 0.473 0.903 0.613 CB 1.024 28 residues pruned to eliminate duplicates Z: 9 9.718 1.798 0.581 0.849 1.000 1.000 CB 0.896 9 residues pruned to eliminate duplicates Z: 13 16.420 1.854 0.754 0.647 1.000 0.583 CA 1.271 13 residues pruned to eliminate duplicates Z: 23 19.467 1.867 0.784 0.542 0.909 0.591 CB 1.316 31 residues pruned to eliminate duplicates Z: 12 24.634 1.890 0.968 0.864 1.000 1.000 CA 1.465 12 residues pruned to eliminate duplicates Z: 28 22.856 1.754 0.888 0.562 0.926 0.667 CB 1.350 36 residues pruned to eliminate duplicates Z: 12 24.579 1.893 0.950 0.816 1.000 0.636 CA 1.525 12 residues pruned to eliminate duplicates Z: 24 20.214 1.842 0.932 0.494 0.913 0.565 CB 1.305 22 residues pruned to eliminate duplicates Z: 13 21.334 1.737 1.077 0.769 1.000 0.667 N 1.345 13 residues pruned to eliminate duplicates Z: 28 16.246 1.756 0.818 0.450 0.926 0.370 CB 1.113 25 residues pruned to eliminate duplicates Z: 17 18.541 1.783 0.884 0.659 0.938 0.750 CB 1.269 17 residues pruned to eliminate duplicates Z: 24 20.602 1.858 0.861 0.626 0.913 0.696 CB 1.208 35 residues pruned to eliminate duplicates Z: 8 7.303 1.708 0.622 0.525 0.857 0.714 CB 1.134 21 residues pruned to eliminate duplicates Z: 6 8.603 1.666 0.635 0.865 0.800 0.800 N 1.294 6 residues pruned to eliminate duplicates Z: 11 6.607 1.650 0.559 0.574 0.700 0.500 CB 1.081 10 residues pruned to eliminate duplicates Z: 10 6.876 1.377 0.999 0.625 0.778 0.667 CB 0.951 10 residues pruned to eliminate duplicates Z: 9 9.627 1.722 0.841 0.684 0.875 0.625 CB 1.036 10 residues pruned to eliminate duplicates Z: 8 6.793 1.443 0.870 0.818 0.857 0.857 CB 0.842 8 residues pruned to eliminate duplicates Z: 11 7.552 1.635 0.684 0.664 0.800 0.700 CB 0.932 11 residues pruned to eliminate duplicates Z: 11 5.401 1.623 0.391 0.610 0.800 0.500 CB 0.852 10 residues pruned to eliminate duplicates Z: 13 12.692 1.746 0.659 0.842 0.917 0.583 CB 1.028 13 residues pruned to eliminate duplicates Z: 28 12.126 1.752 0.338 0.520 0.852 0.519 CB 1.146 23 residues pruned to eliminate duplicates Z: 12 17.721 1.786 0.973 0.822 0.909 0.636 CB 1.262 12 residues pruned to eliminate duplicates Z: 12 11.473 1.725 0.447 0.827 0.909 0.909 CB 1.149 12 residues pruned to eliminate duplicates Z: 30 14.082 1.694 0.555 0.484 0.931 0.586 CB 1.084 31 residues pruned to eliminate duplicates Z: 12 14.806 1.805 0.755 0.804 0.909 0.636 CB 1.189 12 residues pruned to eliminate duplicates Z: 18 16.725 1.816 0.695 0.666 1.000 0.647 CB 1.130 18 residues pruned to eliminate duplicates Z: 17 12.125 1.769 0.843 0.589 0.812 0.312 CB 1.051 17 residues pruned to eliminate duplicates Z: 19 15.400 1.790 0.618 0.724 0.944 0.778 CB 1.085 19 residues pruned to eliminate duplicates Z: 11 5.552 1.617 0.814 0.483 0.700 0.400 CB 0.870 11 residues pruned to eliminate duplicates Z: 18 16.199 1.782 0.529 0.693 0.941 0.824 CB 1.285 18 residues pruned to eliminate duplicates Z: 20 13.442 1.787 0.412 0.645 0.947 0.789 CB 1.127 20 residues pruned to eliminate duplicates Z: 28 13.394 1.768 0.478 0.526 0.889 0.630 CB 1.082 28 residues pruned to eliminate duplicates Z: 28 13.628 1.763 0.485 0.540 0.852 0.704 CB 1.131 28 residues pruned to eliminate duplicates Z: 10 6.198 1.754 0.194 0.453 0.889 0.556 CB 1.164 10 residues pruned to eliminate duplicates Z: 21 15.171 1.649 0.446 0.681 1.000 0.600 CB 1.205 16 residues pruned to eliminate duplicates Z: 14 17.152 1.754 0.412 0.853 1.000 0.923 CB 1.419 14 residues pruned to eliminate duplicates Z: 14 8.487 1.724 0.526 0.502 0.692 0.692 N 1.291 14 residues pruned to eliminate duplicates Z: 16 13.910 1.784 0.485 0.732 0.867 0.667 CB 1.269 16 residues pruned to eliminate duplicates Z: 17 9.141 1.716 0.408 0.614 0.750 0.500 CB 1.131 17 residues pruned to eliminate duplicates Z: 10 12.140 1.854 0.389 0.709 0.889 0.667 N 1.462 10 residues pruned to eliminate duplicates Z: 15 15.458 1.723 0.705 0.686 0.929 0.500 CB 1.277 15 residues pruned to eliminate duplicates Z: 19 10.705 1.613 0.518 0.419 0.889 0.444 N 1.262 19 residues pruned to eliminate duplicates Z: 15 17.501 1.788 0.688 0.803 0.929 0.500 CB 1.281 15 residues pruned to eliminate duplicates Z: 15 16.637 1.769 0.606 0.785 0.929 0.643 CB 1.311 15 residues pruned to eliminate duplicates Z: 16 16.186 1.636 0.629 0.815 0.933 0.800 N 1.277 16 residues pruned to eliminate duplicates Z: 20 13.043 1.698 0.509 0.685 0.947 0.316 CB 1.041 20 residues pruned to eliminate duplicates Z: 7 3.787 1.743 0.396 0.710 0.833 0.667 CB 0.630 7 residues pruned to eliminate duplicates Z: 10 3.779 1.594 0.478 0.499 0.778 0.556 CB 0.688 10 residues pruned to eliminate duplicates Z: 21 9.954 1.668 0.450 0.551 0.900 0.650 CB 0.972 18 residues pruned to eliminate duplicates Z: 18 13.844 1.643 0.504 0.920 1.000 0.882 CB 0.957 15 residues pruned to eliminate duplicates Z: 17 14.591 1.662 0.924 0.816 1.000 0.750 CB 0.867 18 residues pruned to eliminate duplicates Z: 13 13.373 1.753 0.724 0.871 1.000 0.667 CB 0.932 13 residues pruned to eliminate duplicates Z: 18 10.267 1.724 0.459 0.622 0.882 0.588 CB 1.000 18 residues pruned to eliminate duplicates Z: 25 11.111 1.646 0.676 0.535 0.792 0.500 CB 1.003 46 residues pruned to eliminate duplicates Z: 16 10.979 1.737 0.674 0.710 0.867 0.600 CB 0.930 Z: 12 13.100 1.712 0.974 0.900 1.000 0.636 CB 0.835 13 residues pruned to eliminate duplicates Z: 16 10.165 1.715 0.797 0.901 0.933 0.733 CB 0.651 13 residues pruned to eliminate duplicates Z: 18 13.328 1.688 0.731 0.855 0.941 0.647 CB 0.867 18 residues pruned to eliminate duplicates Z: 18 14.972 1.649 0.888 0.879 1.000 0.706 CB 0.846 18 residues pruned to eliminate duplicates Z: 18 16.826 1.674 0.866 0.889 1.000 0.882 CB 0.941 17 residues pruned to eliminate duplicates Z: 18 14.826 1.697 0.681 0.873 0.941 0.765 CB 0.975 18 residues pruned to eliminate duplicates Z: 10 5.186 1.408 0.380 0.605 0.778 0.556 CB 1.035 10 residues pruned to eliminate duplicates Z: 7 4.012 1.409 0.558 0.662 0.833 0.667 CB 0.771 7 residues pruned to eliminate duplicates Z: 8 6.549 1.520 0.751 0.748 0.714 0.714 CB 1.043 8 residues pruned to eliminate duplicates Z: 7 5.594 1.229 0.933 0.545 1.000 0.500 CA 0.919 Z: 7 3.456 1.229 0.765 0.414 0.833 0.667 CB 0.855 Z: 8 3.494 1.357 0.326 0.605 0.857 0.714 CB 0.775 Z: 7 2.744 1.285 0.104 0.700 1.000 0.667 CB 0.658 7 residues pruned to eliminate duplicates Z: 6 2.478 1.516 -0.197 0.665 0.800 0.200 CB 0.977 Z: 9 4.908 1.510 -0.076 0.852 1.000 0.875 CB 0.920 13 residues pruned to eliminate duplicates Z: 15 13.265 1.629 0.431 0.745 0.929 0.786 CB 1.316 14 residues pruned to eliminate duplicates Z: 13 16.784 1.677 0.556 0.869 1.000 0.917 CB 1.357 15 residues pruned to eliminate duplicates Z: 10 14.982 1.770 0.797 0.813 0.889 0.667 CB 1.346 10 residues pruned to eliminate duplicates Z: 12 9.317 1.754 0.249 0.632 0.909 0.727 CB 1.246 12 residues pruned to eliminate duplicates Z: 18 18.223 1.856 0.489 0.744 0.882 0.765 CB 1.457 18 residues pruned to eliminate duplicates Z: 13 16.497 1.667 0.493 0.863 1.000 0.833 CA 1.404 13 residues pruned to eliminate duplicates Z: 15 14.353 1.623 0.544 0.856 0.929 0.643 CB 1.216 15 residues pruned to eliminate duplicates Z: 12 10.457 1.566 0.756 0.729 0.727 0.455 N 1.283 12 residues pruned to eliminate duplicates Z: 23 14.133 1.796 0.473 0.545 0.909 0.636 CB 1.199 23 residues pruned to eliminate duplicates Z: 20 16.953 1.810 0.489 0.669 0.947 0.789 CB 1.303 20 residues pruned to eliminate duplicates Z: 20 17.139 1.825 0.595 0.667 0.947 0.737 CB 1.222 20 residues pruned to eliminate duplicates Z: 18 18.987 1.881 0.632 0.752 0.941 0.765 CB 1.274 18 residues pruned to eliminate duplicates Z: 18 19.799 1.872 0.608 0.736 0.941 0.765 CB 1.371 18 residues pruned to eliminate duplicates Z: 22 14.115 1.744 0.616 0.580 0.905 0.667 CB 1.118 22 residues pruned to eliminate duplicates Z: 8 6.226 1.683 0.428 0.523 0.857 0.571 CB 1.117 Z: 7 5.330 1.454 0.629 0.504 0.833 0.333 CA 1.098 15 residues pruned to eliminate duplicates Z: 23 16.285 1.777 0.412 0.590 0.955 0.636 CB 1.330 23 residues pruned to eliminate duplicates 6 1.890 1.131 0.368 0.211 0.800 0.400 CB 0.961 ? Z: 7 4.802 1.474 0.536 0.408 0.833 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 9 3.942 1.570 0.113 0.405 0.875 0.500 CB 1.007 9 residues pruned to eliminate duplicates Z: 9 4.510 1.574 0.453 0.381 0.875 0.500 CB 0.905 9 residues pruned to eliminate duplicates Z: 15 13.120 1.752 0.436 0.811 0.929 0.786 CB 1.145 15 residues pruned to eliminate duplicates Z: 19 15.232 1.727 0.521 0.734 1.000 0.722 CB 1.107 19 residues pruned to eliminate duplicates Z: 16 12.502 1.654 0.493 0.742 0.933 0.800 N 1.127 16 residues pruned to eliminate duplicates Z: 21 19.416 1.727 0.698 0.803 0.900 0.700 CB 1.263 21 residues pruned to eliminate duplicates Z: 35 21.385 1.731 0.668 0.706 0.794 0.559 N 1.327 35 residues pruned to eliminate duplicates Z: 21 19.048 1.745 0.530 0.771 0.950 0.800 CB 1.321 21 residues pruned to eliminate duplicates Z: 20 15.815 1.680 0.605 0.703 0.842 0.579 CB 1.328 20 residues pruned to eliminate duplicates Z: 19 19.515 1.777 0.583 0.842 1.000 0.833 CB 1.219 19 residues pruned to eliminate duplicates Z: 22 14.536 1.656 0.693 0.629 0.810 0.476 CB 1.238 22 residues pruned to eliminate duplicates Z: 18 16.855 1.674 0.701 0.757 0.941 0.588 CB 1.213 18 residues pruned to eliminate duplicates Z: 19 18.212 1.733 0.580 0.805 0.889 0.667 N 1.351 19 residues pruned to eliminate duplicates Z: 24 18.287 1.723 0.492 0.741 0.870 0.652 CB 1.375 24 residues pruned to eliminate duplicates Z: 24 25.144 1.778 0.681 0.862 0.957 0.739 CB 1.346 24 residues pruned to eliminate duplicates Z: 32 24.267 1.748 0.705 0.736 0.871 0.645 CB 1.358 32 residues pruned to eliminate duplicates Z: 23 18.438 1.706 0.796 0.721 0.909 0.545 CB 1.156 23 residues pruned to eliminate duplicates Z: 13 17.151 1.816 0.535 0.847 1.000 0.917 CB 1.318 13 residues pruned to eliminate duplicates Z: 24 14.095 1.736 0.582 0.644 0.870 0.609 CB 1.076 24 residues pruned to eliminate duplicates Z: 13 15.278 1.816 0.569 0.800 0.917 0.750 CB 1.298 13 residues pruned to eliminate duplicates Z: 12 14.497 1.817 0.539 0.809 0.909 0.909 CB 1.313 12 residues pruned to eliminate duplicates Z: 22 15.699 1.810 0.640 0.734 0.857 0.810 CB 1.091 22 residues pruned to eliminate duplicates Z: 23 15.344 1.738 0.541 0.699 0.864 0.682 CB 1.180 23 residues pruned to eliminate duplicates Z: 25 18.001 1.737 0.619 0.702 0.917 0.750 CB 1.186 25 residues pruned to eliminate duplicates Z: 22 13.531 1.770 0.565 0.674 0.810 0.667 CB 1.121 22 residues pruned to eliminate duplicates Z: 13 15.296 1.788 0.542 0.812 0.917 0.917 N 1.332 13 residues pruned to eliminate duplicates Z: 12 7.413 1.559 0.456 0.599 0.818 0.455 CB 1.096 12 residues pruned to eliminate duplicates Z: 12 6.820 1.703 0.352 0.472 0.818 0.545 CB 1.124 11 residues pruned to eliminate duplicates Z: 14 19.331 1.929 0.783 0.858 1.000 0.923 CB 1.148 14 residues pruned to eliminate duplicates Z: 15 18.924 1.908 0.571 0.874 1.000 0.786 CB 1.228 15 residues pruned to eliminate duplicates Z: 14 18.497 1.887 0.916 0.869 0.846 0.769 CB 1.226 14 residues pruned to eliminate duplicates Z: 16 18.039 1.845 0.820 0.854 1.000 0.867 CB 1.024 16 residues pruned to eliminate duplicates Z: 14 17.425 1.809 0.925 0.893 1.000 0.769 CB 0.996 14 residues pruned to eliminate duplicates Z: 13 24.146 1.919 1.140 0.867 0.917 0.667 CB 1.355 13 residues pruned to eliminate duplicates Z: 16 15.907 1.841 0.655 0.804 0.933 0.733 CB 1.107 16 residues pruned to eliminate duplicates Z: 23 18.283 1.808 0.718 0.716 1.000 0.682 CB 1.032 23 residues pruned to eliminate duplicates Z: 16 18.588 1.860 0.655 0.846 0.933 0.867 CB 1.242 16 residues pruned to eliminate duplicates Z: 14 19.393 1.904 0.876 0.883 1.000 0.769 CB 1.089 14 residues pruned to eliminate duplicates Z: 16 19.589 1.833 0.786 0.869 0.933 0.733 CB 1.209 16 residues pruned to eliminate duplicates Z: 9 4.004 1.403 0.912 0.328 0.625 0.500 CB 1.019 9 residues pruned to eliminate duplicates Z: 17 8.553 1.533 0.654 0.600 0.812 0.562 CB 0.943 15 residues pruned to eliminate duplicates Z: 10 10.007 1.678 0.481 0.845 1.000 0.778 CB 0.998 10 residues pruned to eliminate duplicates Z: 12 8.674 1.628 0.468 0.786 0.909 0.727 CB 0.936 12 residues pruned to eliminate duplicates Z: 10 9.682 1.675 0.595 0.852 1.000 0.889 CB 0.893 10 residues pruned to eliminate duplicates Z: 9 7.979 1.702 0.661 0.737 1.000 0.625 CB 0.806 9 residues pruned to eliminate duplicates Z: 12 10.337 1.634 0.418 0.713 1.000 0.818 CB 1.109 12 residues pruned to eliminate duplicates Z: 10 9.077 1.630 0.623 0.798 0.889 0.889 CB 0.991 10 residues pruned to eliminate duplicates Z: 6 4.876 1.579 0.200 0.480 1.000 0.400 CB 1.174 6 residues pruned to eliminate duplicates Z: 7 4.169 1.435 0.107 0.376 1.000 0.500 O 1.224 6 residues pruned to eliminate duplicates Z: 12 8.609 1.447 0.172 0.905 1.000 1.000 O 1.089 12 residues pruned to eliminate duplicates Z: 14 10.660 1.428 0.318 0.795 1.000 0.923 CB 1.213 15 residues pruned to eliminate duplicates Z: 12 8.876 1.436 0.174 0.815 1.000 0.727 O 1.207 11 residues pruned to eliminate duplicates Z: 11 4.935 1.355 0.078 0.708 0.800 0.400 O 1.106 11 residues pruned to eliminate duplicates Z: 9 3.949 1.254 0.433 0.642 0.875 0.625 CB 0.778 9 residues pruned to eliminate duplicates Z: 8 4.781 1.435 0.320 0.577 1.000 0.857 CB 0.886 8 residues pruned to eliminate duplicates Z: 11 6.317 1.418 0.293 0.690 0.800 0.800 O 1.144 11 residues pruned to eliminate duplicates Z: 11 5.727 1.512 0.440 0.616 0.800 0.500 CB 0.931 11 residues pruned to eliminate duplicates Z: 12 4.962 1.473 0.428 0.548 0.909 0.545 CB 0.747 12 residues pruned to eliminate duplicates Z: 13 5.636 1.529 0.189 0.575 0.833 0.583 CB 1.000 13 residues pruned to eliminate duplicates Z: 11 5.230 1.440 0.284 0.766 0.800 0.700 CB 0.883 11 residues pruned to eliminate duplicates Z: 7 3.896 1.336 0.508 0.629 0.833 0.167 CB 0.840 7 residues pruned to eliminate duplicates Z: 9 6.138 1.326 0.570 0.658 0.875 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 8 7.855 1.288 0.735 0.769 1.000 0.714 CB 1.047 9 residues pruned to eliminate duplicates Z: 7 5.594 1.407 0.740 0.660 0.833 0.500 CB 0.965 7 residues pruned to eliminate duplicates Z: 10 5.707 1.623 0.288 0.468 0.889 0.778 CB 1.057 10 residues pruned to eliminate duplicates Z: 10 5.879 1.609 0.042 0.643 0.889 0.778 CB 1.150 10 residues pruned to eliminate duplicates Z: 12 8.369 1.568 0.288 0.553 1.000 0.909 N 1.187 11 residues pruned to eliminate duplicates Z: 13 9.581 1.613 0.289 0.853 0.917 0.583 CB 1.073 13 residues pruned to eliminate duplicates Z: 12 5.929 1.618 0.158 0.617 0.909 0.636 CB 0.940 12 residues pruned to eliminate duplicates Z: 15 15.086 1.734 0.622 0.717 1.000 0.643 CB 1.178 15 residues pruned to eliminate duplicates Z: 21 13.310 1.700 0.385 0.534 1.000 0.600 CB 1.223 21 residues pruned to eliminate duplicates Z: 21 9.530 1.637 0.593 0.525 0.850 0.700 CB 0.938 21 residues pruned to eliminate duplicates Z: 16 11.933 1.723 0.428 0.717 0.933 0.933 CB 1.103 16 residues pruned to eliminate duplicates Z: 19 14.722 1.770 0.575 0.592 0.944 0.722 CB 1.208 20 residues pruned to eliminate duplicates Z: 12 17.523 1.849 0.466 0.891 1.000 0.909 CB 1.401 12 residues pruned to eliminate duplicates Z: 20 12.713 1.757 0.414 0.615 0.842 0.684 CB 1.251 20 residues pruned to eliminate duplicates Z: 19 13.419 1.707 0.594 0.604 0.889 0.556 CB 1.184 19 residues pruned to eliminate duplicates Z: 8 6.651 1.523 0.765 0.600 1.000 0.857 CB 0.850 8 residues pruned to eliminate duplicates Z: 13 17.626 1.828 0.474 0.892 1.000 0.833 N 1.356 13 residues pruned to eliminate duplicates Z: 22 16.845 1.748 0.738 0.561 0.905 0.571 CB 1.261 22 residues pruned to eliminate duplicates Z: 22 15.228 1.737 0.747 0.534 0.810 0.571 CB 1.308 22 residues pruned to eliminate duplicates Z: 18 18.758 1.905 0.775 0.578 0.882 0.706 CA 1.414 32 residues pruned to eliminate duplicates Z: 12 16.523 1.718 1.013 0.843 0.909 0.818 CA 1.180 12 residues pruned to eliminate duplicates Z: 24 14.767 1.751 0.653 0.453 0.913 0.522 CB 1.223 24 residues pruned to eliminate duplicates Z: 23 13.976 1.691 0.622 0.541 0.864 0.500 CB 1.209 23 residues pruned to eliminate duplicates Z: 20 18.425 1.893 0.786 0.549 0.895 0.526 CB 1.332 20 residues pruned to eliminate duplicates Z: 15 16.459 1.897 0.702 0.562 0.929 0.429 CB 1.382 15 residues pruned to eliminate duplicates Z: 21 15.082 1.851 0.537 0.446 0.900 0.600 CA 1.393 21 residues pruned to eliminate duplicates Z: 21 14.923 1.818 0.473 0.450 1.000 0.450 CB 1.311 21 residues pruned to eliminate duplicates Z: 18 14.349 1.826 0.509 0.536 0.941 0.529 CB 1.296 18 residues pruned to eliminate duplicates Z: 19 14.636 1.824 0.596 0.505 0.889 0.500 CB 1.326 19 residues pruned to eliminate duplicates Z: 28 15.147 1.771 0.659 0.446 0.815 0.556 CB 1.287 28 residues pruned to eliminate duplicates Z: 7 2.571 1.547 0.271 0.341 0.667 0.500 CB 0.952 7 residues pruned to eliminate duplicates Z: 8 2.193 1.590 0.050 0.281 0.714 0.429 CB 0.889 8 residues pruned to eliminate duplicates Z: 7 2.661 1.528 0.568 0.382 0.667 0.500 CB 0.771 7 residues pruned to eliminate duplicates Z: 7 2.475 1.384 0.684 0.244 0.667 0.167 N 0.874 Z: 6 3.102 1.690 0.193 0.272 0.800 0.800 CB 1.115 Z: 8 5.468 1.787 0.575 0.487 0.571 0.429 N 1.301 14 residues pruned to eliminate duplicates Z: 10 9.301 1.836 0.388 0.431 1.000 0.444 N 1.307 10 residues pruned to eliminate duplicates Z: 16 12.453 1.745 0.374 0.628 1.000 0.733 CB 1.189 16 residues pruned to eliminate duplicates Z: 15 12.662 1.788 0.530 0.581 1.000 0.643 CB 1.144 15 residues pruned to eliminate duplicates Z: 23 8.427 1.626 0.363 0.497 1.000 0.727 CB 0.813 23 residues pruned to eliminate duplicates Z: 14 14.472 1.747 0.618 0.604 1.000 0.692 CB 1.287 14 residues pruned to eliminate duplicates Z: 16 12.245 1.790 0.494 0.661 0.867 0.667 CB 1.175 20 residues pruned to eliminate duplicates Z: 19 9.965 1.730 0.353 0.464 0.889 0.500 CB 1.171 17 residues pruned to eliminate duplicates Z: 18 10.207 1.657 0.527 0.507 0.941 0.647 CB 1.033 18 residues pruned to eliminate duplicates Z: 16 11.502 1.783 0.537 0.527 0.933 0.533 CB 1.131 16 residues pruned to eliminate duplicates Z: 19 10.448 1.753 0.295 0.545 0.944 0.667 CB 1.099 19 residues pruned to eliminate duplicates Z: 20 12.942 1.747 0.480 0.553 0.947 0.579 CB 1.151 16 residues pruned to eliminate duplicates Z: 6 3.182 1.290 0.517 0.318 0.800 0.400 C 1.111 Z: 9 8.026 1.414 0.263 0.809 1.000 0.875 O 1.215 10 residues pruned to eliminate duplicates Z: 11 9.945 1.496 0.362 0.795 1.000 0.600 CB 1.191 12 residues pruned to eliminate duplicates Z: 14 10.507 1.365 0.496 0.858 1.000 0.846 CB 1.050 12 residues pruned to eliminate duplicates Z: 10 6.147 1.324 0.262 0.849 1.000 0.667 CB 0.909 10 residues pruned to eliminate duplicates Z: 11 8.242 1.393 0.472 0.819 0.900 0.600 CB 1.071 11 residues pruned to eliminate duplicates Z: 10 9.846 1.487 0.399 0.817 1.000 0.667 CB 1.198 10 residues pruned to eliminate duplicates Z: 11 6.738 1.424 0.379 0.674 0.800 0.600 N 1.155 11 residues pruned to eliminate duplicates Z: 10 5.641 1.336 0.371 0.486 0.889 0.667 N 1.172 10 residues pruned to eliminate duplicates Z: 9 8.228 1.340 0.501 0.833 1.000 0.750 CB 1.084 9 residues pruned to eliminate duplicates Z: 14 10.008 1.417 0.564 0.818 0.923 0.462 N 1.029 13 residues pruned to eliminate duplicates Z: 8 4.828 1.367 0.337 0.707 0.857 0.429 N 0.965 8 residues pruned to eliminate duplicates Z: 7 4.379 1.336 0.601 0.640 0.833 0.333 N 0.880 7 residues pruned to eliminate duplicates Z: 7 2.922 1.157 0.464 0.597 0.833 0.500 N 0.770 7 residues pruned to eliminate duplicates Z: 9 5.237 1.679 0.281 0.359 0.875 0.625 CB 1.145 9 residues pruned to eliminate duplicates Z: 9 5.108 1.539 0.405 0.405 0.875 0.500 CB 1.054 9 residues pruned to eliminate duplicates Z: 8 5.180 1.694 0.209 0.592 0.857 0.714 CB 1.021 8 residues pruned to eliminate duplicates Z: 9 4.870 1.601 0.253 0.346 1.000 0.375 CB 1.014 9 residues pruned to eliminate duplicates Z: 8 5.011 1.638 0.274 0.350 1.000 0.714 CB 1.068 8 residues pruned to eliminate duplicates Z: 7 7.967 1.733 0.282 0.711 1.000 0.667 CB 1.209 7 residues pruned to eliminate duplicates Z: 9 7.034 1.506 0.707 0.563 0.875 0.750 CB 1.040 9 residues pruned to eliminate duplicates Z: 9 4.815 1.585 0.273 0.566 0.750 0.250 CB 1.055 9 residues pruned to eliminate duplicates Z: 10 3.996 1.319 0.402 0.375 0.778 0.556 CB 1.059 Z: 15 25.539 1.823 1.068 0.673 1.000 0.500 N 1.544 15 residues pruned to eliminate duplicates Z: 25 21.434 1.887 0.821 0.591 0.875 0.500 CB 1.334 25 residues pruned to eliminate duplicates Z: 20 22.246 1.941 0.694 0.640 0.895 0.579 CB 1.522 20 residues pruned to eliminate duplicates Z: 25 17.568 1.798 0.757 0.533 0.792 0.375 CB 1.389 25 residues pruned to eliminate duplicates Z: 39 20.378 1.801 0.763 0.493 0.763 0.500 CB 1.373 40 residues pruned to eliminate duplicates Z: 14 24.144 1.777 1.227 0.825 0.923 0.615 N 1.383 14 residues pruned to eliminate duplicates Z: 26 23.767 1.821 0.940 0.574 0.880 0.680 N 1.424 26 residues pruned to eliminate duplicates Z: 28 19.226 1.734 0.819 0.480 0.889 0.370 CB 1.347 28 residues pruned to eliminate duplicates Z: 16 23.798 1.840 1.005 0.673 1.000 0.533 CB 1.419 16 residues pruned to eliminate duplicates Z: 20 21.675 1.932 0.785 0.625 0.842 0.632 CB 1.522 20 residues pruned to eliminate duplicates Z: 24 21.916 1.934 0.644 0.582 0.913 0.696 CB 1.455 23 residues pruned to eliminate duplicates Z: 13 23.294 1.935 0.925 0.832 0.917 0.750 CA 1.478 13 residues pruned to eliminate duplicates Z: 23 22.024 1.923 0.637 0.655 0.909 0.591 CB 1.421 23 residues pruned to eliminate duplicates Z: 25 21.944 1.905 0.800 0.578 0.875 0.625 CB 1.384 25 residues pruned to eliminate duplicates Z: 21 21.509 1.945 0.758 0.635 0.900 0.650 CB 1.377 21 residues pruned to eliminate duplicates Z: 23 21.578 1.922 0.781 0.620 0.909 0.636 CB 1.321 23 residues pruned to eliminate duplicates Z: 24 23.468 1.912 0.861 0.586 0.913 0.609 CB 1.386 24 residues pruned to eliminate duplicates Z: 23 25.526 1.953 0.852 0.570 0.909 0.636 CB 1.547 23 residues pruned to eliminate duplicates Z: 24 21.782 1.945 0.714 0.601 0.870 0.652 CB 1.423 24 residues pruned to eliminate duplicates Z: 26 17.441 1.828 0.612 0.556 0.840 0.560 CB 1.334 26 residues pruned to eliminate duplicates Z: 21 19.230 1.880 0.699 0.548 0.900 0.600 CB 1.427 21 residues pruned to eliminate duplicates Z: 22 19.501 1.904 0.599 0.562 0.952 0.571 CB 1.382 22 residues pruned to eliminate duplicates Z: 22 15.812 1.736 0.466 0.674 0.905 0.714 CB 1.275 22 residues pruned to eliminate duplicates Z: 29 20.180 1.829 0.574 0.558 0.929 0.714 CB 1.349 29 residues pruned to eliminate duplicates Z: 12 22.466 1.903 0.732 0.844 1.000 1.000 CB 1.529 12 residues pruned to eliminate duplicates Z: 41 18.240 1.850 0.381 0.445 0.925 0.650 CB 1.291 47 residues pruned to eliminate duplicates Z: 29 22.221 1.872 0.446 0.605 0.964 0.643 CB 1.456 29 residues pruned to eliminate duplicates Z: 13 16.256 1.789 0.475 0.812 0.917 0.917 CB 1.479 13 residues pruned to eliminate duplicates Z: 30 22.661 1.849 0.517 0.613 0.966 0.655 CB 1.396 30 residues pruned to eliminate duplicates Z: 26 21.574 1.913 0.586 0.578 0.920 0.760 CB 1.434 26 residues pruned to eliminate duplicates Z: 30 19.420 1.826 0.548 0.519 0.897 0.621 CB 1.397 30 residues pruned to eliminate duplicates Z: 28 19.941 1.880 0.455 0.580 0.926 0.593 CB 1.403 28 residues pruned to eliminate duplicates Z: 21 14.880 1.794 0.662 0.576 0.800 0.650 CB 1.297 21 residues pruned to eliminate duplicates Z: 31 21.309 1.865 0.684 0.534 0.933 0.533 CB 1.284 31 residues pruned to eliminate duplicates Z: 19 12.394 1.703 0.569 0.600 0.833 0.500 CB 1.193 19 residues pruned to eliminate duplicates Z: 28 20.143 1.870 0.562 0.572 0.926 0.593 CB 1.338 28 residues pruned to eliminate duplicates Z: 27 18.282 1.863 0.428 0.585 0.923 0.692 CB 1.345 27 residues pruned to eliminate duplicates Z: 14 13.752 1.932 0.671 0.470 0.923 0.615 CB 1.318 14 residues pruned to eliminate duplicates Z: 28 16.529 1.819 0.500 0.525 0.852 0.593 CB 1.336 28 residues pruned to eliminate duplicates Z: 21 7.394 1.796 0.378 0.229 0.750 0.550 CB 1.222 21 residues pruned to eliminate duplicates Z: 21 10.709 1.934 0.556 0.275 0.800 0.400 CB 1.284 21 residues pruned to eliminate duplicates Z: 15 13.478 1.925 0.573 0.411 0.929 0.643 CB 1.406 15 residues pruned to eliminate duplicates Z: 15 12.199 1.898 0.605 0.446 0.786 0.571 CB 1.440 15 residues pruned to eliminate duplicates Z: 14 12.452 1.901 0.722 0.366 0.923 0.385 CB 1.319 14 residues pruned to eliminate duplicates Z: 10 5.036 1.685 0.319 0.271 0.889 0.333 CB 1.102 10 residues pruned to eliminate duplicates Z: 36 20.188 1.875 0.693 0.448 0.886 0.514 CB 1.281 36 residues pruned to eliminate duplicates Z: 6 4.039 1.460 0.695 0.428 0.800 0.400 N 0.983 6 residues pruned to eliminate duplicates Z: 20 8.995 1.922 0.506 0.175 0.895 0.421 CB 1.180 20 residues pruned to eliminate duplicates Z: 9 3.026 1.742 0.458 0.062 0.625 0.500 CB 1.198 9 residues pruned to eliminate duplicates Z: 15 6.896 1.863 0.631 0.112 0.857 0.357 CB 1.156 15 residues pruned to eliminate duplicates Z: 37 19.916 1.862 0.570 0.429 0.944 0.528 CB 1.295 36 residues pruned to eliminate duplicates Z: 6 6.760 1.451 1.242 0.459 0.800 0.400 CB 1.212 6 residues pruned to eliminate duplicates Z: 16 7.384 1.872 0.521 0.113 0.867 0.400 CB 1.260 16 residues pruned to eliminate duplicates Z: 34 20.877 1.883 0.617 0.473 0.909 0.667 CB 1.350 34 residues pruned to eliminate duplicates Z: 16 6.073 1.470 0.473 0.276 0.867 0.400 N 1.076 16 residues pruned to eliminate duplicates Z: 40 20.281 1.819 0.501 0.459 0.923 0.667 CB 1.344 40 residues pruned to eliminate duplicates Z: 13 9.562 1.660 0.764 0.253 0.917 0.750 N 1.364 6 residues pruned to eliminate duplicates Z: 8 7.104 1.481 0.387 0.692 1.000 0.429 CB 1.097 8 residues pruned to eliminate duplicates Z: 7 3.516 1.503 -0.019 0.383 0.833 0.667 O 1.323 7 residues pruned to eliminate duplicates Z: 9 3.781 1.531 0.100 0.327 0.750 0.500 O 1.280 6 residues pruned to eliminate duplicates Z: 13 14.574 1.854 0.509 0.906 1.000 1.000 CB 1.070 13 residues pruned to eliminate duplicates Z: 17 13.030 1.793 0.539 0.683 0.875 0.688 CB 1.141 17 residues pruned to eliminate duplicates Z: 19 15.044 1.754 0.588 0.702 0.889 0.611 CB 1.191 19 residues pruned to eliminate duplicates Z: 12 18.352 1.897 0.627 0.890 1.000 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 15 13.671 1.785 0.798 0.739 0.929 0.429 CB 0.989 15 residues pruned to eliminate duplicates Z: 12 20.715 1.940 0.803 0.900 1.000 0.727 CB 1.276 12 residues pruned to eliminate duplicates Z: 18 13.135 1.752 0.528 0.666 0.882 0.529 CB 1.156 18 residues pruned to eliminate duplicates Z: 13 9.019 1.762 0.513 0.536 0.917 0.583 CB 1.029 13 residues pruned to eliminate duplicates Z: 16 14.789 1.771 0.567 0.811 0.933 0.667 CB 1.125 16 residues pruned to eliminate duplicates Z: 20 11.792 1.632 0.651 0.640 0.842 0.474 CB 1.046 20 residues pruned to eliminate duplicates Z: 16 10.880 1.751 0.563 0.682 0.800 0.600 CB 1.085 16 residues pruned to eliminate duplicates Z: 9 8.532 1.815 0.550 0.700 0.875 0.375 CB 1.021 9 residues pruned to eliminate duplicates Z: 7 3.740 1.538 0.367 0.404 0.667 0.500 N 1.205 6 residues pruned to eliminate duplicates Z: 7 7.430 1.557 0.473 0.891 1.000 1.000 CB 0.951 9 residues pruned to eliminate duplicates Z: 8 6.015 1.514 0.412 0.882 1.000 0.857 CB 0.769 8 residues pruned to eliminate duplicates Z: 12 6.496 1.445 0.330 0.575 0.818 0.545 CB 1.159 12 residues pruned to eliminate duplicates Z: 10 6.162 1.399 0.509 0.859 1.000 0.778 CB 0.716 10 residues pruned to eliminate duplicates Z: 9 6.450 1.446 0.659 0.776 1.000 0.750 CB 0.745 9 residues pruned to eliminate duplicates Z: 6 2.204 1.082 0.346 0.549 1.000 1.000 CB 0.645 Z: 10 9.089 1.373 0.778 0.765 1.000 0.556 CB 0.981 10 residues pruned to eliminate duplicates Z: 7 6.772 1.453 0.589 0.644 0.833 0.333 N 1.256 7 residues pruned to eliminate duplicates Z: 8 4.847 1.482 0.382 0.609 0.714 0.143 CB 1.129 8 residues pruned to eliminate duplicates Z: 7 6.636 1.413 0.435 0.667 1.000 0.333 O 1.145 7 residues pruned to eliminate duplicates Z: 11 4.598 1.448 0.418 0.510 0.600 0.100 CB 1.169 11 residues pruned to eliminate duplicates Z: 15 6.766 1.325 0.371 0.660 0.929 0.357 CB 0.924 15 residues pruned to eliminate duplicates Z: 13 7.302 1.405 0.566 0.729 0.917 0.667 N 0.850 13 residues pruned to eliminate duplicates Z: 7 7.638 1.562 0.670 0.700 1.000 0.833 CB 0.996 7 residues pruned to eliminate duplicates Z: 7 7.221 1.545 0.505 0.624 1.000 0.667 CB 1.128 7 residues pruned to eliminate duplicates Z: 6 4.506 1.488 0.638 0.861 1.000 0.800 CB 0.608 6 residues pruned to eliminate duplicates Z: 13 10.016 1.499 0.593 0.751 0.917 0.750 CB 1.056 13 residues pruned to eliminate duplicates Z: 16 11.727 1.537 0.769 0.800 1.000 0.667 CB 0.857 17 residues pruned to eliminate duplicates Z: 18 14.122 1.566 0.699 0.880 0.941 0.882 CB 0.992 15 residues pruned to eliminate duplicates Z: 17 15.633 1.570 0.716 0.859 1.000 0.750 CB 1.067 17 residues pruned to eliminate duplicates Z: 8 8.403 1.554 0.626 0.710 1.000 0.429 N 1.039 8 residues pruned to eliminate duplicates Z: 16 12.615 1.496 0.809 0.732 0.867 0.600 CB 1.127 16 residues pruned to eliminate duplicates Z: 11 8.497 1.547 0.639 0.689 0.900 0.500 CB 0.990 11 residues pruned to eliminate duplicates Z: 17 13.953 1.536 0.825 0.845 0.875 0.812 CB 1.057 17 residues pruned to eliminate duplicates Z: 11 8.831 1.561 0.636 0.759 0.900 0.600 CB 0.965 11 residues pruned to eliminate duplicates Z: 17 13.051 1.517 0.813 0.833 0.938 0.688 CB 0.949 17 residues pruned to eliminate duplicates Z: 18 14.941 1.483 0.859 0.877 0.941 0.824 CB 1.014 18 residues pruned to eliminate duplicates Z: 13 10.947 1.543 0.818 0.791 0.917 0.667 CB 0.952 13 residues pruned to eliminate duplicates Z: 13 10.893 1.538 0.881 0.831 0.917 0.750 CB 0.891 13 residues pruned to eliminate duplicates Z: 8 4.285 1.488 0.604 0.378 0.714 0.714 CB 1.082 6 residues pruned to eliminate duplicates Z: 12 13.596 1.713 0.240 0.890 1.000 0.818 N 1.389 12 residues pruned to eliminate duplicates Z: 9 7.965 1.824 0.273 0.734 0.875 0.875 CB 1.123 9 residues pruned to eliminate duplicates Z: 11 14.437 1.847 0.375 0.774 1.000 0.700 CB 1.411 11 residues pruned to eliminate duplicates Z: 9 9.296 1.851 0.020 0.737 1.000 0.750 CB 1.407 9 residues pruned to eliminate duplicates Z: 8 7.451 1.736 0.229 0.644 0.857 0.571 N 1.346 8 residues pruned to eliminate duplicates Z: 15 9.310 1.575 0.502 0.630 0.857 0.571 CB 1.086 15 residues pruned to eliminate duplicates Z: 8 11.025 1.629 0.499 0.865 1.000 0.571 CB 1.249 8 residues pruned to eliminate duplicates Z: 22 8.443 1.662 0.330 0.469 0.857 0.333 CB 1.003 22 residues pruned to eliminate duplicates Z: 19 10.219 1.713 0.400 0.573 1.000 0.556 CB 0.936 13 residues pruned to eliminate duplicates Z: 15 12.182 1.656 0.497 0.761 0.929 0.643 CB 1.122 15 residues pruned to eliminate duplicates Z: 14 13.540 1.755 0.518 0.746 0.923 0.846 CB 1.225 14 residues pruned to eliminate duplicates Z: 15 11.836 1.825 0.437 0.678 1.000 0.929 CB 1.024 17 residues pruned to eliminate duplicates Z: 6 4.831 1.604 0.281 0.391 1.000 0.600 N 1.179 7 residues pruned to eliminate duplicates Z: 13 18.282 1.806 0.866 0.722 0.917 0.667 N 1.398 13 residues pruned to eliminate duplicates Z: 23 18.294 1.947 0.844 0.511 0.864 0.545 CB 1.244 22 residues pruned to eliminate duplicates Z: 12 11.985 1.832 0.711 0.665 0.818 0.545 CB 1.210 12 residues pruned to eliminate duplicates Z: 15 15.906 1.962 0.690 0.629 0.929 0.786 CB 1.224 15 residues pruned to eliminate duplicates Z: 18 18.694 1.921 0.684 0.657 1.000 0.706 CB 1.211 18 residues pruned to eliminate duplicates Z: 16 16.414 1.901 0.640 0.653 1.000 0.733 CB 1.179 16 residues pruned to eliminate duplicates Z: 19 14.760 1.867 0.712 0.566 0.889 0.611 CB 1.149 19 residues pruned to eliminate duplicates Z: 21 18.026 1.911 0.583 0.518 0.950 0.500 CB 1.377 22 residues pruned to eliminate duplicates Z: 11 22.651 1.969 0.741 0.825 1.000 0.500 CA 1.577 11 residues pruned to eliminate duplicates Z: 20 15.640 1.869 0.839 0.557 0.789 0.526 CB 1.251 20 residues pruned to eliminate duplicates Z: 20 17.168 1.896 0.923 0.527 0.895 0.526 CB 1.176 20 residues pruned to eliminate duplicates Z: 18 18.112 1.924 0.597 0.626 0.941 0.647 CB 1.349 18 residues pruned to eliminate duplicates Z: 22 19.816 1.929 0.809 0.515 0.905 0.476 CB 1.350 21 residues pruned to eliminate duplicates Z: 6 4.773 1.345 0.677 0.470 1.000 0.800 CA 0.975 6 residues pruned to eliminate duplicates Z: 18 19.258 1.948 0.880 0.585 0.941 0.588 CB 1.249 19 residues pruned to eliminate duplicates Z: 8 5.519 1.616 0.294 0.886 1.000 1.000 CB 0.720 8 residues pruned to eliminate duplicates Z: 7 3.599 1.664 0.069 0.654 0.833 0.500 CB 0.859 7 residues pruned to eliminate duplicates Z: 14 6.548 1.566 0.534 0.513 0.692 0.462 CB 1.078 12 residues pruned to eliminate duplicates Z: 16 9.802 1.538 0.614 0.887 1.000 0.867 CB 0.735 19 residues pruned to eliminate duplicates Z: 13 10.358 1.705 0.565 0.840 1.000 0.833 CB 0.837 12 residues pruned to eliminate duplicates Z: 14 12.630 1.674 0.538 0.869 1.000 0.692 CB 0.993 13 residues pruned to eliminate duplicates Z: 12 8.290 1.600 0.727 0.767 0.909 0.455 CB 0.785 12 residues pruned to eliminate duplicates Z: 21 8.633 1.578 0.413 0.596 0.900 0.300 CB 0.878 21 residues pruned to eliminate duplicates Z: 14 7.220 1.578 0.373 0.584 0.769 0.538 CB 1.109 14 residues pruned to eliminate duplicates Z: 11 6.283 1.613 0.343 0.650 0.900 0.800 CB 0.886 11 residues pruned to eliminate duplicates Z: 16 11.560 1.654 0.656 0.743 0.933 0.600 CB 0.939 16 residues pruned to eliminate duplicates Z: 22 7.779 1.567 0.439 0.441 0.857 0.333 CB 0.933 22 residues pruned to eliminate duplicates Z: 15 8.973 1.652 0.443 0.803 0.857 0.571 CB 0.900 15 residues pruned to eliminate duplicates Z: 17 10.711 1.604 0.447 0.880 0.938 0.688 CB 0.892 17 residues pruned to eliminate duplicates Z: 17 5.545 1.278 0.555 0.724 0.938 0.562 CB 0.608 9 residues pruned to eliminate duplicates Z: 17 10.437 1.573 0.734 0.853 0.938 0.625 CB 0.753 17 residues pruned to eliminate duplicates Z: 19 10.088 1.609 0.206 0.608 0.889 0.444 CB 1.244 17 residues pruned to eliminate duplicates Z: 12 9.587 1.779 0.099 0.781 1.000 0.636 CB 1.154 12 residues pruned to eliminate duplicates Z: 13 10.596 1.736 0.061 0.760 1.000 0.833 CB 1.318 12 residues pruned to eliminate duplicates Z: 10 11.476 1.850 0.181 0.931 1.000 1.000 CB 1.223 10 residues pruned to eliminate duplicates Z: 15 13.632 1.740 0.432 0.644 1.000 0.643 CB 1.277 15 residues pruned to eliminate duplicates Z: 12 11.357 1.670 0.498 0.755 1.000 0.636 CB 1.091 12 residues pruned to eliminate duplicates Z: 13 14.158 1.776 0.480 0.686 1.000 0.667 CB 1.310 13 residues pruned to eliminate duplicates Z: 14 13.488 1.715 0.293 0.780 1.000 0.769 CB 1.318 14 residues pruned to eliminate duplicates Z: 14 15.352 1.726 0.406 0.819 1.000 0.769 CB 1.330 14 residues pruned to eliminate duplicates Z: 11 11.124 1.809 0.104 0.912 1.000 1.000 CB 1.248 11 residues pruned to eliminate duplicates Z: 13 12.634 1.771 0.278 0.735 1.000 0.833 CB 1.306 13 residues pruned to eliminate duplicates Z: 11 12.268 1.841 0.369 0.807 1.000 0.800 CB 1.177 11 residues pruned to eliminate duplicates Z: 9 3.247 1.428 0.330 0.375 0.625 0.375 N 1.106 9 residues pruned to eliminate duplicates Z: 8 4.897 1.558 0.455 0.451 0.714 0.143 CB 1.202 6 residues pruned to eliminate duplicates Z: 11 8.520 1.558 0.203 0.798 1.000 0.500 CB 1.108 11 residues pruned to eliminate duplicates Z: 7 7.415 1.677 0.136 0.684 1.000 1.000 N 1.341 7 residues pruned to eliminate duplicates Z: 13 5.520 1.514 0.353 0.528 0.750 0.500 CB 1.009 9 residues pruned to eliminate duplicates Z: 10 10.932 1.590 0.337 0.792 1.000 0.667 CB 1.326 10 residues pruned to eliminate duplicates Z: 10 7.242 1.602 0.075 0.730 1.000 0.889 CB 1.139 10 residues pruned to eliminate duplicates Z: 15 7.672 1.542 0.323 0.681 0.929 0.857 CB 0.916 15 residues pruned to eliminate duplicates Z: 13 8.145 1.529 0.495 0.709 0.917 0.917 CB 0.928 13 residues pruned to eliminate duplicates Z: 9 7.965 1.605 0.603 0.806 1.000 0.750 CB 0.838 9 residues pruned to eliminate duplicates Z: 13 7.476 1.527 0.343 0.636 0.917 0.833 CB 1.010 13 residues pruned to eliminate duplicates Z: 12 9.906 1.572 0.429 0.661 1.000 0.727 N 1.146 8 residues pruned to eliminate duplicates Z: 10 10.554 1.460 0.727 0.804 1.000 0.667 CB 1.070 9 residues pruned to eliminate duplicates Z: 10 10.471 1.531 0.510 0.846 1.000 0.667 CB 1.122 10 residues pruned to eliminate duplicates Z: 11 10.482 1.569 0.530 0.779 1.000 0.800 CB 1.080 12 residues pruned to eliminate duplicates Z: 14 21.005 1.925 0.677 0.826 1.000 0.692 CB 1.361 14 residues pruned to eliminate duplicates Z: 12 23.115 1.996 0.786 0.867 0.909 0.818 CB 1.573 14 residues pruned to eliminate duplicates Z: 13 24.960 1.900 0.843 0.857 1.000 0.917 CA 1.517 20 residues pruned to eliminate duplicates Z: 13 25.265 1.903 0.806 0.834 1.000 0.750 CA 1.592 13 residues pruned to eliminate duplicates Z: 11 21.388 2.047 0.586 0.879 1.000 0.900 CB 1.511 11 residues pruned to eliminate duplicates Z: 17 15.851 1.836 0.863 0.657 0.812 0.688 CB 1.232 17 residues pruned to eliminate duplicates Z: 20 16.160 1.823 0.783 0.598 0.895 0.579 CB 1.161 20 residues pruned to eliminate duplicates Z: 15 21.685 1.925 0.916 0.782 0.929 0.714 CB 1.319 14 residues pruned to eliminate duplicates Z: 12 22.180 1.953 1.039 0.815 0.909 0.545 CB 1.405 12 residues pruned to eliminate duplicates Z: 18 15.563 1.878 0.553 0.606 0.882 0.588 CB 1.327 18 residues pruned to eliminate duplicates Z: 14 19.571 1.921 0.934 0.734 0.923 0.692 CB 1.282 14 residues pruned to eliminate duplicates Z: 17 13.854 1.848 0.648 0.727 0.875 0.562 CB 1.059 17 residues pruned to eliminate duplicates Z: 20 14.676 1.860 0.688 0.601 0.895 0.737 CB 1.088 20 residues pruned to eliminate duplicates Z: 19 13.114 1.845 0.703 0.634 0.944 0.722 CB 0.919 19 residues pruned to eliminate duplicates Z: 23 15.938 1.816 0.649 0.570 0.864 0.591 CB 1.228 23 residues pruned to eliminate duplicates Z: 22 15.872 1.775 0.671 0.569 0.905 0.619 CB 1.207 22 residues pruned to eliminate duplicates Z: 6 4.448 1.644 0.443 0.348 0.800 0.400 N 1.236 Z: 13 6.852 1.375 0.393 0.846 1.000 0.833 CB 0.767 13 residues pruned to eliminate duplicates Z: 12 3.657 1.371 0.249 0.569 0.636 0.455 CB 0.946 12 residues pruned to eliminate duplicates Z: 11 4.957 1.460 0.087 0.694 0.800 0.700 CB 1.034 11 residues pruned to eliminate duplicates Z: 17 7.593 1.448 0.495 0.606 0.812 0.438 CB 0.976 17 residues pruned to eliminate duplicates Z: 11 10.309 1.503 0.720 0.736 0.900 0.700 CB 1.133 13 residues pruned to eliminate duplicates Z: 13 10.320 1.517 0.722 0.833 0.833 0.583 CB 1.027 11 residues pruned to eliminate duplicates Z: 13 12.483 1.505 0.717 0.893 1.000 0.667 CB 1.001 13 residues pruned to eliminate duplicates Z: 14 10.373 1.398 0.647 0.873 0.923 0.846 CB 0.986 14 residues pruned to eliminate duplicates Z: 8 8.576 1.512 0.702 0.673 1.000 0.857 CB 1.074 8 residues pruned to eliminate duplicates Z: 10 5.780 1.675 0.677 0.415 0.889 0.556 CB 0.843 7 residues pruned to eliminate duplicates Z: 7 3.597 1.233 0.654 0.400 1.000 0.500 N 0.800 6 residues pruned to eliminate duplicates Z: 8 5.349 1.412 0.204 0.855 1.000 0.857 O 0.878 Z: 7 4.195 1.437 0.205 0.795 0.833 0.667 O 0.916 7 residues pruned to eliminate duplicates Z: 6 3.940 1.529 0.064 0.792 0.800 0.600 O 1.048 6 residues pruned to eliminate duplicates Z: 6 5.340 1.539 0.055 0.779 1.000 0.600 CB 1.151 6 residues pruned to eliminate duplicates Z: 9 2.678 1.585 0.064 0.406 0.750 0.500 CB 0.826 Z: 6 2.185 1.251 0.233 0.362 1.000 0.400 CA 0.735 6 residues pruned to eliminate duplicates Z: 13 5.929 1.596 0.345 0.545 0.833 0.333 CB 0.916 14 residues pruned to eliminate duplicates Z: 7 3.959 1.474 0.550 0.839 1.000 0.500 CB 0.528 7 residues pruned to eliminate duplicates Z: 9 4.315 1.667 0.182 0.506 0.875 0.375 CB 0.880 9 residues pruned to eliminate duplicates Z: 7 5.107 1.430 0.169 0.665 1.000 0.500 CB 1.070 7 residues pruned to eliminate duplicates Z: 15 4.195 1.588 0.117 0.377 0.786 0.500 CB 0.917 15 residues pruned to eliminate duplicates Z: 10 4.615 1.583 0.202 0.582 0.889 0.556 CB 0.841 10 residues pruned to eliminate duplicates Z: 6 6.185 1.559 0.497 0.833 1.000 0.800 CB 0.889 6 residues pruned to eliminate duplicates Z: 6 6.230 1.584 0.471 0.847 1.000 0.800 CB 0.888 6 residues pruned to eliminate duplicates Z: 11 8.300 1.448 0.781 0.763 1.000 0.800 CB 0.806 9 residues pruned to eliminate duplicates Z: 12 10.868 1.466 0.578 0.886 1.000 0.909 CB 1.022 14 residues pruned to eliminate duplicates Z: 11 7.591 1.481 0.601 0.880 0.900 0.800 CB 0.815 11 residues pruned to eliminate duplicates Z: 12 9.013 1.520 0.486 0.823 1.000 0.636 CB 0.910 12 residues pruned to eliminate duplicates Z: 13 13.718 1.588 0.458 0.794 1.000 0.833 O 1.322 13 residues pruned to eliminate duplicates Z: 15 11.238 1.509 0.457 0.861 1.000 0.786 CB 1.003 15 residues pruned to eliminate duplicates Z: 15 14.122 1.614 0.456 0.762 1.000 0.786 CB 1.273 15 residues pruned to eliminate duplicates Z: 15 15.367 1.615 0.484 0.815 1.000 0.857 CB 1.303 15 residues pruned to eliminate duplicates Z: 12 12.545 1.636 0.550 0.713 0.909 0.727 N 1.352 12 residues pruned to eliminate duplicates Z: 14 15.861 1.630 0.514 0.882 1.000 0.769 N 1.290 14 residues pruned to eliminate duplicates Z: 14 16.407 1.596 0.593 0.860 1.000 0.692 CB 1.316 14 residues pruned to eliminate duplicates Z: 13 13.119 1.681 0.691 0.796 0.833 0.500 N 1.233 13 residues pruned to eliminate duplicates Z: 16 10.383 1.584 0.643 0.611 0.867 0.267 N 1.069 16 residues pruned to eliminate duplicates Z: 14 8.109 1.614 0.604 0.643 0.769 0.308 N 0.988 14 residues pruned to eliminate duplicates Z: 11 11.435 1.688 0.685 0.783 0.900 0.400 CB 1.101 11 residues pruned to eliminate duplicates Z: 13 13.359 1.644 0.780 0.732 1.000 0.500 N 1.070 13 residues pruned to eliminate duplicates Z: 18 11.320 1.621 0.708 0.874 0.882 0.529 CB 0.818 18 residues pruned to eliminate duplicates Z: 20 15.990 1.613 0.708 0.861 0.895 0.368 CB 1.094 21 residues pruned to eliminate duplicates Z: 8 7.896 1.736 0.697 0.888 1.000 0.857 CB 0.730 8 residues pruned to eliminate duplicates Z: 7 8.920 1.796 0.511 0.774 1.000 0.833 CB 1.053 7 residues pruned to eliminate duplicates Z: 20 12.390 1.570 0.520 0.640 0.947 0.789 CB 1.103 20 residues pruned to eliminate duplicates Z: 18 9.685 1.655 0.606 0.688 0.824 0.412 CB 0.903 18 residues pruned to eliminate duplicates Z: 8 11.673 1.744 0.841 0.859 1.000 0.571 CB 1.011 8 residues pruned to eliminate duplicates Z: 6 10.892 1.799 0.785 0.817 1.000 0.800 CB 1.152 6 residues pruned to eliminate duplicates Z: 11 7.971 1.748 0.643 0.577 0.700 0.600 CB 1.164 11 residues pruned to eliminate duplicates Z: 12 12.113 1.816 0.527 0.616 1.000 0.636 CB 1.180 12 residues pruned to eliminate duplicates Z: 15 13.592 1.797 0.788 0.709 1.000 0.857 CB 0.935 18 residues pruned to eliminate duplicates Z: 11 11.345 1.845 0.505 0.816 1.000 0.500 CB 0.982 11 residues pruned to eliminate duplicates Z: 15 8.980 1.680 0.653 0.703 0.857 0.357 CB 0.839 15 residues pruned to eliminate duplicates Z: 7 5.530 1.668 0.397 0.534 0.833 0.500 CB 1.124 7 residues pruned to eliminate duplicates Z: 17 7.592 1.720 0.374 0.483 0.812 0.500 CB 1.006 17 residues pruned to eliminate duplicates Z: 13 11.468 1.786 0.636 0.589 0.833 0.667 CB 1.248 13 residues pruned to eliminate duplicates Z: 14 12.215 1.790 0.460 0.629 1.000 0.538 CB 1.148 14 residues pruned to eliminate duplicates Z: 16 12.595 1.725 0.978 0.586 0.933 0.533 CB 0.940 17 residues pruned to eliminate duplicates Z: 8 3.352 1.339 0.419 0.293 0.857 0.429 N 0.980 6 residues pruned to eliminate duplicates Z: 13 19.798 1.740 1.049 0.776 1.000 0.750 CB 1.256 17 residues pruned to eliminate duplicates Z: 13 18.271 1.635 1.028 0.758 0.917 0.917 N 1.379 13 residues pruned to eliminate duplicates Z: 21 20.618 1.845 0.716 0.590 1.000 0.650 CB 1.337 13 residues pruned to eliminate duplicates Z: 10 14.451 1.739 0.837 0.859 0.778 0.778 CB 1.427 10 residues pruned to eliminate duplicates Z: 20 17.591 1.828 0.769 0.562 0.895 0.579 CB 1.313 20 residues pruned to eliminate duplicates Z: 22 20.070 1.810 0.865 0.554 0.952 0.524 CB 1.293 22 residues pruned to eliminate duplicates Z: 26 17.230 1.762 0.786 0.549 0.920 0.600 CB 1.134 21 residues pruned to eliminate duplicates Z: 11 20.450 1.678 1.035 0.910 0.900 0.800 O 1.493 11 residues pruned to eliminate duplicates Z: 18 17.129 1.847 0.836 0.601 0.765 0.529 CB 1.455 18 residues pruned to eliminate duplicates Z: 20 22.683 1.911 0.834 0.623 0.947 0.684 CB 1.396 23 residues pruned to eliminate duplicates Z: 14 17.177 1.674 0.895 0.674 1.000 0.615 N 1.279 14 residues pruned to eliminate duplicates Z: 23 18.862 1.825 0.685 0.515 0.955 0.455 CB 1.350 23 residues pruned to eliminate duplicates Z: 23 21.655 1.847 0.779 0.571 0.955 0.591 CB 1.374 22 residues pruned to eliminate duplicates Z: 10 7.770 1.545 0.394 0.852 1.000 0.889 CB 0.890 10 residues pruned to eliminate duplicates Z: 9 9.743 1.587 0.300 0.878 1.000 0.875 CB 1.211 9 residues pruned to eliminate duplicates Z: 8 8.630 1.584 0.356 0.872 1.000 0.714 CB 1.107 8 residues pruned to eliminate duplicates Z: 10 5.670 1.496 0.402 0.611 0.778 0.556 CB 1.043 10 residues pruned to eliminate duplicates Z: 6 2.525 1.535 0.507 0.790 0.800 0.800 CB 0.473 6 residues pruned to eliminate duplicates Z: 6 3.770 1.084 0.606 0.824 0.800 0.800 CB 0.914 Z: 14 8.492 1.431 0.483 0.876 0.923 0.462 CB 0.873 16 residues pruned to eliminate duplicates Z: 22 11.874 1.641 0.474 0.916 1.000 0.905 CB 0.757 22 residues pruned to eliminate duplicates Z: 12 6.310 1.566 0.316 0.723 0.818 0.545 CB 0.922 12 residues pruned to eliminate duplicates Z: 21 11.663 1.643 0.395 0.803 0.900 0.800 CB 0.971 21 residues pruned to eliminate duplicates Z: 8 4.818 1.605 0.435 0.759 1.000 0.714 CB 0.628 8 residues pruned to eliminate duplicates Z: 17 12.465 1.693 0.450 0.795 0.875 0.750 CB 1.120 17 residues pruned to eliminate duplicates Z: 15 16.258 1.827 0.477 0.919 1.000 0.929 CB 1.135 15 residues pruned to eliminate duplicates Z: 17 13.845 1.687 0.520 0.849 1.000 0.750 CB 1.001 17 residues pruned to eliminate duplicates Z: 18 17.956 1.728 0.614 0.935 1.000 0.882 CB 1.088 19 residues pruned to eliminate duplicates Z: 20 15.907 1.704 0.560 0.940 1.000 1.000 CB 0.954 20 residues pruned to eliminate duplicates Z: 16 15.385 1.781 0.627 0.854 1.000 0.667 CB 1.013 16 residues pruned to eliminate duplicates Z: 15 9.363 1.713 0.591 0.648 0.929 0.643 CB 0.861 15 residues pruned to eliminate duplicates Z: 19 11.565 1.681 0.479 0.798 0.889 0.722 CB 0.950 19 residues pruned to eliminate duplicates Z: 19 14.738 1.689 0.616 0.883 0.944 0.833 CB 0.974 19 residues pruned to eliminate duplicates Z: 16 13.484 1.798 0.793 0.824 0.933 0.800 CB 0.874 16 residues pruned to eliminate duplicates Z: 12 10.173 1.710 0.688 0.868 0.909 0.818 CB 0.854 12 residues pruned to eliminate duplicates Z: 11 12.130 1.852 0.646 0.918 1.000 0.900 CB 0.887 11 residues pruned to eliminate duplicates Z: 18 14.165 1.734 0.702 0.796 0.941 0.824 CB 0.954 15 residues pruned to eliminate duplicates Z: 25 17.156 1.676 0.679 0.878 0.958 0.833 CB 0.943 24 residues pruned to eliminate duplicates Z: 24 16.666 1.726 0.649 0.909 1.000 0.870 CB 0.866 26 residues pruned to eliminate duplicates Z: 21 13.865 1.754 0.678 0.911 0.950 0.900 CB 0.786 21 residues pruned to eliminate duplicates Z: 17 14.912 1.708 0.858 0.823 1.000 0.812 CB 0.888 17 residues pruned to eliminate duplicates Z: 9 7.051 1.743 0.194 0.417 0.875 0.375 CB 1.493 12 residues pruned to eliminate duplicates Z: 9 11.898 1.767 0.410 0.590 1.000 0.625 N 1.549 9 residues pruned to eliminate duplicates Z: 9 5.379 1.416 0.269 0.494 1.000 0.500 O 1.065 9 residues pruned to eliminate duplicates Z: 11 9.502 1.690 0.287 0.555 1.000 0.500 CB 1.309 9 residues pruned to eliminate duplicates Z: 7 8.819 1.616 0.245 0.706 1.000 0.500 CA 1.484 7 residues pruned to eliminate duplicates Z: 12 7.350 1.673 0.470 0.445 0.818 0.455 CB 1.166 12 residues pruned to eliminate duplicates Z: 13 8.890 1.627 0.486 0.512 0.917 0.583 CB 1.145 13 residues pruned to eliminate duplicates Z: 12 6.676 1.646 0.280 0.479 0.909 0.545 CB 1.074 12 residues pruned to eliminate duplicates Z: 17 8.479 1.609 0.197 0.498 0.875 0.562 CB 1.261 10 residues pruned to eliminate duplicates Z: 11 3.036 1.401 0.001 0.425 0.800 0.700 CB 0.925 14 residues pruned to eliminate duplicates Z: 15 13.141 1.615 0.550 0.848 0.929 0.786 CB 1.120 15 residues pruned to eliminate duplicates Z: 18 13.359 1.718 0.324 0.853 0.941 0.882 CB 1.119 18 residues pruned to eliminate duplicates Z: 12 12.184 1.736 0.395 0.793 0.909 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 13 11.526 1.773 0.350 0.888 1.000 1.000 CB 1.001 13 residues pruned to eliminate duplicates Z: 17 12.820 1.578 0.462 0.903 0.875 0.750 CB 1.132 17 residues pruned to eliminate duplicates Z: 15 9.660 1.588 0.492 0.702 0.857 0.714 CB 1.058 14 residues pruned to eliminate duplicates Z: 18 17.071 1.763 0.604 0.928 1.000 0.765 CB 1.025 18 residues pruned to eliminate duplicates Z: 17 14.089 1.537 0.672 0.777 0.938 0.562 CB 1.145 17 residues pruned to eliminate duplicates Z: 19 14.941 1.721 0.484 0.745 0.889 0.722 CB 1.246 19 residues pruned to eliminate duplicates Z: 22 17.965 1.706 0.675 0.840 1.000 0.714 CB 1.024 23 residues pruned to eliminate duplicates Z: 12 17.644 1.625 1.127 0.849 1.000 0.636 CB 1.141 12 residues pruned to eliminate duplicates Z: 15 16.050 1.757 0.717 0.935 1.000 0.929 CB 0.991 15 residues pruned to eliminate duplicates Z: 18 17.206 1.758 0.604 0.822 0.941 0.706 CB 1.189 18 residues pruned to eliminate duplicates Z: 22 16.905 1.692 0.725 0.806 1.000 0.762 CB 0.968 22 residues pruned to eliminate duplicates Z: 20 15.887 1.721 0.734 0.867 0.947 0.579 CB 0.943 20 residues pruned to eliminate duplicates Z: 16 10.562 1.681 0.862 0.746 0.867 0.600 CB 0.807 16 residues pruned to eliminate duplicates Z: 14 9.845 1.715 0.359 0.788 0.846 0.385 CB 1.074 14 residues pruned to eliminate duplicates Z: 13 13.444 1.771 0.662 0.799 0.917 0.417 CB 1.107 13 residues pruned to eliminate duplicates Z: 6 4.420 1.602 0.156 0.833 0.800 0.800 CB 1.001 6 residues pruned to eliminate duplicates Z: 6 5.415 1.535 0.449 0.674 0.800 0.600 CB 1.160 6 residues pruned to eliminate duplicates Z: 20 10.556 1.642 0.559 0.680 0.842 0.632 CB 0.953 20 residues pruned to eliminate duplicates Z: 11 7.685 1.582 0.400 0.878 1.000 0.800 CB 0.796 11 residues pruned to eliminate duplicates Z: 6 2.630 1.301 0.295 0.637 0.800 0.400 CB 0.768 6 residues pruned to eliminate duplicates 6 1.955 1.295 -0.183 0.474 0.800 0.000 CB 1.060 ? Z: 6 2.698 1.323 0.022 0.622 0.800 0.400 CB 0.995 5 residues pruned to eliminate duplicates Z: 12 8.007 1.495 0.331 0.909 1.000 0.727 CB 0.861 13 residues pruned to eliminate duplicates Z: 12 7.251 1.502 0.414 0.884 1.000 0.727 CB 0.744 12 residues pruned to eliminate duplicates Z: 30 14.672 1.660 0.464 0.584 0.897 0.690 CB 1.153 30 residues pruned to eliminate duplicates Z: 34 14.615 1.631 0.538 0.612 0.879 0.636 CB 1.037 34 residues pruned to eliminate duplicates Z: 15 9.903 1.600 0.664 0.551 0.786 0.500 CB 1.205 15 residues pruned to eliminate duplicates Z: 14 12.878 1.717 0.754 0.689 0.769 0.462 CB 1.297 14 residues pruned to eliminate duplicates Z: 14 13.059 1.643 0.771 0.682 0.923 0.615 N 1.141 14 residues pruned to eliminate duplicates Z: 15 13.562 1.689 0.786 0.627 0.929 0.786 N 1.148 15 residues pruned to eliminate duplicates Z: 11 10.521 1.837 0.717 0.540 1.000 0.400 CB 1.014 11 residues pruned to eliminate duplicates Z: 22 11.080 1.666 0.594 0.518 0.952 0.524 CB 0.939 22 residues pruned to eliminate duplicates Z: 17 11.110 1.611 0.741 0.765 0.938 0.500 CB 0.835 17 residues pruned to eliminate duplicates Z: 40 14.149 1.647 0.504 0.553 1.000 0.667 CB 0.868 42 residues pruned to eliminate duplicates Z: 6 4.932 1.308 0.920 0.461 0.800 0.200 N 1.142 6 residues pruned to eliminate duplicates Z: 12 9.887 1.734 0.195 0.663 1.000 0.545 CB 1.237 12 residues pruned to eliminate duplicates Z: 11 12.714 1.761 0.477 0.584 1.000 0.800 CB 1.426 11 residues pruned to eliminate duplicates Z: 13 9.225 1.687 0.365 0.494 0.917 0.583 CB 1.269 13 residues pruned to eliminate duplicates Z: 15 9.361 1.661 0.325 0.560 0.929 0.429 CB 1.155 15 residues pruned to eliminate duplicates Z: 14 8.475 1.645 0.265 0.486 0.846 0.692 CB 1.354 14 residues pruned to eliminate duplicates Z: 15 10.298 1.640 0.411 0.616 0.929 0.571 CB 1.148 15 residues pruned to eliminate duplicates Z: 15 10.049 1.636 0.466 0.554 0.929 0.643 CB 1.145 15 residues pruned to eliminate duplicates Z: 14 11.450 1.670 0.445 0.586 1.000 0.692 CB 1.213 14 residues pruned to eliminate duplicates Z: 21 8.927 1.633 0.211 0.548 0.950 0.750 CB 1.014 21 residues pruned to eliminate duplicates Z: 14 7.877 1.635 0.220 0.610 1.000 0.692 CB 0.986 14 residues pruned to eliminate duplicates Z: 7 6.131 1.627 0.461 0.560 1.000 0.667 CB 0.993 7 residues pruned to eliminate duplicates Z: 8 4.795 1.654 0.419 0.691 0.857 0.714 CB 0.757 8 residues pruned to eliminate duplicates Z: 7 6.906 1.613 0.539 0.644 1.000 0.500 CB 0.993 7 residues pruned to eliminate duplicates Z: 7 4.992 1.572 0.205 0.657 0.833 0.833 CB 1.115 7 residues pruned to eliminate duplicates Z: 9 5.153 1.658 0.187 0.493 1.000 0.625 CB 0.932 9 residues pruned to eliminate duplicates Z: 8 6.004 1.613 0.361 0.713 1.000 0.857 CB 0.852 6 residues pruned to eliminate duplicates Z: 7 7.484 1.532 0.523 0.812 1.000 0.833 CB 0.998 7 residues pruned to eliminate duplicates Z: 9 5.553 1.498 0.399 0.674 0.875 0.375 CB 0.912 9 residues pruned to eliminate duplicates Z: 10 5.529 1.455 0.530 0.579 1.000 0.111 CB 0.768 10 residues pruned to eliminate duplicates Z: 10 5.455 1.436 0.912 0.650 0.778 0.333 CB 0.741 10 residues pruned to eliminate duplicates Z: 12 4.515 1.397 0.937 0.589 0.818 0.091 CB 0.565 12 residues pruned to eliminate duplicates Z: 8 3.489 1.574 0.288 0.394 0.857 0.429 CB 0.849 7 residues pruned to eliminate duplicates Z: 14 11.915 1.681 0.497 0.637 0.846 0.462 CB 1.366 14 residues pruned to eliminate duplicates Z: 14 10.522 1.858 0.485 0.631 0.769 0.538 CB 1.215 13 residues pruned to eliminate duplicates Z: 13 11.764 1.640 0.456 0.762 0.917 0.500 CB 1.229 13 residues pruned to eliminate duplicates Z: 16 13.735 1.781 0.554 0.663 0.867 0.600 CB 1.271 21 residues pruned to eliminate duplicates Z: 12 16.002 1.749 0.623 0.876 0.909 0.818 CB 1.359 12 residues pruned to eliminate duplicates Z: 30 13.344 1.714 0.511 0.522 0.793 0.483 CB 1.181 30 residues pruned to eliminate duplicates Z: 14 11.104 1.836 0.325 0.697 0.923 0.692 CB 1.146 14 residues pruned to eliminate duplicates Z: 15 11.503 1.697 0.576 0.547 0.857 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 12 11.536 1.882 0.008 0.771 0.909 0.727 CA 1.586 12 residues pruned to eliminate duplicates Z: 13 8.793 1.816 0.191 0.669 0.750 0.750 CB 1.338 13 residues pruned to eliminate duplicates Z: 18 12.584 1.714 0.383 0.626 0.941 0.588 CB 1.215 18 residues pruned to eliminate duplicates Z: 6 3.658 1.709 0.989 0.669 0.800 0.800 CB 0.515 6 residues pruned to eliminate duplicates Z: 7 4.632 1.486 0.536 0.503 1.000 0.833 CA 0.827 7 residues pruned to eliminate duplicates Z: 11 15.045 1.729 0.695 0.912 1.000 0.700 CB 1.150 10 residues pruned to eliminate duplicates Z: 10 12.314 1.764 0.543 0.881 1.000 0.889 CB 1.092 10 residues pruned to eliminate duplicates Z: 18 9.048 1.695 0.334 0.598 0.882 0.706 CB 1.002 13 residues pruned to eliminate duplicates Z: 12 14.372 1.716 0.577 0.876 1.000 0.636 CB 1.165 16 residues pruned to eliminate duplicates Z: 11 14.764 1.734 0.524 0.882 1.000 0.800 CB 1.278 12 residues pruned to eliminate duplicates Z: 11 13.373 1.706 0.744 0.885 0.900 0.800 CB 1.141 11 residues pruned to eliminate duplicates Z: 17 7.553 1.651 0.391 0.668 0.875 0.625 CB 0.804 15 residues pruned to eliminate duplicates Z: 11 15.764 1.649 0.870 0.922 1.000 0.800 CB 1.137 13 residues pruned to eliminate duplicates Z: 11 9.603 1.629 0.923 0.854 0.700 0.500 CB 1.022 11 residues pruned to eliminate duplicates Z: 12 7.827 1.570 0.793 0.363 0.818 0.273 CB 1.188 12 residues pruned to eliminate duplicates Z: 20 6.240 1.547 0.450 0.527 0.789 0.632 CB 0.787 15 residues pruned to eliminate duplicates Z: 8 6.354 1.446 0.309 0.659 1.000 0.429 N 1.096 10 residues pruned to eliminate duplicates Z: 8 5.502 1.382 0.283 0.698 0.857 0.286 N 1.143 8 residues pruned to eliminate duplicates Z: 15 4.727 1.557 0.316 0.468 0.786 0.214 CB 0.811 14 residues pruned to eliminate duplicates Z: 9 5.978 1.483 0.038 0.655 1.000 0.500 CB 1.187 11 residues pruned to eliminate duplicates Z: 12 10.266 1.690 0.042 0.907 1.000 0.909 CB 1.250 12 residues pruned to eliminate duplicates Z: 13 9.659 1.597 0.227 0.910 1.000 0.917 CB 1.009 13 residues pruned to eliminate duplicates Z: 18 10.997 1.619 0.269 0.707 1.000 0.706 CB 1.076 17 residues pruned to eliminate duplicates Z: 14 16.212 1.643 0.581 0.894 1.000 0.923 CB 1.242 14 residues pruned to eliminate duplicates Z: 13 12.141 1.659 0.337 0.868 1.000 0.917 CB 1.154 13 residues pruned to eliminate duplicates Z: 23 12.244 1.583 0.501 0.744 0.909 0.727 CB 0.971 26 residues pruned to eliminate duplicates Z: 12 9.092 1.610 0.528 0.838 1.000 0.636 CB 0.833 12 residues pruned to eliminate duplicates Z: 13 7.597 1.588 0.479 0.526 0.833 0.583 N 1.092 13 residues pruned to eliminate duplicates Z: 9 12.948 1.713 0.886 0.895 1.000 0.375 CB 1.016 9 residues pruned to eliminate duplicates Z: 12 12.267 1.743 0.728 0.657 0.909 0.364 CB 1.168 12 residues pruned to eliminate duplicates Z: 14 14.002 1.645 0.561 0.706 1.000 0.769 CB 1.254 14 residues pruned to eliminate duplicates Z: 16 10.024 1.613 0.441 0.595 0.800 0.600 CB 1.271 16 residues pruned to eliminate duplicates Z: 16 9.633 1.682 0.517 0.593 0.867 0.667 CB 1.029 16 residues pruned to eliminate duplicates 6 0.886 1.211 0.360 0.222 0.400 0.400 N 0.833 ? 9 1.466 1.550 0.242 0.171 0.375 0.375 CB 1.069 ? Z: 16 7.158 1.616 0.186 0.540 0.867 0.600 CB 1.070 23 residues pruned to eliminate duplicates Z: 8 3.995 1.115 0.963 0.506 0.857 0.714 N 0.801 8 residues pruned to eliminate duplicates Z: 19 8.584 1.585 0.295 0.497 0.889 0.556 CB 1.112 19 residues pruned to eliminate duplicates Z: 8 3.407 1.306 0.556 0.299 0.857 0.429 CB 0.925 8 residues pruned to eliminate duplicates Z: 13 8.239 1.699 0.187 0.648 0.917 0.667 CB 1.122 13 residues pruned to eliminate duplicates Z: 15 8.668 1.708 0.209 0.622 0.929 0.357 CB 1.077 15 residues pruned to eliminate duplicates Z: 13 6.401 1.732 0.184 0.517 0.750 0.500 CB 1.181 13 residues pruned to eliminate duplicates Z: 10 5.639 1.725 0.161 0.479 0.778 0.111 CB 1.234 10 residues pruned to eliminate duplicates Z: 10 4.342 1.642 0.197 0.314 0.778 0.333 CB 1.164 10 residues pruned to eliminate duplicates Z: 19 8.071 1.643 0.169 0.457 0.889 0.444 CB 1.164 19 residues pruned to eliminate duplicates Z: 9 4.916 1.551 0.065 0.526 1.000 0.625 CB 1.026 9 residues pruned to eliminate duplicates Z: 8 4.583 1.636 0.062 0.504 0.857 0.429 CB 1.160 8 residues pruned to eliminate duplicates Z: 10 16.749 1.817 0.742 0.740 1.000 0.778 CA 1.422 13 residues pruned to eliminate duplicates Z: 13 13.724 1.689 0.650 0.858 1.000 0.750 CB 1.047 13 residues pruned to eliminate duplicates Z: 15 13.570 1.751 0.817 0.623 0.857 0.643 CB 1.184 15 residues pruned to eliminate duplicates Z: 13 13.088 1.720 0.697 0.785 0.917 0.583 CB 1.099 13 residues pruned to eliminate duplicates Z: 10 16.642 1.851 0.851 0.789 0.889 0.889 CB 1.413 10 residues pruned to eliminate duplicates Z: 18 12.164 1.665 0.649 0.694 0.882 0.765 CB 1.020 16 residues pruned to eliminate duplicates Z: 14 15.530 1.658 0.795 0.850 0.923 0.846 CB 1.162 14 residues pruned to eliminate duplicates Z: 18 13.594 1.731 0.666 0.661 0.882 0.529 CB 1.116 18 residues pruned to eliminate duplicates Z: 11 16.343 1.844 0.643 0.828 0.900 0.900 CB 1.427 11 residues pruned to eliminate duplicates Z: 8 5.924 1.791 0.332 0.528 0.857 0.429 CB 1.066 8 residues pruned to eliminate duplicates Z: 16 14.887 1.715 0.969 0.611 0.800 0.400 CB 1.281 16 residues pruned to eliminate duplicates Z: 29 22.004 1.788 0.599 0.730 0.964 0.500 CB 1.226 35 residues pruned to eliminate duplicates Z: 6 2.310 1.085 0.921 0.335 1.000 0.600 CB 0.594 6 residues pruned to eliminate duplicates Z: 18 14.627 1.720 0.682 0.589 0.882 0.765 CB 1.276 18 residues pruned to eliminate duplicates Z: 13 10.236 1.700 0.522 0.618 0.833 0.667 CB 1.226 13 residues pruned to eliminate duplicates Z: 12 9.438 1.706 0.351 0.608 0.818 0.455 CB 1.362 12 residues pruned to eliminate duplicates Z: 20 10.444 1.642 0.344 0.493 0.842 0.368 N 1.298 24 residues pruned to eliminate duplicates Z: 14 16.704 1.746 0.410 0.884 1.000 1.000 CB 1.361 14 residues pruned to eliminate duplicates Z: 11 11.652 1.778 0.319 0.662 0.900 0.800 CB 1.502 11 residues pruned to eliminate duplicates Z: 11 10.017 1.769 0.290 0.730 0.800 0.700 N 1.411 11 residues pruned to eliminate duplicates Z: 12 9.292 1.693 0.169 0.684 0.818 0.545 N 1.461 12 residues pruned to eliminate duplicates Z: 12 11.089 1.770 0.200 0.730 0.818 0.727 N 1.565 12 residues pruned to eliminate duplicates Z: 16 12.117 1.660 0.275 0.752 0.933 0.733 CB 1.265 16 residues pruned to eliminate duplicates Z: 17 13.913 1.742 0.399 0.705 0.938 0.750 N 1.263 17 residues pruned to eliminate duplicates Z: 16 12.714 1.723 0.317 0.682 0.933 0.600 N 1.312 16 residues pruned to eliminate duplicates Z: 14 14.950 1.758 0.153 0.891 1.000 0.923 CB 1.471 14 residues pruned to eliminate duplicates Z: 22 13.633 1.603 0.376 0.742 0.857 0.667 N 1.268 22 residues pruned to eliminate duplicates Z: 25 14.932 1.636 0.601 0.650 0.917 0.583 CB 1.103 25 residues pruned to eliminate duplicates Z: 24 16.317 1.632 0.648 0.702 0.826 0.696 CB 1.274 24 residues pruned to eliminate duplicates Z: 24 14.261 1.652 0.481 0.619 0.913 0.565 N 1.190 24 residues pruned to eliminate duplicates Z: 20 15.982 1.613 0.651 0.739 0.895 0.632 N 1.242 20 residues pruned to eliminate duplicates Z: 9 6.370 1.608 0.423 0.626 0.625 0.625 CB 1.398 9 residues pruned to eliminate duplicates Z: 8 11.148 1.632 0.638 0.858 1.000 0.571 N 1.161 8 residues pruned to eliminate duplicates Z: 11 6.192 1.456 0.689 0.646 0.800 0.500 N 0.868 11 residues pruned to eliminate duplicates Z: 16 16.092 1.609 0.710 0.813 0.933 0.867 N 1.232 16 residues pruned to eliminate duplicates Z: 16 17.485 1.664 0.566 0.866 1.000 1.000 CB 1.268 16 residues pruned to eliminate duplicates Z: 14 9.995 1.538 0.627 0.587 0.846 0.385 CB 1.204 14 residues pruned to eliminate duplicates Z: 12 12.610 1.604 0.571 0.712 1.000 0.545 CB 1.245 12 residues pruned to eliminate duplicates Z: 16 10.730 1.605 0.573 0.694 0.867 0.600 CB 1.060 16 residues pruned to eliminate duplicates Z: 11 8.912 1.621 0.621 0.681 0.800 0.700 CB 1.136 11 residues pruned to eliminate duplicates Z: 10 8.791 1.613 0.735 0.711 0.889 0.556 CB 0.973 10 residues pruned to eliminate duplicates Z: 17 13.293 1.593 0.588 0.750 0.875 0.688 CB 1.201 17 residues pruned to eliminate duplicates Z: 15 10.216 1.532 0.645 0.891 0.857 0.643 CB 0.908 15 residues pruned to eliminate duplicates Z: 16 11.793 1.623 0.522 0.886 0.933 0.667 CB 0.953 16 residues pruned to eliminate duplicates Z: 12 8.975 1.444 0.652 0.800 1.000 0.727 CB 0.873 12 residues pruned to eliminate duplicates Z: 6 4.766 1.584 0.127 0.889 1.000 1.000 CB 0.859 6 residues pruned to eliminate duplicates Z: 17 10.396 1.611 0.465 0.877 0.938 0.750 CB 0.853 17 residues pruned to eliminate duplicates Z: 7 5.466 1.586 0.283 0.785 1.000 0.667 CB 0.853 7 residues pruned to eliminate duplicates Z: 17 12.579 1.631 0.741 0.899 0.938 0.812 CB 0.845 17 residues pruned to eliminate duplicates Z: 18 13.200 1.608 0.674 0.915 1.000 0.706 CB 0.840 18 residues pruned to eliminate duplicates Z: 22 9.055 1.407 0.740 0.602 0.857 0.619 CB 0.855 22 residues pruned to eliminate duplicates Z: 22 13.970 1.558 0.614 0.816 0.905 0.571 CB 1.018 22 residues pruned to eliminate duplicates Z: 19 7.032 1.532 0.314 0.368 0.833 0.556 CB 1.138 11 residues pruned to eliminate duplicates Z: 15 14.418 1.679 0.433 0.766 0.929 0.429 N 1.363 40 residues pruned to eliminate duplicates Z: 16 16.102 1.705 0.502 0.770 0.933 0.667 CB 1.369 16 residues pruned to eliminate duplicates Z: 18 16.888 1.740 0.601 0.693 0.882 0.706 CB 1.397 16 residues pruned to eliminate duplicates Z: 13 15.214 1.647 0.376 0.858 1.000 0.833 N 1.428 13 residues pruned to eliminate duplicates Z: 16 18.040 1.715 0.688 0.715 0.933 0.800 N 1.418 15 residues pruned to eliminate duplicates Z: 15 16.272 1.543 0.731 0.847 0.929 0.857 O 1.301 15 residues pruned to eliminate duplicates Z: 16 22.055 1.763 0.808 0.697 1.000 0.800 CB 1.492 16 residues pruned to eliminate duplicates Z: 11 18.004 1.844 0.559 0.903 0.900 0.900 CB 1.569 11 residues pruned to eliminate duplicates Z: 23 14.907 1.666 0.513 0.627 0.818 0.682 CB 1.367 23 residues pruned to eliminate duplicates Z: 15 17.746 1.754 0.788 0.718 0.857 0.714 CB 1.449 13 residues pruned to eliminate duplicates Z: 13 23.133 1.752 0.857 0.886 1.000 0.833 N 1.481 15 residues pruned to eliminate duplicates Z: 13 23.143 1.771 0.915 0.823 1.000 0.500 N 1.489 13 residues pruned to eliminate duplicates Z: 16 15.435 1.596 0.722 0.752 0.867 0.733 CB 1.336 16 residues pruned to eliminate duplicates Z: 14 17.280 1.787 0.708 0.762 0.923 0.769 N 1.348 14 residues pruned to eliminate duplicates Z: 6 3.081 1.857 -0.250 0.397 0.800 0.600 CB 1.378 6 residues pruned to eliminate duplicates Z: 8 4.051 1.700 0.200 0.354 0.857 0.429 CB 1.025 11 residues pruned to eliminate duplicates Z: 6 4.643 1.398 0.806 0.305 1.000 0.200 N 1.022 4 residues pruned to eliminate duplicates 1086 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 7 D: 9 E: 6 F: 6 G: 9 H: 12 I: 11 J: 10 K: 7 L: 14 M: 32 N: 36 O: 30 P: 29 Q: 44 R: 19 S: 19 T: 27 U: 12 V: 19 W: 15 X: 7 Y: 21 Z: 19 Z: 14 Z: 6 Z: 43 Z: 8 Z: 6 Z: 21 Z: 27 Z: 15 Z: 14 Z: 12 Z: 6 Z: 8 Z: 13 Z: 20 Z: 23 Z: 25 Z: 31 Z: 26 Z: 45 Z: 51 Z: 16 Z: 8 Z: 38 Z: 13 Z: 29 Z: 36 Z: 16 Z: 8 Z: 6 Z: 12 Z: 11 Z: 15 Z: 16 Z: 14 CC for partial structure against native data = 33.78 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.396, Connect. = 0.661 for dens.mod. cycle 1 = 0.300, Contrast = 0.459, Connect. = 0.687 for dens.mod. cycle 2 = 0.300, Contrast = 0.537, Connect. = 0.718 for dens.mod. cycle 3 = 0.300, Contrast = 0.546, Connect. = 0.720 for dens.mod. cycle 4 = 0.300, Contrast = 0.555, Connect. = 0.724 for dens.mod. cycle 5 = 0.300, Contrast = 0.560, Connect. = 0.726 for dens.mod. cycle 6 = 0.300, Contrast = 0.565, Connect. = 0.729 for dens.mod. cycle 7 = 0.300, Contrast = 0.568, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.570, Connect. = 0.732 for dens.mod. cycle 9 = 0.300, Contrast = 0.571, Connect. = 0.733 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4727 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1161 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 21.414 1.857 0.701 0.875 1.000 0.727 CA 1.487 B: 13 9.741 1.712 0.767 0.809 0.833 0.500 N 0.852 C: 13 16.234 1.805 0.618 0.845 0.833 0.750 CA 1.431 12 residues pruned to eliminate duplicates D: 14 21.036 1.779 0.882 0.865 1.000 0.769 CB 1.276 E: 12 17.191 1.631 0.912 0.862 0.909 0.636 N 1.343 F: 26 16.222 1.856 0.441 0.538 0.880 0.600 CB 1.328 18 residues pruned to eliminate duplicates 6 1.402 1.768 0.307 0.280 0.400 0.400 CB 0.870 ? G: 14 13.211 1.784 0.506 0.858 1.000 0.769 CB 1.004 H: 12 17.522 1.853 0.664 0.888 1.000 0.636 CB 1.234 I: 13 15.739 1.682 0.439 0.851 1.000 0.750 CA 1.390 J: 9 13.092 2.037 0.404 0.859 0.875 0.625 CB 1.361 K: 16 17.312 1.837 0.511 0.900 0.933 0.867 CB 1.232 L: 10 14.327 1.817 0.503 0.850 1.000 0.889 CB 1.295 10 residues pruned to eliminate duplicates M: 25 23.552 1.714 0.770 0.929 1.000 0.958 CB 1.109 N: 6 2.510 1.536 0.596 0.300 0.600 0.600 CB 0.954 O: 12 13.706 1.768 0.184 0.855 1.000 0.818 N 1.457 P: 12 13.146 1.727 0.507 0.772 0.909 0.727 CB 1.317 Q: 12 13.762 1.842 0.224 0.888 1.000 0.818 CB 1.327 12 residues pruned to eliminate duplicates R: 7 7.672 1.820 0.414 0.833 1.000 0.500 CB 0.913 S: 19 17.736 1.815 0.638 0.682 0.944 0.722 CB 1.259 T: 25 23.680 1.732 0.522 0.930 1.000 0.917 CB 1.282 24 residues pruned to eliminate duplicates U: 12 16.181 1.770 0.603 0.851 1.000 0.909 CB 1.273 V: 8 11.594 1.605 0.887 0.835 1.000 0.714 CB 1.083 8 residues pruned to eliminate duplicates W: 13 22.394 1.764 1.143 0.844 1.000 0.833 CB 1.272 22 residues pruned to eliminate duplicates X: 13 14.705 1.703 0.622 0.829 1.000 0.750 CB 1.156 Y: 23 19.552 1.602 0.732 0.898 0.909 0.591 CB 1.181 23 residues pruned to eliminate duplicates Z: 28 10.890 1.795 0.540 0.285 0.778 0.519 CB 1.242 Z: 12 16.977 1.854 0.973 0.859 0.818 0.636 CB 1.258 13 residues pruned to eliminate duplicates Z: 11 11.231 1.755 0.486 0.920 1.000 0.900 CB 0.959 11 residues pruned to eliminate duplicates Z: 13 14.378 1.649 0.497 0.819 0.917 0.750 N 1.390 12 residues pruned to eliminate duplicates Z: 15 14.638 1.873 0.470 0.903 1.000 1.000 CB 1.013 15 residues pruned to eliminate duplicates Z: 14 14.989 1.642 0.893 0.777 0.923 0.769 CB 1.135 14 residues pruned to eliminate duplicates Z: 19 18.939 1.699 0.669 0.920 1.000 0.722 CB 1.108 Z: 14 15.374 1.609 0.530 0.869 1.000 1.000 CB 1.265 14 residues pruned to eliminate duplicates Z: 13 15.598 1.784 0.217 0.913 1.000 0.917 CB 1.468 Z: 10 10.861 1.625 0.553 0.742 0.889 0.556 CB 1.300 Z: 12 17.839 1.713 0.505 0.912 1.000 0.909 O 1.477 13 residues pruned to eliminate duplicates Z: 12 15.315 1.808 0.652 0.842 0.909 0.455 CB 1.267 12 residues pruned to eliminate duplicates Z: 6 2.328 1.423 0.488 0.298 0.800 0.800 N 0.770 Z: 11 18.921 1.896 0.839 0.781 0.900 0.800 CB 1.488 9 residues pruned to eliminate duplicates Z: 10 10.485 1.674 0.557 0.917 1.000 0.778 CB 0.946 Z: 11 18.645 1.882 0.566 0.896 1.000 0.900 CB 1.433 11 residues pruned to eliminate duplicates Z: 13 11.272 1.817 0.521 0.716 0.750 0.250 CB 1.291 13 residues pruned to eliminate duplicates Z: 6 3.759 1.833 -0.047 0.888 1.000 1.000 CB 0.693 Z: 13 18.575 1.858 0.526 0.885 1.000 0.833 CB 1.365 7 residues pruned to eliminate duplicates Z: 14 16.594 1.824 0.667 0.814 0.923 0.846 CB 1.248 Z: 23 10.589 1.741 0.559 0.442 0.818 0.318 CB 1.079 29 residues pruned to eliminate duplicates Z: 24 17.766 1.685 0.678 0.868 0.913 0.522 CB 1.049 24 residues pruned to eliminate duplicates Z: 9 5.450 1.783 0.238 0.829 1.000 0.750 CB 0.657 Z: 9 7.541 1.791 0.266 0.825 1.000 1.000 CB 0.887 9 residues pruned to eliminate duplicates Z: 11 26.379 1.919 1.046 0.916 1.000 1.000 N 1.500 Z: 14 19.457 1.731 0.620 0.870 1.000 0.846 CB 1.405 13 residues pruned to eliminate duplicates Z: 19 19.620 1.727 0.688 0.920 0.944 0.722 CB 1.183 19 residues pruned to eliminate duplicates Z: 10 13.159 1.904 0.192 0.852 1.000 0.889 CB 1.429 10 residues pruned to eliminate duplicates Z: 23 18.335 1.887 0.779 0.500 0.864 0.455 CB 1.349 11 residues pruned to eliminate duplicates Z: 11 6.723 1.716 0.464 0.367 0.900 0.600 CB 1.085 Z: 12 10.671 1.727 0.387 0.776 0.909 0.727 CB 1.157 9 residues pruned to eliminate duplicates Z: 8 8.648 1.810 0.403 0.879 1.000 1.000 CB 0.934 Z: 8 6.067 1.768 0.292 0.462 0.857 0.286 CB 1.216 Z: 10 18.693 1.957 0.676 0.869 1.000 0.778 CB 1.387 10 residues pruned to eliminate duplicates Z: 16 13.834 1.864 0.645 0.838 0.933 0.800 CB 0.933 22 residues pruned to eliminate duplicates Z: 13 14.863 1.849 0.353 0.937 1.000 1.000 CB 1.193 13 residues pruned to eliminate duplicates Z: 13 19.495 1.802 0.538 0.830 1.000 0.917 CB 1.527 14 residues pruned to eliminate duplicates Z: 11 16.031 1.837 0.512 0.887 0.900 0.700 CB 1.463 11 residues pruned to eliminate duplicates Z: 12 11.449 1.519 0.949 0.753 0.818 0.545 CB 1.137 12 residues pruned to eliminate duplicates Z: 13 15.431 1.756 0.463 0.857 1.000 0.833 CB 1.277 13 residues pruned to eliminate duplicates Z: 9 8.211 1.739 0.244 0.461 1.000 0.750 CA 1.396 8 residues pruned to eliminate duplicates Z: 13 10.805 1.663 0.287 0.826 0.917 0.833 CB 1.200 Z: 8 5.398 1.665 0.322 0.427 0.714 0.714 N 1.400 6 residues pruned to eliminate duplicates Z: 14 12.581 1.852 0.261 0.874 1.000 0.923 CB 1.088 13 residues pruned to eliminate duplicates Z: 12 11.924 1.670 0.909 0.739 0.818 0.455 CB 1.112 12 residues pruned to eliminate duplicates Z: 12 20.691 1.860 0.855 0.829 1.000 0.909 CB 1.361 12 residues pruned to eliminate duplicates Z: 14 19.411 1.858 0.631 0.918 1.000 1.000 CB 1.253 15 residues pruned to eliminate duplicates Z: 11 16.795 1.790 0.844 0.873 1.000 0.800 CB 1.172 11 residues pruned to eliminate duplicates Z: 24 10.886 1.678 0.487 0.647 0.870 0.826 CB 0.912 Z: 12 17.914 1.870 0.663 0.864 1.000 0.818 CB 1.273 12 residues pruned to eliminate duplicates Z: 12 16.898 1.748 0.787 0.786 1.000 0.727 CB 1.268 12 residues pruned to eliminate duplicates Z: 8 6.565 1.780 0.593 0.578 0.714 0.714 CB 1.136 Z: 13 18.968 1.769 0.700 0.863 1.000 0.750 CB 1.336 13 residues pruned to eliminate duplicates Z: 6 3.641 1.652 0.551 0.324 1.000 0.800 CB 0.772 Z: 8 8.564 1.940 0.574 0.394 0.857 0.429 CB 1.383 10 residues pruned to eliminate duplicates Z: 19 17.717 1.681 0.490 0.925 1.000 0.778 CB 1.170 19 residues pruned to eliminate duplicates Z: 12 11.944 1.872 0.932 0.826 0.818 0.455 CB 0.918 12 residues pruned to eliminate duplicates Z: 12 20.599 1.875 0.839 0.875 1.000 0.818 CB 1.310 12 residues pruned to eliminate duplicates Z: 8 7.719 1.643 0.340 0.899 1.000 1.000 CB 0.947 Z: 7 9.485 1.689 0.571 0.869 1.000 0.833 CB 1.066 Z: 10 10.903 1.833 0.719 0.602 1.000 0.556 CB 1.047 Z: 7 6.999 1.713 0.749 0.369 0.833 0.500 CB 1.317 7 residues pruned to eliminate duplicates Z: 14 16.580 1.835 0.565 0.924 1.000 0.846 CB 1.124 15 residues pruned to eliminate duplicates Z: 21 11.663 1.651 0.463 0.905 1.000 0.800 CB 0.768 Z: 13 13.532 1.631 0.377 0.918 1.000 1.000 CB 1.227 Z: 10 11.414 1.737 0.773 0.546 0.889 0.444 O 1.329 Z: 6 2.637 1.902 0.179 0.375 0.800 0.600 CB 0.752 Z: 14 19.176 1.614 0.906 0.859 1.000 0.692 CB 1.272 12 residues pruned to eliminate duplicates Z: 28 12.572 1.804 0.463 0.496 0.815 0.481 CB 1.129 14 residues pruned to eliminate duplicates Z: 11 16.145 1.932 0.353 0.877 1.000 1.000 CB 1.419 11 residues pruned to eliminate duplicates Z: 8 13.445 1.654 0.876 0.761 1.000 0.857 O 1.299 Z: 6 4.471 1.592 1.151 0.803 0.800 0.600 CB 0.560 Z: 6 2.976 1.462 0.265 0.722 1.000 0.400 CB 0.589 Z: 6 5.129 1.603 0.482 0.721 1.000 0.400 CB 0.791 Z: 15 5.787 1.835 0.418 0.172 0.714 0.500 CB 1.239 15 residues pruned to eliminate duplicates Z: 12 15.869 1.728 0.464 0.897 1.000 0.909 N 1.354 12 residues pruned to eliminate duplicates Z: 10 13.023 1.749 0.430 0.854 1.000 0.778 N 1.282 Z: 11 8.290 1.575 0.602 0.917 0.800 0.500 CB 0.917 11 residues pruned to eliminate duplicates Z: 22 16.328 1.820 0.778 0.542 0.810 0.619 CB 1.305 20 residues pruned to eliminate duplicates Z: 19 8.325 1.579 0.245 0.608 0.889 0.722 CB 1.014 17 residues pruned to eliminate duplicates Z: 10 6.583 1.726 0.625 0.430 0.667 0.444 N 1.262 10 residues pruned to eliminate duplicates Z: 13 18.832 1.732 0.772 0.920 1.000 0.917 CB 1.248 Z: 6 8.111 1.773 0.214 0.713 1.000 0.800 CB 1.389 Z: 8 12.842 1.732 0.728 0.831 0.857 0.429 CB 1.421 8 residues pruned to eliminate duplicates Z: 23 16.150 1.775 0.658 0.565 0.909 0.636 CB 1.209 23 residues pruned to eliminate duplicates Z: 9 10.999 1.854 0.727 0.483 1.000 0.500 CB 1.235 8 residues pruned to eliminate duplicates Z: 14 15.875 1.686 0.645 0.865 1.000 0.692 CB 1.163 14 residues pruned to eliminate duplicates Z: 9 6.867 1.626 0.514 0.801 0.750 0.625 CB 1.011 9 residues pruned to eliminate duplicates Z: 11 11.815 1.863 0.081 0.886 1.000 0.800 CB 1.339 11 residues pruned to eliminate duplicates Z: 12 15.131 1.820 0.914 0.820 0.818 0.273 CB 1.213 12 residues pruned to eliminate duplicates Z: 10 9.503 1.634 0.311 0.870 0.889 0.778 CB 1.214 10 residues pruned to eliminate duplicates Z: 13 15.160 1.756 0.493 0.922 1.000 0.833 CB 1.174 13 residues pruned to eliminate duplicates Z: 7 3.712 1.643 0.358 0.401 0.833 0.500 CB 0.905 Z: 6 5.526 1.696 0.277 0.882 1.000 1.000 CB 0.826 Z: 12 5.228 1.557 0.184 0.300 0.818 0.455 CB 1.306 Z: 6 4.821 1.568 0.452 0.473 0.800 0.600 CB 1.217 6 1.408 1.354 -0.003 0.557 0.800 0.600 CB 0.552 ? Z: 13 13.865 1.707 0.382 0.899 1.000 0.750 CB 1.213 12 residues pruned to eliminate duplicates Z: 13 17.020 1.590 0.888 0.791 1.000 0.583 N 1.268 13 residues pruned to eliminate duplicates Z: 8 7.799 1.653 0.462 0.793 0.857 0.571 CB 1.101 8 residues pruned to eliminate duplicates Z: 8 5.549 1.721 0.449 0.515 0.714 0.429 N 1.160 8 residues pruned to eliminate duplicates Z: 13 22.262 1.835 0.838 0.848 1.000 0.750 CB 1.414 13 residues pruned to eliminate duplicates Z: 19 13.758 1.756 0.601 0.686 0.889 0.556 CB 1.095 15 residues pruned to eliminate duplicates Z: 10 7.309 1.595 0.624 0.645 1.000 0.667 CB 0.821 10 residues pruned to eliminate duplicates Z: 12 14.158 1.734 0.691 0.811 0.909 0.727 CB 1.221 10 residues pruned to eliminate duplicates Z: 12 13.266 1.873 0.531 0.635 0.818 0.818 CB 1.502 12 residues pruned to eliminate duplicates Z: 7 10.085 1.772 0.402 0.855 1.000 0.833 N 1.223 Z: 12 5.447 1.660 0.443 0.363 0.636 0.455 CB 1.247 12 residues pruned to eliminate duplicates Z: 12 21.614 1.885 0.897 0.820 1.000 0.909 CB 1.382 13 residues pruned to eliminate duplicates Z: 16 15.160 1.768 0.529 0.736 0.867 0.667 CB 1.351 16 residues pruned to eliminate duplicates Z: 12 11.713 1.764 0.074 0.877 1.000 0.818 CB 1.353 12 residues pruned to eliminate duplicates Z: 11 18.586 1.712 1.070 0.909 0.900 0.800 N 1.307 12 residues pruned to eliminate duplicates Z: 8 5.102 1.384 0.416 0.422 1.000 0.714 C 1.067 Z: 16 14.665 1.801 0.556 0.889 1.000 0.933 CB 0.972 16 residues pruned to eliminate duplicates Z: 20 17.782 1.791 0.776 0.680 0.947 0.737 CB 1.147 17 residues pruned to eliminate duplicates Z: 14 15.085 1.727 0.353 0.887 1.000 0.769 CB 1.291 13 residues pruned to eliminate duplicates Z: 9 13.406 1.690 0.501 0.897 1.000 0.875 O 1.338 8 residues pruned to eliminate duplicates Z: 6 2.276 1.748 -0.180 0.465 0.600 0.400 CB 1.226 Z: 6 4.374 1.495 0.501 0.739 1.000 0.800 CB 0.704 Z: 6 6.121 1.747 0.086 0.602 1.000 0.600 CA 1.309 6 residues pruned to eliminate duplicates Z: 13 23.896 1.812 0.876 0.912 1.000 0.833 CB 1.437 28 residues pruned to eliminate duplicates Z: 22 10.278 1.662 0.353 0.592 0.810 0.619 CB 1.129 22 residues pruned to eliminate duplicates Z: 14 19.263 1.685 0.738 0.795 1.000 0.538 CB 1.409 14 residues pruned to eliminate duplicates Z: 11 6.605 1.480 0.992 0.379 0.700 0.500 CB 1.151 Z: 6 4.554 1.585 -0.128 0.874 1.000 1.000 CB 1.072 Z: 6 5.759 1.474 0.396 0.764 1.000 0.600 CB 0.991 Z: 24 23.176 1.700 0.849 0.916 1.000 0.652 CB 1.085 24 residues pruned to eliminate duplicates Z: 7 3.720 1.610 0.296 0.447 0.667 0.500 N 1.153 Z: 11 16.906 1.851 0.626 0.919 1.000 0.700 CB 1.252 11 residues pruned to eliminate duplicates Z: 17 21.208 1.761 0.565 0.913 1.000 0.875 CB 1.362 17 residues pruned to eliminate duplicates Z: 12 13.489 1.803 0.337 0.899 1.000 0.818 CB 1.206 12 residues pruned to eliminate duplicates Z: 13 16.583 1.784 0.653 0.850 0.917 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 10 5.701 1.549 0.516 0.380 0.889 0.444 N 1.036 10 residues pruned to eliminate duplicates Z: 8 15.344 1.891 0.758 0.867 1.000 0.714 CB 1.276 8 residues pruned to eliminate duplicates Z: 13 13.639 1.607 0.693 0.818 1.000 0.833 CB 1.097 Z: 26 15.960 1.791 0.547 0.507 0.840 0.520 CB 1.362 17 residues pruned to eliminate duplicates Z: 11 15.115 1.833 0.697 0.855 0.900 0.900 CB 1.260 11 residues pruned to eliminate duplicates Z: 12 15.749 1.793 0.472 0.905 1.000 0.909 N 1.281 12 residues pruned to eliminate duplicates Z: 17 8.656 1.749 0.651 0.423 0.875 0.500 CB 0.928 17 residues pruned to eliminate duplicates Z: 7 8.105 1.632 0.813 0.652 0.833 0.667 CB 1.166 8 residues pruned to eliminate duplicates Z: 12 14.120 1.789 0.495 0.835 1.000 0.636 CB 1.192 12 residues pruned to eliminate duplicates Z: 9 5.899 1.701 0.270 0.859 1.000 0.875 CB 0.710 Z: 6 5.173 1.494 0.239 0.651 1.000 0.400 CB 1.086 Z: 8 4.300 1.476 -0.007 0.630 0.857 0.714 CB 1.144 Z: 9 14.082 1.743 0.426 0.881 1.000 0.875 CB 1.450 9 residues pruned to eliminate duplicates Z: 8 8.430 1.658 0.821 0.810 1.000 0.714 CB 0.806 Z: 12 6.687 1.621 0.764 0.476 0.727 0.545 N 0.993 12 residues pruned to eliminate duplicates Z: 7 5.886 1.627 0.654 0.704 0.833 0.833 N 0.890 7 residues pruned to eliminate duplicates Z: 9 7.517 1.527 0.616 0.868 1.000 0.750 CB 0.787 Z: 12 12.835 1.699 0.402 0.830 1.000 0.636 CB 1.222 12 residues pruned to eliminate duplicates Z: 14 18.003 1.779 0.750 0.903 1.000 0.769 CB 1.144 19 residues pruned to eliminate duplicates Z: 11 13.108 1.712 0.433 0.906 1.000 0.900 CB 1.201 10 residues pruned to eliminate duplicates Z: 10 6.388 1.752 0.410 0.336 0.778 0.667 CB 1.326 11 residues pruned to eliminate duplicates Z: 11 9.729 1.631 0.396 0.852 0.900 0.700 CB 1.111 11 residues pruned to eliminate duplicates Z: 9 13.267 1.968 0.414 0.854 1.000 0.750 N 1.245 9 residues pruned to eliminate duplicates Z: 8 4.895 1.499 0.615 0.597 0.714 0.714 CB 0.976 Z: 14 11.816 1.684 0.398 0.910 0.923 0.846 CB 1.069 5 residues pruned to eliminate duplicates Z: 21 16.122 1.836 0.694 0.715 0.950 0.700 CB 1.004 20 residues pruned to eliminate duplicates Z: 9 5.340 1.492 0.297 0.811 1.000 0.750 CB 0.744 6 residues pruned to eliminate duplicates Z: 9 22.858 1.953 0.791 0.915 1.000 1.000 CB 1.633 12 residues pruned to eliminate duplicates Z: 16 4.412 1.368 0.414 0.296 0.800 0.600 CB 0.925 Z: 9 9.321 1.585 0.571 0.786 0.875 0.875 CB 1.175 Z: 23 21.451 1.914 0.765 0.577 0.909 0.545 CB 1.383 23 residues pruned to eliminate duplicates Z: 11 10.268 1.656 0.210 0.875 0.900 0.900 CB 1.309 11 residues pruned to eliminate duplicates Z: 6 7.262 1.642 0.397 0.768 1.000 0.600 CA 1.117 Z: 9 8.042 1.649 0.524 0.552 1.000 0.375 CB 1.075 Z: 8 4.387 1.542 -0.190 0.773 0.857 0.857 O 1.217 Z: 8 8.090 1.633 0.640 0.872 1.000 0.857 CB 0.832 7 residues pruned to eliminate duplicates Z: 12 6.527 1.674 0.315 0.442 0.909 0.364 CB 1.044 15 residues pruned to eliminate duplicates Z: 11 10.258 1.546 0.252 0.876 1.000 0.900 CB 1.218 4 residues pruned to eliminate duplicates Z: 18 15.604 1.839 0.418 0.713 0.941 0.765 CB 1.271 18 residues pruned to eliminate duplicates Z: 16 12.915 1.803 0.331 0.899 1.000 0.867 CB 0.993 16 residues pruned to eliminate duplicates Z: 18 12.851 1.605 0.324 0.882 1.000 0.824 CB 1.062 17 residues pruned to eliminate duplicates Z: 10 6.407 1.503 0.519 0.423 0.778 0.556 CB 1.303 7 residues pruned to eliminate duplicates Z: 12 12.349 1.851 0.324 0.855 0.909 0.818 CB 1.233 12 residues pruned to eliminate duplicates Z: 15 9.626 1.552 0.445 0.888 1.000 0.929 CB 0.826 6 residues pruned to eliminate duplicates Z: 9 7.965 1.702 0.372 0.605 1.000 0.500 CB 1.091 Z: 11 17.701 1.858 0.450 0.844 1.000 0.700 CB 1.546 11 residues pruned to eliminate duplicates Z: 13 15.259 1.649 0.706 0.793 0.917 0.667 CB 1.321 12 residues pruned to eliminate duplicates Z: 13 22.389 1.859 0.963 0.820 1.000 0.750 CA 1.341 12 residues pruned to eliminate duplicates Z: 7 7.907 1.635 0.624 0.619 0.833 0.667 CB 1.303 7 residues pruned to eliminate duplicates Z: 19 14.091 1.676 0.516 0.833 0.944 0.500 CB 1.039 19 residues pruned to eliminate duplicates Z: 8 3.526 1.388 0.550 0.491 0.857 0.286 N 0.729 Z: 14 12.713 1.706 0.362 0.820 0.923 0.769 CB 1.245 14 residues pruned to eliminate duplicates Z: 12 14.897 1.762 0.515 0.875 1.000 0.909 CB 1.224 12 residues pruned to eliminate duplicates Z: 13 17.260 1.737 0.569 0.875 1.000 0.750 CB 1.330 13 residues pruned to eliminate duplicates Z: 7 3.424 1.456 0.234 0.363 0.833 0.500 N 1.082 Z: 18 9.143 1.477 0.641 0.867 1.000 0.529 CB 0.670 17 residues pruned to eliminate duplicates Z: 10 8.880 1.546 0.215 0.732 1.000 0.667 CB 1.279 Z: 15 11.580 1.600 0.676 0.847 0.857 0.500 CB 1.000 15 residues pruned to eliminate duplicates Z: 12 20.408 1.930 0.493 0.891 1.000 0.909 CB 1.535 12 residues pruned to eliminate duplicates Z: 19 16.170 1.736 0.516 0.909 1.000 0.778 CB 1.028 20 residues pruned to eliminate duplicates Z: 12 17.829 1.813 0.696 0.860 1.000 0.909 CB 1.285 12 residues pruned to eliminate duplicates Z: 15 8.504 1.655 0.231 0.913 1.000 0.857 CB 0.790 Z: 12 19.745 1.661 0.928 0.884 1.000 0.727 N 1.343 12 residues pruned to eliminate duplicates Z: 9 4.471 1.572 0.221 0.286 0.750 0.500 CB 1.398 Z: 10 11.758 1.833 0.648 0.438 1.000 0.444 CB 1.383 10 residues pruned to eliminate duplicates Z: 12 7.663 1.395 0.456 0.906 1.000 0.818 CB 0.809 Z: 18 15.316 1.653 0.455 0.882 0.941 0.471 CB 1.188 18 residues pruned to eliminate duplicates Z: 15 20.418 1.851 0.916 0.930 1.000 0.786 CB 1.076 15 residues pruned to eliminate duplicates Z: 18 17.686 1.715 0.575 0.869 1.000 0.882 CB 1.160 18 residues pruned to eliminate duplicates Z: 13 16.079 1.842 0.625 0.883 1.000 1.000 CB 1.122 13 residues pruned to eliminate duplicates Z: 6 3.627 1.773 0.646 0.881 1.000 1.000 CB 0.402 Z: 6 10.657 1.937 0.691 0.715 0.800 0.600 CA 1.497 7 residues pruned to eliminate duplicates Z: 13 15.132 1.751 0.324 0.889 1.000 0.917 CB 1.356 13 residues pruned to eliminate duplicates Z: 11 7.920 1.479 0.628 0.736 0.900 0.700 N 0.935 6 residues pruned to eliminate duplicates Z: 7 2.463 1.351 0.797 0.603 0.667 0.500 CB 0.563 7 residues pruned to eliminate duplicates Z: 15 14.041 1.636 0.460 0.822 1.000 0.714 CB 1.188 12 residues pruned to eliminate duplicates Z: 24 21.793 1.694 0.823 0.890 1.000 0.739 CB 1.059 24 residues pruned to eliminate duplicates Z: 14 13.899 1.588 0.372 0.822 1.000 0.769 N 1.338 14 residues pruned to eliminate duplicates Z: 8 5.458 1.552 0.538 0.426 0.714 0.286 O 1.307 7 residues pruned to eliminate duplicates Z: 6 7.377 1.737 0.239 0.710 1.000 0.800 CB 1.266 6 residues pruned to eliminate duplicates Z: 18 17.027 1.853 0.800 0.619 0.882 0.706 CB 1.255 9 residues pruned to eliminate duplicates Z: 11 9.513 1.680 0.348 0.835 0.900 0.900 CB 1.105 11 residues pruned to eliminate duplicates Z: 7 3.266 1.582 0.282 0.403 0.667 0.500 N 1.092 Z: 25 15.702 1.794 0.623 0.659 0.917 0.542 CB 1.037 25 residues pruned to eliminate duplicates Z: 11 13.274 1.697 0.273 0.909 1.000 1.000 CB 1.379 10 residues pruned to eliminate duplicates Z: 6 3.811 1.498 0.258 0.633 0.800 0.400 CB 0.998 Z: 9 9.892 1.651 0.453 0.757 0.875 0.500 CA 1.326 9 residues pruned to eliminate duplicates Z: 11 18.039 1.828 0.639 0.897 1.000 0.900 CB 1.363 11 residues pruned to eliminate duplicates Z: 7 5.230 1.442 0.396 0.576 0.833 0.333 O 1.182 Z: 22 11.669 1.649 0.585 0.910 1.000 0.714 CB 0.691 21 residues pruned to eliminate duplicates Z: 11 7.216 1.558 0.465 0.767 0.800 0.500 CB 0.986 6 residues pruned to eliminate duplicates Z: 21 9.697 1.854 0.464 0.240 0.900 0.600 CB 1.200 21 residues pruned to eliminate duplicates Z: 7 10.712 1.681 0.756 0.888 1.000 0.500 CB 1.067 Z: 6 4.632 1.470 0.073 0.709 1.000 0.600 CB 1.086 6 residues pruned to eliminate duplicates Z: 11 17.110 1.874 0.881 0.776 0.800 0.700 CB 1.504 11 residues pruned to eliminate duplicates Z: 17 10.853 1.625 0.541 0.879 1.000 0.750 CB 0.786 17 residues pruned to eliminate duplicates Z: 13 21.987 1.863 0.679 0.889 1.000 0.917 CB 1.461 16 residues pruned to eliminate duplicates Z: 10 6.229 1.739 0.217 0.682 0.889 0.667 CB 0.933 Z: 11 2.883 1.525 0.077 0.234 0.700 0.300 CB 1.080 Z: 6 4.816 1.586 0.277 0.773 1.000 0.600 CB 0.835 Z: 12 20.439 1.822 0.648 0.867 1.000 0.818 CB 1.501 12 residues pruned to eliminate duplicates Z: 9 7.213 1.533 0.362 0.860 1.000 0.625 CB 0.898 10 residues pruned to eliminate duplicates Z: 18 6.273 1.535 0.506 0.403 0.765 0.529 CB 0.954 14 residues pruned to eliminate duplicates Z: 7 6.566 1.659 0.769 0.658 0.833 0.333 CB 0.947 7 residues pruned to eliminate duplicates Z: 8 4.296 1.399 0.100 0.847 1.000 0.857 CB 0.783 Z: 8 3.880 1.553 0.122 0.539 0.714 0.429 CB 1.134 8 residues pruned to eliminate duplicates Z: 12 13.960 1.748 0.422 0.916 1.000 1.000 CB 1.196 12 residues pruned to eliminate duplicates Z: 12 13.304 1.685 0.389 0.858 1.000 0.818 CB 1.262 12 residues pruned to eliminate duplicates Z: 23 18.512 1.759 0.689 0.577 0.955 0.455 CB 1.293 28 residues pruned to eliminate duplicates Z: 8 3.131 1.533 -0.132 0.393 0.857 0.429 N 1.162 Z: 12 12.858 1.779 0.563 0.486 1.000 0.545 N 1.413 12 residues pruned to eliminate duplicates Z: 21 19.033 1.868 0.648 0.668 0.950 0.600 CB 1.246 21 residues pruned to eliminate duplicates Z: 17 9.637 1.682 0.513 0.497 0.750 0.562 CB 1.265 7 residues pruned to eliminate duplicates Z: 8 2.772 1.413 0.781 0.209 0.571 0.286 CB 1.027 Z: 12 11.831 1.577 0.364 0.865 1.000 0.818 CB 1.215 12 residues pruned to eliminate duplicates Z: 8 2.622 1.507 0.703 0.202 0.571 0.286 N 0.964 Z: 13 7.158 1.714 0.774 0.504 0.833 0.500 CB 0.812 13 residues pruned to eliminate duplicates Z: 9 8.753 1.701 0.422 0.902 1.000 1.000 CB 0.913 9 residues pruned to eliminate duplicates Z: 13 5.341 1.589 0.362 0.470 0.750 0.583 CB 0.980 13 residues pruned to eliminate duplicates Z: 14 16.443 1.685 0.462 0.881 1.000 0.846 CB 1.341 15 residues pruned to eliminate duplicates Z: 7 7.465 1.560 0.498 0.863 1.000 0.667 CB 0.956 Z: 12 6.195 1.751 0.337 0.508 0.727 0.545 CB 1.089 10 residues pruned to eliminate duplicates Z: 9 16.464 1.745 0.808 0.896 1.000 0.875 CB 1.322 9 residues pruned to eliminate duplicates Z: 9 2.610 1.414 0.345 0.453 0.750 0.375 O 0.679 Z: 10 2.957 1.414 0.350 0.858 1.000 0.667 CB 0.380 Z: 21 19.257 1.909 0.527 0.612 0.950 0.650 CB 1.399 21 residues pruned to eliminate duplicates Z: 13 12.004 1.657 0.443 0.887 1.000 0.917 CB 1.045 13 residues pruned to eliminate duplicates Z: 11 9.699 1.648 0.314 0.832 0.900 0.800 CB 1.182 11 residues pruned to eliminate duplicates Z: 7 9.429 1.534 0.703 0.830 1.000 0.833 CB 1.108 7 residues pruned to eliminate duplicates Z: 9 5.695 1.557 0.645 0.361 0.750 0.375 CB 1.217 8 residues pruned to eliminate duplicates Z: 11 13.690 1.747 0.381 0.855 1.000 0.800 CB 1.325 11 residues pruned to eliminate duplicates Z: 12 13.526 1.781 0.504 0.890 1.000 1.000 CB 1.095 12 residues pruned to eliminate duplicates Z: 7 3.578 1.114 0.725 0.433 1.000 0.500 N 0.815 Z: 7 2.582 1.592 0.096 0.360 0.667 0.500 CB 1.054 Z: 6 4.231 1.421 0.088 0.831 1.000 0.800 CB 0.920 Z: 14 6.404 1.564 0.434 0.428 0.923 0.462 CB 0.924 11 residues pruned to eliminate duplicates Z: 10 11.221 1.864 0.488 0.858 1.000 0.889 CB 0.993 10 residues pruned to eliminate duplicates Z: 12 13.230 1.697 0.512 0.854 1.000 0.636 CB 1.148 12 residues pruned to eliminate duplicates Z: 12 17.280 1.829 0.844 0.793 1.000 0.455 CB 1.194 12 residues pruned to eliminate duplicates Z: 6 3.885 1.784 -0.053 0.806 1.000 0.800 CB 0.788 Z: 13 11.710 1.805 0.329 0.861 0.917 0.667 CB 1.129 14 residues pruned to eliminate duplicates Z: 19 15.603 1.684 0.283 0.899 1.000 0.889 CB 1.217 20 residues pruned to eliminate duplicates Z: 14 13.378 1.786 0.414 0.870 1.000 0.846 CB 1.072 13 residues pruned to eliminate duplicates Z: 10 11.699 1.759 0.606 0.754 1.000 0.889 CB 1.100 7 residues pruned to eliminate duplicates Z: 11 11.369 1.786 0.365 0.782 0.800 0.600 CB 1.438 11 residues pruned to eliminate duplicates Z: 7 6.304 1.434 0.826 0.580 1.000 0.667 CB 0.911 Z: 22 12.643 1.591 0.401 0.920 0.857 0.714 CB 1.017 22 residues pruned to eliminate duplicates Z: 6 3.856 1.509 0.730 0.334 0.800 0.600 CB 0.991 Z: 9 5.203 1.473 0.708 0.436 1.000 0.500 CB 0.781 Z: 13 15.662 1.747 0.332 0.903 1.000 0.833 O 1.384 13 residues pruned to eliminate duplicates Z: 8 6.920 1.628 0.663 0.719 1.000 0.429 CB 0.793 8 residues pruned to eliminate duplicates Z: 12 10.912 1.795 0.440 0.818 0.909 0.727 CB 1.062 12 residues pruned to eliminate duplicates Z: 14 9.579 1.781 0.710 0.893 0.923 0.923 CB 0.678 13 residues pruned to eliminate duplicates Z: 16 7.548 1.616 0.549 0.737 0.867 0.600 CB 0.726 16 residues pruned to eliminate duplicates Z: 19 9.107 1.637 0.432 0.357 0.833 0.556 CB 1.282 19 residues pruned to eliminate duplicates Z: 8 2.797 1.590 0.522 0.868 1.000 0.714 CB 0.319 Z: 6 2.529 1.590 0.475 0.831 0.800 0.800 CB 0.453 Z: 6 7.118 1.565 0.365 0.796 1.000 1.000 CB 1.150 8 residues pruned to eliminate duplicates Z: 15 11.458 1.526 0.436 0.866 0.857 0.643 CB 1.194 16 residues pruned to eliminate duplicates Z: 6 2.089 1.367 0.393 0.364 0.800 0.600 CB 0.710 Z: 9 2.775 1.366 0.588 0.356 0.625 0.375 CB 0.845 Z: 9 6.369 1.707 0.204 0.558 0.875 0.500 N 1.184 Z: 20 16.069 1.675 0.473 0.889 1.000 0.842 CB 1.076 19 residues pruned to eliminate duplicates Z: 7 3.294 1.489 0.888 0.318 0.833 0.333 CB 0.702 Z: 6 2.327 1.471 -0.102 0.369 1.000 0.800 CB 0.906 8 residues pruned to eliminate duplicates Z: 10 2.019 1.274 0.296 0.165 0.667 0.333 N 0.919 Z: 15 10.633 1.716 0.416 0.809 0.857 0.857 CB 1.043 15 residues pruned to eliminate duplicates Z: 15 11.928 1.644 0.595 0.919 1.000 0.857 CB 0.857 14 residues pruned to eliminate duplicates Z: 8 4.582 1.407 0.593 0.352 0.857 0.714 CB 1.059 4 residues pruned to eliminate duplicates Z: 8 3.426 1.717 0.505 0.622 0.857 0.714 CB 0.521 8 residues pruned to eliminate duplicates Z: 16 14.574 1.584 0.477 0.871 0.933 0.667 CB 1.256 15 residues pruned to eliminate duplicates Z: 9 7.964 1.553 0.739 0.883 1.000 0.875 CB 0.754 9 residues pruned to eliminate duplicates Z: 7 2.538 1.463 1.103 0.448 0.667 0.500 CB 0.533 Z: 19 15.012 1.701 0.450 0.886 0.944 0.667 CB 1.096 19 residues pruned to eliminate duplicates Z: 20 6.528 1.790 0.445 0.196 0.789 0.526 CB 1.054 18 residues pruned to eliminate duplicates Z: 9 4.679 1.480 0.372 0.518 0.875 0.500 CB 0.915 Z: 14 21.980 1.757 0.708 0.897 1.000 0.692 N 1.454 14 residues pruned to eliminate duplicates Z: 10 4.492 1.532 0.420 0.237 0.889 0.556 CB 1.051 10 residues pruned to eliminate duplicates Z: 8 6.091 1.436 0.517 0.809 0.857 0.714 CB 0.941 7 residues pruned to eliminate duplicates Z: 15 10.637 1.809 0.590 0.662 0.857 0.786 CB 0.992 12 residues pruned to eliminate duplicates Z: 6 3.343 1.541 0.309 0.294 0.800 0.400 C 1.168 Z: 21 12.539 1.665 0.668 0.648 1.000 0.650 CB 0.880 16 residues pruned to eliminate duplicates Z: 10 9.750 1.662 0.577 0.553 1.000 0.778 N 1.177 23 residues pruned to eliminate duplicates Z: 9 3.642 1.449 0.147 0.425 0.875 0.375 CB 0.957 Z: 6 2.705 1.556 -0.162 0.445 0.800 0.600 CB 1.228 Z: 7 5.669 1.530 1.075 0.824 0.833 0.667 CB 0.661 7 residues pruned to eliminate duplicates Z: 13 12.500 1.611 0.749 0.849 1.000 0.833 CB 0.950 13 residues pruned to eliminate duplicates Z: 17 12.248 1.530 0.652 0.836 1.000 0.688 CB 0.907 18 residues pruned to eliminate duplicates Z: 7 2.116 1.256 -0.042 0.423 1.000 0.833 N 0.777 Z: 6 8.687 1.702 0.582 0.824 1.000 1.000 CB 1.090 4 residues pruned to eliminate duplicates Z: 12 4.927 1.544 0.367 0.418 0.727 0.545 CB 1.055 10 residues pruned to eliminate duplicates Z: 7 2.736 1.648 -0.096 0.510 1.000 0.500 CB 0.742 Z: 10 13.078 1.681 0.697 0.864 1.000 0.778 CB 1.120 10 residues pruned to eliminate duplicates Z: 14 9.754 1.495 0.349 0.834 1.000 0.769 CB 1.005 14 residues pruned to eliminate duplicates Z: 12 7.288 1.462 0.455 0.812 0.909 0.818 CB 0.866 12 residues pruned to eliminate duplicates Z: 9 8.223 1.544 0.487 0.881 0.875 0.875 CB 1.048 Z: 10 4.949 1.603 0.700 0.415 0.778 0.667 CB 0.851 10 residues pruned to eliminate duplicates Z: 9 10.569 1.753 0.402 0.813 0.875 0.875 CB 1.324 9 residues pruned to eliminate duplicates Z: 22 14.016 1.667 0.494 0.918 1.000 0.905 CB 0.866 21 residues pruned to eliminate duplicates Z: 12 12.464 1.811 0.420 0.896 0.909 0.909 CB 1.152 12 residues pruned to eliminate duplicates Z: 19 20.891 1.671 0.594 0.876 1.000 0.833 CB 1.344 20 residues pruned to eliminate duplicates Z: 10 4.922 1.537 0.232 0.327 0.889 0.667 C 1.178 Z: 9 3.849 1.558 0.498 0.357 0.750 0.625 CB 0.907 Z: 10 5.963 1.430 0.650 0.416 0.889 0.556 CB 1.034 Z: 6 5.699 1.752 0.481 0.871 1.000 1.000 CB 0.716 7 residues pruned to eliminate duplicates Z: 6 3.711 1.547 0.091 0.634 0.800 0.600 CB 1.083 Z: 11 6.092 1.639 0.367 0.496 0.700 0.400 CB 1.233 28 residues pruned to eliminate duplicates Z: 6 2.058 1.596 0.658 0.435 0.600 0.600 CB 0.620 6 residues pruned to eliminate duplicates Z: 10 11.801 1.726 0.255 0.894 1.000 1.000 CB 1.303 10 residues pruned to eliminate duplicates Z: 10 13.408 1.728 0.382 0.896 1.000 0.778 CB 1.340 10 residues pruned to eliminate duplicates Z: 11 3.397 1.550 0.109 0.289 0.800 0.300 CB 0.990 10 residues pruned to eliminate duplicates Z: 6 3.641 1.573 0.220 0.836 0.800 0.800 CB 0.794 Z: 13 9.965 1.556 0.299 0.849 0.917 0.833 CB 1.151 6 0.891 1.129 0.694 0.296 0.600 0.400 N 0.436 ? Z: 12 12.063 1.698 0.406 0.845 0.909 0.818 CB 1.247 12 residues pruned to eliminate duplicates Z: 12 11.261 1.727 0.732 0.623 0.909 0.727 N 1.112 12 residues pruned to eliminate duplicates Z: 11 4.829 1.492 0.254 0.546 0.900 0.400 CB 0.867 Z: 9 2.982 1.432 0.372 0.186 0.750 0.375 CB 1.043 Z: 8 8.057 1.840 0.621 0.472 1.000 0.571 CB 1.050 7 residues pruned to eliminate duplicates Z: 10 10.942 1.597 0.426 0.884 1.000 1.000 CA 1.158 9 residues pruned to eliminate duplicates Z: 14 14.023 1.687 0.315 0.808 0.923 0.615 CA 1.452 14 residues pruned to eliminate duplicates Z: 6 2.322 1.341 0.473 0.315 0.800 0.400 N 0.806 Z: 11 8.112 1.662 0.518 0.842 0.900 0.900 CB 0.842 11 residues pruned to eliminate duplicates 6 1.610 1.441 0.238 0.175 0.600 0.400 O 0.997 ? Z: 8 2.302 1.398 0.243 0.275 0.714 0.286 CB 0.904 Z: 6 4.825 1.563 0.197 0.777 1.000 0.800 CB 0.904 8 residues pruned to eliminate duplicates Z: 7 4.252 1.440 0.353 0.864 0.833 0.833 CB 0.784 7 residues pruned to eliminate duplicates Z: 10 3.061 1.589 0.080 0.347 0.778 0.556 CB 0.902 10 residues pruned to eliminate duplicates Z: 17 11.850 1.489 0.350 0.878 0.938 0.750 O 1.141 15 residues pruned to eliminate duplicates Z: 15 10.355 1.628 0.056 0.841 1.000 1.000 O 1.200 15 residues pruned to eliminate duplicates Z: 12 2.721 1.428 0.351 0.150 0.636 0.364 CB 1.029 Z: 10 9.393 1.744 0.301 0.907 1.000 1.000 CB 0.981 Z: 12 10.499 1.581 0.633 0.803 0.909 0.727 CB 1.035 10 residues pruned to eliminate duplicates Z: 8 10.050 1.753 0.593 0.433 1.000 0.714 CB 1.458 16 residues pruned to eliminate duplicates Z: 8 6.635 1.729 0.531 0.481 1.000 0.714 CB 0.966 8 residues pruned to eliminate duplicates Z: 11 9.294 1.731 -0.018 0.858 1.000 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 13 4.873 1.456 0.863 0.511 0.750 0.417 CB 0.684 13 residues pruned to eliminate duplicates Z: 8 3.115 1.505 0.444 0.533 0.857 0.429 CB 0.612 8 residues pruned to eliminate duplicates Z: 11 6.342 1.489 0.565 0.897 1.000 1.000 CB 0.616 11 residues pruned to eliminate duplicates Z: 7 6.629 1.739 0.378 0.430 1.000 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 9 9.030 1.655 0.733 0.858 1.000 0.750 CB 0.819 7 residues pruned to eliminate duplicates Z: 9 4.314 1.576 0.152 0.363 1.000 0.250 CB 0.974 9 residues pruned to eliminate duplicates Z: 14 14.313 1.797 0.794 0.486 0.923 0.385 N 1.353 12 residues pruned to eliminate duplicates Z: 10 2.695 1.431 0.056 0.218 0.778 0.444 CB 1.065 10 residues pruned to eliminate duplicates Z: 14 18.679 1.642 0.996 0.841 1.000 0.769 CA 1.179 14 residues pruned to eliminate duplicates Z: 10 2.654 1.582 0.260 0.372 0.667 0.333 CB 0.763 Z: 17 8.386 1.737 0.387 0.454 0.938 0.562 CB 0.973 9 residues pruned to eliminate duplicates Z: 10 5.903 1.651 0.482 0.497 0.889 0.667 CB 0.908 10 residues pruned to eliminate duplicates Z: 8 2.849 1.421 0.299 0.230 0.714 0.286 CB 1.118 7 1.771 1.472 0.133 0.335 0.500 0.333 N 1.038 ? Z: 6 2.088 1.394 0.443 0.281 0.600 0.400 N 0.991 7 1.978 1.318 0.213 0.816 0.833 0.833 CB 0.460 ? Z: 7 3.980 1.755 0.431 0.365 0.667 0.500 CB 1.122 Z: 10 7.287 1.560 0.221 0.571 1.000 0.333 O 1.191 Z: 6 4.854 1.472 0.193 0.853 1.000 0.800 CB 0.914 6 residues pruned to eliminate duplicates Z: 6 6.915 1.543 0.869 0.602 1.000 0.600 CA 0.973 5 residues pruned to eliminate duplicates Z: 10 4.305 1.638 0.527 0.788 1.000 0.667 CB 0.446 10 residues pruned to eliminate duplicates Z: 6 4.205 1.573 0.658 0.453 0.800 0.600 CB 0.946 Z: 11 5.280 1.290 0.695 0.898 1.000 0.800 CB 0.546 Z: 6 4.343 1.656 -0.054 0.735 1.000 0.800 CB 1.004 6 residues pruned to eliminate duplicates Z: 10 16.369 1.806 0.502 0.904 1.000 0.889 CB 1.433 10 residues pruned to eliminate duplicates Z: 19 18.834 1.866 0.454 0.712 0.944 0.889 CB 1.429 20 residues pruned to eliminate duplicates 6 1.807 1.407 0.013 0.286 0.800 0.400 N 0.902 ? Z: 10 8.978 1.505 0.408 0.902 1.000 1.000 CB 1.008 9 residues pruned to eliminate duplicates Z: 6 2.759 1.736 0.139 0.298 0.800 0.800 CB 0.977 6 residues pruned to eliminate duplicates Z: 10 4.066 1.566 0.207 0.306 0.778 0.444 CB 1.143 Z: 6 4.845 1.461 0.126 0.869 1.000 1.000 CA 0.962 7 residues pruned to eliminate duplicates Z: 8 6.467 1.605 0.456 0.802 0.857 0.714 CB 0.937 8 residues pruned to eliminate duplicates Z: 13 12.086 1.789 0.884 0.932 1.000 1.000 CB 0.723 13 residues pruned to eliminate duplicates Z: 8 3.990 1.451 0.632 0.529 0.714 0.571 CB 0.866 8 residues pruned to eliminate duplicates Z: 14 18.518 1.791 0.648 0.876 1.000 1.000 CB 1.265 14 residues pruned to eliminate duplicates Z: 9 9.280 1.414 0.719 0.889 0.875 0.875 CB 1.110 Z: 9 3.106 1.210 0.585 0.271 0.875 0.375 CB 0.849 Z: 7 2.709 1.791 0.771 0.876 0.833 0.833 CB 0.304 6 residues pruned to eliminate duplicates Z: 17 8.502 1.681 0.384 0.609 0.875 0.750 CB 0.941 15 residues pruned to eliminate duplicates Z: 15 13.999 1.497 0.522 0.846 1.000 0.786 O 1.220 16 residues pruned to eliminate duplicates Z: 20 16.018 1.772 0.707 0.604 0.789 0.632 CB 1.393 20 residues pruned to eliminate duplicates Z: 9 4.723 1.405 0.108 0.503 1.000 0.250 N 1.070 Z: 11 4.003 1.627 0.116 0.691 0.700 0.600 CB 0.836 11 residues pruned to eliminate duplicates 7 1.376 1.270 0.639 0.333 0.500 0.333 CB 0.648 ? Z: 14 6.530 1.526 0.358 0.347 0.923 0.615 N 1.118 14 residues pruned to eliminate duplicates Z: 15 7.338 1.592 0.157 0.469 0.929 0.500 CB 1.184 25 residues pruned to eliminate duplicates Z: 28 12.163 1.582 0.411 0.563 0.815 0.185 CB 1.211 34 residues pruned to eliminate duplicates Z: 10 8.849 1.626 0.156 0.896 1.000 0.778 CB 1.124 10 residues pruned to eliminate duplicates Z: 7 2.198 1.464 0.229 0.409 0.667 0.500 N 0.823 Z: 8 3.554 1.485 0.508 0.293 0.714 0.429 N 1.059 Z: 6 6.822 1.522 0.518 0.844 1.000 0.800 CB 0.982 5 residues pruned to eliminate duplicates Z: 11 5.454 1.632 0.584 0.400 0.800 0.600 CB 0.927 Z: 7 7.756 1.511 0.420 0.818 0.833 0.667 CA 1.344 7 residues pruned to eliminate duplicates Z: 19 14.047 1.796 0.666 0.541 0.833 0.500 CB 1.275 19 residues pruned to eliminate duplicates Z: 13 9.301 1.610 0.158 0.789 0.917 0.667 CB 1.219 13 residues pruned to eliminate duplicates Z: 13 8.223 1.338 0.603 0.822 0.917 0.750 CB 0.914 10 residues pruned to eliminate duplicates Z: 9 4.160 1.490 0.556 0.785 0.875 0.500 CB 0.564 Z: 13 7.611 1.549 0.414 0.863 0.917 0.583 CB 0.803 13 residues pruned to eliminate duplicates Z: 11 4.175 1.530 0.612 0.296 0.700 0.300 N 0.960 Z: 7 3.859 1.151 0.562 0.825 0.833 0.667 N 0.793 6 1.820 1.315 0.487 0.491 0.800 0.400 N 0.525 ? 6 1.490 1.510 0.472 0.475 0.600 0.600 CB 0.513 ? Z: 10 9.073 1.705 -0.013 0.831 1.000 0.889 CB 1.351 10 residues pruned to eliminate duplicates Z: 13 7.634 1.562 0.538 0.906 1.000 0.833 CB 0.652 9 residues pruned to eliminate duplicates Z: 15 15.135 1.496 0.835 0.915 1.000 0.857 CB 1.041 15 residues pruned to eliminate duplicates Z: 9 9.654 1.470 0.975 0.581 1.000 0.375 CB 1.088 9 residues pruned to eliminate duplicates Z: 8 6.496 1.584 0.867 0.835 1.000 1.000 CB 0.622 Z: 14 8.684 1.507 0.286 0.904 0.923 0.846 CB 0.959 14 residues pruned to eliminate duplicates Z: 8 4.256 1.320 0.364 0.640 0.857 0.571 CB 0.914 Z: 11 6.145 1.701 0.216 0.494 0.800 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 14 19.408 1.666 0.818 0.855 0.923 0.769 CB 1.420 15 residues pruned to eliminate duplicates Z: 8 3.246 1.548 0.331 0.313 0.714 0.429 N 1.026 Z: 7 5.410 1.476 0.455 0.637 1.000 0.833 CB 0.905 Z: 16 18.069 1.675 0.650 0.825 1.000 0.867 CB 1.274 16 residues pruned to eliminate duplicates Z: 8 5.716 1.625 0.023 0.849 1.000 0.857 CB 0.963 8 residues pruned to eliminate duplicates Z: 8 6.867 1.622 0.676 0.718 0.714 0.429 CB 1.097 8 residues pruned to eliminate duplicates Z: 9 5.518 1.422 0.526 0.764 0.750 0.375 CA 0.948 9 residues pruned to eliminate duplicates Z: 12 10.329 1.617 0.442 0.787 1.000 0.727 CB 1.038 17 residues pruned to eliminate duplicates Z: 21 8.654 1.593 0.377 0.576 0.900 0.650 CB 0.911 18 residues pruned to eliminate duplicates Z: 10 7.602 1.595 0.030 0.851 1.000 0.889 CB 1.141 10 residues pruned to eliminate duplicates Z: 8 5.160 1.379 0.631 0.751 0.857 0.571 CB 0.809 8 residues pruned to eliminate duplicates Z: 9 12.387 1.753 0.873 0.791 1.000 0.750 CB 1.033 9 residues pruned to eliminate duplicates Z: 14 13.530 1.914 0.520 0.659 1.000 0.769 CB 1.113 14 residues pruned to eliminate duplicates Z: 9 7.090 1.686 0.877 0.865 0.875 0.375 CB 0.663 Z: 7 3.114 1.605 0.739 0.216 0.500 0.333 CB 1.272 Z: 10 2.149 1.392 0.383 0.204 0.889 0.667 CB 0.595 Z: 10 4.454 1.686 0.386 0.496 0.778 0.667 CB 0.820 7 residues pruned to eliminate duplicates Z: 6 3.013 1.559 0.351 0.365 0.800 0.600 CB 0.925 Z: 7 6.796 1.462 0.389 0.757 1.000 0.833 O 1.087 Z: 15 9.162 1.548 0.545 0.731 0.786 0.571 CB 1.059 15 residues pruned to eliminate duplicates Z: 10 8.857 1.434 0.612 0.751 0.889 0.778 CB 1.149 5 residues pruned to eliminate duplicates Z: 9 9.025 1.698 0.722 0.769 0.875 0.625 CB 0.983 9 residues pruned to eliminate duplicates Z: 17 9.532 1.612 0.573 0.817 1.000 0.688 CB 0.714 17 residues pruned to eliminate duplicates Z: 15 9.775 1.680 0.535 0.657 0.857 0.643 CB 1.022 15 residues pruned to eliminate duplicates Z: 7 6.123 1.788 0.504 0.688 0.833 0.333 CB 0.939 6 residues pruned to eliminate duplicates Z: 6 3.501 1.397 0.432 0.258 1.000 0.400 N 1.032 Z: 14 12.566 1.741 0.352 0.797 0.923 0.769 CB 1.237 13 residues pruned to eliminate duplicates Z: 6 5.295 1.518 0.754 0.873 1.000 1.000 CB 0.648 Z: 11 8.584 1.649 0.308 0.610 0.900 0.700 CB 1.260 11 residues pruned to eliminate duplicates Z: 10 14.155 1.749 0.593 0.856 1.000 0.778 N 1.250 10 residues pruned to eliminate duplicates Z: 14 9.851 1.588 0.649 0.847 1.000 0.846 CB 0.775 14 residues pruned to eliminate duplicates Z: 12 5.555 1.472 0.361 0.361 0.818 0.636 N 1.186 Z: 7 6.282 1.348 0.451 0.661 1.000 0.667 O 1.129 13 residues pruned to eliminate duplicates Z: 6 4.660 1.676 0.144 0.376 1.000 0.600 CB 1.240 Z: 6 3.805 1.529 0.134 0.384 1.000 0.400 CB 1.111 Z: 7 2.663 1.491 0.209 0.432 0.667 0.333 CB 0.971 Z: 8 5.488 1.496 0.646 0.491 0.714 0.714 CB 1.190 8 residues pruned to eliminate duplicates 6 1.997 1.373 0.527 0.703 1.000 0.600 CB 0.354 ? Z: 11 10.715 1.659 0.614 0.725 1.000 0.700 CB 1.033 11 residues pruned to eliminate duplicates Z: 14 9.764 1.616 0.150 0.880 1.000 0.769 CB 1.056 14 residues pruned to eliminate duplicates Z: 7 5.603 1.358 0.491 0.854 1.000 1.000 CB 0.835 Z: 12 11.626 1.682 0.360 0.858 1.000 0.909 CB 1.128 12 residues pruned to eliminate duplicates Z: 6 4.392 1.435 0.407 0.612 0.800 0.800 O 1.094 Z: 9 6.212 1.787 0.662 0.735 0.875 0.500 CB 0.684 Z: 15 11.599 1.718 1.021 0.741 0.786 0.429 CB 0.916 15 residues pruned to eliminate duplicates Z: 6 6.706 1.355 0.640 0.789 1.000 0.800 N 1.047 Z: 18 15.059 1.609 0.384 0.915 1.000 0.882 CB 1.159 18 residues pruned to eliminate duplicates Z: 13 5.045 1.366 0.610 0.462 0.750 0.333 CB 0.918 Z: 6 2.819 1.577 -0.124 0.548 0.800 0.800 CB 1.089 Z: 11 14.171 1.525 0.883 0.867 1.000 0.800 N 1.142 14 residues pruned to eliminate duplicates Z: 11 2.437 1.335 0.769 0.286 0.600 0.300 CB 0.692 Z: 10 5.714 1.581 0.476 0.722 0.667 0.333 CB 1.002 10 residues pruned to eliminate duplicates Z: 9 4.367 1.495 0.736 0.223 0.750 0.500 CB 1.097 7 1.660 1.480 0.394 0.411 0.667 0.500 CB 0.541 ? Z: 7 5.042 1.262 0.780 0.846 1.000 1.000 CB 0.681 Z: 13 17.043 1.692 0.634 0.875 1.000 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 17 9.612 1.671 0.165 0.583 0.875 0.625 CB 1.302 17 residues pruned to eliminate duplicates Z: 6 4.444 1.454 0.662 0.559 0.800 0.400 CA 0.971 Z: 28 11.895 1.694 0.573 0.653 0.926 0.593 CB 0.805 34 residues pruned to eliminate duplicates 6 1.848 1.216 0.001 0.436 1.000 0.800 O 0.725 ? Z: 14 4.880 1.580 0.314 0.461 0.769 0.462 CB 0.882 14 residues pruned to eliminate duplicates Z: 8 4.416 1.597 0.216 0.356 0.857 0.857 CB 1.171 8 residues pruned to eliminate duplicates Z: 12 6.156 1.428 0.287 0.562 0.909 0.545 CB 1.047 Z: 11 3.197 1.408 0.094 0.386 1.000 0.600 CB 0.741 Z: 9 7.610 1.450 0.711 0.877 1.000 0.625 CB 0.788 7 residues pruned to eliminate duplicates Z: 19 9.753 1.616 0.424 0.543 0.778 0.667 CB 1.232 19 residues pruned to eliminate duplicates Z: 10 12.547 1.834 0.642 0.683 0.889 0.778 CB 1.321 9 residues pruned to eliminate duplicates Z: 7 7.420 1.497 0.610 0.716 1.000 0.667 CB 1.034 7 residues pruned to eliminate duplicates Z: 10 4.112 1.479 0.512 0.363 0.778 0.556 CB 0.913 Z: 9 6.530 1.766 0.543 0.445 0.750 0.750 CB 1.196 9 residues pruned to eliminate duplicates Z: 13 13.033 1.704 0.163 0.853 1.000 0.917 CB 1.403 13 residues pruned to eliminate duplicates Z: 14 8.809 1.541 0.579 0.564 0.846 0.462 N 1.115 14 residues pruned to eliminate duplicates Z: 9 8.884 1.521 0.768 0.822 0.875 0.625 CB 1.010 9 residues pruned to eliminate duplicates Z: 12 6.725 1.419 0.483 0.870 0.909 0.727 CB 0.774 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 5.487 1.440 0.538 0.862 1.000 0.857 CB 0.688 7 residues pruned to eliminate duplicates Z: 6 6.565 1.548 0.296 0.792 1.000 0.800 CA 1.134 6 residues pruned to eliminate duplicates Z: 8 3.326 1.425 0.358 0.731 0.857 0.714 CB 0.616 8 residues pruned to eliminate duplicates Z: 10 6.791 1.425 0.465 0.777 0.889 0.778 CB 0.955 7 residues pruned to eliminate duplicates Z: 6 2.649 1.590 0.676 0.318 0.600 0.200 N 0.906 6 residues pruned to eliminate duplicates Z: 9 6.848 1.755 0.796 0.438 0.625 0.375 CB 1.311 8 residues pruned to eliminate duplicates Z: 6 3.283 1.263 0.624 0.314 1.000 0.400 CB 0.880 5 residues pruned to eliminate duplicates Z: 6 3.778 1.301 0.699 0.374 1.000 0.400 CB 0.875 Z: 7 3.947 1.405 0.449 0.377 0.833 0.500 CB 1.083 Z: 6 6.160 1.501 0.710 0.419 1.000 0.200 CB 1.169 7 residues pruned to eliminate duplicates Z: 12 14.309 1.484 0.787 0.838 1.000 0.636 CA 1.216 9 residues pruned to eliminate duplicates Z: 12 8.819 1.380 0.851 0.773 0.818 0.364 CB 0.999 12 residues pruned to eliminate duplicates Z: 7 2.643 1.191 0.986 0.493 0.667 0.333 CA 0.689 Z: 12 16.078 1.855 0.436 0.812 1.000 0.909 CB 1.388 12 residues pruned to eliminate duplicates Z: 14 11.468 1.866 0.323 0.739 0.923 0.769 CB 1.127 14 residues pruned to eliminate duplicates Z: 12 16.264 1.900 0.552 0.742 1.000 0.909 CB 1.339 12 residues pruned to eliminate duplicates Z: 14 14.433 1.835 0.681 0.693 0.923 0.846 CB 1.179 14 residues pruned to eliminate duplicates Z: 13 20.401 1.879 0.630 0.840 1.000 1.000 CB 1.435 12 residues pruned to eliminate duplicates Z: 12 18.109 1.764 0.775 0.854 1.000 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 12 19.401 1.873 0.648 0.821 1.000 0.818 CA 1.435 12 residues pruned to eliminate duplicates Z: 12 19.863 1.885 0.673 0.835 1.000 0.909 CB 1.422 12 residues pruned to eliminate duplicates Z: 13 15.200 1.883 0.581 0.772 0.917 0.917 CB 1.264 13 residues pruned to eliminate duplicates Z: 13 16.734 1.877 0.807 0.772 0.917 0.917 CB 1.221 13 residues pruned to eliminate duplicates Z: 12 17.669 1.860 0.618 0.814 1.000 0.818 CB 1.348 12 residues pruned to eliminate duplicates Z: 13 20.372 1.866 0.669 0.838 1.000 1.000 CB 1.412 13 residues pruned to eliminate duplicates Z: 6 3.117 1.383 0.659 0.596 0.600 0.600 CA 0.924 6 residues pruned to eliminate duplicates Z: 9 6.341 1.770 0.262 0.348 0.875 0.250 CB 1.354 9 residues pruned to eliminate duplicates Z: 10 3.388 1.558 0.227 0.215 0.778 0.333 CB 1.063 10 residues pruned to eliminate duplicates Z: 11 8.987 1.734 0.496 0.310 1.000 0.400 CB 1.354 11 residues pruned to eliminate duplicates Z: 11 6.822 1.758 0.305 0.295 0.800 0.400 CB 1.479 11 residues pruned to eliminate duplicates Z: 12 7.439 1.764 0.316 0.314 0.909 0.636 CB 1.306 12 residues pruned to eliminate duplicates Z: 9 7.833 1.769 0.447 0.370 1.000 0.750 N 1.243 9 residues pruned to eliminate duplicates Z: 12 9.477 1.787 0.349 0.371 0.909 0.273 N 1.498 12 residues pruned to eliminate duplicates Z: 12 11.952 1.765 0.547 0.467 1.000 0.545 N 1.365 12 residues pruned to eliminate duplicates Z: 15 7.594 1.726 0.338 0.352 0.786 0.429 CB 1.312 15 residues pruned to eliminate duplicates Z: 15 9.355 1.629 0.434 0.471 0.929 0.643 N 1.187 15 residues pruned to eliminate duplicates Z: 19 13.333 1.672 0.666 0.525 0.889 0.611 N 1.238 21 residues pruned to eliminate duplicates Z: 15 15.426 1.751 0.550 0.914 1.000 0.714 CB 1.074 15 residues pruned to eliminate duplicates Z: 23 13.539 1.715 0.503 0.632 0.818 0.636 CB 1.210 23 residues pruned to eliminate duplicates Z: 22 11.155 1.709 0.383 0.515 0.905 0.524 CB 1.122 31 residues pruned to eliminate duplicates Z: 7 5.240 1.866 0.118 0.763 0.833 0.500 CB 0.974 7 residues pruned to eliminate duplicates Z: 9 6.265 1.794 0.770 0.503 0.750 0.500 CB 0.927 9 residues pruned to eliminate duplicates Z: 9 8.615 1.741 0.992 0.594 0.875 0.625 CB 0.917 9 residues pruned to eliminate duplicates Z: 10 7.801 1.764 0.790 0.605 0.889 0.667 CB 0.838 10 residues pruned to eliminate duplicates Z: 12 8.232 1.817 0.792 0.544 0.909 0.455 CB 0.803 10 residues pruned to eliminate duplicates Z: 10 4.907 1.554 0.725 0.473 0.778 0.556 CB 0.806 15 residues pruned to eliminate duplicates Z: 6 2.013 1.410 0.125 0.281 0.800 0.400 CA 0.908 6 residues pruned to eliminate duplicates Z: 17 13.927 1.765 0.914 0.581 0.938 0.625 CB 1.017 16 residues pruned to eliminate duplicates Z: 11 11.013 1.697 0.446 0.822 1.000 0.800 CB 1.073 9 residues pruned to eliminate duplicates Z: 14 7.010 1.460 0.455 0.743 0.923 0.692 CB 0.798 14 residues pruned to eliminate duplicates Z: 14 10.769 1.801 0.190 0.918 1.000 0.923 CB 0.982 14 residues pruned to eliminate duplicates Z: 34 13.516 1.745 0.480 0.516 0.879 0.606 CB 1.021 36 residues pruned to eliminate duplicates Z: 15 15.118 1.760 0.545 0.891 1.000 0.857 CB 1.069 15 residues pruned to eliminate duplicates Z: 16 13.010 1.755 0.443 0.759 0.933 0.667 CB 1.129 16 residues pruned to eliminate duplicates Z: 12 9.710 1.835 0.583 0.777 0.909 0.818 CB 0.868 12 residues pruned to eliminate duplicates Z: 13 9.941 1.818 0.330 0.792 0.917 0.667 CB 1.002 13 residues pruned to eliminate duplicates Z: 16 9.267 1.771 0.444 0.611 0.933 0.467 CB 0.902 16 residues pruned to eliminate duplicates Z: 11 9.812 1.825 0.706 0.767 0.900 0.600 CB 0.874 11 residues pruned to eliminate duplicates Z: 20 12.997 1.861 0.547 0.730 0.895 0.737 CB 0.941 20 residues pruned to eliminate duplicates Z: 16 12.305 1.888 0.572 0.632 0.933 0.600 CB 1.013 16 residues pruned to eliminate duplicates Z: 27 12.336 1.727 0.704 0.436 0.846 0.577 CB 1.037 27 residues pruned to eliminate duplicates Z: 21 10.694 1.743 0.515 0.543 0.900 0.700 CB 0.964 21 residues pruned to eliminate duplicates Z: 29 15.734 1.814 0.658 0.656 0.857 0.643 CB 0.998 29 residues pruned to eliminate duplicates Z: 18 13.326 1.829 0.796 0.625 0.882 0.588 CB 0.991 18 residues pruned to eliminate duplicates Z: 20 15.034 1.853 0.724 0.725 0.842 0.632 CB 1.047 20 residues pruned to eliminate duplicates Z: 22 15.906 1.790 0.676 0.603 0.905 0.571 CB 1.159 22 residues pruned to eliminate duplicates Z: 12 8.059 1.792 0.334 0.525 0.818 0.636 CB 1.211 12 residues pruned to eliminate duplicates Z: 20 17.488 1.842 0.746 0.625 0.947 0.737 CB 1.170 20 residues pruned to eliminate duplicates Z: 6 4.621 1.372 0.763 0.458 1.000 0.600 O 0.892 Z: 7 3.427 1.491 0.147 0.627 1.000 0.500 CB 0.726 7 residues pruned to eliminate duplicates Z: 15 8.056 1.655 0.636 0.335 0.857 0.500 CB 1.111 22 residues pruned to eliminate duplicates 6 1.511 1.138 0.479 0.485 0.800 0.400 CB 0.510 ? Z: 14 19.030 1.870 0.630 0.728 1.000 0.692 CA 1.410 14 residues pruned to eliminate duplicates Z: 19 15.521 1.800 0.655 0.627 0.889 0.778 CB 1.226 19 residues pruned to eliminate duplicates Z: 24 16.140 1.755 0.687 0.553 0.913 0.522 CB 1.182 24 residues pruned to eliminate duplicates Z: 17 16.798 1.817 0.651 0.616 0.938 0.812 CB 1.337 17 residues pruned to eliminate duplicates Z: 16 19.067 1.882 0.720 0.615 0.933 0.667 CA 1.461 16 residues pruned to eliminate duplicates Z: 20 13.414 1.701 0.544 0.552 0.842 0.474 CB 1.323 20 residues pruned to eliminate duplicates Z: 17 14.250 1.772 0.833 0.611 0.812 0.625 CB 1.215 17 residues pruned to eliminate duplicates Z: 22 15.720 1.819 0.578 0.581 0.952 0.476 CB 1.161 22 residues pruned to eliminate duplicates Z: 13 23.214 1.945 0.873 0.783 1.000 0.750 CA 1.435 13 residues pruned to eliminate duplicates Z: 17 15.670 1.747 0.818 0.603 0.938 0.625 CA 1.193 17 residues pruned to eliminate duplicates Z: 29 16.597 1.752 0.737 0.532 0.821 0.500 CB 1.216 29 residues pruned to eliminate duplicates Z: 18 17.860 1.805 0.762 0.656 0.882 0.588 CA 1.335 18 residues pruned to eliminate duplicates Z: 25 16.458 1.728 0.613 0.553 0.958 0.583 CB 1.194 25 residues pruned to eliminate duplicates Z: 9 3.369 1.473 0.687 0.353 0.750 0.500 CB 0.750 Z: 14 19.842 1.754 0.885 0.831 0.923 0.846 CB 1.355 14 residues pruned to eliminate duplicates Z: 28 15.509 1.803 0.566 0.532 0.815 0.593 CB 1.258 45 residues pruned to eliminate duplicates Z: 16 15.188 1.848 0.675 0.653 0.867 0.733 CB 1.268 16 residues pruned to eliminate duplicates Z: 21 18.502 1.863 0.753 0.613 0.950 0.600 CB 1.198 21 residues pruned to eliminate duplicates Z: 24 18.502 1.794 0.601 0.639 0.913 0.739 CB 1.292 24 residues pruned to eliminate duplicates Z: 12 20.462 1.887 0.703 0.888 1.000 0.818 CB 1.383 12 residues pruned to eliminate duplicates Z: 26 19.175 1.838 0.620 0.565 0.960 0.640 CB 1.260 18 residues pruned to eliminate duplicates Z: 12 19.983 1.905 0.769 0.865 0.909 0.636 CB 1.440 12 residues pruned to eliminate duplicates Z: 25 14.864 1.861 0.544 0.543 0.833 0.583 CB 1.214 25 residues pruned to eliminate duplicates Z: 19 17.741 1.895 0.618 0.723 0.889 0.778 CB 1.255 19 residues pruned to eliminate duplicates Z: 21 20.413 1.866 0.798 0.644 0.900 0.600 CB 1.322 21 residues pruned to eliminate duplicates Z: 18 7.225 1.768 0.473 0.294 0.765 0.529 CB 1.109 17 residues pruned to eliminate duplicates Z: 6 3.631 1.364 0.343 0.456 1.000 0.600 CB 0.927 6 residues pruned to eliminate duplicates Z: 19 16.940 1.871 0.712 0.553 0.889 0.500 CB 1.331 19 residues pruned to eliminate duplicates Z: 19 7.776 1.752 0.420 0.393 0.722 0.389 CB 1.142 19 residues pruned to eliminate duplicates Z: 20 14.234 1.862 0.744 0.492 0.842 0.421 CB 1.203 20 residues pruned to eliminate duplicates Z: 22 16.167 1.889 0.597 0.609 0.905 0.667 CB 1.166 22 residues pruned to eliminate duplicates Z: 27 16.342 1.862 0.599 0.510 0.923 0.615 CB 1.155 27 residues pruned to eliminate duplicates Z: 29 18.438 1.807 0.671 0.527 0.929 0.571 CB 1.210 29 residues pruned to eliminate duplicates Z: 19 6.169 1.822 0.267 0.281 0.778 0.333 CB 1.038 19 residues pruned to eliminate duplicates 6 1.844 1.318 0.282 0.335 0.800 0.200 CB 0.731 ? Z: 16 12.265 1.612 0.256 0.829 1.000 0.800 CB 1.177 16 residues pruned to eliminate duplicates Z: 16 11.770 1.619 0.219 0.804 1.000 0.800 CB 1.181 16 residues pruned to eliminate duplicates Z: 19 13.083 1.669 0.336 0.774 1.000 0.722 CB 1.086 15 residues pruned to eliminate duplicates Z: 14 12.059 1.711 0.295 0.805 1.000 0.769 CB 1.157 14 residues pruned to eliminate duplicates Z: 15 10.351 1.639 0.311 0.717 0.929 0.500 CB 1.140 15 residues pruned to eliminate duplicates Z: 16 9.834 1.581 0.243 0.681 0.867 0.467 CB 1.262 16 residues pruned to eliminate duplicates Z: 10 10.237 1.722 0.323 0.671 0.889 0.778 CB 1.440 10 residues pruned to eliminate duplicates Z: 10 6.016 1.654 0.107 0.555 0.889 0.556 CB 1.168 10 residues pruned to eliminate duplicates Z: 8 4.768 1.499 0.325 0.408 1.000 0.429 CB 0.999 Z: 10 10.518 1.686 0.192 0.767 1.000 0.667 CB 1.377 18 residues pruned to eliminate duplicates Z: 8 3.024 1.442 0.689 0.412 0.714 0.429 N 0.721 8 residues pruned to eliminate duplicates 7 1.668 1.466 0.141 0.317 0.667 0.333 N 0.747 ? Z: 8 2.240 1.422 0.110 0.348 0.714 0.286 CB 0.886 8 residues pruned to eliminate duplicates Z: 10 2.205 1.284 0.394 0.196 0.778 0.444 CB 0.759 10 residues pruned to eliminate duplicates Z: 10 9.167 1.634 0.496 0.711 0.889 0.667 CB 1.161 10 residues pruned to eliminate duplicates Z: 16 9.421 1.600 0.442 0.626 0.867 0.733 CA 1.080 16 residues pruned to eliminate duplicates Z: 33 16.633 1.666 0.527 0.624 0.938 0.625 CB 1.097 33 residues pruned to eliminate duplicates Z: 11 10.105 1.544 0.538 0.756 1.000 0.700 CB 1.071 11 residues pruned to eliminate duplicates Z: 25 19.795 1.689 0.594 0.804 0.917 0.792 CB 1.256 25 residues pruned to eliminate duplicates Z: 21 12.136 1.553 0.684 0.537 0.900 0.600 CB 1.112 21 residues pruned to eliminate duplicates Z: 12 12.614 1.696 0.731 0.756 0.909 0.909 CA 1.135 12 residues pruned to eliminate duplicates Z: 29 14.276 1.595 0.490 0.622 0.893 0.607 CB 1.133 29 residues pruned to eliminate duplicates Z: 21 17.144 1.617 0.775 0.723 0.950 0.650 N 1.150 21 residues pruned to eliminate duplicates Z: 23 13.951 1.549 0.721 0.745 0.955 0.591 CB 0.939 23 residues pruned to eliminate duplicates Z: 21 21.555 1.610 0.890 0.819 0.950 0.650 N 1.264 21 residues pruned to eliminate duplicates Z: 26 21.262 1.675 0.702 0.847 0.920 0.680 CB 1.204 26 residues pruned to eliminate duplicates Z: 25 25.306 1.735 0.762 0.892 1.000 0.667 CB 1.215 25 residues pruned to eliminate duplicates Z: 25 18.592 1.629 0.679 0.692 0.917 0.792 CB 1.270 25 residues pruned to eliminate duplicates Z: 6 7.870 1.808 0.897 0.666 0.800 0.400 N 1.100 6 residues pruned to eliminate duplicates Z: 23 15.361 1.676 0.827 0.688 0.864 0.591 CB 1.042 23 residues pruned to eliminate duplicates Z: 24 24.393 1.717 0.793 0.917 1.000 0.739 CB 1.166 24 residues pruned to eliminate duplicates Z: 13 14.594 1.752 0.652 0.895 0.917 0.833 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 16.719 1.796 0.789 0.840 1.000 0.545 CB 1.171 12 residues pruned to eliminate duplicates Z: 27 21.836 1.709 0.748 0.832 1.000 0.808 CB 1.077 27 residues pruned to eliminate duplicates Z: 26 24.360 1.662 0.781 0.904 1.000 0.520 CB 1.172 27 residues pruned to eliminate duplicates Z: 21 15.980 1.607 0.888 0.911 0.900 0.550 CB 0.928 19 residues pruned to eliminate duplicates Z: 26 23.306 1.690 0.859 0.932 1.000 0.720 CB 1.036 26 residues pruned to eliminate duplicates Z: 15 12.227 1.704 0.799 0.784 0.929 0.786 CB 0.894 15 residues pruned to eliminate duplicates Z: 14 6.837 1.421 0.845 0.496 0.923 0.692 CB 0.787 11 residues pruned to eliminate duplicates Z: 11 10.106 1.598 0.771 0.866 1.000 0.900 CB 0.827 11 residues pruned to eliminate duplicates Z: 6 6.508 1.613 0.968 0.785 0.800 0.800 CB 0.892 6 residues pruned to eliminate duplicates Z: 6 9.968 1.692 0.945 0.787 0.800 0.800 N 1.316 6 residues pruned to eliminate duplicates Z: 11 7.849 1.543 0.756 0.657 0.800 0.500 CB 0.990 11 residues pruned to eliminate duplicates Z: 8 8.736 1.655 1.004 0.717 0.857 0.714 CB 0.954 8 residues pruned to eliminate duplicates Z: 13 8.888 1.562 0.759 0.703 0.917 0.417 CB 0.846 13 residues pruned to eliminate duplicates Z: 13 11.028 1.600 0.581 0.748 1.000 0.667 CB 1.008 13 residues pruned to eliminate duplicates Z: 10 3.918 1.358 0.514 0.466 0.889 0.111 CB 0.740 10 residues pruned to eliminate duplicates Z: 7 4.026 1.485 0.343 0.784 0.833 0.500 CB 0.770 7 residues pruned to eliminate duplicates Z: 8 6.721 1.480 0.616 0.733 1.000 0.857 CB 0.862 7 residues pruned to eliminate duplicates Z: 8 10.333 1.523 0.787 0.848 1.000 0.857 CB 1.065 8 residues pruned to eliminate duplicates Z: 9 16.979 1.864 0.613 0.773 1.000 1.000 CB 1.569 9 residues pruned to eliminate duplicates Z: 27 15.843 1.729 0.552 0.573 0.846 0.615 CB 1.276 31 residues pruned to eliminate duplicates Z: 10 14.659 1.751 0.406 0.866 1.000 0.889 CB 1.452 10 residues pruned to eliminate duplicates Z: 12 9.854 1.761 0.355 0.604 0.909 0.727 CB 1.241 12 residues pruned to eliminate duplicates Z: 10 13.685 1.831 0.470 0.625 1.000 0.667 CB 1.507 10 residues pruned to eliminate duplicates Z: 21 16.228 1.829 0.516 0.606 0.900 0.450 CB 1.314 21 residues pruned to eliminate duplicates Z: 10 12.264 1.830 0.464 0.689 1.000 0.556 CB 1.282 10 residues pruned to eliminate duplicates Z: 22 16.235 1.723 0.540 0.638 0.952 0.667 CB 1.232 22 residues pruned to eliminate duplicates Z: 21 11.630 1.714 0.441 0.589 0.800 0.650 CB 1.208 21 residues pruned to eliminate duplicates Z: 21 19.331 1.848 0.551 0.646 0.950 0.750 CB 1.385 21 residues pruned to eliminate duplicates Z: 21 19.659 1.853 0.662 0.645 0.900 0.800 CB 1.385 21 residues pruned to eliminate duplicates Z: 14 18.071 1.787 0.576 0.804 0.923 0.769 CB 1.478 14 residues pruned to eliminate duplicates Z: 24 15.919 1.775 0.539 0.559 0.870 0.652 CB 1.319 24 residues pruned to eliminate duplicates Z: 21 18.343 1.823 0.574 0.653 0.900 0.700 CB 1.377 21 residues pruned to eliminate duplicates Z: 17 14.090 1.779 0.793 0.528 0.812 0.562 CB 1.322 17 residues pruned to eliminate duplicates Z: 13 8.010 1.754 0.786 0.359 0.667 0.500 CB 1.290 13 residues pruned to eliminate duplicates Z: 23 15.664 1.716 0.459 0.629 0.955 0.727 CB 1.238 23 residues pruned to eliminate duplicates Z: 7 6.616 1.852 0.386 0.575 0.833 0.667 CB 1.174 7 residues pruned to eliminate duplicates Z: 16 13.537 1.864 0.485 0.758 0.867 0.733 CB 1.159 16 residues pruned to eliminate duplicates Z: 15 18.867 1.928 0.588 0.842 1.000 0.786 CB 1.227 15 residues pruned to eliminate duplicates Z: 15 17.001 1.936 0.574 0.893 1.000 0.714 CB 1.071 15 residues pruned to eliminate duplicates Z: 10 11.868 1.847 0.618 0.603 1.000 0.778 CB 1.200 10 residues pruned to eliminate duplicates Z: 14 14.998 1.896 0.680 0.819 0.923 0.769 CB 1.073 14 residues pruned to eliminate duplicates Z: 14 18.711 1.976 0.555 0.865 0.923 0.769 CB 1.340 14 residues pruned to eliminate duplicates Z: 15 17.542 1.906 0.790 0.868 1.000 0.857 CB 1.005 15 residues pruned to eliminate duplicates Z: 20 11.790 1.760 0.501 0.626 0.842 0.579 CB 1.080 20 residues pruned to eliminate duplicates Z: 23 15.064 1.891 0.398 0.662 0.955 0.682 CB 1.095 23 residues pruned to eliminate duplicates Z: 14 22.577 1.960 0.941 0.878 0.923 0.846 CB 1.294 14 residues pruned to eliminate duplicates Z: 15 19.124 1.887 0.959 0.749 0.929 0.643 CB 1.193 15 residues pruned to eliminate duplicates Z: 16 16.949 1.900 0.975 0.804 0.867 0.467 CB 1.032 16 residues pruned to eliminate duplicates Z: 23 16.571 1.831 0.485 0.725 1.000 0.682 CB 1.061 23 residues pruned to eliminate duplicates Z: 11 4.322 1.603 0.330 0.475 1.000 0.600 CB 0.658 11 residues pruned to eliminate duplicates Z: 8 4.087 1.625 0.340 0.399 0.714 0.571 N 1.104 8 residues pruned to eliminate duplicates Z: 10 3.870 1.605 0.769 0.303 0.889 0.556 CB 0.637 10 residues pruned to eliminate duplicates Z: 8 5.258 1.739 0.339 0.356 0.857 0.571 CB 1.163 Z: 9 9.081 1.588 0.605 0.816 1.000 0.875 CB 0.957 9 residues pruned to eliminate duplicates Z: 10 8.517 1.456 0.607 0.813 0.889 0.889 CB 1.039 10 residues pruned to eliminate duplicates Z: 9 9.477 1.614 0.395 0.850 1.000 0.750 CB 1.102 9 residues pruned to eliminate duplicates Z: 9 11.049 1.637 0.730 0.849 1.000 0.750 CB 1.022 9 residues pruned to eliminate duplicates Z: 9 10.326 1.542 0.760 0.850 1.000 0.875 CB 0.996 9 residues pruned to eliminate duplicates Z: 14 4.273 1.505 0.400 0.510 0.769 0.615 CB 0.725 14 residues pruned to eliminate duplicates Z: 11 9.418 1.632 0.631 0.643 0.900 0.500 CB 1.087 11 residues pruned to eliminate duplicates Z: 6 2.395 1.591 0.237 0.221 0.800 0.200 N 0.944 4 residues pruned to eliminate duplicates Z: 12 11.362 1.490 0.222 0.884 1.000 0.818 C 1.360 11 residues pruned to eliminate duplicates Z: 10 9.508 1.512 0.165 0.851 1.000 0.889 CB 1.331 10 residues pruned to eliminate duplicates Z: 9 10.179 1.602 0.213 0.897 1.000 1.000 CB 1.325 9 residues pruned to eliminate duplicates Z: 16 12.278 1.568 0.220 0.883 0.933 0.800 CB 1.284 16 residues pruned to eliminate duplicates Z: 10 10.216 1.523 0.216 0.902 1.000 1.000 N 1.312 10 residues pruned to eliminate duplicates Z: 15 14.469 1.612 0.411 0.894 0.929 0.714 CB 1.313 15 residues pruned to eliminate duplicates Z: 12 9.656 1.539 0.457 0.763 0.818 0.818 CB 1.256 12 residues pruned to eliminate duplicates Z: 13 9.536 1.557 0.454 0.690 0.917 0.333 CB 1.114 13 residues pruned to eliminate duplicates Z: 13 11.094 1.623 0.411 0.720 0.917 0.333 CB 1.251 13 residues pruned to eliminate duplicates Z: 14 9.174 1.634 0.327 0.830 0.846 0.615 CB 1.043 14 residues pruned to eliminate duplicates Z: 9 5.337 1.605 0.382 0.756 0.750 0.625 CB 0.903 9 residues pruned to eliminate duplicates Z: 13 12.524 1.658 0.369 0.895 0.917 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 13 12.223 1.635 0.374 0.874 0.917 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 16 10.118 1.513 0.418 0.750 0.867 0.667 CB 1.124 16 residues pruned to eliminate duplicates Z: 11 5.704 1.433 0.410 0.706 0.700 0.700 CB 1.057 11 residues pruned to eliminate duplicates Z: 14 12.275 1.662 0.437 0.889 0.846 0.769 CB 1.212 14 residues pruned to eliminate duplicates Z: 13 9.606 1.514 0.501 0.815 0.833 0.667 CB 1.113 13 residues pruned to eliminate duplicates Z: 14 15.117 1.822 0.536 0.819 1.000 0.769 CB 1.137 14 residues pruned to eliminate duplicates Z: 17 11.383 1.691 0.436 0.699 0.938 0.875 CB 1.042 14 residues pruned to eliminate duplicates Z: 14 14.898 1.803 0.451 0.816 1.000 0.846 CB 1.200 14 residues pruned to eliminate duplicates Z: 14 17.275 1.808 0.608 0.796 1.000 0.846 CB 1.272 14 residues pruned to eliminate duplicates Z: 14 14.376 1.783 0.479 0.784 1.000 0.846 CB 1.177 13 residues pruned to eliminate duplicates Z: 21 14.209 1.670 0.537 0.669 0.950 0.650 CB 1.115 17 residues pruned to eliminate duplicates Z: 12 14.283 1.833 0.371 0.878 1.000 0.818 CB 1.244 12 residues pruned to eliminate duplicates Z: 14 17.500 1.826 0.532 0.830 1.000 0.846 CB 1.305 21 residues pruned to eliminate duplicates Z: 11 15.743 1.878 0.543 0.878 1.000 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 16 13.089 1.683 0.613 0.692 0.933 0.800 CB 1.119 16 residues pruned to eliminate duplicates Z: 15 10.996 1.729 0.488 0.731 0.929 0.786 CB 0.999 15 residues pruned to eliminate duplicates Z: 17 12.181 1.731 0.487 0.685 0.938 0.625 CB 1.064 17 residues pruned to eliminate duplicates Z: 12 8.399 1.527 0.756 0.433 0.818 0.545 CB 1.236 7 residues pruned to eliminate duplicates Z: 7 4.810 1.411 1.434 0.350 0.833 0.833 CB 0.808 7 residues pruned to eliminate duplicates Z: 22 19.670 1.905 0.712 0.497 1.000 0.571 CB 1.320 18 residues pruned to eliminate duplicates Z: 15 14.147 1.750 0.636 0.708 1.000 0.571 CB 1.093 15 residues pruned to eliminate duplicates Z: 23 19.853 1.878 0.743 0.555 0.909 0.682 CB 1.348 23 residues pruned to eliminate duplicates Z: 14 17.992 1.941 0.807 0.630 0.846 0.692 CB 1.488 14 residues pruned to eliminate duplicates Z: 14 20.257 2.059 0.874 0.579 0.923 0.615 CB 1.462 20 residues pruned to eliminate duplicates Z: 11 20.856 1.918 1.085 0.877 0.900 0.600 N 1.330 11 residues pruned to eliminate duplicates Z: 14 16.761 1.948 0.809 0.605 0.769 0.692 N 1.552 14 residues pruned to eliminate duplicates Z: 21 19.609 1.943 0.720 0.628 0.900 0.650 CB 1.292 21 residues pruned to eliminate duplicates Z: 13 18.216 1.817 1.035 0.850 0.833 0.417 CB 1.264 13 residues pruned to eliminate duplicates Z: 25 19.150 1.872 0.784 0.494 0.875 0.583 CB 1.346 23 residues pruned to eliminate duplicates Z: 14 20.520 1.888 0.765 0.759 0.923 0.615 CA 1.469 14 residues pruned to eliminate duplicates Z: 21 21.413 1.978 0.830 0.517 0.950 0.650 CB 1.369 21 residues pruned to eliminate duplicates Z: 21 18.625 1.963 0.675 0.447 0.950 0.550 CB 1.408 21 residues pruned to eliminate duplicates Z: 20 19.443 2.000 0.749 0.546 0.895 0.684 CB 1.362 20 residues pruned to eliminate duplicates Z: 24 18.212 1.889 0.687 0.528 0.870 0.609 CB 1.332 24 residues pruned to eliminate duplicates Z: 21 21.907 1.966 0.760 0.539 0.950 0.600 CB 1.433 21 residues pruned to eliminate duplicates Z: 23 17.103 1.898 0.748 0.499 0.818 0.591 CB 1.345 23 residues pruned to eliminate duplicates Z: 10 9.236 1.767 0.622 0.578 0.889 0.444 CB 1.121 10 residues pruned to eliminate duplicates Z: 21 10.536 1.712 0.468 0.602 0.850 0.700 CB 1.001 21 residues pruned to eliminate duplicates Z: 8 7.210 1.856 0.431 0.606 0.714 0.714 CB 1.299 8 residues pruned to eliminate duplicates Z: 12 13.177 1.806 0.569 0.726 1.000 0.909 CB 1.143 12 residues pruned to eliminate duplicates Z: 16 8.915 1.675 0.445 0.557 0.933 0.733 CB 0.964 16 residues pruned to eliminate duplicates Z: 23 9.806 1.650 0.386 0.508 0.909 0.591 CB 0.997 23 residues pruned to eliminate duplicates Z: 16 10.474 1.720 0.494 0.591 0.933 0.733 CB 1.034 16 residues pruned to eliminate duplicates Z: 15 11.739 1.718 0.544 0.629 1.000 0.500 CB 1.047 15 residues pruned to eliminate duplicates Z: 14 12.977 1.783 0.515 0.674 1.000 0.615 CB 1.136 14 residues pruned to eliminate duplicates Z: 14 10.720 1.765 0.490 0.601 0.923 0.615 CB 1.113 14 residues pruned to eliminate duplicates Z: 17 9.466 1.706 0.397 0.552 0.875 0.562 CB 1.078 17 residues pruned to eliminate duplicates Z: 18 8.494 1.650 0.567 0.489 0.882 0.529 CB 0.913 18 residues pruned to eliminate duplicates 6 1.012 1.434 -0.203 0.406 1.000 0.600 CB 0.437 ? Z: 19 6.286 1.590 0.317 0.413 0.889 0.500 CB 0.872 19 residues pruned to eliminate duplicates Z: 18 9.910 1.686 0.332 0.665 1.000 0.824 CB 0.918 18 residues pruned to eliminate duplicates Z: 7 3.092 1.563 0.422 0.522 0.667 0.667 CB 0.834 Z: 9 7.443 1.449 0.571 0.760 0.750 0.625 CB 1.223 9 residues pruned to eliminate duplicates Z: 10 9.131 1.469 0.429 0.677 1.000 0.667 CB 1.233 10 residues pruned to eliminate duplicates Z: 11 7.547 1.448 0.607 0.662 0.700 0.500 CB 1.261 12 residues pruned to eliminate duplicates Z: 13 8.765 1.395 0.478 0.769 0.833 0.500 O 1.160 11 residues pruned to eliminate duplicates Z: 14 9.508 1.379 0.671 0.815 0.923 0.538 CB 0.943 12 residues pruned to eliminate duplicates Z: 13 9.331 1.402 0.495 0.768 0.917 0.750 CB 1.105 13 residues pruned to eliminate duplicates Z: 6 5.139 1.430 0.671 0.521 0.800 0.600 CB 1.177 6 residues pruned to eliminate duplicates Z: 8 5.034 1.245 0.487 0.731 0.857 0.571 C 0.974 8 residues pruned to eliminate duplicates Z: 11 5.817 1.363 0.365 0.618 0.900 0.400 CB 0.983 11 residues pruned to eliminate duplicates Z: 11 6.788 1.396 0.571 0.601 0.800 0.500 CB 1.111 10 residues pruned to eliminate duplicates Z: 6 4.078 1.279 0.628 0.746 0.800 0.000 N 0.879 6 residues pruned to eliminate duplicates Z: 6 3.894 1.356 0.551 0.561 0.800 0.600 CB 0.976 Z: 6 4.406 1.382 1.083 0.419 1.000 0.600 CB 0.745 Z: 14 10.661 1.470 0.644 0.759 0.923 0.538 CB 1.053 14 residues pruned to eliminate duplicates Z: 17 12.433 1.714 0.482 0.666 0.812 0.625 CB 1.292 15 residues pruned to eliminate duplicates Z: 11 17.263 1.706 0.706 0.886 1.000 0.800 N 1.353 11 residues pruned to eliminate duplicates Z: 18 9.079 1.681 0.409 0.552 0.765 0.529 CB 1.157 18 residues pruned to eliminate duplicates Z: 15 11.854 1.653 0.643 0.673 0.786 0.571 N 1.265 15 residues pruned to eliminate duplicates Z: 8 4.938 1.709 0.604 0.502 0.571 0.429 N 1.189 8 residues pruned to eliminate duplicates Z: 13 11.580 1.730 0.777 0.629 0.833 0.583 CB 1.156 13 residues pruned to eliminate duplicates Z: 12 7.769 1.790 0.630 0.654 0.818 0.727 CB 0.851 12 residues pruned to eliminate duplicates Z: 19 7.359 1.625 0.571 0.499 0.722 0.389 CB 0.942 28 residues pruned to eliminate duplicates Z: 31 10.991 1.757 0.535 0.206 0.767 0.400 CB 1.373 31 residues pruned to eliminate duplicates Z: 23 12.689 1.800 0.450 0.506 0.818 0.636 CB 1.259 23 residues pruned to eliminate duplicates Z: 28 13.300 1.698 0.504 0.513 0.889 0.444 CB 1.113 28 residues pruned to eliminate duplicates Z: 39 12.691 1.691 0.467 0.373 0.789 0.500 CB 1.204 39 residues pruned to eliminate duplicates Z: 33 12.108 1.793 0.422 0.373 0.812 0.562 CB 1.183 33 residues pruned to eliminate duplicates Z: 26 11.940 1.780 0.443 0.498 0.920 0.400 CB 1.012 26 residues pruned to eliminate duplicates Z: 20 10.435 1.875 0.466 0.265 0.842 0.632 CB 1.351 20 residues pruned to eliminate duplicates Z: 26 9.155 1.812 0.510 0.265 0.680 0.360 CB 1.286 26 residues pruned to eliminate duplicates Z: 22 10.706 1.889 0.413 0.268 0.857 0.571 CB 1.330 22 residues pruned to eliminate duplicates Z: 31 13.218 1.805 0.633 0.261 0.867 0.467 CB 1.241 31 residues pruned to eliminate duplicates Z: 22 9.528 1.837 0.451 0.217 0.905 0.429 CB 1.201 22 residues pruned to eliminate duplicates Z: 22 9.027 1.824 0.257 0.276 0.905 0.429 CB 1.224 22 residues pruned to eliminate duplicates Z: 6 5.997 1.784 0.112 0.422 1.000 0.600 CB 1.466 6 residues pruned to eliminate duplicates Z: 15 6.033 1.849 0.461 0.134 0.786 0.500 CB 1.197 15 residues pruned to eliminate duplicates Z: 30 12.627 1.838 0.587 0.302 0.793 0.379 CB 1.264 30 residues pruned to eliminate duplicates Z: 21 9.094 1.809 0.439 0.255 0.750 0.450 CB 1.380 21 residues pruned to eliminate duplicates Z: 34 15.834 1.798 0.496 0.410 0.848 0.576 CB 1.327 34 residues pruned to eliminate duplicates Z: 16 5.250 1.794 0.274 0.093 0.800 0.400 CB 1.251 16 residues pruned to eliminate duplicates Z: 33 11.337 1.763 0.442 0.334 0.781 0.469 CB 1.210 33 residues pruned to eliminate duplicates Z: 10 3.341 1.744 0.262 0.159 0.667 0.667 CB 1.152 10 residues pruned to eliminate duplicates Z: 16 5.497 1.724 0.430 0.102 0.867 0.400 CB 1.104 16 residues pruned to eliminate duplicates Z: 16 6.648 1.786 0.639 0.117 0.800 0.333 CB 1.188 16 residues pruned to eliminate duplicates Z: 22 6.782 1.676 0.585 0.222 0.810 0.619 CB 0.953 16 residues pruned to eliminate duplicates Z: 8 8.526 1.584 0.419 0.863 1.000 0.857 CB 1.051 8 residues pruned to eliminate duplicates Z: 8 6.882 1.501 0.471 0.853 1.000 0.857 CB 0.871 7 residues pruned to eliminate duplicates Z: 9 6.936 1.447 0.560 0.863 1.000 0.875 CB 0.797 8 residues pruned to eliminate duplicates Z: 9 5.985 1.520 0.447 0.769 0.875 0.750 CB 0.867 9 residues pruned to eliminate duplicates Z: 9 4.983 1.504 0.399 0.647 0.875 0.375 CB 0.834 9 residues pruned to eliminate duplicates Z: 12 5.914 1.445 0.502 0.557 0.818 0.455 CB 0.950 12 residues pruned to eliminate duplicates Z: 7 3.830 1.491 0.236 0.180 1.000 0.167 CA 1.247 7 residues pruned to eliminate duplicates Z: 13 7.164 1.778 0.457 0.442 0.917 0.500 CB 0.924 13 residues pruned to eliminate duplicates Z: 19 20.330 1.947 0.605 0.617 1.000 0.556 CB 1.373 19 residues pruned to eliminate duplicates Z: 21 12.093 1.854 0.376 0.511 0.900 0.500 CB 1.165 21 residues pruned to eliminate duplicates Z: 25 13.286 1.753 0.566 0.516 0.917 0.583 CB 1.061 25 residues pruned to eliminate duplicates Z: 14 18.928 2.015 0.547 0.689 1.000 0.692 CB 1.416 14 residues pruned to eliminate duplicates Z: 15 14.841 1.997 0.351 0.593 1.000 0.643 CB 1.344 15 residues pruned to eliminate duplicates Z: 16 16.486 1.881 0.799 0.536 0.867 0.600 CB 1.401 16 residues pruned to eliminate duplicates Z: 15 17.334 1.998 0.575 0.601 0.929 0.643 CB 1.439 15 residues pruned to eliminate duplicates Z: 25 16.639 1.821 0.543 0.481 0.958 0.542 CB 1.286 25 residues pruned to eliminate duplicates Z: 21 14.025 1.860 0.651 0.471 0.850 0.400 CB 1.237 21 residues pruned to eliminate duplicates Z: 18 18.527 1.952 0.820 0.573 0.941 0.588 CB 1.252 18 residues pruned to eliminate duplicates Z: 6 3.368 1.431 0.702 0.307 0.800 0.600 CB 0.958 6 residues pruned to eliminate duplicates Z: 24 18.385 1.905 0.723 0.549 0.870 0.565 CB 1.280 24 residues pruned to eliminate duplicates Z: 8 8.395 1.651 0.354 0.826 1.000 0.857 CB 1.071 8 residues pruned to eliminate duplicates Z: 14 7.233 1.676 0.187 0.523 0.846 0.385 CB 1.164 19 residues pruned to eliminate duplicates Z: 9 8.154 1.601 0.442 0.884 1.000 0.875 CB 0.902 9 residues pruned to eliminate duplicates Z: 10 7.485 1.756 0.462 0.864 1.000 0.778 CB 0.712 10 residues pruned to eliminate duplicates Z: 14 7.899 1.676 0.411 0.788 0.923 0.846 CB 0.779 14 residues pruned to eliminate duplicates Z: 19 8.378 1.604 0.708 0.455 0.778 0.500 CB 0.970 19 residues pruned to eliminate duplicates Z: 13 8.684 1.646 0.521 0.795 1.000 0.833 CB 0.773 13 residues pruned to eliminate duplicates Z: 26 12.966 1.697 0.445 0.651 0.960 0.560 CB 0.957 23 residues pruned to eliminate duplicates Z: 16 11.899 1.671 0.497 0.884 1.000 0.933 CB 0.887 14 residues pruned to eliminate duplicates Z: 18 11.282 1.614 0.558 0.828 0.941 0.882 CB 0.870 15 residues pruned to eliminate duplicates Z: 11 12.053 1.733 0.644 0.879 1.000 0.700 CB 0.970 11 residues pruned to eliminate duplicates Z: 14 10.263 1.675 0.475 0.749 0.846 0.385 CB 1.090 14 residues pruned to eliminate duplicates Z: 20 9.310 1.548 0.600 0.598 0.947 0.474 CB 0.829 21 residues pruned to eliminate duplicates Z: 20 9.862 1.606 0.582 0.830 0.895 0.526 CB 0.748 20 residues pruned to eliminate duplicates Z: 14 5.678 1.461 0.629 0.574 0.846 0.615 CB 0.728 14 residues pruned to eliminate duplicates Z: 10 2.029 1.457 0.437 0.377 0.778 0.444 CB 0.474 10 residues pruned to eliminate duplicates Z: 10 3.716 1.539 0.627 0.481 0.889 0.444 CB 0.567 10 residues pruned to eliminate duplicates Z: 14 5.076 1.493 0.530 0.578 0.846 0.385 CB 0.676 14 residues pruned to eliminate duplicates Z: 6 3.936 1.599 0.737 0.632 0.800 0.600 CB 0.700 6 residues pruned to eliminate duplicates Z: 8 4.517 1.543 0.621 0.669 0.857 0.429 CB 0.682 8 residues pruned to eliminate duplicates Z: 9 3.515 1.593 0.573 0.468 0.750 0.500 CB 0.683 9 residues pruned to eliminate duplicates Z: 10 4.497 1.530 0.578 0.584 0.778 0.444 CB 0.737 10 residues pruned to eliminate duplicates Z: 8 5.821 1.647 0.647 0.699 0.857 0.714 CB 0.790 8 residues pruned to eliminate duplicates Z: 14 7.473 1.559 0.675 0.474 0.769 0.308 CB 1.060 14 residues pruned to eliminate duplicates Z: 14 12.271 1.715 0.428 0.627 0.923 0.615 CB 1.336 14 residues pruned to eliminate duplicates Z: 12 12.816 1.632 0.456 0.720 1.000 0.909 CB 1.332 13 residues pruned to eliminate duplicates Z: 11 13.560 1.749 0.412 0.811 1.000 0.900 CB 1.324 10 residues pruned to eliminate duplicates Z: 9 11.112 1.698 0.478 0.883 1.000 1.000 CB 1.132 9 residues pruned to eliminate duplicates Z: 12 13.619 1.739 0.597 0.627 1.000 0.545 CB 1.311 12 residues pruned to eliminate duplicates Z: 10 11.797 1.702 0.329 0.893 1.000 1.000 CB 1.248 10 residues pruned to eliminate duplicates Z: 9 10.462 1.733 0.231 0.898 1.000 1.000 CB 1.240 9 residues pruned to eliminate duplicates Z: 13 12.535 1.693 0.461 0.704 1.000 0.833 CB 1.214 13 residues pruned to eliminate duplicates Z: 7 9.639 1.729 0.389 0.837 1.000 0.667 CB 1.226 7 residues pruned to eliminate duplicates Z: 14 14.381 1.734 0.519 0.709 1.000 0.769 CB 1.253 14 residues pruned to eliminate duplicates Z: 15 13.950 1.701 0.664 0.628 1.000 0.786 CB 1.168 14 residues pruned to eliminate duplicates Z: 9 8.429 1.698 0.353 0.876 1.000 1.000 CB 0.943 9 residues pruned to eliminate duplicates Z: 15 20.805 1.826 0.919 0.717 1.000 0.786 CB 1.304 15 residues pruned to eliminate duplicates Z: 14 24.324 1.851 0.973 0.822 1.000 0.769 CA 1.398 14 residues pruned to eliminate duplicates Z: 12 22.305 1.971 0.540 0.886 1.000 0.818 CB 1.598 13 residues pruned to eliminate duplicates Z: 11 20.919 1.828 0.954 0.789 1.000 0.600 CB 1.437 11 residues pruned to eliminate duplicates Z: 16 15.940 1.822 0.792 0.653 0.867 0.867 CB 1.261 16 residues pruned to eliminate duplicates Z: 16 17.912 1.853 0.833 0.705 0.933 0.667 CB 1.211 16 residues pruned to eliminate duplicates Z: 15 17.404 1.806 0.906 0.705 0.857 0.643 CB 1.308 15 residues pruned to eliminate duplicates Z: 16 18.151 1.855 0.697 0.704 0.933 0.733 CB 1.325 14 residues pruned to eliminate duplicates Z: 12 27.732 2.029 0.862 0.884 1.000 0.727 CB 1.599 12 residues pruned to eliminate duplicates Z: 17 17.584 1.840 0.656 0.702 0.938 0.625 CB 1.280 17 residues pruned to eliminate duplicates Z: 15 15.214 1.883 0.741 0.711 0.857 0.714 CB 1.196 15 residues pruned to eliminate duplicates Z: 16 15.463 1.831 0.977 0.641 0.867 0.667 CB 1.115 16 residues pruned to eliminate duplicates Z: 9 7.305 1.646 0.430 0.880 1.000 1.000 CB 0.795 9 residues pruned to eliminate duplicates Z: 10 5.037 1.665 0.119 0.640 0.778 0.556 CB 1.017 10 residues pruned to eliminate duplicates Z: 10 5.644 1.596 -0.037 0.679 1.000 0.667 CB 1.038 10 residues pruned to eliminate duplicates Z: 9 4.035 1.537 0.343 0.639 0.875 0.500 CB 0.693 9 residues pruned to eliminate duplicates Z: 12 7.423 1.632 0.518 0.618 0.818 0.455 CB 0.988 12 residues pruned to eliminate duplicates Z: 14 6.240 1.556 0.476 0.647 0.769 0.538 CB 0.854 14 residues pruned to eliminate duplicates Z: 6 6.218 1.722 0.627 0.686 0.800 0.600 CB 1.046 6 residues pruned to eliminate duplicates Z: 9 7.490 1.688 0.527 0.875 0.875 0.625 CB 0.854 9 residues pruned to eliminate duplicates Z: 10 9.200 1.627 0.658 0.797 1.000 0.556 CB 0.876 10 residues pruned to eliminate duplicates Z: 9 7.702 1.563 0.898 0.780 0.875 0.625 CB 0.820 9 residues pruned to eliminate duplicates Z: 7 3.264 1.550 0.668 0.418 0.833 0.333 CB 0.674 7 residues pruned to eliminate duplicates Z: 7 6.015 1.524 0.160 0.787 1.000 0.833 O 1.079 Z: 6 4.468 1.520 0.256 0.826 1.000 0.800 CB 0.789 6 residues pruned to eliminate duplicates Z: 7 5.259 1.643 -0.044 0.756 0.833 0.833 O 1.307 7 residues pruned to eliminate duplicates Z: 12 7.863 1.437 0.224 0.864 1.000 0.727 CB 0.989 12 residues pruned to eliminate duplicates Z: 8 8.591 1.624 0.206 0.773 1.000 0.571 CB 1.302 8 residues pruned to eliminate duplicates Z: 12 4.875 1.593 0.133 0.496 0.818 0.545 CB 1.000 12 residues pruned to eliminate duplicates Z: 7 5.142 1.619 0.456 0.740 0.833 0.667 CB 0.862 7 residues pruned to eliminate duplicates Z: 6 6.826 1.500 0.488 0.869 1.000 0.800 CB 1.000 6 residues pruned to eliminate duplicates Z: 8 4.904 1.394 0.531 0.729 1.000 0.571 CB 0.707 8 residues pruned to eliminate duplicates Z: 6 4.793 1.424 0.496 0.852 1.000 0.800 CB 0.744 6 residues pruned to eliminate duplicates Z: 7 3.706 1.447 0.588 0.662 0.833 0.500 CB 0.680 6 residues pruned to eliminate duplicates Z: 20 16.734 1.628 0.358 0.930 1.000 0.895 CB 1.213 20 residues pruned to eliminate duplicates Z: 13 10.707 1.609 0.430 0.798 0.917 0.750 N 1.129 13 residues pruned to eliminate duplicates Z: 13 14.891 1.612 0.521 0.858 1.000 0.750 N 1.291 13 residues pruned to eliminate duplicates Z: 14 16.148 1.621 0.534 0.866 1.000 0.385 N 1.318 14 residues pruned to eliminate duplicates Z: 20 15.844 1.592 0.434 0.905 1.000 0.632 CB 1.134 20 residues pruned to eliminate duplicates Z: 15 8.549 1.576 0.493 0.646 0.714 0.429 N 1.187 15 residues pruned to eliminate duplicates Z: 11 12.870 1.666 0.639 0.725 0.900 0.300 CB 1.351 11 residues pruned to eliminate duplicates Z: 13 10.330 1.532 0.676 0.828 0.833 0.583 N 1.049 13 residues pruned to eliminate duplicates Z: 20 19.348 1.676 0.755 0.879 0.947 0.684 CB 1.155 20 residues pruned to eliminate duplicates Z: 21 20.074 1.644 0.720 0.902 1.000 0.500 CB 1.133 21 residues pruned to eliminate duplicates Z: 15 12.585 1.585 0.745 0.828 0.929 0.500 CB 0.986 15 residues pruned to eliminate duplicates Z: 20 19.398 1.660 0.865 0.878 0.947 0.421 CB 1.101 20 residues pruned to eliminate duplicates Z: 19 15.021 1.663 0.663 0.705 1.000 0.667 CB 1.062 19 residues pruned to eliminate duplicates Z: 7 9.475 1.746 0.485 0.876 1.000 0.667 CB 1.084 7 residues pruned to eliminate duplicates Z: 12 8.733 1.561 0.530 0.730 0.909 0.545 CB 0.986 12 residues pruned to eliminate duplicates Z: 15 9.400 1.619 0.563 0.610 0.929 0.714 CB 0.964 15 residues pruned to eliminate duplicates Z: 7 11.857 1.771 0.819 0.844 1.000 0.667 CB 1.119 7 residues pruned to eliminate duplicates Z: 7 9.694 1.725 0.516 0.870 1.000 1.000 CB 1.105 7 residues pruned to eliminate duplicates Z: 13 11.167 1.739 0.534 0.491 0.833 0.500 CA 1.463 11 residues pruned to eliminate duplicates 6 1.991 1.242 0.191 0.232 1.000 0.400 CB 0.822 ? Z: 6 3.903 1.545 0.252 0.344 1.000 0.200 N 1.069 6 residues pruned to eliminate duplicates Z: 14 12.176 1.744 0.719 0.447 0.846 0.308 CB 1.406 14 residues pruned to eliminate duplicates Z: 12 18.401 1.649 0.949 0.712 1.000 0.636 O 1.424 12 residues pruned to eliminate duplicates Z: 28 10.771 1.703 0.430 0.385 0.741 0.370 CB 1.298 28 residues pruned to eliminate duplicates Z: 11 12.471 1.745 0.733 0.530 0.900 0.400 CA 1.407 11 residues pruned to eliminate duplicates Z: 24 16.187 1.781 0.586 0.554 0.913 0.609 CB 1.241 24 residues pruned to eliminate duplicates Z: 19 16.834 1.834 0.648 0.647 0.944 0.667 CB 1.212 22 residues pruned to eliminate duplicates Z: 12 16.772 1.622 1.022 0.814 0.909 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 19 13.202 1.758 0.463 0.539 0.833 0.556 CB 1.397 19 residues pruned to eliminate duplicates Z: 20 17.511 1.805 0.666 0.622 0.947 0.684 CB 1.257 20 residues pruned to eliminate duplicates Z: 21 13.481 1.762 0.552 0.519 0.850 0.550 CB 1.273 21 residues pruned to eliminate duplicates Z: 21 17.509 1.838 0.630 0.572 0.950 0.650 CB 1.283 21 residues pruned to eliminate duplicates Z: 11 7.484 1.503 0.492 0.798 0.800 0.700 CB 1.016 9 residues pruned to eliminate duplicates Z: 10 6.629 1.487 0.268 0.839 0.889 0.778 CB 0.985 9 residues pruned to eliminate duplicates Z: 23 14.798 1.554 0.563 0.867 0.955 0.773 CB 0.996 23 residues pruned to eliminate duplicates Z: 10 11.390 1.583 0.974 0.570 0.889 0.778 CB 1.278 10 residues pruned to eliminate duplicates Z: 7 10.869 1.713 0.636 0.723 1.000 1.000 CB 1.295 7 residues pruned to eliminate duplicates Z: 14 9.514 1.680 0.501 0.594 0.923 0.615 CB 1.036 14 residues pruned to eliminate duplicates Z: 9 6.672 1.651 0.772 0.611 0.750 0.750 CB 0.967 9 residues pruned to eliminate duplicates Z: 19 13.275 1.667 0.630 0.814 0.889 0.889 CB 0.986 19 residues pruned to eliminate duplicates Z: 18 9.130 1.623 0.440 0.857 0.941 0.765 CB 0.742 18 residues pruned to eliminate duplicates Z: 14 5.607 1.504 0.568 0.555 0.769 0.615 CB 0.813 14 residues pruned to eliminate duplicates Z: 11 7.019 1.623 0.334 0.728 0.900 0.900 CB 0.928 11 residues pruned to eliminate duplicates Z: 10 11.430 1.722 0.674 0.911 1.000 1.000 CB 0.937 10 residues pruned to eliminate duplicates Z: 9 8.497 1.713 0.498 0.775 1.000 0.625 CB 0.919 9 residues pruned to eliminate duplicates Z: 12 9.516 1.746 0.742 0.740 0.909 0.727 CB 0.837 12 residues pruned to eliminate duplicates Z: 9 8.932 1.768 0.474 0.893 1.000 0.875 CB 0.870 9 residues pruned to eliminate duplicates Z: 14 8.215 1.680 0.471 0.629 0.846 0.692 CB 0.965 14 residues pruned to eliminate duplicates Z: 13 10.625 1.762 0.612 0.863 1.000 0.833 CB 0.792 13 residues pruned to eliminate duplicates Z: 12 11.409 1.729 0.564 0.798 1.000 0.727 CB 0.980 12 residues pruned to eliminate duplicates Z: 14 12.715 1.769 0.676 0.880 1.000 1.000 CB 0.862 14 residues pruned to eliminate duplicates Z: 14 11.936 1.782 0.612 0.879 1.000 0.923 CB 0.836 14 residues pruned to eliminate duplicates Z: 18 12.394 1.658 0.771 0.878 0.882 0.647 CB 0.842 17 residues pruned to eliminate duplicates Z: 14 9.166 1.740 0.507 0.838 0.923 0.769 CB 0.785 14 residues pruned to eliminate duplicates Z: 12 5.947 1.558 0.420 0.473 0.909 0.727 CB 0.917 12 residues pruned to eliminate duplicates Z: 7 4.069 1.576 0.220 0.375 1.000 0.667 CB 0.988 Z: 8 9.552 1.713 0.333 0.652 1.000 0.571 CA 1.373 15 residues pruned to eliminate duplicates Z: 6 7.861 1.719 0.473 0.550 1.000 0.600 CA 1.322 7 residues pruned to eliminate duplicates Z: 8 9.346 1.592 0.406 0.745 1.000 0.714 CA 1.267 8 residues pruned to eliminate duplicates Z: 9 9.933 1.654 0.290 0.675 1.000 0.750 CB 1.400 9 residues pruned to eliminate duplicates Z: 7 7.481 1.651 0.348 0.586 1.000 0.500 CA 1.264 7 residues pruned to eliminate duplicates Z: 13 9.535 1.605 0.458 0.583 0.917 0.500 CB 1.184 10 residues pruned to eliminate duplicates Z: 9 7.277 1.486 0.785 0.664 0.750 0.375 N 1.111 9 residues pruned to eliminate duplicates Z: 14 6.401 1.622 0.404 0.523 0.923 0.462 CB 0.826 14 residues pruned to eliminate duplicates Z: 14 6.231 1.532 0.018 0.494 0.923 0.462 CB 1.208 14 residues pruned to eliminate duplicates Z: 8 3.673 1.432 0.280 0.310 0.857 0.286 CB 1.091 6 1.877 1.253 0.086 0.529 0.800 0.400 CB 0.749 ? 6 1.473 1.255 0.084 0.463 0.800 0.400 CB 0.629 ? Z: 11 6.450 1.544 0.199 0.688 1.000 0.800 CB 0.928 8 residues pruned to eliminate duplicates Z: 10 8.271 1.642 0.430 0.771 0.889 0.556 CB 1.039 10 residues pruned to eliminate duplicates Z: 10 7.313 1.593 0.413 0.653 0.889 0.556 CB 1.056 10 residues pruned to eliminate duplicates Z: 10 7.088 1.609 0.311 0.667 1.000 0.667 CB 0.960 10 residues pruned to eliminate duplicates Z: 11 4.719 1.556 0.338 0.612 0.900 0.500 CB 0.717 11 residues pruned to eliminate duplicates Z: 8 7.988 1.629 0.748 0.841 0.857 0.714 CB 0.922 8 residues pruned to eliminate duplicates Z: 7 6.547 1.505 0.927 0.519 0.833 0.333 CB 1.085 6 residues pruned to eliminate duplicates Z: 6 4.712 1.391 0.714 0.707 1.000 0.400 CB 0.732 5 residues pruned to eliminate duplicates Z: 9 7.118 1.367 0.780 0.815 1.000 0.750 CB 0.787 6 residues pruned to eliminate duplicates Z: 9 6.056 1.316 0.594 0.859 1.000 0.750 CB 0.751 9 residues pruned to eliminate duplicates Z: 7 4.518 1.380 0.609 0.278 1.000 0.833 CB 1.067 7 residues pruned to eliminate duplicates Z: 18 16.125 1.723 0.379 0.877 0.941 0.529 CB 1.270 18 residues pruned to eliminate duplicates Z: 15 12.938 1.729 0.390 0.754 0.929 0.786 CB 1.235 15 residues pruned to eliminate duplicates Z: 9 5.245 1.532 0.609 0.304 1.000 0.500 CB 0.936 9 residues pruned to eliminate duplicates Z: 11 10.392 1.662 0.379 0.734 1.000 0.800 CB 1.162 11 residues pruned to eliminate duplicates Z: 13 6.585 1.566 0.551 0.482 0.750 0.583 CB 1.063 13 residues pruned to eliminate duplicates Z: 19 12.085 1.653 0.263 0.727 0.889 0.611 CB 1.251 19 residues pruned to eliminate duplicates Z: 19 18.075 1.717 0.574 0.745 0.889 0.833 CB 1.424 19 residues pruned to eliminate duplicates Z: 10 12.268 1.759 0.594 0.625 0.889 0.667 CB 1.458 10 residues pruned to eliminate duplicates Z: 19 13.849 1.644 0.654 0.719 0.944 0.667 CB 1.043 19 residues pruned to eliminate duplicates Z: 9 9.432 1.702 0.478 0.698 0.875 0.750 O 1.265 9 residues pruned to eliminate duplicates Z: 18 12.836 1.685 0.464 0.726 0.824 0.588 CB 1.249 18 residues pruned to eliminate duplicates Z: 17 18.614 1.722 0.552 0.863 1.000 0.812 CB 1.278 16 residues pruned to eliminate duplicates Z: 19 17.861 1.686 0.506 0.930 0.944 0.778 CB 1.228 19 residues pruned to eliminate duplicates Z: 21 15.287 1.691 0.525 0.686 0.900 0.650 CB 1.241 19 residues pruned to eliminate duplicates Z: 20 19.052 1.711 0.617 0.890 1.000 0.842 CB 1.137 20 residues pruned to eliminate duplicates Z: 18 19.592 1.740 0.533 0.927 1.000 0.765 CB 1.249 18 residues pruned to eliminate duplicates Z: 6 2.264 1.485 0.134 0.750 0.800 0.600 CB 0.601 6 residues pruned to eliminate duplicates Z: 14 15.910 1.764 0.752 0.881 1.000 0.923 CB 1.034 14 residues pruned to eliminate duplicates Z: 15 11.097 1.735 0.457 0.826 0.929 0.714 CB 0.953 15 residues pruned to eliminate duplicates Z: 19 11.381 1.595 0.553 0.715 0.944 0.667 CB 0.943 20 residues pruned to eliminate duplicates Z: 7 9.437 1.555 0.665 0.789 1.000 0.667 CB 1.155 8 residues pruned to eliminate duplicates Z: 7 9.065 1.565 0.639 0.834 1.000 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 13 14.144 1.700 0.505 0.909 1.000 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 14 12.488 1.657 0.574 0.811 1.000 0.692 CB 1.013 12 residues pruned to eliminate duplicates Z: 13 16.523 1.670 0.594 0.907 1.000 0.833 CB 1.273 13 residues pruned to eliminate duplicates Z: 12 16.074 1.700 0.554 0.894 1.000 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 18 12.955 1.719 0.582 0.641 0.824 0.647 CB 1.230 18 residues pruned to eliminate duplicates Z: 10 12.694 1.829 0.416 0.798 1.000 0.778 CB 1.259 10 residues pruned to eliminate duplicates Z: 14 19.638 1.864 0.609 0.760 1.000 0.769 CB 1.442 14 residues pruned to eliminate duplicates Z: 15 13.701 1.875 0.570 0.695 0.786 0.643 CB 1.325 15 residues pruned to eliminate duplicates Z: 12 17.197 1.827 0.654 0.890 1.000 0.727 CB 1.234 12 residues pruned to eliminate duplicates Z: 17 14.280 1.723 0.772 0.614 0.875 0.625 N 1.200 17 residues pruned to eliminate duplicates Z: 12 13.293 1.774 0.938 0.852 0.909 0.636 CB 0.949 12 residues pruned to eliminate duplicates Z: 15 13.719 1.806 0.798 0.568 0.857 0.500 CB 1.233 15 residues pruned to eliminate duplicates Z: 16 13.573 1.799 0.651 0.721 0.933 0.533 CB 1.035 16 residues pruned to eliminate duplicates Z: 16 11.829 1.702 0.792 0.685 0.933 0.600 CB 0.905 16 residues pruned to eliminate duplicates Z: 14 12.559 1.799 0.580 0.648 0.923 0.385 CB 1.157 14 residues pruned to eliminate duplicates Z: 20 14.859 1.796 0.654 0.616 0.895 0.526 CB 1.149 20 residues pruned to eliminate duplicates Z: 20 15.951 1.787 0.725 0.616 0.947 0.579 CB 1.123 20 residues pruned to eliminate duplicates Z: 21 13.135 1.808 0.444 0.636 0.850 0.700 CB 1.165 21 residues pruned to eliminate duplicates Z: 23 15.664 1.824 0.503 0.680 0.909 0.773 CB 1.135 23 residues pruned to eliminate duplicates Z: 10 6.912 1.772 0.297 0.573 0.889 0.556 CB 1.051 10 residues pruned to eliminate duplicates Z: 23 13.257 1.799 0.433 0.643 0.864 0.682 CB 1.111 31 residues pruned to eliminate duplicates Z: 12 6.785 1.748 0.340 0.549 0.818 0.636 CB 1.017 12 residues pruned to eliminate duplicates Z: 8 9.191 1.820 0.317 0.682 0.857 0.714 CB 1.431 8 residues pruned to eliminate duplicates Z: 7 10.236 1.832 0.446 0.686 1.000 1.000 CB 1.330 7 residues pruned to eliminate duplicates Z: 14 9.069 1.710 0.354 0.552 0.923 0.692 CB 1.118 14 residues pruned to eliminate duplicates Z: 25 15.559 1.774 0.538 0.664 0.917 0.667 CB 1.091 25 residues pruned to eliminate duplicates Z: 27 16.215 1.749 0.482 0.650 0.962 0.692 CB 1.110 27 residues pruned to eliminate duplicates Z: 6 2.347 1.464 0.283 0.369 0.600 0.400 O 1.072 Z: 6 4.012 1.382 0.367 0.390 1.000 0.400 O 1.067 6 residues pruned to eliminate duplicates Z: 6 4.202 1.417 0.245 0.628 1.000 0.800 N 0.944 6 residues pruned to eliminate duplicates Z: 6 2.511 1.400 -0.197 0.397 1.000 0.600 O 1.113 6 residues pruned to eliminate duplicates Z: 10 3.843 1.485 0.246 0.512 0.778 0.333 CB 0.880 10 residues pruned to eliminate duplicates Z: 9 5.130 1.569 0.540 0.571 0.750 0.500 CB 0.935 9 residues pruned to eliminate duplicates Z: 13 8.533 1.597 0.229 0.635 1.000 0.833 CB 1.106 10 residues pruned to eliminate duplicates Z: 9 9.957 1.533 0.623 0.847 1.000 0.750 CB 1.050 9 residues pruned to eliminate duplicates Z: 12 7.935 1.612 0.577 0.641 0.818 0.636 CB 1.007 12 residues pruned to eliminate duplicates Z: 19 8.325 1.536 0.194 0.537 0.889 0.611 CB 1.162 19 residues pruned to eliminate duplicates Z: 16 9.392 1.556 0.464 0.587 0.933 0.600 CB 1.049 13 residues pruned to eliminate duplicates Z: 10 10.896 1.605 0.702 0.770 1.000 0.889 CB 1.047 10 residues pruned to eliminate duplicates Z: 27 15.017 1.620 0.450 0.639 0.885 0.731 CB 1.244 31 residues pruned to eliminate duplicates Z: 9 5.753 1.557 0.306 0.635 1.000 0.875 CB 0.881 6 residues pruned to eliminate duplicates Z: 8 7.843 1.630 0.238 0.870 1.000 0.857 CB 1.072 8 residues pruned to eliminate duplicates Z: 8 5.795 1.720 0.149 0.681 1.000 0.714 CB 0.938 9 residues pruned to eliminate duplicates Z: 6 5.776 1.645 0.925 0.831 1.000 1.000 CB 0.613 6 residues pruned to eliminate duplicates Z: 9 8.127 1.637 0.490 0.668 1.000 0.375 CB 1.009 9 residues pruned to eliminate duplicates Z: 10 9.164 1.477 0.640 0.868 1.000 0.667 CB 0.921 10 residues pruned to eliminate duplicates Z: 15 6.279 1.408 0.493 0.529 0.857 0.500 CB 0.906 11 residues pruned to eliminate duplicates Z: 6 4.955 1.727 0.367 0.485 0.800 0.600 CB 1.190 Z: 9 3.963 1.346 0.402 0.499 0.875 0.625 CB 0.849 8 residues pruned to eliminate duplicates Z: 6 6.952 1.565 0.463 0.712 1.000 0.800 CB 1.121 7 residues pruned to eliminate duplicates Z: 11 11.640 1.558 0.464 0.870 1.000 0.800 CB 1.178 18 residues pruned to eliminate duplicates Z: 11 10.006 1.579 0.297 0.871 1.000 0.900 CA 1.127 11 residues pruned to eliminate duplicates Z: 12 10.005 1.643 0.283 0.766 0.909 0.818 N 1.244 12 residues pruned to eliminate duplicates Z: 8 7.433 1.713 0.527 0.561 0.857 0.714 CB 1.181 Z: 14 23.794 1.821 1.016 0.741 1.000 0.769 N 1.448 21 residues pruned to eliminate duplicates Z: 15 23.119 1.757 1.180 0.762 1.000 0.571 N 1.278 15 residues pruned to eliminate duplicates Z: 13 20.293 1.811 0.923 0.869 1.000 0.917 CB 1.228 13 residues pruned to eliminate duplicates Z: 21 20.917 1.812 0.759 0.656 0.950 0.650 CB 1.337 19 residues pruned to eliminate duplicates Z: 14 21.812 1.837 0.886 0.837 1.000 0.769 CB 1.306 14 residues pruned to eliminate duplicates Z: 20 14.983 1.760 0.902 0.542 0.789 0.526 CB 1.249 20 residues pruned to eliminate duplicates Z: 19 20.078 1.927 0.708 0.645 0.889 0.667 CB 1.413 19 residues pruned to eliminate duplicates Z: 16 20.034 1.750 0.947 0.696 1.000 0.667 CB 1.269 16 residues pruned to eliminate duplicates Z: 23 20.667 1.961 0.722 0.605 0.909 0.727 CB 1.299 23 residues pruned to eliminate duplicates Z: 26 18.076 1.854 0.564 0.557 0.960 0.720 CB 1.229 27 residues pruned to eliminate duplicates Z: 13 23.102 1.850 0.995 0.829 1.000 0.833 CB 1.359 13 residues pruned to eliminate duplicates Z: 18 15.582 1.908 0.699 0.597 0.765 0.647 CB 1.390 18 residues pruned to eliminate duplicates Z: 23 19.802 1.974 0.644 0.584 0.909 0.545 CB 1.321 24 residues pruned to eliminate duplicates Z: 8 8.315 1.566 0.540 0.592 1.000 0.429 O 1.193 8 residues pruned to eliminate duplicates Z: 24 19.168 1.932 0.629 0.537 0.870 0.522 CB 1.409 24 residues pruned to eliminate duplicates Z: 16 12.749 1.708 0.326 0.714 0.933 0.733 CB 1.283 16 residues pruned to eliminate duplicates Z: 17 8.111 1.721 0.188 0.628 0.875 0.562 CB 1.005 23 residues pruned to eliminate duplicates Z: 20 9.582 1.595 0.478 0.462 0.842 0.684 CB 1.151 9 residues pruned to eliminate duplicates Z: 9 17.745 1.771 0.746 0.887 1.000 0.875 CB 1.462 9 residues pruned to eliminate duplicates Z: 21 8.470 1.656 0.459 0.467 0.800 0.500 CB 1.013 21 residues pruned to eliminate duplicates Z: 17 8.827 1.708 0.341 0.512 0.812 0.562 CB 1.172 17 residues pruned to eliminate duplicates Z: 20 9.542 1.658 0.326 0.501 0.895 0.632 CB 1.112 20 residues pruned to eliminate duplicates Z: 22 8.892 1.638 0.584 0.417 0.762 0.524 CB 1.071 22 residues pruned to eliminate duplicates Z: 15 11.688 1.715 0.588 0.611 0.857 0.714 CB 1.205 15 residues pruned to eliminate duplicates Z: 12 11.452 1.610 0.543 0.707 0.909 0.727 CB 1.267 12 residues pruned to eliminate duplicates Z: 18 8.402 1.561 0.629 0.467 0.706 0.412 CB 1.174 7 residues pruned to eliminate duplicates Z: 12 15.145 1.688 0.549 0.915 0.909 0.636 CB 1.358 21 residues pruned to eliminate duplicates Z: 8 7.663 1.538 0.563 0.795 0.857 0.714 N 1.085 8 residues pruned to eliminate duplicates Z: 7 5.823 1.688 0.183 0.709 0.833 0.167 N 1.181 7 residues pruned to eliminate duplicates Z: 11 3.735 1.583 0.043 0.454 0.800 0.400 CB 0.937 11 residues pruned to eliminate duplicates Z: 12 7.055 1.667 0.531 0.522 0.909 0.364 CB 0.897 12 residues pruned to eliminate duplicates Z: 22 8.001 1.580 0.161 0.652 0.857 0.619 CB 0.963 22 residues pruned to eliminate duplicates Z: 6 3.818 1.396 0.452 0.396 0.800 0.400 CB 1.175 Z: 7 4.723 1.425 0.312 0.634 0.833 0.500 CB 1.092 6 residues pruned to eliminate duplicates Z: 8 2.887 1.423 0.229 0.430 0.571 0.143 O 1.174 8 residues pruned to eliminate duplicates Z: 10 3.991 1.491 0.542 0.469 0.556 0.000 CB 1.075 Z: 7 5.171 1.389 0.322 0.839 0.833 0.833 CB 1.031 10 residues pruned to eliminate duplicates Z: 16 8.498 1.438 0.493 0.696 0.867 0.600 N 0.986 21 residues pruned to eliminate duplicates Z: 16 12.003 1.458 0.577 0.840 0.867 0.667 N 1.160 16 residues pruned to eliminate duplicates Z: 21 12.754 1.521 0.388 0.870 1.000 0.600 CB 0.986 21 residues pruned to eliminate duplicates Z: 7 8.030 1.610 0.855 0.805 1.000 0.833 CB 0.841 7 residues pruned to eliminate duplicates Z: 15 5.607 1.532 0.450 0.510 0.714 0.429 N 0.935 15 residues pruned to eliminate duplicates Z: 8 6.625 1.598 0.468 0.711 0.857 0.571 CB 1.028 8 residues pruned to eliminate duplicates Z: 18 12.842 1.512 0.740 0.828 0.941 0.765 CB 0.948 25 residues pruned to eliminate duplicates Z: 14 12.826 1.565 0.725 0.893 1.000 0.923 CB 0.946 15 residues pruned to eliminate duplicates Z: 15 12.197 1.597 0.606 0.831 0.929 0.643 CB 1.028 14 residues pruned to eliminate duplicates Z: 11 7.744 1.592 0.661 0.800 0.800 0.500 CB 0.890 11 residues pruned to eliminate duplicates Z: 13 6.022 1.548 0.529 0.662 0.750 0.333 CB 0.843 13 residues pruned to eliminate duplicates Z: 6 4.261 1.538 0.533 0.646 0.800 0.400 CB 0.882 6 residues pruned to eliminate duplicates Z: 13 5.085 1.466 0.579 0.516 0.750 0.333 CB 0.832 9 residues pruned to eliminate duplicates Z: 10 12.832 1.724 0.320 0.918 1.000 1.000 CB 1.325 10 residues pruned to eliminate duplicates Z: 11 14.734 1.706 0.516 0.877 1.000 0.900 CB 1.309 11 residues pruned to eliminate duplicates Z: 10 11.193 1.763 0.202 0.883 1.000 1.000 CB 1.273 10 residues pruned to eliminate duplicates Z: 12 11.231 1.607 0.385 0.896 1.000 0.818 CB 1.089 12 residues pruned to eliminate duplicates Z: 10 9.800 1.684 0.267 0.821 0.889 0.778 CB 1.304 10 residues pruned to eliminate duplicates Z: 11 9.198 1.685 0.323 0.720 0.900 0.700 CB 1.189 11 residues pruned to eliminate duplicates Z: 12 9.949 1.641 0.565 0.706 0.909 0.636 CB 1.065 12 residues pruned to eliminate duplicates Z: 11 12.650 1.635 0.733 0.780 0.900 0.600 N 1.225 11 residues pruned to eliminate duplicates Z: 12 15.313 1.679 0.780 0.865 1.000 0.909 CB 1.132 12 residues pruned to eliminate duplicates Z: 12 10.545 1.675 0.565 0.807 0.909 0.727 CB 1.021 12 residues pruned to eliminate duplicates Z: 7 3.578 1.748 0.212 0.528 1.000 0.833 CB 0.670 Z: 7 5.917 1.645 -0.085 0.732 1.000 0.667 CB 1.303 11 residues pruned to eliminate duplicates Z: 12 16.317 1.775 0.527 0.833 1.000 0.818 CA 1.361 12 residues pruned to eliminate duplicates Z: 12 15.425 1.751 0.475 0.849 1.000 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 11 15.975 1.806 0.564 0.851 1.000 0.800 CB 1.324 11 residues pruned to eliminate duplicates Z: 13 12.086 1.801 0.674 0.725 1.000 0.583 CB 0.945 14 residues pruned to eliminate duplicates Z: 12 13.737 1.758 0.415 0.852 1.000 0.818 CB 1.231 12 residues pruned to eliminate duplicates Z: 14 10.127 1.724 0.554 0.656 0.846 0.462 CB 1.072 14 residues pruned to eliminate duplicates Z: 9 15.268 1.896 0.691 0.776 1.000 0.500 CB 1.320 9 residues pruned to eliminate duplicates Z: 23 8.669 1.684 0.390 0.418 0.727 0.364 CB 1.182 21 residues pruned to eliminate duplicates Z: 7 7.629 1.757 0.630 0.814 0.667 0.500 N 1.241 7 residues pruned to eliminate duplicates Z: 24 17.043 1.730 0.637 0.680 0.870 0.522 CB 1.222 24 residues pruned to eliminate duplicates Z: 15 10.592 1.671 0.594 0.671 0.857 0.714 CB 1.059 15 residues pruned to eliminate duplicates Z: 15 7.915 1.543 0.648 0.460 0.857 0.429 CB 1.011 15 residues pruned to eliminate duplicates Z: 11 6.490 1.577 0.516 0.571 0.900 0.600 CB 0.891 11 residues pruned to eliminate duplicates Z: 27 9.942 1.620 0.404 0.476 0.846 0.385 CB 1.038 27 residues pruned to eliminate duplicates Z: 19 15.602 1.707 0.620 0.631 0.944 0.667 CB 1.244 19 residues pruned to eliminate duplicates Z: 16 7.259 1.723 0.320 0.561 0.867 0.533 CB 0.896 16 residues pruned to eliminate duplicates Z: 10 6.847 1.658 0.177 0.564 1.000 0.333 N 1.099 10 residues pruned to eliminate duplicates Z: 9 6.357 1.642 0.613 0.415 0.750 0.375 N 1.237 9 residues pruned to eliminate duplicates Z: 9 12.698 1.848 0.818 0.719 1.000 0.500 CB 1.096 9 residues pruned to eliminate duplicates Z: 13 16.334 1.762 0.624 0.765 0.917 0.500 CB 1.421 13 residues pruned to eliminate duplicates Z: 14 12.026 1.717 0.579 0.562 1.000 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 16 17.492 1.778 0.542 0.742 1.000 0.667 CB 1.326 16 residues pruned to eliminate duplicates Z: 15 17.506 1.799 0.523 0.701 1.000 0.643 CB 1.421 15 residues pruned to eliminate duplicates Z: 21 13.440 1.680 0.638 0.528 0.900 0.500 CB 1.180 16 residues pruned to eliminate duplicates Z: 10 15.055 1.907 0.591 0.791 0.889 0.667 CA 1.442 10 residues pruned to eliminate duplicates Z: 13 18.215 1.827 0.606 0.807 1.000 0.667 CB 1.372 18 residues pruned to eliminate duplicates Z: 11 21.500 1.921 0.625 0.870 1.000 0.700 CB 1.590 12 residues pruned to eliminate duplicates Z: 12 11.317 1.678 0.355 0.786 0.818 0.727 CB 1.425 12 residues pruned to eliminate duplicates Z: 14 11.137 1.612 0.291 0.731 0.923 0.692 CB 1.307 14 residues pruned to eliminate duplicates Z: 14 14.745 1.698 0.656 0.760 0.923 0.615 CB 1.250 14 residues pruned to eliminate duplicates Z: 15 15.739 1.773 0.547 0.715 0.929 0.714 CB 1.360 15 residues pruned to eliminate duplicates Z: 16 13.036 1.627 0.648 0.484 1.000 0.267 CB 1.276 16 residues pruned to eliminate duplicates Z: 11 12.430 1.788 0.205 0.708 1.000 0.500 CB 1.510 11 residues pruned to eliminate duplicates Z: 12 11.999 1.619 0.525 0.644 0.909 0.636 CB 1.409 12 residues pruned to eliminate duplicates Z: 11 7.936 1.724 0.237 0.637 0.900 0.700 CB 1.150 11 residues pruned to eliminate duplicates Z: 11 13.218 1.804 0.304 0.838 1.000 0.800 CB 1.328 11 residues pruned to eliminate duplicates Z: 17 10.211 1.685 0.431 0.520 0.812 0.500 CB 1.278 17 residues pruned to eliminate duplicates Z: 16 9.630 1.713 0.477 0.586 0.800 0.533 CB 1.131 16 residues pruned to eliminate duplicates Z: 21 8.141 1.582 0.154 0.580 0.850 0.550 CB 1.086 24 residues pruned to eliminate duplicates Z: 7 9.877 1.585 0.563 0.826 1.000 0.833 N 1.228 7 residues pruned to eliminate duplicates Z: 7 5.187 1.352 0.611 0.522 1.000 0.333 O 0.952 7 residues pruned to eliminate duplicates Z: 11 5.639 1.430 0.488 0.579 0.800 0.400 N 0.971 11 residues pruned to eliminate duplicates Z: 12 9.545 1.509 0.617 0.650 0.909 0.273 CB 1.128 12 residues pruned to eliminate duplicates Z: 11 5.436 1.456 0.404 0.714 0.900 0.100 CB 0.770 11 residues pruned to eliminate duplicates Z: 8 7.045 1.530 0.595 0.725 0.857 0.714 CB 1.040 8 residues pruned to eliminate duplicates Z: 7 7.989 1.611 0.904 0.797 0.833 0.667 CB 0.983 7 residues pruned to eliminate duplicates Z: 14 9.745 1.515 0.572 0.744 0.923 0.538 CB 0.988 14 residues pruned to eliminate duplicates Z: 9 10.346 1.550 0.513 0.741 1.000 0.750 CA 1.257 9 residues pruned to eliminate duplicates Z: 8 8.496 1.563 0.581 0.771 1.000 0.857 CB 1.022 8 residues pruned to eliminate duplicates Z: 9 7.413 1.530 0.681 0.803 0.875 0.750 CB 0.894 9 residues pruned to eliminate duplicates Z: 7 4.842 1.406 0.700 0.545 0.833 0.500 CB 0.949 7 residues pruned to eliminate duplicates Z: 13 5.465 1.407 0.588 0.500 0.667 0.417 CB 1.059 13 residues pruned to eliminate duplicates Z: 16 10.021 1.566 0.544 0.791 1.000 0.600 CB 0.829 16 residues pruned to eliminate duplicates Z: 15 9.395 1.555 0.354 0.845 1.000 0.857 CB 0.886 15 residues pruned to eliminate duplicates Z: 9 6.031 1.484 0.167 0.713 0.875 0.625 O 1.161 9 residues pruned to eliminate duplicates Z: 7 5.117 1.559 0.518 0.724 0.833 0.667 CB 0.865 7 residues pruned to eliminate duplicates Z: 7 5.722 1.584 0.323 0.820 1.000 0.833 CB 0.844 7 residues pruned to eliminate duplicates Z: 8 4.388 1.531 0.468 0.593 0.857 0.571 CB 0.788 8 residues pruned to eliminate duplicates Z: 8 4.618 1.380 0.310 0.732 0.857 0.714 CB 0.914 8 residues pruned to eliminate duplicates Z: 9 5.770 1.522 0.436 0.702 0.875 0.500 CB 0.888 9 residues pruned to eliminate duplicates Z: 14 16.257 1.874 0.665 0.692 0.846 0.769 CB 1.432 14 residues pruned to eliminate duplicates Z: 21 10.831 1.650 0.287 0.539 0.850 0.650 CB 1.292 21 residues pruned to eliminate duplicates Z: 13 14.642 1.794 0.433 0.553 1.000 0.500 CB 1.561 13 residues pruned to eliminate duplicates Z: 14 20.407 1.873 0.579 0.755 1.000 0.615 CB 1.526 14 residues pruned to eliminate duplicates Z: 14 15.978 1.781 0.531 0.707 0.923 0.692 CB 1.460 13 residues pruned to eliminate duplicates Z: 13 22.129 1.897 0.667 0.880 1.000 0.750 CB 1.464 13 residues pruned to eliminate duplicates Z: 15 23.302 1.830 0.773 0.754 1.000 0.786 CB 1.530 15 residues pruned to eliminate duplicates Z: 14 17.556 1.769 0.461 0.853 0.923 0.769 CB 1.509 14 residues pruned to eliminate duplicates Z: 23 17.454 1.764 0.659 0.588 0.909 0.727 CB 1.286 23 residues pruned to eliminate duplicates Z: 20 17.331 1.748 0.651 0.651 0.947 0.632 CB 1.263 18 residues pruned to eliminate duplicates Z: 12 21.111 1.872 0.605 0.894 1.000 0.909 CB 1.520 12 residues pruned to eliminate duplicates Z: 17 18.216 1.645 1.024 0.632 0.938 0.625 N 1.288 17 residues pruned to eliminate duplicates Z: 21 12.629 1.699 0.747 0.571 0.800 0.500 CB 1.111 21 residues pruned to eliminate duplicates Z: 14 16.229 1.808 0.824 0.745 0.923 0.692 CB 1.187 14 residues pruned to eliminate duplicates Z: 6 5.503 1.865 0.114 0.548 0.800 0.600 CB 1.413 Z: 6 2.990 1.615 0.289 0.264 0.800 0.400 N 1.050 5 residues pruned to eliminate duplicates Z: 7 3.449 1.397 0.642 0.251 0.667 0.500 CA 1.226 Z: 6 3.116 1.543 0.609 0.403 0.800 0.800 N 0.777 Z: 6 4.425 1.500 0.758 0.343 0.800 0.400 N 1.113 5 residues pruned to eliminate duplicates Z: 7 4.915 1.247 0.950 0.717 0.833 0.667 O 0.813 Z: 7 3.857 1.280 0.491 0.880 1.000 0.833 O 0.598 6 residues pruned to eliminate duplicates Z: 8 4.984 1.412 0.403 0.727 0.857 0.714 N 0.904 6 residues pruned to eliminate duplicates Z: 10 6.763 1.442 0.391 0.823 1.000 1.000 CA 0.849 10 residues pruned to eliminate duplicates Z: 7 3.882 1.399 0.704 0.403 0.667 0.167 CB 1.105 7 residues pruned to eliminate duplicates Z: 9 4.585 1.565 -0.056 0.781 1.000 0.875 CB 0.857 9 residues pruned to eliminate duplicates Z: 7 4.487 1.562 0.070 0.789 1.000 0.833 CB 0.850 7 residues pruned to eliminate duplicates Z: 6 5.622 1.555 0.144 0.854 1.000 0.600 N 1.044 6 residues pruned to eliminate duplicates Z: 14 14.580 1.601 0.561 0.809 0.923 0.692 N 1.340 14 residues pruned to eliminate duplicates Z: 13 15.701 1.775 0.355 0.920 1.000 0.917 CB 1.327 12 residues pruned to eliminate duplicates Z: 14 13.660 1.723 0.418 0.839 0.923 0.769 CB 1.255 14 residues pruned to eliminate duplicates Z: 13 9.538 1.874 0.135 0.630 1.000 0.583 CB 1.145 13 residues pruned to eliminate duplicates Z: 9 9.392 1.841 0.024 0.719 1.000 0.750 CB 1.444 9 residues pruned to eliminate duplicates Z: 12 10.849 1.895 0.105 0.808 1.000 0.818 CB 1.194 12 residues pruned to eliminate duplicates Z: 9 14.949 1.950 0.540 0.854 0.875 0.875 CB 1.485 9 residues pruned to eliminate duplicates Z: 11 11.594 1.924 0.361 0.723 0.900 0.800 CB 1.272 11 residues pruned to eliminate duplicates Z: 25 13.240 1.699 0.524 0.500 0.875 0.583 CB 1.192 15 residues pruned to eliminate duplicates Z: 11 19.081 1.897 0.582 0.888 1.000 1.000 CB 1.449 11 residues pruned to eliminate duplicates Z: 14 12.443 1.752 0.257 0.763 0.923 0.923 N 1.344 14 residues pruned to eliminate duplicates Z: 16 12.235 1.887 0.327 0.639 0.933 0.667 CB 1.187 16 residues pruned to eliminate duplicates Z: 16 12.386 1.871 0.401 0.633 1.000 0.867 CB 1.077 12 residues pruned to eliminate duplicates Z: 13 17.891 1.889 0.534 0.904 1.000 0.917 CB 1.270 13 residues pruned to eliminate duplicates Z: 15 12.023 1.781 0.536 0.778 1.000 0.714 CB 0.919 15 residues pruned to eliminate duplicates Z: 17 14.441 1.769 0.653 0.762 1.000 0.812 CB 0.978 17 residues pruned to eliminate duplicates Z: 13 16.908 1.818 0.805 0.826 1.000 0.667 CB 1.122 13 residues pruned to eliminate duplicates Z: 12 16.666 1.884 0.732 0.902 1.000 0.909 CB 1.099 12 residues pruned to eliminate duplicates Z: 12 16.444 1.871 0.492 0.910 1.000 0.909 CB 1.260 12 residues pruned to eliminate duplicates Z: 25 13.107 1.647 0.743 0.565 0.875 0.625 CB 1.000 17 residues pruned to eliminate duplicates Z: 13 21.301 1.844 0.801 0.903 1.000 0.667 CB 1.320 13 residues pruned to eliminate duplicates Z: 13 15.263 1.849 0.473 0.923 1.000 1.000 CB 1.137 23 residues pruned to eliminate duplicates Z: 15 19.222 1.740 0.647 0.934 1.000 0.857 CB 1.250 15 residues pruned to eliminate duplicates Z: 15 16.572 1.811 0.798 0.762 0.929 0.714 CB 1.161 15 residues pruned to eliminate duplicates Z: 14 14.893 1.820 0.602 0.918 1.000 0.923 CB 0.999 14 residues pruned to eliminate duplicates Z: 15 16.948 1.791 0.669 0.918 1.000 0.929 CB 1.069 15 residues pruned to eliminate duplicates Z: 11 11.737 1.701 0.961 0.549 0.900 0.500 CB 1.179 11 residues pruned to eliminate duplicates Z: 11 13.508 1.855 0.644 0.752 1.000 0.600 CB 1.119 11 residues pruned to eliminate duplicates Z: 12 8.584 1.723 0.510 0.763 1.000 0.545 CB 0.788 12 residues pruned to eliminate duplicates Z: 12 12.621 1.854 0.644 0.721 1.000 0.364 CB 1.023 12 residues pruned to eliminate duplicates Z: 11 13.199 1.830 0.782 0.710 1.000 0.400 CB 1.058 11 residues pruned to eliminate duplicates Z: 20 11.704 1.680 0.692 0.612 0.895 0.737 CB 0.949 20 residues pruned to eliminate duplicates Z: 19 11.781 1.747 0.878 0.667 0.889 0.611 CB 0.816 19 residues pruned to eliminate duplicates Z: 16 10.405 1.808 0.403 0.560 0.867 0.667 CB 1.153 16 residues pruned to eliminate duplicates Z: 18 11.158 1.794 0.529 0.577 0.824 0.647 CB 1.112 18 residues pruned to eliminate duplicates Z: 22 12.998 1.678 0.650 0.498 0.905 0.619 CB 1.134 22 residues pruned to eliminate duplicates Z: 19 11.653 1.731 0.593 0.551 0.944 0.722 CB 1.004 19 residues pruned to eliminate duplicates Z: 17 9.041 1.709 0.669 0.519 0.875 0.750 CB 0.889 17 residues pruned to eliminate duplicates 979 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 11 D: 6 E: 7 F: 6 G: 20 H: 12 I: 11 J: 8 K: 11 L: 28 M: 21 N: 7 O: 27 P: 42 Q: 18 R: 47 S: 27 T: 11 U: 17 V: 14 W: 7 X: 19 Y: 6 Z: 16 Z: 23 Z: 16 Z: 10 Z: 25 Z: 38 Z: 15 Z: 14 Z: 7 Z: 13 Z: 21 Z: 27 Z: 12 Z: 15 Z: 26 Z: 12 Z: 8 Z: 25 Z: 17 Z: 24 Z: 11 Z: 28 Z: 28 Z: 48 Z: 18 Z: 7 Z: 11 Z: 7 Z: 14 Z: 13 Z: 32 CC for partial structure against native data = 31.33 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.409, Connect. = 0.658 for dens.mod. cycle 1 = 0.300, Contrast = 0.473, Connect. = 0.684 for dens.mod. cycle 2 = 0.300, Contrast = 0.546, Connect. = 0.715 for dens.mod. cycle 3 = 0.300, Contrast = 0.554, Connect. = 0.719 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.722 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.725 for dens.mod. cycle 6 = 0.300, Contrast = 0.572, Connect. = 0.728 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.576, Connect. = 0.731 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.732 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4795 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1122 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 15.967 1.839 0.651 0.798 0.909 0.727 CB 1.343 B: 9 10.187 2.060 0.493 0.858 0.875 0.625 CB 0.986 C: 12 19.875 1.903 0.872 0.880 0.909 0.727 CB 1.341 12 residues pruned to eliminate duplicates D: 14 17.632 1.703 0.844 0.841 1.000 0.615 N 1.161 E: 11 21.245 1.881 0.807 0.904 1.000 0.900 N 1.407 F: 11 16.383 1.800 0.752 0.858 1.000 0.900 CB 1.210 11 residues pruned to eliminate duplicates G: 20 22.475 1.733 0.888 0.907 0.947 0.737 CB 1.182 H: 10 18.474 1.777 0.576 0.898 1.000 0.889 CA 1.572 I: 13 12.804 1.595 0.449 0.858 0.917 0.667 CB 1.285 J: 19 13.753 1.779 0.471 0.506 0.889 0.389 CB 1.385 11 residues pruned to eliminate duplicates K: 11 13.500 1.933 0.612 0.836 0.800 0.400 CB 1.282 9 residues pruned to eliminate duplicates L: 13 18.433 1.858 0.723 0.827 0.917 0.750 N 1.367 13 residues pruned to eliminate duplicates M: 13 18.130 1.853 0.499 0.884 1.000 0.833 CB 1.361 N: 11 11.253 1.875 0.295 0.846 1.000 0.800 CB 1.088 10 residues pruned to eliminate duplicates O: 11 17.221 1.867 1.053 0.849 0.900 0.700 CB 1.171 11 residues pruned to eliminate duplicates P: 11 9.468 1.562 0.781 0.623 0.700 0.500 O 1.370 Q: 9 12.452 1.749 0.668 0.874 1.000 0.625 CB 1.098 R: 12 14.920 1.754 0.423 0.899 1.000 0.909 CB 1.288 S: 16 6.868 1.552 0.161 0.752 0.867 0.800 CB 0.907 T: 17 19.653 1.707 0.643 0.862 1.000 0.750 CB 1.287 9 residues pruned to eliminate duplicates U: 6 5.258 1.484 0.440 0.722 0.800 0.800 CB 1.125 V: 20 20.387 1.726 0.838 0.891 0.947 0.842 CB 1.118 20 residues pruned to eliminate duplicates W: 11 15.178 1.925 0.510 0.740 0.900 0.800 CB 1.480 14 residues pruned to eliminate duplicates X: 27 25.202 1.745 0.889 0.896 0.923 0.654 CB 1.164 27 residues pruned to eliminate duplicates Y: 9 4.086 1.630 0.264 0.303 0.750 0.750 CB 1.165 Z: 12 16.874 1.789 0.611 0.880 1.000 0.909 CB 1.279 Z: 9 5.816 1.632 0.731 0.367 0.750 0.375 N 1.119 Z: 13 16.429 1.839 0.895 0.797 0.833 0.667 CB 1.259 12 residues pruned to eliminate duplicates Z: 10 12.254 1.915 0.750 0.650 1.000 0.778 CB 1.059 Z: 11 13.110 1.837 0.115 0.830 1.000 0.600 CB 1.522 11 residues pruned to eliminate duplicates Z: 7 9.391 1.897 0.661 0.772 1.000 0.333 CB 0.957 7 residues pruned to eliminate duplicates Z: 13 19.674 1.846 0.722 0.842 1.000 0.833 CB 1.331 13 residues pruned to eliminate duplicates Z: 18 16.934 1.723 0.676 0.913 0.882 0.824 CB 1.141 18 residues pruned to eliminate duplicates Z: 11 17.753 1.764 0.638 0.915 1.000 0.900 CB 1.374 10 residues pruned to eliminate duplicates Z: 11 10.649 1.616 0.654 0.863 1.000 0.500 CB 0.924 11 residues pruned to eliminate duplicates Z: 6 2.959 1.739 0.104 0.354 0.600 0.400 O 1.345 6 residues pruned to eliminate duplicates Z: 12 12.701 1.841 0.139 0.827 1.000 0.727 CB 1.376 Z: 12 12.102 1.841 0.052 0.891 1.000 0.909 CB 1.354 12 residues pruned to eliminate duplicates Z: 11 17.894 1.726 0.611 0.888 1.000 0.900 CB 1.466 Z: 7 7.683 1.699 0.387 0.861 1.000 0.667 CB 0.978 Z: 13 7.012 1.588 0.138 0.846 1.000 1.000 CB 0.832 13 residues pruned to eliminate duplicates Z: 13 13.662 1.735 0.872 0.723 0.917 0.750 CB 1.084 13 residues pruned to eliminate duplicates Z: 13 19.094 1.802 0.625 0.908 1.000 0.750 CB 1.337 9 residues pruned to eliminate duplicates Z: 12 16.572 1.705 0.827 0.913 0.909 0.727 N 1.249 6 residues pruned to eliminate duplicates Z: 13 7.192 1.758 0.687 0.861 1.000 0.833 CB 0.514 Z: 7 6.482 1.764 0.791 0.621 0.833 0.333 CB 0.897 Z: 12 13.911 1.663 0.814 0.827 0.818 0.636 CB 1.280 12 residues pruned to eliminate duplicates Z: 12 14.852 1.846 0.366 0.816 1.000 0.636 CB 1.349 12 residues pruned to eliminate duplicates Z: 10 9.903 1.609 0.466 0.836 1.000 0.556 CB 1.048 9 residues pruned to eliminate duplicates Z: 12 11.167 1.711 0.889 0.773 0.727 0.545 N 1.125 12 residues pruned to eliminate duplicates Z: 11 13.122 1.831 0.648 0.873 0.900 0.700 CB 1.113 11 residues pruned to eliminate duplicates Z: 11 15.354 1.860 0.312 0.858 1.000 0.900 CB 1.466 12 residues pruned to eliminate duplicates Z: 12 11.145 1.835 0.189 0.869 1.000 0.818 CB 1.125 12 residues pruned to eliminate duplicates Z: 9 3.738 1.645 0.443 0.600 0.500 0.375 N 1.013 9 residues pruned to eliminate duplicates Z: 19 8.724 1.678 0.369 0.321 1.000 0.389 CB 1.091 16 residues pruned to eliminate duplicates Z: 10 16.047 2.033 0.537 0.888 1.000 0.778 CB 1.233 10 residues pruned to eliminate duplicates Z: 13 19.346 1.809 0.621 0.893 1.000 0.833 CB 1.366 12 residues pruned to eliminate duplicates Z: 12 12.093 1.794 0.626 0.817 0.909 0.636 CB 1.044 Z: 6 2.792 1.731 0.684 0.160 0.600 0.200 CB 1.081 Z: 21 16.359 1.739 0.618 0.628 0.900 0.550 CB 1.280 13 residues pruned to eliminate duplicates Z: 9 14.071 1.836 0.677 0.898 1.000 0.875 CB 1.156 9 residues pruned to eliminate duplicates Z: 12 15.629 1.651 0.698 0.813 1.000 0.636 CA 1.280 11 residues pruned to eliminate duplicates Z: 11 16.314 1.839 0.600 0.845 0.900 0.700 N 1.448 Z: 11 13.298 1.901 0.515 0.775 0.900 0.800 CB 1.273 13 residues pruned to eliminate duplicates Z: 9 15.618 1.742 0.954 0.878 1.000 0.750 CB 1.177 Z: 22 14.177 1.628 0.489 0.917 1.000 0.905 CB 0.901 Z: 10 14.292 1.684 0.436 0.861 1.000 0.889 CB 1.447 10 residues pruned to eliminate duplicates Z: 17 14.046 1.869 0.355 0.680 1.000 0.688 CB 1.175 Z: 10 4.894 1.741 0.253 0.314 0.889 0.444 CB 1.033 Z: 6 10.391 1.959 1.066 0.819 0.800 0.800 CB 1.088 6 residues pruned to eliminate duplicates Z: 10 8.372 1.687 -0.100 0.842 1.000 0.778 CB 1.369 Z: 20 11.116 1.670 0.316 0.906 1.000 0.895 CB 0.825 20 residues pruned to eliminate duplicates Z: 9 11.162 1.775 0.386 0.778 0.875 0.875 CB 1.435 Z: 11 21.617 1.873 0.873 0.878 1.000 0.900 CB 1.414 12 residues pruned to eliminate duplicates Z: 12 13.018 1.831 0.208 0.872 1.000 0.818 CB 1.294 12 residues pruned to eliminate duplicates Z: 6 2.978 1.772 -0.103 0.507 0.800 0.400 CB 1.041 Z: 26 20.706 1.688 0.563 0.880 0.960 0.920 CB 1.185 26 residues pruned to eliminate duplicates Z: 15 13.823 1.621 0.588 0.799 0.929 0.714 CB 1.190 Z: 14 19.760 1.730 0.808 0.897 1.000 0.923 CB 1.254 14 residues pruned to eliminate duplicates Z: 10 3.364 1.420 0.265 0.386 0.778 0.444 CB 0.906 Z: 15 11.346 1.792 0.679 0.813 0.929 0.714 CB 0.826 Z: 13 16.800 1.751 0.417 0.895 1.000 0.917 CB 1.401 14 residues pruned to eliminate duplicates Z: 7 5.350 1.388 0.481 0.703 1.000 0.667 CB 0.883 Z: 9 6.263 1.768 0.152 0.844 1.000 0.625 CB 0.809 9 residues pruned to eliminate duplicates Z: 19 17.049 1.996 0.507 0.530 0.889 0.500 CB 1.459 16 residues pruned to eliminate duplicates Z: 13 7.627 1.635 0.393 0.909 1.000 0.667 CB 0.686 Z: 13 17.623 1.652 0.559 0.866 1.000 0.833 N 1.446 13 residues pruned to eliminate duplicates Z: 23 16.559 1.896 0.369 0.568 0.955 0.455 CB 1.335 20 residues pruned to eliminate duplicates Z: 10 14.878 1.932 0.716 0.873 0.889 0.778 CB 1.226 10 residues pruned to eliminate duplicates Z: 12 13.724 1.762 0.542 0.899 1.000 0.909 CB 1.089 12 residues pruned to eliminate duplicates Z: 6 2.663 1.662 0.302 0.789 1.000 0.400 CB 0.427 Z: 9 13.361 1.658 0.695 0.820 1.000 0.625 CB 1.273 6 0.883 1.449 -0.051 0.300 0.600 0.600 CB 0.598 ? Z: 15 8.933 1.763 0.393 0.402 0.786 0.429 CB 1.371 15 residues pruned to eliminate duplicates Z: 13 12.413 1.669 0.189 0.916 1.000 0.917 CB 1.275 Z: 15 12.899 1.794 0.621 0.908 1.000 0.714 CB 0.842 15 residues pruned to eliminate duplicates Z: 10 12.347 1.744 0.322 0.818 0.889 0.778 CB 1.524 10 residues pruned to eliminate duplicates Z: 10 14.396 1.799 0.712 0.856 0.889 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 16 12.238 1.569 0.628 0.907 1.000 0.867 CB 0.879 10 residues pruned to eliminate duplicates Z: 10 11.509 1.783 0.408 0.874 1.000 0.889 CB 1.112 9 residues pruned to eliminate duplicates Z: 9 8.329 1.624 0.667 0.786 1.000 0.625 CB 0.846 Z: 14 20.937 1.895 0.536 0.930 1.000 0.923 CB 1.395 15 residues pruned to eliminate duplicates 9 1.645 1.575 0.421 0.227 0.750 0.625 CB 0.476 ? Z: 13 12.191 1.787 0.244 0.905 1.000 1.000 CB 1.127 12 residues pruned to eliminate duplicates Z: 11 8.969 1.567 0.249 0.859 0.900 0.900 O 1.185 Z: 10 11.244 1.808 0.618 0.799 0.889 0.667 CB 1.110 10 residues pruned to eliminate duplicates Z: 6 3.698 1.663 0.641 0.489 0.600 0.400 CB 1.021 6 residues pruned to eliminate duplicates Z: 27 23.959 1.692 0.643 0.904 1.000 0.538 CB 1.205 27 residues pruned to eliminate duplicates Z: 8 7.953 1.524 0.271 0.872 1.000 1.000 CB 1.131 Z: 15 7.725 1.519 0.298 0.545 0.857 0.571 CB 1.169 15 residues pruned to eliminate duplicates Z: 15 11.849 1.715 0.287 0.834 1.000 0.929 CB 1.076 13 residues pruned to eliminate duplicates Z: 11 17.078 1.873 0.842 0.872 0.900 0.500 CB 1.268 11 residues pruned to eliminate duplicates Z: 12 13.038 1.817 0.247 0.923 1.000 1.000 CB 1.219 13 residues pruned to eliminate duplicates Z: 11 15.458 1.824 0.760 0.900 1.000 1.000 CB 1.088 11 residues pruned to eliminate duplicates Z: 6 3.055 1.748 0.283 0.295 1.000 0.400 CB 0.766 Z: 11 15.446 1.818 0.447 0.891 1.000 0.800 CB 1.335 11 residues pruned to eliminate duplicates Z: 12 9.794 1.808 -0.066 0.904 1.000 0.909 CB 1.246 12 residues pruned to eliminate duplicates Z: 15 13.173 1.591 0.443 0.907 0.929 0.714 CB 1.173 10 residues pruned to eliminate duplicates Z: 17 11.672 1.799 0.545 0.519 0.938 0.438 CB 1.099 17 residues pruned to eliminate duplicates Z: 8 10.329 1.886 0.017 0.880 1.000 0.714 CB 1.474 8 residues pruned to eliminate duplicates Z: 12 17.837 1.823 0.742 0.844 1.000 0.727 CB 1.260 12 residues pruned to eliminate duplicates Z: 13 13.153 1.621 0.790 0.839 1.000 0.917 CB 0.977 Z: 12 15.207 1.764 0.708 0.869 0.818 0.818 CB 1.358 12 residues pruned to eliminate duplicates Z: 14 13.904 1.744 0.682 0.835 1.000 0.692 CB 0.985 12 residues pruned to eliminate duplicates Z: 17 14.982 1.851 0.564 0.691 0.938 0.812 CB 1.159 17 residues pruned to eliminate duplicates Z: 20 7.828 1.606 0.613 0.410 0.684 0.474 N 1.113 20 residues pruned to eliminate duplicates Z: 12 15.672 1.612 0.843 0.850 0.909 0.818 CB 1.296 11 residues pruned to eliminate duplicates Z: 11 8.525 1.900 -0.168 0.903 1.000 0.900 CB 1.216 11 residues pruned to eliminate duplicates Z: 18 14.183 1.825 0.576 0.654 0.941 0.765 CB 1.101 18 residues pruned to eliminate duplicates Z: 9 4.885 1.598 0.462 0.376 0.875 0.625 CB 0.964 5 residues pruned to eliminate duplicates Z: 14 18.689 1.762 0.685 0.821 1.000 0.615 CB 1.322 14 residues pruned to eliminate duplicates Z: 12 9.358 1.560 0.445 0.900 1.000 0.545 CB 0.894 Z: 6 4.561 1.716 0.786 0.299 0.800 0.600 CB 1.042 Z: 10 14.329 1.761 0.461 0.873 1.000 0.778 CB 1.352 10 residues pruned to eliminate duplicates Z: 14 11.772 1.688 0.178 0.939 1.000 1.000 CB 1.142 13 residues pruned to eliminate duplicates Z: 7 6.858 1.914 -0.130 0.796 1.000 0.833 CB 1.297 7 residues pruned to eliminate duplicates Z: 15 16.054 1.906 0.439 0.882 1.000 0.857 CB 1.132 15 residues pruned to eliminate duplicates Z: 6 2.870 1.514 0.302 0.432 0.800 0.600 CB 0.873 Z: 11 6.297 1.585 0.742 0.404 0.800 0.500 CB 0.997 Z: 7 3.430 1.514 0.285 0.462 0.833 0.500 CB 0.898 7 residues pruned to eliminate duplicates Z: 11 12.783 1.911 0.087 0.890 1.000 0.900 CB 1.399 11 residues pruned to eliminate duplicates Z: 10 7.748 1.620 0.497 0.487 0.889 0.444 N 1.214 7 residues pruned to eliminate duplicates Z: 20 7.446 1.698 0.141 0.509 0.842 0.474 CB 1.038 13 residues pruned to eliminate duplicates Z: 12 14.315 1.762 0.935 0.860 1.000 0.727 CB 0.931 12 residues pruned to eliminate duplicates Z: 11 16.660 1.865 0.704 0.872 1.000 0.900 CB 1.208 11 residues pruned to eliminate duplicates Z: 9 10.281 1.580 0.413 0.841 0.875 0.750 N 1.388 8 residues pruned to eliminate duplicates Z: 6 3.932 1.200 0.635 0.753 0.800 0.600 N 0.894 Z: 9 6.341 1.474 0.434 0.857 1.000 1.000 CB 0.781 Z: 11 7.135 1.666 0.610 0.834 0.900 0.700 CB 0.701 11 residues pruned to eliminate duplicates Z: 8 4.975 1.504 0.304 0.437 1.000 0.857 CB 1.023 Z: 11 3.888 1.725 0.730 0.316 0.500 0.300 CB 1.010 Z: 19 13.703 1.634 0.385 0.841 0.944 0.667 CB 1.127 14 residues pruned to eliminate duplicates Z: 8 4.775 1.644 0.392 0.556 0.857 0.714 CB 0.871 Z: 11 14.488 1.795 0.641 0.888 1.000 0.700 CB 1.120 11 residues pruned to eliminate duplicates Z: 12 16.074 1.746 0.488 0.853 1.000 0.818 CB 1.378 12 residues pruned to eliminate duplicates Z: 11 13.675 1.599 0.880 0.772 0.900 0.900 O 1.256 11 residues pruned to eliminate duplicates Z: 13 9.051 1.763 0.139 0.871 0.917 0.750 CB 1.035 13 residues pruned to eliminate duplicates Z: 6 2.864 1.708 0.032 0.524 0.600 0.600 CB 1.183 3 residues pruned to eliminate duplicates Z: 21 14.576 1.622 0.236 0.918 1.000 1.000 CB 1.146 19 residues pruned to eliminate duplicates Z: 7 6.466 1.420 0.601 0.748 1.000 0.833 N 0.930 Z: 6 6.147 1.667 0.218 0.793 1.000 0.600 CB 1.047 Z: 6 2.496 1.826 0.528 0.835 0.800 0.800 CB 0.375 Z: 14 3.809 1.572 0.353 0.268 0.692 0.385 CB 0.934 12 residues pruned to eliminate duplicates Z: 12 6.131 1.462 0.663 0.535 0.909 0.727 CB 0.808 Z: 6 4.369 1.459 0.270 0.648 0.800 0.800 N 1.149 Z: 22 14.959 1.835 0.534 0.512 0.810 0.667 CB 1.415 40 residues pruned to eliminate duplicates Z: 10 4.920 1.414 0.366 0.496 0.889 0.444 CB 0.959 Z: 11 10.590 1.826 0.017 0.892 1.000 0.800 CB 1.295 11 residues pruned to eliminate duplicates Z: 6 2.396 1.516 -0.142 0.289 0.800 0.400 CB 1.305 Z: 12 16.805 1.905 0.463 0.849 1.000 0.818 CB 1.347 12 residues pruned to eliminate duplicates Z: 20 13.989 1.790 0.495 0.584 0.947 0.684 CB 1.167 14 residues pruned to eliminate duplicates Z: 17 4.756 1.556 0.383 0.278 0.688 0.312 CB 1.033 Z: 13 12.238 1.627 0.542 0.880 1.000 0.833 CB 1.020 12 residues pruned to eliminate duplicates Z: 19 17.638 1.719 0.652 0.898 1.000 0.889 CB 1.047 19 residues pruned to eliminate duplicates Z: 15 16.252 1.753 0.756 0.900 0.857 0.571 CB 1.176 Z: 7 2.625 1.485 0.185 0.342 0.833 0.333 N 0.868 7 residues pruned to eliminate duplicates Z: 14 6.926 1.738 0.419 0.388 0.846 0.615 CB 1.037 14 residues pruned to eliminate duplicates Z: 6 4.092 1.581 0.633 0.294 1.000 0.400 CB 0.893 6 residues pruned to eliminate duplicates Z: 12 13.959 1.733 0.514 0.814 0.909 0.727 N 1.342 12 residues pruned to eliminate duplicates Z: 12 6.904 1.510 0.085 0.876 0.909 0.727 O 1.015 12 residues pruned to eliminate duplicates Z: 26 15.009 1.764 0.560 0.635 0.920 0.560 CB 1.044 13 residues pruned to eliminate duplicates 8 1.819 1.307 0.398 0.216 0.571 0.429 CB 0.920 ? Z: 6 3.298 1.323 0.688 0.372 0.800 0.600 N 0.947 Z: 8 4.073 1.605 0.452 0.332 0.714 0.429 CB 1.111 Z: 8 5.252 1.368 0.268 0.829 0.857 0.857 O 1.005 Z: 11 4.913 1.697 0.643 0.246 0.700 0.400 CB 1.067 Z: 12 14.301 1.635 0.462 0.855 1.000 0.818 CB 1.331 11 residues pruned to eliminate duplicates Z: 11 7.657 1.496 0.590 0.862 0.800 0.600 CB 0.934 Z: 11 16.729 1.812 0.354 0.901 1.000 0.900 N 1.539 11 residues pruned to eliminate duplicates Z: 17 9.231 1.443 0.702 0.802 0.625 0.500 N 1.154 17 residues pruned to eliminate duplicates Z: 11 14.768 1.732 0.426 0.893 1.000 0.800 N 1.358 11 residues pruned to eliminate duplicates Z: 17 13.197 1.827 0.525 0.634 1.000 0.750 CB 1.043 17 residues pruned to eliminate duplicates Z: 8 7.041 1.708 0.496 0.694 1.000 0.857 CB 0.872 Z: 12 8.649 1.490 0.295 0.866 0.909 0.727 O 1.088 12 residues pruned to eliminate duplicates Z: 8 2.077 1.538 0.650 0.223 0.571 0.286 N 0.749 Z: 11 12.509 1.694 0.293 0.872 1.000 0.800 N 1.316 11 residues pruned to eliminate duplicates Z: 9 8.061 1.631 0.694 0.447 1.000 0.500 CB 1.090 13 residues pruned to eliminate duplicates Z: 9 5.166 1.571 0.206 0.803 0.750 0.750 CB 0.986 9 residues pruned to eliminate duplicates Z: 8 5.659 1.516 0.350 0.794 0.857 0.857 CB 0.943 Z: 11 16.725 1.889 0.658 0.913 1.000 0.900 CB 1.195 11 residues pruned to eliminate duplicates Z: 7 3.126 1.556 0.619 0.305 0.833 0.333 CB 0.755 Z: 15 12.726 1.788 0.713 0.715 0.929 0.714 CB 0.984 15 residues pruned to eliminate duplicates Z: 10 8.871 1.720 0.059 0.870 1.000 0.778 CB 1.184 Z: 21 18.306 1.691 0.578 0.909 1.000 0.950 CB 1.089 22 residues pruned to eliminate duplicates Z: 12 18.182 1.909 0.629 0.783 1.000 0.727 CB 1.373 12 residues pruned to eliminate duplicates Z: 9 6.027 1.754 0.015 0.803 0.875 0.625 CB 1.051 9 residues pruned to eliminate duplicates Z: 12 10.462 1.465 0.672 0.900 0.818 0.636 CB 1.125 12 residues pruned to eliminate duplicates Z: 20 11.204 1.822 0.429 0.565 0.895 0.684 CB 1.036 16 residues pruned to eliminate duplicates Z: 19 13.718 2.013 0.387 0.518 0.833 0.722 CB 1.365 19 residues pruned to eliminate duplicates Z: 7 3.846 1.610 -0.058 0.599 1.000 0.667 CB 0.942 Z: 10 12.320 1.898 0.431 0.792 0.778 0.556 CB 1.505 10 residues pruned to eliminate duplicates Z: 10 7.099 1.521 0.522 0.904 1.000 1.000 CB 0.728 Z: 11 9.246 1.817 -0.109 0.873 1.000 0.900 CB 1.316 11 residues pruned to eliminate duplicates Z: 7 6.785 1.636 0.531 0.799 0.833 0.833 CB 1.021 Z: 9 8.813 1.677 0.090 0.865 1.000 0.750 CB 1.248 9 residues pruned to eliminate duplicates Z: 6 5.145 1.806 0.550 0.814 1.000 1.000 CB 0.626 Z: 16 13.090 1.652 0.450 0.906 1.000 0.667 CB 1.004 Z: 11 13.465 1.687 0.336 0.899 1.000 1.000 CB 1.351 11 residues pruned to eliminate duplicates Z: 11 16.524 1.678 0.816 0.857 1.000 0.900 N 1.264 12 residues pruned to eliminate duplicates Z: 15 5.399 1.574 0.261 0.357 0.857 0.500 CB 0.989 15 residues pruned to eliminate duplicates Z: 8 2.186 1.437 0.610 0.282 0.571 0.143 CB 0.799 Z: 11 10.685 1.867 0.329 0.849 1.000 0.600 CB 1.009 11 residues pruned to eliminate duplicates Z: 10 17.365 1.861 0.546 0.916 1.000 0.889 CA 1.421 10 residues pruned to eliminate duplicates Z: 6 5.064 1.656 0.586 0.854 1.000 0.800 CB 0.637 Z: 12 12.134 1.664 0.874 0.862 0.818 0.364 CB 1.053 12 residues pruned to eliminate duplicates Z: 9 5.843 1.609 0.564 0.364 0.750 0.500 N 1.267 9 residues pruned to eliminate duplicates Z: 13 17.968 1.721 1.043 0.891 0.917 0.917 N 1.157 13 residues pruned to eliminate duplicates 6 1.678 1.214 0.438 0.662 0.800 0.600 O 0.462 ? Z: 6 8.601 1.581 0.367 0.879 1.000 1.000 CB 1.290 6 residues pruned to eliminate duplicates Z: 12 14.258 1.717 0.425 0.803 1.000 0.545 N 1.349 12 residues pruned to eliminate duplicates Z: 10 6.923 1.644 0.577 0.833 1.000 0.556 CB 0.668 11 residues pruned to eliminate duplicates Z: 11 15.149 1.663 0.731 0.834 1.000 0.500 N 1.248 13 residues pruned to eliminate duplicates Z: 7 12.829 1.895 0.461 0.852 1.000 0.500 CB 1.400 7 residues pruned to eliminate duplicates Z: 11 8.588 1.651 0.291 0.544 1.000 0.600 CB 1.220 Z: 14 16.951 1.727 0.875 0.886 0.923 0.923 CB 1.135 14 residues pruned to eliminate duplicates Z: 10 6.664 1.668 0.992 0.827 0.889 0.667 CB 0.567 Z: 12 14.321 1.804 0.316 0.922 1.000 1.000 CB 1.279 12 residues pruned to eliminate duplicates Z: 14 9.781 1.536 0.589 0.892 0.923 0.692 CB 0.865 Z: 7 6.425 1.461 0.444 0.739 0.833 0.833 CB 1.205 6 residues pruned to eliminate duplicates Z: 9 7.777 1.594 0.368 0.846 1.000 0.750 CB 0.937 9 residues pruned to eliminate duplicates Z: 9 3.005 1.562 0.078 0.373 0.750 0.500 CB 0.964 Z: 15 9.167 1.503 0.389 0.881 0.929 0.857 CB 0.915 13 residues pruned to eliminate duplicates Z: 7 3.352 1.558 0.408 0.445 0.833 0.667 CA 0.792 Z: 7 4.942 1.696 0.552 0.706 1.000 0.500 CB 0.636 Z: 10 4.638 1.580 0.201 0.464 0.778 0.556 CB 1.087 Z: 10 13.193 1.738 0.330 0.865 1.000 0.778 CB 1.394 10 residues pruned to eliminate duplicates Z: 6 6.272 1.506 0.744 0.872 1.000 1.000 CB 0.778 Z: 10 8.107 1.482 0.442 0.815 1.000 0.556 CB 0.962 Z: 11 13.511 1.867 0.353 0.883 1.000 0.700 CB 1.224 15 residues pruned to eliminate duplicates Z: 7 7.457 1.580 0.568 0.612 1.000 0.667 CB 1.105 Z: 15 6.488 1.693 0.637 0.355 0.571 0.500 CB 1.280 15 residues pruned to eliminate duplicates Z: 12 11.768 1.600 0.798 0.753 0.818 0.636 CB 1.203 13 residues pruned to eliminate duplicates Z: 9 6.134 1.431 0.580 0.801 1.000 0.625 CB 0.737 Z: 6 4.158 1.531 0.562 0.384 1.000 0.800 CB 0.880 Z: 6 2.331 1.541 0.634 0.296 0.400 0.400 O 1.299 Z: 7 7.266 1.476 0.507 0.886 1.000 0.833 CB 0.963 7 residues pruned to eliminate duplicates Z: 9 3.801 1.460 0.529 0.880 1.000 0.875 CB 0.437 6 residues pruned to eliminate duplicates Z: 8 12.847 1.712 0.833 0.857 1.000 0.714 CB 1.140 6 residues pruned to eliminate duplicates Z: 12 17.193 1.716 0.802 0.734 1.000 0.636 CB 1.358 12 residues pruned to eliminate duplicates Z: 20 16.641 1.647 0.418 0.920 1.000 0.789 CB 1.151 21 residues pruned to eliminate duplicates Z: 14 13.179 1.790 0.335 0.879 1.000 0.923 CB 1.109 14 residues pruned to eliminate duplicates 6 0.902 1.657 0.985 0.877 1.000 1.000 CB 0.089 ? Z: 6 3.736 1.643 0.122 0.569 0.800 0.400 N 1.059 7 residues pruned to eliminate duplicates Z: 6 3.809 1.559 -0.075 0.478 1.000 0.200 N 1.208 Z: 12 5.986 1.481 0.335 0.414 0.909 0.455 CB 1.098 Z: 10 11.600 1.967 0.678 0.862 1.000 0.444 CB 0.860 10 residues pruned to eliminate duplicates Z: 6 2.693 1.406 0.404 0.507 0.800 0.800 CB 0.757 Z: 9 12.564 1.687 0.681 0.830 1.000 0.625 CB 1.178 11 residues pruned to eliminate duplicates Z: 17 11.171 1.569 0.409 0.863 0.938 0.875 CB 0.989 17 residues pruned to eliminate duplicates Z: 12 12.040 1.669 0.263 0.909 1.000 1.000 O 1.222 12 residues pruned to eliminate duplicates Z: 10 16.801 1.807 0.794 0.827 1.000 0.556 CA 1.302 9 residues pruned to eliminate duplicates Z: 12 11.772 1.770 0.172 0.902 1.000 1.000 CB 1.221 12 residues pruned to eliminate duplicates Z: 26 23.608 1.703 0.546 0.850 1.000 0.760 CB 1.329 26 residues pruned to eliminate duplicates Z: 11 16.001 1.784 0.578 0.911 1.000 1.000 N 1.274 11 residues pruned to eliminate duplicates Z: 11 13.936 1.784 0.277 0.914 1.000 1.000 CB 1.368 11 residues pruned to eliminate duplicates Z: 7 6.397 1.462 0.214 0.842 1.000 0.667 CB 1.096 5 residues pruned to eliminate duplicates Z: 7 7.052 1.632 0.305 0.870 1.000 0.833 CB 0.986 Z: 10 18.552 1.830 0.576 0.917 1.000 1.000 CA 1.514 10 residues pruned to eliminate duplicates Z: 6 4.519 1.510 0.478 0.645 1.000 0.600 CB 0.791 Z: 10 10.375 1.527 0.816 0.863 1.000 0.778 CB 0.915 10 residues pruned to eliminate duplicates Z: 12 8.009 1.563 0.491 0.771 0.818 0.455 CB 0.996 12 residues pruned to eliminate duplicates Z: 15 13.112 1.531 0.549 0.846 0.929 0.929 CB 1.182 Z: 8 8.258 1.706 0.551 0.836 1.000 1.000 CB 0.883 8 residues pruned to eliminate duplicates Z: 8 4.379 1.621 0.329 0.378 0.714 0.429 O 1.226 Z: 7 3.018 1.511 0.585 0.220 1.000 0.500 CB 0.714 Z: 10 9.567 1.821 0.421 0.500 0.778 0.667 N 1.584 10 residues pruned to eliminate duplicates Z: 8 4.796 1.562 0.208 0.754 1.000 0.571 CB 0.766 Z: 13 11.380 1.513 0.666 0.826 1.000 0.583 CB 0.983 12 residues pruned to eliminate duplicates Z: 7 2.097 1.240 0.621 0.240 0.667 0.333 CB 0.863 Z: 6 2.508 1.519 -0.047 0.660 1.000 0.800 CB 0.668 Z: 9 14.712 1.923 0.303 0.865 1.000 1.000 CA 1.521 9 residues pruned to eliminate duplicates Z: 8 3.592 1.563 0.501 0.303 0.714 0.429 CB 1.009 Z: 8 2.735 1.381 0.177 0.391 0.714 0.714 N 1.000 6 1.291 1.336 0.183 0.273 0.600 0.600 CB 0.788 ? Z: 8 5.113 1.600 0.184 0.550 0.857 0.714 CB 1.133 8 residues pruned to eliminate duplicates Z: 14 8.632 1.467 0.668 0.844 0.692 0.538 CB 1.052 14 residues pruned to eliminate duplicates Z: 15 8.152 1.420 0.517 0.804 0.857 0.500 CB 0.905 14 residues pruned to eliminate duplicates Z: 18 18.651 1.995 0.757 0.550 0.941 0.647 CB 1.306 17 residues pruned to eliminate duplicates Z: 7 4.570 1.760 0.041 0.447 0.833 0.667 CB 1.291 7 residues pruned to eliminate duplicates Z: 14 9.417 1.547 0.482 0.783 0.846 0.615 CB 1.049 15 residues pruned to eliminate duplicates Z: 14 9.463 1.513 0.417 0.804 0.846 0.538 CB 1.109 Z: 8 7.387 1.683 0.412 0.770 1.000 0.714 CB 0.925 8 residues pruned to eliminate duplicates Z: 13 18.268 1.778 0.532 0.878 1.000 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 7 4.124 1.420 0.565 0.513 0.833 0.333 CB 0.898 Z: 6 2.393 1.213 0.404 0.462 0.800 0.600 N 0.817 Z: 11 7.507 1.429 0.094 0.859 1.000 0.900 CB 1.118 Z: 9 4.494 1.400 1.044 0.283 0.750 0.375 CB 0.946 Z: 10 7.608 1.599 0.653 0.413 0.889 0.667 CB 1.181 Z: 8 3.475 1.621 0.092 0.294 0.857 0.429 CB 1.090 Z: 12 7.801 1.557 0.695 0.599 1.000 0.545 CB 0.811 12 residues pruned to eliminate duplicates Z: 9 4.372 1.378 0.396 0.736 0.625 0.250 N 1.041 Z: 9 3.300 1.451 0.222 0.408 0.750 0.500 CB 0.966 Z: 8 4.602 1.482 0.689 0.336 0.857 0.429 N 0.970 Z: 16 13.123 1.632 0.861 0.850 1.000 0.733 CB 0.826 16 residues pruned to eliminate duplicates Z: 10 6.438 1.697 0.259 0.393 0.889 0.556 CB 1.266 10 residues pruned to eliminate duplicates Z: 6 5.054 1.520 0.771 0.579 0.800 0.600 CB 0.972 Z: 6 2.907 1.432 0.417 0.419 0.600 0.400 CB 1.161 Z: 10 5.853 1.461 0.341 0.501 1.000 0.667 CB 0.994 Z: 9 3.117 1.593 -0.065 0.333 0.875 0.500 CB 1.016 9 residues pruned to eliminate duplicates Z: 8 7.274 1.503 0.613 0.875 1.000 1.000 CB 0.825 Z: 6 3.292 1.312 0.381 0.355 1.000 0.400 N 0.950 Z: 7 3.025 1.557 0.240 0.647 1.000 0.667 CB 0.558 7 residues pruned to eliminate duplicates Z: 15 9.442 1.559 0.149 0.838 0.929 0.857 CB 1.134 15 residues pruned to eliminate duplicates Z: 14 6.858 1.517 0.389 0.819 0.923 0.538 CB 0.741 9 residues pruned to eliminate duplicates Z: 10 4.857 1.596 0.363 0.390 0.889 0.889 CB 0.940 Z: 10 3.585 1.429 0.446 0.401 0.889 0.556 CB 0.722 Z: 12 11.066 1.919 0.555 0.730 0.818 0.636 CB 1.111 12 residues pruned to eliminate duplicates 6 1.796 1.276 0.752 0.299 0.600 0.400 N 0.749 ? Z: 10 7.737 1.683 0.486 0.827 0.778 0.556 CB 0.999 10 residues pruned to eliminate duplicates Z: 12 9.722 1.507 0.530 0.904 1.000 0.818 CB 0.905 Z: 20 21.347 1.732 0.644 0.919 1.000 0.947 CB 1.212 17 residues pruned to eliminate duplicates Z: 6 3.898 1.469 0.378 0.681 0.800 0.600 CB 0.911 6 residues pruned to eliminate duplicates Z: 12 4.252 1.463 0.821 0.369 0.636 0.273 CB 0.871 Z: 25 14.843 1.717 0.429 0.610 0.958 0.583 CB 1.161 24 residues pruned to eliminate duplicates Z: 10 13.294 1.847 0.490 0.884 0.889 0.778 CB 1.309 11 residues pruned to eliminate duplicates Z: 9 5.900 1.687 0.149 0.431 1.000 0.750 CB 1.155 7 residues pruned to eliminate duplicates Z: 10 4.370 1.250 0.871 0.341 0.778 0.444 N 0.953 Z: 18 16.669 1.886 0.727 0.505 0.882 0.647 CB 1.399 23 residues pruned to eliminate duplicates Z: 6 3.747 1.532 0.662 0.622 0.800 0.800 CB 0.733 Z: 13 12.300 1.571 0.323 0.908 1.000 0.833 CB 1.213 13 residues pruned to eliminate duplicates Z: 6 6.590 1.710 0.536 0.888 1.000 1.000 CB 0.809 Z: 15 11.821 1.536 0.387 0.830 1.000 0.714 CB 1.115 22 residues pruned to eliminate duplicates Z: 12 10.697 1.522 0.855 0.676 0.818 0.455 N 1.188 12 residues pruned to eliminate duplicates Z: 8 3.694 1.628 0.127 0.858 0.857 0.857 CB 0.654 Z: 10 2.879 1.416 0.173 0.284 0.778 0.444 CB 0.947 Z: 11 15.817 1.845 0.196 0.897 1.000 0.900 O 1.622 11 residues pruned to eliminate duplicates Z: 8 4.422 1.544 0.390 0.526 0.714 0.714 CB 1.063 Z: 9 3.021 1.547 0.483 0.344 0.750 0.625 CB 0.736 Z: 24 9.310 1.765 0.431 0.380 0.870 0.522 CB 1.004 12 residues pruned to eliminate duplicates Z: 12 17.999 1.796 0.742 0.862 1.000 1.000 CB 1.273 11 residues pruned to eliminate duplicates Z: 12 9.949 1.533 0.589 0.811 0.909 0.636 CB 1.033 8 1.927 1.304 0.110 0.295 0.714 0.286 N 0.887 ? Z: 14 11.991 1.666 0.451 0.894 1.000 0.692 CB 0.987 14 residues pruned to eliminate duplicates Z: 16 15.213 1.676 0.654 0.605 0.933 0.800 CB 1.375 11 residues pruned to eliminate duplicates Z: 9 3.167 1.430 0.241 0.395 0.750 0.500 CB 0.940 4 residues pruned to eliminate duplicates Z: 7 4.712 1.443 0.621 0.806 1.000 0.667 CB 0.630 3 residues pruned to eliminate duplicates Z: 17 7.855 1.675 0.373 0.357 0.750 0.375 CB 1.328 17 residues pruned to eliminate duplicates Z: 11 9.043 1.515 0.724 0.883 1.000 0.800 CB 0.792 11 residues pruned to eliminate duplicates Z: 11 7.568 1.807 0.283 0.897 1.000 0.900 CB 0.739 13 residues pruned to eliminate duplicates Z: 13 7.209 1.534 0.502 0.847 0.917 0.833 CB 0.731 12 residues pruned to eliminate duplicates Z: 10 6.393 1.676 0.375 0.499 0.778 0.556 CB 1.190 10 residues pruned to eliminate duplicates Z: 8 2.003 1.413 0.214 0.346 0.857 0.571 CB 0.609 Z: 7 2.868 1.469 0.546 0.199 0.667 0.500 CA 1.105 Z: 8 4.600 1.520 1.072 0.757 0.714 0.714 CB 0.615 8 residues pruned to eliminate duplicates Z: 8 2.159 1.428 0.263 0.473 0.714 0.286 CB 0.651 Z: 11 7.470 1.666 0.669 0.608 0.900 0.500 CB 0.852 11 residues pruned to eliminate duplicates Z: 12 8.621 1.743 0.529 0.473 0.909 0.455 CB 1.102 5 residues pruned to eliminate duplicates Z: 6 7.088 1.726 0.151 0.885 1.000 1.000 CB 1.152 6 residues pruned to eliminate duplicates Z: 7 4.079 1.473 0.134 0.704 0.833 0.667 CB 0.993 Z: 6 7.446 1.661 0.433 0.838 0.800 0.800 N 1.307 6 residues pruned to eliminate duplicates Z: 12 20.364 1.811 1.027 0.887 1.000 1.000 CB 1.206 12 residues pruned to eliminate duplicates Z: 10 6.285 1.685 0.507 0.843 1.000 0.778 CB 0.614 9 residues pruned to eliminate duplicates Z: 14 8.982 1.681 0.237 0.694 1.000 0.615 CB 1.003 16 residues pruned to eliminate duplicates Z: 6 5.573 1.285 0.635 0.729 1.000 0.600 N 0.965 6 residues pruned to eliminate duplicates Z: 17 19.099 1.958 0.835 0.616 0.938 0.625 CB 1.271 17 residues pruned to eliminate duplicates 7 1.491 1.549 0.229 0.521 0.833 0.333 CB 0.376 ? Z: 6 5.617 1.746 0.360 0.511 1.000 0.600 CB 1.047 6 residues pruned to eliminate duplicates Z: 12 7.314 1.565 0.652 0.427 0.727 0.636 CB 1.264 12 residues pruned to eliminate duplicates Z: 6 2.741 1.148 0.876 0.336 0.800 0.400 N 0.851 Z: 11 10.049 1.663 0.467 0.757 0.900 0.600 CB 1.152 11 residues pruned to eliminate duplicates Z: 10 5.640 1.653 0.891 0.472 0.778 0.667 CB 0.795 10 residues pruned to eliminate duplicates Z: 11 11.146 1.463 0.641 0.778 1.000 0.700 N 1.149 11 residues pruned to eliminate duplicates Z: 10 6.853 1.564 0.122 0.758 0.889 0.778 CB 1.164 10 residues pruned to eliminate duplicates 6 0.488 1.382 1.017 0.393 0.600 0.600 CB 0.146 ? Z: 7 3.944 1.628 0.381 0.684 1.000 1.000 CB 0.605 Z: 15 5.441 1.670 0.428 0.328 0.714 0.357 CB 1.032 15 residues pruned to eliminate duplicates Z: 17 8.791 1.579 0.686 0.518 0.875 0.688 N 0.927 17 residues pruned to eliminate duplicates Z: 11 3.422 1.617 0.296 0.328 0.800 0.500 CB 0.780 Z: 6 6.499 1.659 0.495 0.751 0.800 0.600 CB 1.171 6 residues pruned to eliminate duplicates Z: 7 2.913 1.450 0.215 0.392 0.667 0.333 CB 1.135 Z: 8 4.824 1.641 0.093 0.569 0.857 0.714 CB 1.110 7 residues pruned to eliminate duplicates Z: 7 2.856 1.236 0.402 0.425 0.833 0.500 N 0.872 Z: 10 7.694 1.790 0.429 0.632 0.889 0.667 CB 0.997 9 residues pruned to eliminate duplicates Z: 6 3.015 1.214 0.767 0.415 0.800 0.400 CB 0.859 Z: 10 12.368 1.658 0.439 0.848 1.000 0.778 CB 1.282 9 residues pruned to eliminate duplicates Z: 20 17.361 1.712 0.625 0.757 0.947 0.789 CB 1.203 20 residues pruned to eliminate duplicates Z: 6 3.766 1.740 0.732 0.584 1.000 0.600 CB 0.516 6 1.947 1.286 0.190 0.498 0.800 0.600 N 0.712 ? Z: 17 7.226 1.495 0.375 0.512 0.812 0.375 CB 1.069 25 residues pruned to eliminate duplicates Z: 7 3.842 1.276 0.341 0.691 1.000 0.833 CB 0.770 6 residues pruned to eliminate duplicates Z: 13 5.049 1.667 0.584 0.509 0.750 0.333 CB 0.729 13 residues pruned to eliminate duplicates Z: 9 11.598 1.878 0.550 0.783 0.875 0.750 CB 1.255 9 residues pruned to eliminate duplicates Z: 7 7.835 1.638 0.394 0.669 0.833 0.333 N 1.438 Z: 13 6.793 1.691 0.456 0.584 0.750 0.583 CB 0.980 13 residues pruned to eliminate duplicates Z: 12 9.493 1.652 0.427 0.879 1.000 1.000 CB 0.880 10 residues pruned to eliminate duplicates Z: 10 4.282 1.615 0.168 0.458 0.889 0.778 CB 0.889 Z: 8 12.671 1.839 0.525 0.708 1.000 0.857 CB 1.413 8 residues pruned to eliminate duplicates Z: 8 5.558 1.624 0.649 0.572 0.714 0.286 CB 1.025 6 residues pruned to eliminate duplicates Z: 10 18.948 1.828 0.667 0.894 1.000 0.889 CB 1.486 10 residues pruned to eliminate duplicates Z: 7 3.767 1.601 0.240 0.400 0.833 0.500 N 1.033 Z: 10 11.669 1.876 0.336 0.892 1.000 1.000 CB 1.115 10 residues pruned to eliminate duplicates Z: 9 8.340 1.604 0.438 0.880 1.000 1.000 CB 0.926 9 residues pruned to eliminate duplicates Z: 10 6.629 1.379 0.351 0.741 1.000 0.889 CA 0.955 8 residues pruned to eliminate duplicates Z: 6 3.599 1.407 0.410 0.495 1.000 0.600 N 0.816 6 residues pruned to eliminate duplicates Z: 9 8.556 1.606 0.255 0.894 1.000 0.875 CB 1.077 9 residues pruned to eliminate duplicates Z: 9 7.248 1.643 0.630 0.568 0.875 0.625 CB 1.023 12 residues pruned to eliminate duplicates Z: 6 2.837 1.524 0.470 0.844 1.000 1.000 CB 0.421 5 residues pruned to eliminate duplicates Z: 6 3.303 1.418 0.404 0.350 0.800 0.200 CB 1.091 6 residues pruned to eliminate duplicates Z: 8 6.346 1.279 0.690 0.540 1.000 0.857 N 1.067 Z: 10 4.890 1.472 0.287 0.405 0.889 0.444 CB 1.069 10 residues pruned to eliminate duplicates Z: 10 10.733 1.696 0.376 0.897 1.000 0.889 CB 1.098 10 residues pruned to eliminate duplicates 6 1.540 1.224 0.140 0.317 0.800 0.600 CB 0.755 ? Z: 10 11.413 1.661 0.316 0.828 1.000 0.889 CB 1.312 10 residues pruned to eliminate duplicates Z: 8 6.181 1.608 0.809 0.881 1.000 0.857 CB 0.582 8 residues pruned to eliminate duplicates 8 1.741 1.338 0.505 0.211 0.571 0.429 N 0.804 ? Z: 7 3.604 1.570 0.340 0.843 1.000 0.667 CB 0.521 Z: 10 4.538 1.434 0.380 0.824 1.000 0.889 CB 0.578 8 residues pruned to eliminate duplicates Z: 9 5.592 1.557 0.565 0.818 0.875 0.625 CB 0.703 9 residues pruned to eliminate duplicates Z: 7 5.493 1.566 1.324 0.474 0.667 0.667 CB 0.949 Z: 19 4.728 1.415 0.603 0.216 0.667 0.333 CB 1.029 Z: 9 3.136 1.439 0.389 0.271 0.750 0.625 CB 0.960 9 residues pruned to eliminate duplicates Z: 9 12.702 1.749 1.106 0.714 0.875 0.625 CB 1.148 Z: 8 2.533 1.695 0.093 0.454 0.857 0.571 CB 0.632 8 residues pruned to eliminate duplicates Z: 6 2.529 1.350 0.392 0.470 1.000 0.800 CB 0.620 Z: 8 13.696 1.870 0.874 0.785 1.000 0.571 CB 1.149 8 residues pruned to eliminate duplicates Z: 20 14.276 1.687 0.482 0.780 0.947 0.684 CB 1.081 20 residues pruned to eliminate duplicates Z: 13 7.420 1.202 0.542 0.746 1.000 0.833 CA 0.928 7 residues pruned to eliminate duplicates Z: 9 3.347 1.284 0.637 0.353 0.750 0.500 N 0.880 Z: 6 4.472 1.568 0.852 0.817 1.000 0.800 CB 0.523 6 residues pruned to eliminate duplicates Z: 12 4.488 1.506 0.491 0.329 0.818 0.273 CB 0.889 12 residues pruned to eliminate duplicates Z: 11 10.854 1.564 0.161 0.865 1.000 0.800 O 1.384 10 residues pruned to eliminate duplicates Z: 16 15.823 1.671 0.322 0.890 1.000 0.800 O 1.331 16 residues pruned to eliminate duplicates Z: 14 7.522 1.567 0.477 0.454 0.846 0.615 CB 1.117 8 residues pruned to eliminate duplicates Z: 15 12.411 1.518 0.644 0.745 0.929 0.429 CB 1.150 17 residues pruned to eliminate duplicates Z: 8 4.282 1.780 0.066 0.537 0.714 0.571 CB 1.152 8 residues pruned to eliminate duplicates Z: 9 5.680 1.546 0.516 0.448 0.875 0.500 N 1.033 6 residues pruned to eliminate duplicates Z: 6 3.992 1.404 0.812 0.782 0.800 0.800 CB 0.684 Z: 8 3.302 1.484 0.549 0.240 0.714 0.429 CB 1.026 Z: 6 2.781 1.344 0.934 0.291 0.600 0.400 C 1.009 Z: 6 2.152 1.260 0.204 0.470 1.000 0.400 CB 0.654 Z: 15 8.882 1.735 0.317 0.520 0.857 0.643 CB 1.189 8 residues pruned to eliminate duplicates Z: 8 10.782 1.876 0.608 0.875 1.000 0.714 CB 0.982 8 residues pruned to eliminate duplicates Z: 6 6.126 1.654 0.127 0.643 1.000 0.800 O 1.286 6 residues pruned to eliminate duplicates Z: 9 6.899 1.545 0.702 0.564 0.750 0.625 N 1.163 9 residues pruned to eliminate duplicates Z: 7 4.922 1.569 0.186 0.681 1.000 0.667 CB 0.914 7 residues pruned to eliminate duplicates Z: 13 11.950 1.828 0.288 0.770 0.917 0.750 CB 1.258 13 residues pruned to eliminate duplicates Z: 9 4.920 1.664 0.282 0.436 0.750 0.500 CB 1.161 Z: 7 3.643 1.030 1.357 0.533 0.833 0.500 N 0.711 Z: 8 5.596 1.448 0.369 0.521 1.000 0.857 N 1.045 7 residues pruned to eliminate duplicates Z: 9 3.436 1.477 0.495 0.293 0.875 0.625 O 0.792 Z: 6 5.489 1.553 0.638 0.858 1.000 1.000 CB 0.710 5 residues pruned to eliminate duplicates Z: 8 4.583 1.322 0.498 0.458 0.857 0.714 CB 1.065 Z: 8 4.277 1.397 0.549 0.707 0.857 0.857 CB 0.722 8 residues pruned to eliminate duplicates Z: 8 8.687 1.629 0.705 0.906 1.000 1.000 CB 0.841 Z: 9 8.392 1.724 0.192 0.697 1.000 0.750 CB 1.206 9 residues pruned to eliminate duplicates Z: 16 11.262 1.635 0.647 0.478 0.800 0.533 N 1.380 16 residues pruned to eliminate duplicates Z: 6 3.554 1.583 0.086 0.743 0.800 0.800 CB 0.930 Z: 7 2.215 1.347 0.895 0.376 0.833 0.500 CB 0.485 Z: 7 4.985 1.440 0.163 0.632 1.000 0.667 CB 1.074 Z: 6 5.941 1.396 0.378 0.618 1.000 0.600 C 1.236 Z: 13 5.360 1.559 0.571 0.431 0.750 0.667 CB 0.905 13 residues pruned to eliminate duplicates 6 1.611 1.463 0.403 0.170 0.600 0.400 N 0.873 ? Z: 16 11.486 1.625 0.236 0.883 1.000 0.933 CB 1.067 16 residues pruned to eliminate duplicates Z: 14 15.569 1.709 0.843 0.772 1.000 0.692 CB 1.078 14 residues pruned to eliminate duplicates Z: 15 11.144 1.636 0.280 0.883 0.929 0.643 CB 1.108 15 residues pruned to eliminate duplicates Z: 10 9.594 1.634 0.581 0.883 0.889 0.778 CB 1.007 14 residues pruned to eliminate duplicates Z: 10 7.184 1.645 0.503 0.790 0.889 0.667 CB 0.845 8 residues pruned to eliminate duplicates Z: 12 7.661 1.693 0.697 0.844 1.000 0.727 CB 0.598 12 residues pruned to eliminate duplicates Z: 8 4.122 1.411 0.461 0.264 0.857 0.429 N 1.154 Z: 8 8.459 1.648 0.804 0.547 1.000 0.429 CB 1.027 Z: 13 11.344 1.611 0.126 0.849 1.000 0.750 CB 1.339 13 residues pruned to eliminate duplicates Z: 11 4.817 1.769 0.259 0.482 1.000 0.500 CB 0.696 6 residues pruned to eliminate duplicates 6 1.569 1.285 0.758 0.416 0.600 0.600 CB 0.565 ? Z: 11 9.014 1.579 0.716 0.614 0.800 0.700 N 1.181 Z: 6 2.043 1.142 0.585 0.293 0.800 0.400 N 0.795 Using tripeptides from previous cycle as seeds Z: 6 2.256 1.484 0.100 0.292 0.800 0.400 CB 0.975 6 residues pruned to eliminate duplicates Z: 6 2.712 1.411 0.093 0.306 1.000 0.200 N 0.976 6 residues pruned to eliminate duplicates Z: 7 3.386 1.508 0.074 0.488 0.833 0.667 CB 1.037 8 residues pruned to eliminate duplicates Z: 6 5.975 1.659 0.753 0.666 0.800 0.600 CB 0.985 Z: 6 7.311 1.672 0.443 0.686 1.000 0.600 CB 1.143 11 residues pruned to eliminate duplicates Z: 12 10.047 1.657 0.487 0.778 0.909 0.818 CB 1.059 12 residues pruned to eliminate duplicates Z: 7 3.142 1.417 0.576 0.590 0.833 0.667 CB 0.632 7 residues pruned to eliminate duplicates Z: 12 5.827 1.502 0.274 0.590 0.909 0.545 CB 0.927 12 residues pruned to eliminate duplicates Z: 12 9.558 1.637 0.533 0.663 1.000 0.636 CB 0.987 12 residues pruned to eliminate duplicates Z: 9 7.734 1.449 0.810 0.422 1.000 0.625 N 1.131 9 residues pruned to eliminate duplicates Z: 9 9.025 1.602 0.604 0.664 1.000 0.500 N 1.067 9 residues pruned to eliminate duplicates Z: 9 7.381 1.584 0.569 0.599 0.875 0.500 CB 1.092 9 residues pruned to eliminate duplicates Z: 7 2.752 1.489 1.043 0.422 1.000 0.667 CB 0.401 Z: 6 8.599 1.527 1.020 0.829 1.000 0.800 CB 0.938 6 residues pruned to eliminate duplicates Z: 7 6.003 1.521 0.215 0.867 1.000 1.000 CB 0.970 7 residues pruned to eliminate duplicates Z: 6 7.080 1.492 0.657 0.844 1.000 0.800 CB 0.954 5 residues pruned to eliminate duplicates Z: 6 6.455 1.492 0.428 0.858 1.000 1.000 CB 0.998 6 residues pruned to eliminate duplicates Z: 6 4.499 1.587 -0.024 0.574 1.000 0.600 CB 1.210 Z: 7 4.116 1.373 0.308 0.508 1.000 0.667 CB 0.928 7 residues pruned to eliminate duplicates Z: 12 7.954 1.628 0.306 0.539 0.909 0.545 CB 1.195 12 residues pruned to eliminate duplicates Z: 13 10.295 1.734 0.582 0.653 0.833 0.750 CB 1.127 14 residues pruned to eliminate duplicates Z: 10 8.472 1.757 0.520 0.732 0.889 0.556 CB 0.966 10 residues pruned to eliminate duplicates Z: 11 12.253 1.924 0.533 0.653 0.800 0.600 CB 1.424 11 residues pruned to eliminate duplicates Z: 12 11.240 1.780 0.286 0.800 1.000 0.909 CB 1.139 11 residues pruned to eliminate duplicates Z: 12 11.088 1.677 0.574 0.836 0.909 0.909 CB 1.042 11 residues pruned to eliminate duplicates Z: 13 11.568 1.611 0.590 0.814 1.000 0.667 CB 0.992 13 residues pruned to eliminate duplicates Z: 15 13.770 1.836 0.527 0.672 0.929 0.643 CB 1.206 15 residues pruned to eliminate duplicates Z: 12 12.499 1.616 0.486 0.932 1.000 0.909 CA 1.096 12 residues pruned to eliminate duplicates Z: 10 13.254 1.878 0.184 0.920 1.000 0.889 CB 1.399 10 residues pruned to eliminate duplicates Z: 33 14.117 1.726 0.490 0.461 0.844 0.500 CB 1.196 24 residues pruned to eliminate duplicates Z: 8 4.845 1.374 0.644 0.473 1.000 0.571 CB 0.833 8 residues pruned to eliminate duplicates Z: 6 2.594 1.349 0.639 0.565 0.800 0.400 CA 0.615 6 residues pruned to eliminate duplicates Z: 6 3.214 1.726 0.312 0.261 0.800 0.600 CB 1.043 6 residues pruned to eliminate duplicates Z: 9 7.264 1.727 0.096 0.578 0.875 0.875 O 1.439 9 residues pruned to eliminate duplicates Z: 17 6.723 1.581 0.384 0.533 0.812 0.438 CB 0.915 24 residues pruned to eliminate duplicates Z: 11 9.381 1.771 0.497 0.574 0.900 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 14 7.533 1.676 0.527 0.412 0.692 0.308 CB 1.292 18 residues pruned to eliminate duplicates Z: 9 11.798 1.675 0.626 0.834 0.875 0.750 O 1.312 9 residues pruned to eliminate duplicates Z: 15 10.373 1.651 0.513 0.634 0.929 0.571 CB 1.054 15 residues pruned to eliminate duplicates Z: 17 9.287 1.586 0.502 0.628 0.938 0.438 CB 0.921 17 residues pruned to eliminate duplicates Z: 9 9.451 1.565 0.535 0.802 1.000 0.625 CB 1.069 9 residues pruned to eliminate duplicates Z: 13 12.445 1.738 0.735 0.707 0.917 0.750 CB 1.077 13 residues pruned to eliminate duplicates Z: 10 4.153 1.389 0.731 0.370 0.889 0.444 CB 0.745 6 residues pruned to eliminate duplicates Z: 6 5.394 1.490 0.222 0.836 1.000 1.000 CA 0.991 6 residues pruned to eliminate duplicates Z: 6 5.307 1.598 0.280 0.807 0.800 0.800 CB 1.109 6 residues pruned to eliminate duplicates Z: 10 5.308 1.573 0.255 0.574 0.778 0.556 CB 1.073 10 residues pruned to eliminate duplicates Z: 8 6.688 1.593 0.576 0.728 0.857 0.857 CB 0.956 8 residues pruned to eliminate duplicates Z: 11 9.598 1.453 0.834 0.658 0.800 0.500 CA 1.230 12 residues pruned to eliminate duplicates Z: 8 8.391 1.467 0.656 0.805 1.000 0.857 CB 1.001 8 residues pruned to eliminate duplicates Z: 9 5.706 1.401 0.781 0.526 0.875 0.625 CB 0.901 7 residues pruned to eliminate duplicates Z: 6 3.074 1.622 0.555 0.180 0.800 0.400 CB 1.001 5 residues pruned to eliminate duplicates Z: 12 18.089 1.705 0.586 0.907 1.000 0.909 N 1.434 11 residues pruned to eliminate duplicates Z: 12 14.124 1.695 0.563 0.772 0.909 0.727 CB 1.390 12 residues pruned to eliminate duplicates Z: 13 16.789 1.776 0.571 0.783 0.917 0.750 CB 1.478 12 residues pruned to eliminate duplicates Z: 14 16.903 1.598 0.656 0.896 1.000 1.000 CA 1.268 14 residues pruned to eliminate duplicates Z: 12 16.714 1.662 0.728 0.870 1.000 0.818 CA 1.282 12 residues pruned to eliminate duplicates Z: 11 20.586 1.807 0.939 0.811 1.000 1.000 CB 1.417 13 residues pruned to eliminate duplicates Z: 11 23.137 1.847 0.928 0.911 1.000 0.900 CB 1.456 11 residues pruned to eliminate duplicates Z: 12 23.095 1.798 0.828 0.909 1.000 0.818 N 1.503 11 residues pruned to eliminate duplicates Z: 13 16.880 1.598 0.824 0.852 1.000 0.833 CA 1.236 13 residues pruned to eliminate duplicates 6 1.257 1.571 0.227 0.131 0.600 0.200 CB 0.770 ? Z: 9 5.079 1.687 0.959 0.152 0.625 0.375 CB 1.334 Z: 8 5.995 1.578 0.395 0.686 0.857 0.571 N 1.013 12 residues pruned to eliminate duplicates Z: 12 8.542 1.659 0.890 0.693 0.818 0.273 CB 0.841 10 residues pruned to eliminate duplicates Z: 11 9.724 1.613 0.606 0.784 1.000 0.500 CB 0.925 10 residues pruned to eliminate duplicates Z: 9 9.717 1.594 0.796 0.858 1.000 0.625 CB 0.884 9 residues pruned to eliminate duplicates Z: 17 10.196 1.649 0.533 0.491 0.875 0.375 N 1.162 24 residues pruned to eliminate duplicates Z: 11 4.756 1.594 0.311 0.423 0.800 0.500 N 0.975 11 residues pruned to eliminate duplicates Z: 27 13.482 1.671 0.574 0.526 0.885 0.538 CB 1.108 26 residues pruned to eliminate duplicates Z: 10 12.213 1.650 0.684 0.823 1.000 0.778 CB 1.108 10 residues pruned to eliminate duplicates Z: 16 7.961 1.581 0.621 0.556 0.800 0.467 CB 0.949 24 residues pruned to eliminate duplicates Z: 17 10.147 1.708 0.405 0.584 0.875 0.625 CB 1.114 17 residues pruned to eliminate duplicates Z: 6 2.027 1.678 0.224 0.270 0.600 0.600 CB 0.955 Z: 6 2.822 1.409 0.737 0.398 0.600 0.600 O 0.957 6 residues pruned to eliminate duplicates Z: 6 3.459 1.577 0.282 0.590 0.800 0.800 CB 0.878 6 residues pruned to eliminate duplicates Z: 18 10.507 1.545 0.512 0.697 0.882 0.647 CB 1.032 24 residues pruned to eliminate duplicates Z: 10 6.458 1.650 0.774 0.480 0.778 0.667 CB 0.965 10 residues pruned to eliminate duplicates Z: 11 10.544 1.913 0.564 0.592 1.000 0.500 CB 1.020 11 residues pruned to eliminate duplicates Z: 11 11.408 1.876 0.727 0.561 1.000 0.800 CB 1.050 11 residues pruned to eliminate duplicates Z: 12 10.810 1.853 0.863 0.528 0.909 0.545 CB 1.010 14 residues pruned to eliminate duplicates Z: 14 22.268 1.845 0.942 0.734 1.000 0.769 CB 1.396 16 residues pruned to eliminate duplicates Z: 12 18.043 1.850 0.839 0.795 0.909 0.727 CA 1.359 12 residues pruned to eliminate duplicates Z: 14 19.184 1.840 0.803 0.722 1.000 0.692 CB 1.312 14 residues pruned to eliminate duplicates Z: 14 19.336 1.812 0.885 0.752 1.000 0.692 CB 1.254 14 residues pruned to eliminate duplicates Z: 12 13.054 1.848 0.613 0.602 0.909 0.636 CB 1.319 12 residues pruned to eliminate duplicates Z: 14 13.720 1.793 0.720 0.716 0.923 0.846 CB 1.099 14 residues pruned to eliminate duplicates Z: 14 15.945 1.808 0.817 0.778 0.923 0.692 CB 1.141 14 residues pruned to eliminate duplicates Z: 13 14.488 1.637 0.766 0.733 0.917 0.500 N 1.280 13 residues pruned to eliminate duplicates Z: 9 17.200 1.849 1.163 0.825 0.875 0.750 N 1.311 9 residues pruned to eliminate duplicates Z: 11 20.600 1.829 0.968 0.897 1.000 1.000 CA 1.296 11 residues pruned to eliminate duplicates Z: 11 20.909 1.872 0.994 0.891 0.900 0.900 CA 1.416 11 residues pruned to eliminate duplicates Z: 8 6.320 1.653 0.513 0.375 1.000 0.571 CB 1.091 Z: 6 6.463 1.594 0.792 0.574 1.000 0.200 CB 0.943 3 residues pruned to eliminate duplicates Z: 6 6.919 1.820 0.556 0.777 1.000 0.800 CB 0.856 6 residues pruned to eliminate duplicates Z: 10 14.006 1.908 0.665 0.833 0.889 0.778 CB 1.240 10 residues pruned to eliminate duplicates Z: 10 20.275 1.939 0.761 0.853 1.000 0.778 CB 1.463 10 residues pruned to eliminate duplicates Z: 11 14.633 1.695 0.851 0.629 1.000 0.900 CB 1.307 11 residues pruned to eliminate duplicates Z: 22 17.380 1.826 0.626 0.668 0.905 0.571 CB 1.209 22 residues pruned to eliminate duplicates Z: 11 19.806 1.804 0.911 0.913 1.000 0.800 CB 1.286 11 residues pruned to eliminate duplicates Z: 19 17.284 1.762 0.563 0.628 0.944 0.778 CB 1.388 19 residues pruned to eliminate duplicates Z: 22 15.476 1.692 0.746 0.571 0.810 0.524 CB 1.319 22 residues pruned to eliminate duplicates Z: 31 14.430 1.691 0.589 0.471 0.867 0.633 CB 1.165 27 residues pruned to eliminate duplicates Z: 12 22.840 1.936 0.796 0.901 1.000 1.000 CB 1.414 12 residues pruned to eliminate duplicates Z: 15 6.688 1.764 0.438 0.366 0.786 0.500 CB 1.035 15 residues pruned to eliminate duplicates Z: 17 10.319 1.788 0.333 0.619 0.812 0.750 CB 1.190 17 residues pruned to eliminate duplicates Z: 20 10.687 1.780 0.567 0.478 0.842 0.421 CB 1.068 20 residues pruned to eliminate duplicates Z: 10 7.275 1.740 0.515 0.435 0.889 0.556 CB 1.107 10 residues pruned to eliminate duplicates Z: 19 10.235 1.800 0.585 0.434 0.778 0.444 CB 1.164 19 residues pruned to eliminate duplicates Z: 24 12.829 1.791 0.495 0.428 0.870 0.435 CB 1.238 24 residues pruned to eliminate duplicates Z: 15 7.737 1.737 0.548 0.309 0.786 0.500 CB 1.209 16 residues pruned to eliminate duplicates Z: 6 3.001 1.401 0.873 0.178 1.000 0.600 CB 0.754 6 residues pruned to eliminate duplicates Z: 9 4.959 1.791 0.285 0.258 0.875 0.375 CB 1.148 9 residues pruned to eliminate duplicates Z: 6 4.344 1.395 0.989 0.420 0.800 0.600 N 0.951 6 residues pruned to eliminate duplicates Z: 8 6.692 1.858 0.631 0.330 0.857 0.571 CB 1.173 9 residues pruned to eliminate duplicates Z: 6 4.268 1.572 0.205 0.270 1.000 0.400 O 1.307 6 residues pruned to eliminate duplicates Z: 9 3.702 1.898 0.123 0.181 0.750 0.375 CB 1.203 9 residues pruned to eliminate duplicates Z: 26 9.112 1.757 0.278 0.380 0.760 0.320 CB 1.214 24 residues pruned to eliminate duplicates Z: 7 3.953 1.543 0.601 0.564 0.833 0.667 CB 0.736 6 residues pruned to eliminate duplicates Z: 15 10.904 1.505 0.449 0.755 0.929 0.714 CB 1.146 15 residues pruned to eliminate duplicates Z: 6 7.672 1.745 0.695 0.657 0.800 0.600 CB 1.254 6 residues pruned to eliminate duplicates Z: 7 5.691 1.494 0.369 0.476 1.000 0.333 CB 1.164 7 residues pruned to eliminate duplicates Z: 10 5.241 1.648 0.424 0.411 0.778 0.222 CB 1.051 10 residues pruned to eliminate duplicates Z: 6 2.698 1.693 0.494 0.406 0.400 0.200 N 1.315 6 residues pruned to eliminate duplicates Z: 12 5.386 1.545 0.478 0.457 0.727 0.273 CB 1.021 12 residues pruned to eliminate duplicates Z: 8 4.644 1.507 0.391 0.314 0.857 0.429 N 1.199 8 residues pruned to eliminate duplicates Z: 6 3.942 1.408 0.410 0.479 0.800 0.400 N 1.133 6 residues pruned to eliminate duplicates Z: 12 10.848 1.638 0.915 0.551 0.818 0.455 N 1.213 12 residues pruned to eliminate duplicates Z: 21 10.583 1.614 0.735 0.502 0.850 0.600 CB 0.992 21 residues pruned to eliminate duplicates Z: 12 7.090 1.512 0.831 0.399 0.727 0.545 CA 1.181 12 residues pruned to eliminate duplicates Z: 14 11.011 1.512 0.649 0.592 0.923 0.615 CB 1.215 14 residues pruned to eliminate duplicates Z: 21 10.892 1.463 0.737 0.471 0.850 0.550 CB 1.161 21 residues pruned to eliminate duplicates Z: 21 15.737 1.702 0.749 0.744 0.900 0.500 CB 1.056 21 residues pruned to eliminate duplicates Z: 16 11.106 1.680 0.562 0.558 0.800 0.600 CB 1.291 16 residues pruned to eliminate duplicates Z: 16 17.922 1.771 0.697 0.736 0.933 0.667 CB 1.334 16 residues pruned to eliminate duplicates Z: 26 22.806 1.751 0.710 0.822 0.920 0.800 CB 1.253 26 residues pruned to eliminate duplicates Z: 22 19.251 1.724 0.571 0.764 1.000 0.619 CB 1.227 22 residues pruned to eliminate duplicates Z: 19 11.900 1.692 0.786 0.722 0.778 0.556 CB 0.977 19 residues pruned to eliminate duplicates Z: 20 21.686 1.749 0.686 0.838 0.947 0.474 CB 1.330 20 residues pruned to eliminate duplicates Z: 10 6.639 1.635 0.578 0.645 0.889 0.667 CB 0.843 10 residues pruned to eliminate duplicates Z: 28 20.419 1.732 0.740 0.747 0.889 0.741 CB 1.176 28 residues pruned to eliminate duplicates Z: 13 14.026 1.839 0.617 0.736 0.833 0.833 CB 1.322 13 residues pruned to eliminate duplicates Z: 12 12.462 1.895 0.513 0.711 0.818 0.273 CB 1.323 12 residues pruned to eliminate duplicates Z: 13 15.411 1.875 0.680 0.722 0.917 0.667 CB 1.261 13 residues pruned to eliminate duplicates Z: 23 16.956 1.797 0.835 0.664 0.818 0.773 CB 1.151 23 residues pruned to eliminate duplicates Z: 15 11.465 1.667 0.581 0.708 0.857 0.786 CB 1.123 15 residues pruned to eliminate duplicates Z: 12 16.464 1.867 0.597 0.815 1.000 0.818 CB 1.266 12 residues pruned to eliminate duplicates Z: 13 11.504 1.718 0.649 0.726 0.833 0.583 CB 1.147 13 residues pruned to eliminate duplicates Z: 18 15.716 1.721 0.684 0.898 0.941 0.765 CB 0.999 18 residues pruned to eliminate duplicates Z: 16 14.254 1.666 0.924 0.843 0.800 0.733 CB 1.069 16 residues pruned to eliminate duplicates Z: 16 14.646 1.697 0.909 0.768 0.933 0.867 CB 0.986 16 residues pruned to eliminate duplicates Z: 10 9.546 1.645 1.014 0.594 0.889 0.444 CB 0.987 10 residues pruned to eliminate duplicates Z: 9 13.034 1.671 0.681 0.813 1.000 0.375 CB 1.250 10 residues pruned to eliminate duplicates Z: 12 14.417 1.611 0.727 0.876 1.000 0.909 CB 1.135 12 residues pruned to eliminate duplicates Z: 8 6.689 1.694 0.689 0.582 0.857 0.286 CB 0.952 8 residues pruned to eliminate duplicates Z: 8 8.778 1.711 0.800 0.591 0.857 0.714 N 1.152 8 residues pruned to eliminate duplicates Z: 13 15.314 1.630 0.729 0.843 1.000 0.833 CB 1.168 13 residues pruned to eliminate duplicates Z: 12 17.174 1.695 0.861 0.822 1.000 0.727 CB 1.242 13 residues pruned to eliminate duplicates Z: 12 12.504 1.616 0.920 0.808 0.909 0.636 CB 1.022 12 residues pruned to eliminate duplicates Z: 9 10.878 1.589 0.865 0.668 1.000 0.875 CB 1.111 8 residues pruned to eliminate duplicates Z: 14 18.166 1.714 1.123 0.809 1.000 0.692 CB 1.057 13 residues pruned to eliminate duplicates Z: 14 18.144 1.712 1.084 0.790 1.000 0.846 CB 1.094 14 residues pruned to eliminate duplicates Z: 14 14.133 1.679 0.881 0.804 1.000 0.692 CB 0.952 14 residues pruned to eliminate duplicates Z: 13 13.501 1.675 0.797 0.779 1.000 0.750 CB 1.012 13 residues pruned to eliminate duplicates Z: 14 12.673 1.719 0.297 0.784 0.923 0.846 N 1.330 13 residues pruned to eliminate duplicates Z: 12 14.772 1.701 0.455 0.823 1.000 0.727 N 1.361 12 residues pruned to eliminate duplicates Z: 12 7.653 1.752 0.240 0.569 0.909 0.636 CB 1.093 12 residues pruned to eliminate duplicates Z: 12 9.149 1.737 0.298 0.564 0.909 0.727 CB 1.266 11 residues pruned to eliminate duplicates Z: 9 11.514 1.699 0.490 0.858 0.875 0.750 CB 1.353 9 residues pruned to eliminate duplicates Z: 18 12.955 1.686 0.523 0.484 0.941 0.588 N 1.322 18 residues pruned to eliminate duplicates Z: 15 14.173 1.698 0.497 0.731 0.929 0.714 N 1.304 16 residues pruned to eliminate duplicates Z: 12 15.937 1.750 0.694 0.778 0.909 0.455 N 1.395 12 residues pruned to eliminate duplicates Z: 21 16.111 1.696 0.679 0.602 0.850 0.700 N 1.351 20 residues pruned to eliminate duplicates Z: 10 16.606 1.694 0.813 0.866 1.000 0.778 N 1.319 10 residues pruned to eliminate duplicates Z: 17 15.982 1.760 0.695 0.549 0.875 0.688 CB 1.460 17 residues pruned to eliminate duplicates Z: 12 18.760 1.792 0.891 0.798 0.909 0.545 N 1.414 15 residues pruned to eliminate duplicates Z: 15 16.920 1.789 0.527 0.706 0.929 0.857 CA 1.478 14 residues pruned to eliminate duplicates Z: 7 3.558 1.558 0.124 0.488 0.833 0.333 CA 1.007 7 residues pruned to eliminate duplicates Z: 18 13.652 1.674 0.805 0.610 0.824 0.588 N 1.199 18 residues pruned to eliminate duplicates Z: 8 5.907 1.738 0.627 0.507 0.714 0.571 N 1.097 8 residues pruned to eliminate duplicates Z: 9 5.225 1.674 0.517 0.440 0.750 0.500 N 1.032 9 residues pruned to eliminate duplicates Z: 17 13.624 1.676 0.863 0.619 0.812 0.500 N 1.199 17 residues pruned to eliminate duplicates Z: 7 2.868 1.490 0.476 0.394 1.000 0.667 CB 0.596 13 residues pruned to eliminate duplicates Z: 12 7.763 1.499 0.440 0.847 1.000 0.818 CB 0.805 12 residues pruned to eliminate duplicates Z: 13 10.269 1.649 0.442 0.841 1.000 0.667 CB 0.930 13 residues pruned to eliminate duplicates Z: 13 10.275 1.627 0.464 0.876 1.000 0.750 CB 0.905 15 residues pruned to eliminate duplicates Z: 14 9.078 1.628 0.411 0.824 1.000 0.769 CB 0.828 14 residues pruned to eliminate duplicates Z: 8 6.839 1.540 0.757 0.656 1.000 0.571 CB 0.826 8 residues pruned to eliminate duplicates Z: 11 6.768 1.676 0.377 0.652 0.800 0.700 CB 1.006 11 residues pruned to eliminate duplicates Z: 10 6.566 1.708 0.518 0.671 0.778 0.667 CB 0.926 10 residues pruned to eliminate duplicates Z: 9 7.605 1.762 0.297 0.641 0.875 0.750 CB 1.179 9 residues pruned to eliminate duplicates Z: 7 7.794 1.867 0.118 0.821 1.000 0.833 CB 1.154 7 residues pruned to eliminate duplicates Z: 19 11.463 1.790 0.543 0.463 0.833 0.611 CB 1.218 19 residues pruned to eliminate duplicates Z: 12 10.658 1.691 0.773 0.625 0.818 0.727 CB 1.164 12 residues pruned to eliminate duplicates Z: 9 11.808 1.726 0.943 0.789 0.875 0.625 CB 1.104 9 residues pruned to eliminate duplicates Z: 12 10.752 1.704 0.926 0.610 0.909 0.636 CB 0.979 12 residues pruned to eliminate duplicates Z: 17 14.756 1.811 0.715 0.670 0.875 0.750 CB 1.160 17 residues pruned to eliminate duplicates Z: 18 15.472 1.846 0.607 0.681 0.882 0.706 CB 1.213 18 residues pruned to eliminate duplicates Z: 17 14.871 1.865 0.610 0.640 0.938 0.875 CB 1.159 17 residues pruned to eliminate duplicates Z: 20 12.045 1.774 0.587 0.514 0.842 0.579 CB 1.150 20 residues pruned to eliminate duplicates Z: 18 14.057 1.836 0.571 0.584 0.882 0.588 CB 1.236 18 residues pruned to eliminate duplicates Z: 20 14.541 1.807 0.610 0.607 0.895 0.737 CB 1.158 20 residues pruned to eliminate duplicates Z: 22 15.233 1.787 0.596 0.648 0.905 0.667 CB 1.121 22 residues pruned to eliminate duplicates Z: 20 13.479 1.807 0.447 0.585 0.947 0.632 CB 1.150 20 residues pruned to eliminate duplicates Z: 7 5.796 1.842 0.411 0.685 0.833 0.833 CB 0.923 7 residues pruned to eliminate duplicates Z: 8 13.989 1.916 0.595 0.755 1.000 0.714 N 1.379 8 residues pruned to eliminate duplicates Z: 13 19.577 1.908 0.534 0.927 1.000 1.000 CB 1.353 13 residues pruned to eliminate duplicates Z: 15 16.055 1.911 0.391 0.884 1.000 0.857 CB 1.166 15 residues pruned to eliminate duplicates Z: 13 15.492 1.843 0.462 0.869 1.000 0.917 CB 1.213 13 residues pruned to eliminate duplicates Z: 22 15.019 1.829 0.421 0.690 0.905 0.524 CB 1.171 16 residues pruned to eliminate duplicates Z: 16 16.280 1.827 0.556 0.864 1.000 0.733 CB 1.084 16 residues pruned to eliminate duplicates Z: 10 14.737 1.890 0.788 0.806 1.000 0.778 CB 1.113 10 residues pruned to eliminate duplicates Z: 16 13.462 1.825 0.686 0.816 0.867 0.733 CB 0.991 16 residues pruned to eliminate duplicates Z: 15 15.222 1.852 0.650 0.792 0.929 0.786 CB 1.110 15 residues pruned to eliminate duplicates Z: 14 13.350 1.857 0.655 0.776 0.923 0.769 CB 1.023 14 residues pruned to eliminate duplicates Z: 20 13.310 1.854 0.523 0.689 0.947 0.421 CB 0.960 20 residues pruned to eliminate duplicates Z: 16 14.492 1.861 0.766 0.828 0.933 0.733 CB 0.919 16 residues pruned to eliminate duplicates Z: 14 15.958 1.870 0.719 0.865 1.000 0.846 CB 1.009 14 residues pruned to eliminate duplicates Z: 6 4.728 1.789 0.137 0.574 0.800 0.400 CB 1.209 14 residues pruned to eliminate duplicates Z: 7 5.732 1.765 0.133 0.410 1.000 0.167 CB 1.287 7 residues pruned to eliminate duplicates Z: 21 13.986 1.852 0.357 0.695 0.900 0.600 CB 1.157 21 residues pruned to eliminate duplicates Z: 20 11.457 1.785 0.607 0.713 0.842 0.421 CB 0.897 35 residues pruned to eliminate duplicates Z: 7 12.109 1.758 0.782 0.840 0.833 0.833 CB 1.414 8 residues pruned to eliminate duplicates Z: 9 8.364 1.607 0.507 0.835 0.875 0.750 CB 1.045 8 residues pruned to eliminate duplicates Z: 8 12.574 1.688 0.561 0.892 1.000 0.857 CB 1.296 8 residues pruned to eliminate duplicates Z: 9 10.712 1.651 0.511 0.856 1.000 0.750 CB 1.120 9 residues pruned to eliminate duplicates Z: 8 12.263 1.672 0.743 0.761 1.000 0.571 CB 1.261 8 residues pruned to eliminate duplicates Z: 8 8.243 1.658 0.670 0.729 0.857 0.714 CB 1.068 8 residues pruned to eliminate duplicates Z: 10 6.992 1.588 0.212 0.687 1.000 0.778 CB 1.020 10 residues pruned to eliminate duplicates 6 1.930 1.538 -0.004 0.340 0.800 0.200 CB 0.838 ? Z: 11 5.870 1.565 0.358 0.414 0.800 0.700 CB 1.195 11 residues pruned to eliminate duplicates Z: 9 3.585 1.337 0.452 0.411 0.750 0.250 CB 0.956 9 residues pruned to eliminate duplicates Z: 15 11.495 1.634 0.235 0.847 0.929 0.929 CB 1.218 15 residues pruned to eliminate duplicates Z: 11 10.933 1.567 0.298 0.910 1.000 0.900 CB 1.206 11 residues pruned to eliminate duplicates Z: 14 11.319 1.559 0.276 0.752 0.923 0.615 N 1.365 14 residues pruned to eliminate duplicates Z: 11 7.672 1.540 0.275 0.870 0.900 0.600 O 1.002 11 residues pruned to eliminate duplicates Z: 9 6.134 1.581 0.481 0.453 0.750 0.375 N 1.297 9 residues pruned to eliminate duplicates Z: 9 6.709 1.739 0.389 0.716 0.750 0.750 CB 1.076 9 residues pruned to eliminate duplicates Z: 11 9.172 1.598 0.619 0.758 0.800 0.700 CB 1.114 11 residues pruned to eliminate duplicates Z: 12 7.820 1.554 0.240 0.786 0.818 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 12 8.212 1.582 0.364 0.797 0.727 0.727 CB 1.217 12 residues pruned to eliminate duplicates Z: 12 8.213 1.598 0.464 0.709 0.727 0.545 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 8.038 1.610 0.411 0.735 0.700 0.700 O 1.294 11 residues pruned to eliminate duplicates Z: 11 9.241 1.653 0.413 0.790 0.900 0.600 CB 1.078 11 residues pruned to eliminate duplicates Z: 13 12.360 1.864 0.308 0.783 1.000 0.667 CB 1.140 13 residues pruned to eliminate duplicates Z: 14 8.326 1.799 0.265 0.721 0.923 0.615 CB 0.900 14 residues pruned to eliminate duplicates Z: 17 9.657 1.760 0.352 0.634 0.875 0.688 CB 1.022 17 residues pruned to eliminate duplicates Z: 8 6.684 1.850 0.012 0.737 1.000 0.571 CB 1.091 8 residues pruned to eliminate duplicates Z: 17 9.951 1.756 0.263 0.664 0.875 0.750 CB 1.102 17 residues pruned to eliminate duplicates Z: 16 14.397 1.678 0.426 0.709 1.000 0.600 CB 1.284 12 residues pruned to eliminate duplicates Z: 13 12.955 1.710 0.244 0.844 0.917 0.583 CB 1.426 13 residues pruned to eliminate duplicates Z: 19 10.712 1.716 0.273 0.582 1.000 0.556 CB 1.069 19 residues pruned to eliminate duplicates Z: 14 9.380 1.810 0.275 0.769 0.846 0.846 CB 1.050 14 residues pruned to eliminate duplicates Z: 14 10.278 1.812 0.366 0.753 0.923 0.692 CB 0.996 14 residues pruned to eliminate duplicates Z: 13 15.143 1.882 0.439 0.817 1.000 0.667 CB 1.225 13 residues pruned to eliminate duplicates Z: 14 10.331 1.798 0.351 0.758 0.923 0.846 CB 1.016 14 residues pruned to eliminate duplicates Z: 7 4.596 1.462 0.702 0.591 0.833 0.500 CB 0.829 Z: 6 2.655 1.277 0.624 0.278 0.800 0.200 CA 0.920 Z: 6 6.667 1.556 1.017 0.399 1.000 0.800 CB 1.056 6 residues pruned to eliminate duplicates Z: 22 17.841 1.929 0.715 0.575 0.905 0.667 CB 1.210 22 residues pruned to eliminate duplicates Z: 21 12.230 1.982 0.505 0.424 0.800 0.600 CB 1.240 21 residues pruned to eliminate duplicates Z: 15 17.762 2.022 0.886 0.616 0.857 0.643 CB 1.302 15 residues pruned to eliminate duplicates Z: 25 16.795 1.878 0.628 0.497 0.875 0.667 CB 1.285 25 residues pruned to eliminate duplicates Z: 20 14.194 1.982 0.457 0.513 0.842 0.632 CB 1.322 26 residues pruned to eliminate duplicates Z: 9 17.526 1.981 0.758 0.832 0.875 0.750 CA 1.526 9 residues pruned to eliminate duplicates Z: 18 12.817 1.812 0.581 0.499 0.882 0.471 CB 1.232 18 residues pruned to eliminate duplicates Z: 28 14.545 1.835 0.697 0.462 0.815 0.556 CB 1.146 31 residues pruned to eliminate duplicates Z: 14 14.533 1.768 0.765 0.794 0.846 0.462 CA 1.179 14 residues pruned to eliminate duplicates Z: 22 18.906 1.911 0.611 0.597 0.952 0.714 CB 1.283 24 residues pruned to eliminate duplicates Z: 12 17.039 1.990 0.460 0.700 1.000 0.818 CA 1.473 12 residues pruned to eliminate duplicates Z: 26 16.152 1.878 0.512 0.509 0.880 0.640 CB 1.282 26 residues pruned to eliminate duplicates Z: 22 17.229 1.933 0.685 0.528 0.905 0.524 CB 1.241 22 residues pruned to eliminate duplicates Z: 21 21.296 1.987 0.698 0.563 0.950 0.700 CB 1.398 23 residues pruned to eliminate duplicates Z: 6 3.523 1.234 0.633 0.685 0.800 0.800 CB 0.825 6 residues pruned to eliminate duplicates Z: 11 8.712 1.493 0.454 0.659 0.900 0.800 O 1.217 11 residues pruned to eliminate duplicates Z: 12 7.512 1.425 0.602 0.601 0.818 0.636 CB 1.102 12 residues pruned to eliminate duplicates Z: 12 10.141 1.469 0.698 0.675 0.909 0.727 CB 1.148 12 residues pruned to eliminate duplicates Z: 11 11.896 1.517 0.714 0.729 1.000 0.800 N 1.177 11 residues pruned to eliminate duplicates Z: 14 8.529 1.383 0.499 0.741 0.846 0.385 N 1.087 13 residues pruned to eliminate duplicates Z: 14 5.663 1.431 0.436 0.737 0.615 0.462 N 1.004 14 residues pruned to eliminate duplicates Z: 11 7.198 1.393 0.558 0.559 0.900 0.600 CB 1.100 Z: 9 4.094 1.428 0.439 0.613 0.625 0.250 CB 1.013 9 residues pruned to eliminate duplicates Z: 11 3.444 1.299 0.350 0.304 0.900 0.400 CB 0.858 11 residues pruned to eliminate duplicates 6 1.661 1.359 0.535 0.305 0.600 0.600 CB 0.737 ? Z: 15 13.544 1.714 0.455 0.728 0.857 0.571 CB 1.379 11 residues pruned to eliminate duplicates Z: 9 12.014 1.752 0.454 0.848 1.000 0.750 CB 1.237 9 residues pruned to eliminate duplicates Z: 12 13.470 1.702 0.422 0.759 0.909 0.636 CB 1.466 12 residues pruned to eliminate duplicates Z: 12 12.306 1.733 0.507 0.816 0.818 0.818 CB 1.319 12 residues pruned to eliminate duplicates Z: 13 10.933 1.834 0.602 0.609 0.833 0.583 CB 1.162 13 residues pruned to eliminate duplicates Z: 11 10.924 1.843 0.349 0.676 0.900 0.700 CB 1.313 11 residues pruned to eliminate duplicates Z: 11 7.483 1.772 0.437 0.562 0.800 0.700 CB 1.094 11 residues pruned to eliminate duplicates Z: 14 11.411 1.694 0.494 0.547 0.923 0.462 CB 1.294 14 residues pruned to eliminate duplicates Z: 11 9.594 1.771 0.467 0.544 1.000 0.600 CB 1.119 11 residues pruned to eliminate duplicates Z: 31 11.813 1.788 0.555 0.341 0.833 0.400 CB 1.107 29 residues pruned to eliminate duplicates Z: 10 11.837 1.794 0.834 0.718 0.778 0.556 CB 1.266 10 residues pruned to eliminate duplicates Z: 33 14.013 1.790 0.440 0.409 0.844 0.500 CB 1.254 37 residues pruned to eliminate duplicates Z: 6 7.130 1.683 0.565 0.460 1.000 0.600 CA 1.260 6 residues pruned to eliminate duplicates Z: 9 10.845 1.977 0.347 0.535 1.000 0.750 CB 1.392 9 residues pruned to eliminate duplicates Z: 12 11.013 1.778 0.587 0.405 0.909 0.545 CB 1.431 12 residues pruned to eliminate duplicates Z: 12 11.638 1.784 0.667 0.497 0.909 0.636 CB 1.302 12 residues pruned to eliminate duplicates Z: 15 10.595 1.746 0.342 0.408 0.929 0.500 CB 1.432 15 residues pruned to eliminate duplicates Z: 17 13.355 1.752 0.711 0.475 0.938 0.438 CB 1.218 17 residues pruned to eliminate duplicates Z: 25 14.765 1.788 0.550 0.467 0.875 0.583 CB 1.285 25 residues pruned to eliminate duplicates Z: 14 4.591 1.790 0.301 0.155 0.846 0.462 CB 0.987 14 residues pruned to eliminate duplicates Z: 6 4.349 1.958 0.242 0.100 1.000 0.600 CB 1.333 8 residues pruned to eliminate duplicates Z: 10 5.835 1.464 0.391 0.538 0.778 0.667 CB 1.183 10 residues pruned to eliminate duplicates Z: 9 3.848 1.726 0.350 0.062 0.750 0.500 CB 1.384 9 residues pruned to eliminate duplicates Z: 8 2.294 1.827 0.230 0.071 0.714 0.714 CB 0.945 8 residues pruned to eliminate duplicates Z: 9 3.918 1.649 0.438 0.077 0.875 0.500 CB 1.157 9 residues pruned to eliminate duplicates Z: 8 2.106 1.888 0.106 0.071 0.714 0.571 CB 0.934 8 residues pruned to eliminate duplicates Z: 19 5.293 1.648 0.212 0.185 0.833 0.500 CB 1.094 15 residues pruned to eliminate duplicates Z: 8 6.373 1.478 0.584 0.765 0.857 0.429 CB 0.950 7 residues pruned to eliminate duplicates Z: 6 5.989 1.464 0.412 0.820 1.000 0.600 CB 0.982 6 residues pruned to eliminate duplicates Z: 7 3.921 1.719 0.393 0.418 0.833 0.333 CB 0.874 7 residues pruned to eliminate duplicates Z: 6 4.773 1.635 0.258 0.706 0.800 0.200 CB 1.076 6 residues pruned to eliminate duplicates Z: 13 6.591 1.554 0.265 0.459 1.000 0.583 CB 1.009 9 residues pruned to eliminate duplicates Z: 9 6.426 1.563 0.181 0.721 1.000 0.875 CB 1.008 9 residues pruned to eliminate duplicates Z: 9 7.297 1.556 0.283 0.765 1.000 1.000 CB 1.022 9 residues pruned to eliminate duplicates Z: 10 3.036 1.336 0.509 0.287 0.667 0.222 CB 0.957 10 residues pruned to eliminate duplicates Z: 7 4.090 1.678 0.470 0.322 0.667 0.500 N 1.235 7 residues pruned to eliminate duplicates Z: 20 7.897 1.722 0.409 0.343 0.842 0.316 CB 1.052 18 residues pruned to eliminate duplicates Z: 7 4.564 1.430 0.387 0.463 1.000 0.500 CB 0.976 7 residues pruned to eliminate duplicates Z: 10 8.710 1.824 0.444 0.344 1.000 0.222 CB 1.306 10 residues pruned to eliminate duplicates Z: 20 14.522 1.948 0.454 0.475 0.895 0.526 CB 1.349 20 residues pruned to eliminate duplicates Z: 17 9.475 1.804 0.590 0.341 0.688 0.375 N 1.427 17 residues pruned to eliminate duplicates Z: 22 19.146 1.934 0.491 0.587 1.000 0.619 CB 1.332 22 residues pruned to eliminate duplicates Z: 10 17.182 2.117 0.695 0.757 0.889 0.667 CB 1.428 10 residues pruned to eliminate duplicates Z: 19 19.624 2.003 0.619 0.619 0.889 0.500 CB 1.434 19 residues pruned to eliminate duplicates Z: 24 15.514 1.914 0.576 0.510 0.826 0.435 CB 1.285 24 residues pruned to eliminate duplicates Z: 27 16.865 1.853 0.674 0.417 0.846 0.500 CB 1.373 27 residues pruned to eliminate duplicates Z: 19 15.799 1.813 0.604 0.565 0.944 0.500 CB 1.273 20 residues pruned to eliminate duplicates Z: 11 12.398 1.922 0.728 0.764 0.700 0.600 CB 1.335 11 residues pruned to eliminate duplicates Z: 24 13.466 1.861 0.633 0.536 0.739 0.391 CB 1.207 24 residues pruned to eliminate duplicates Z: 21 14.905 1.930 0.689 0.450 0.900 0.600 CB 1.196 21 residues pruned to eliminate duplicates Z: 21 15.626 1.988 0.732 0.476 0.800 0.500 CB 1.300 21 residues pruned to eliminate duplicates Z: 27 13.854 1.852 0.589 0.393 0.769 0.423 CB 1.344 27 residues pruned to eliminate duplicates Z: 19 17.475 2.018 0.776 0.497 0.889 0.556 CB 1.297 19 residues pruned to eliminate duplicates Z: 25 17.708 1.876 0.728 0.529 0.917 0.542 CB 1.182 27 residues pruned to eliminate duplicates Z: 6 3.266 1.423 1.022 0.458 0.800 0.400 CB 0.663 6 residues pruned to eliminate duplicates Z: 12 4.766 1.583 0.310 0.342 0.727 0.545 CB 1.131 14 residues pruned to eliminate duplicates Z: 8 7.574 1.739 0.651 0.524 0.857 0.429 CB 1.136 8 residues pruned to eliminate duplicates Z: 18 7.135 1.686 0.364 0.310 0.941 0.706 CB 0.987 21 residues pruned to eliminate duplicates Z: 10 9.566 1.471 0.751 0.702 1.000 0.556 N 1.029 10 residues pruned to eliminate duplicates Z: 11 9.440 1.825 0.563 0.557 1.000 0.400 CB 0.990 11 residues pruned to eliminate duplicates Z: 18 8.099 1.689 0.519 0.421 0.824 0.412 CB 1.009 17 residues pruned to eliminate duplicates Z: 8 5.667 1.558 0.487 0.601 0.857 0.429 CB 0.980 8 residues pruned to eliminate duplicates Z: 6 7.281 1.772 0.296 0.781 1.000 0.400 CB 1.106 6 residues pruned to eliminate duplicates Z: 9 4.114 1.635 0.029 0.276 0.875 0.125 N 1.274 9 residues pruned to eliminate duplicates Z: 12 5.202 1.542 0.335 0.351 0.818 0.455 CB 1.095 12 residues pruned to eliminate duplicates Z: 13 7.479 1.655 0.243 0.386 0.917 0.417 CB 1.292 13 residues pruned to eliminate duplicates Z: 10 3.603 1.681 0.244 0.421 0.667 0.556 CB 0.935 10 residues pruned to eliminate duplicates Z: 7 4.375 1.553 0.191 0.627 0.833 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 23 7.958 1.680 0.388 0.556 0.773 0.545 CB 0.891 23 residues pruned to eliminate duplicates Z: 13 8.628 1.698 0.186 0.879 1.000 0.917 CB 0.897 13 residues pruned to eliminate duplicates Z: 14 8.219 1.669 0.262 0.649 1.000 0.692 CB 0.942 14 residues pruned to eliminate duplicates Z: 14 10.008 1.650 0.436 0.542 1.000 0.538 CB 1.124 14 residues pruned to eliminate duplicates Z: 18 9.490 1.712 0.423 0.592 0.882 0.529 CB 0.981 18 residues pruned to eliminate duplicates Z: 20 12.234 1.658 0.289 0.691 1.000 0.579 CB 1.103 20 residues pruned to eliminate duplicates Z: 18 13.151 1.705 0.477 0.740 0.941 0.588 CB 1.085 18 residues pruned to eliminate duplicates Z: 17 14.090 1.649 0.508 0.898 0.938 0.875 CB 1.080 16 residues pruned to eliminate duplicates Z: 10 8.880 1.590 0.660 0.780 0.778 0.333 N 1.127 10 residues pruned to eliminate duplicates Z: 12 9.567 1.675 0.768 0.756 0.909 0.455 CB 0.853 12 residues pruned to eliminate duplicates Z: 12 8.346 1.589 0.674 0.677 0.909 0.455 CB 0.885 12 residues pruned to eliminate duplicates Z: 9 5.593 1.576 0.624 0.724 0.875 0.500 CB 0.722 9 residues pruned to eliminate duplicates Z: 19 11.907 1.591 0.742 0.543 0.889 0.444 CB 1.092 19 residues pruned to eliminate duplicates Z: 17 8.056 1.585 0.691 0.592 0.812 0.500 CB 0.846 17 residues pruned to eliminate duplicates Z: 6 4.091 1.514 0.214 0.312 1.000 0.400 N 1.226 Z: 12 13.307 1.718 0.381 0.713 1.000 0.909 CB 1.393 13 residues pruned to eliminate duplicates Z: 10 12.361 1.820 0.176 0.789 1.000 1.000 CB 1.494 10 residues pruned to eliminate duplicates Z: 13 12.743 1.761 0.473 0.667 0.917 0.750 CB 1.326 12 residues pruned to eliminate duplicates Z: 9 12.457 1.857 0.181 0.900 1.000 1.000 CB 1.435 9 residues pruned to eliminate duplicates Z: 13 15.771 1.837 0.461 0.692 1.000 0.667 CB 1.423 14 residues pruned to eliminate duplicates Z: 12 13.628 1.674 0.539 0.842 1.000 0.818 CB 1.189 10 residues pruned to eliminate duplicates Z: 8 10.791 1.766 0.461 0.862 1.000 1.000 CB 1.161 8 residues pruned to eliminate duplicates Z: 14 10.360 1.708 0.540 0.700 0.846 0.769 CB 1.076 14 residues pruned to eliminate duplicates Z: 14 10.027 1.755 0.674 0.720 1.000 0.692 CB 0.776 14 residues pruned to eliminate duplicates Z: 13 11.791 1.779 0.456 0.747 1.000 0.833 CB 1.054 13 residues pruned to eliminate duplicates Z: 8 6.730 1.595 0.774 0.801 0.857 0.714 CB 0.806 8 residues pruned to eliminate duplicates Z: 11 6.211 1.707 0.374 0.704 0.900 0.900 CB 0.773 11 residues pruned to eliminate duplicates Z: 11 12.505 1.863 0.648 0.596 0.900 0.400 CB 1.306 10 residues pruned to eliminate duplicates Z: 12 23.522 2.015 0.636 0.885 1.000 0.818 CB 1.553 20 residues pruned to eliminate duplicates Z: 10 16.066 1.973 0.710 0.878 1.000 0.778 CB 1.152 11 residues pruned to eliminate duplicates Z: 12 22.366 1.991 0.740 0.858 1.000 0.727 CB 1.434 12 residues pruned to eliminate duplicates Z: 14 14.958 1.883 0.719 0.665 0.923 0.769 CB 1.192 14 residues pruned to eliminate duplicates Z: 19 16.501 1.811 0.872 0.656 0.944 0.611 CB 1.050 17 residues pruned to eliminate duplicates Z: 12 16.708 1.932 0.517 0.891 0.909 0.818 CB 1.359 12 residues pruned to eliminate duplicates Z: 15 15.848 1.783 0.747 0.744 0.929 0.857 CB 1.178 15 residues pruned to eliminate duplicates Z: 14 18.363 1.918 0.902 0.747 0.923 0.692 CB 1.213 14 residues pruned to eliminate duplicates Z: 9 3.492 1.181 0.999 0.340 0.625 0.375 O 0.996 Z: 12 23.529 1.997 0.855 0.866 1.000 0.818 CB 1.402 21 residues pruned to eliminate duplicates Z: 6 4.543 1.306 0.559 0.484 1.000 0.600 O 1.015 Z: 6 5.516 1.398 0.474 0.817 1.000 0.600 CB 0.909 3 residues pruned to eliminate duplicates Z: 6 3.956 1.444 0.495 0.716 1.000 0.800 CB 0.674 Z: 7 4.636 1.382 0.185 0.837 0.833 0.833 CB 1.037 6 residues pruned to eliminate duplicates Z: 7 3.828 1.426 0.272 0.878 1.000 0.833 CB 0.625 6 residues pruned to eliminate duplicates Z: 6 3.621 1.396 0.626 0.750 1.000 0.400 CB 0.571 Z: 7 4.718 1.428 0.474 0.787 1.000 0.500 CB 0.711 6 residues pruned to eliminate duplicates Z: 7 4.857 1.406 0.864 0.828 0.833 0.667 CB 0.684 7 residues pruned to eliminate duplicates Z: 12 7.355 1.395 0.658 0.794 1.000 0.727 CB 0.741 15 residues pruned to eliminate duplicates Z: 8 3.999 1.237 0.557 0.320 1.000 0.571 CB 0.958 6 residues pruned to eliminate duplicates Z: 12 12.297 1.706 0.294 0.879 0.909 0.909 N 1.339 12 residues pruned to eliminate duplicates Z: 12 6.166 1.551 0.361 0.740 0.727 0.636 CB 0.977 12 residues pruned to eliminate duplicates Z: 10 14.359 1.767 0.489 0.877 1.000 0.667 CB 1.322 10 residues pruned to eliminate duplicates Z: 13 11.314 1.618 0.557 0.729 0.917 0.583 N 1.150 13 residues pruned to eliminate duplicates Z: 13 11.915 1.677 0.310 0.836 0.917 0.833 CB 1.278 13 residues pruned to eliminate duplicates Z: 14 12.576 1.677 0.286 0.858 0.923 0.923 CB 1.291 14 residues pruned to eliminate duplicates Z: 15 13.490 1.675 0.535 0.875 0.857 0.714 CB 1.190 15 residues pruned to eliminate duplicates Z: 20 15.390 1.673 0.237 0.896 1.000 0.579 CB 1.222 19 residues pruned to eliminate duplicates Z: 21 14.332 1.591 0.373 0.878 0.950 0.800 CB 1.121 21 residues pruned to eliminate duplicates Z: 15 14.439 1.678 0.531 0.833 1.000 0.500 CB 1.127 15 residues pruned to eliminate duplicates Z: 14 7.906 1.622 0.473 0.560 0.769 0.231 CB 1.125 14 residues pruned to eliminate duplicates Z: 18 13.411 1.652 0.438 0.848 0.882 0.353 CB 1.151 18 residues pruned to eliminate duplicates Z: 17 14.129 1.587 0.699 0.894 0.938 0.625 N 1.003 17 residues pruned to eliminate duplicates Z: 18 15.332 1.686 0.572 0.878 0.882 0.471 CB 1.154 18 residues pruned to eliminate duplicates Z: 10 9.915 1.457 0.660 0.733 1.000 0.889 N 1.108 10 residues pruned to eliminate duplicates Z: 9 10.542 1.599 0.810 0.868 0.875 0.750 CB 1.075 9 residues pruned to eliminate duplicates Z: 15 13.714 1.524 0.747 0.867 1.000 0.714 CB 1.007 15 residues pruned to eliminate duplicates Z: 21 14.513 1.604 0.490 0.855 1.000 0.650 CB 1.002 21 residues pruned to eliminate duplicates Z: 19 17.352 1.603 0.679 0.907 1.000 0.667 CB 1.080 19 residues pruned to eliminate duplicates 6 1.796 1.327 0.513 0.337 0.600 0.200 CB 0.796 ? Z: 10 7.560 1.526 0.195 0.730 0.889 0.556 CB 1.265 10 residues pruned to eliminate duplicates Z: 9 7.608 1.546 0.494 0.698 0.875 0.625 CB 1.111 9 residues pruned to eliminate duplicates Z: 7 9.119 1.680 0.484 0.739 1.000 0.667 CB 1.205 7 residues pruned to eliminate duplicates Z: 10 5.526 1.492 0.632 0.481 0.778 0.556 CB 0.992 Z: 20 16.680 1.725 0.591 0.913 1.000 0.947 CB 0.987 30 residues pruned to eliminate duplicates Z: 18 10.096 1.634 0.475 0.741 0.824 0.529 CB 0.994 18 residues pruned to eliminate duplicates Z: 9 6.177 1.617 0.606 0.502 0.750 0.250 CB 1.119 9 residues pruned to eliminate duplicates Z: 8 6.089 1.669 0.413 0.693 0.857 0.714 CB 0.954 8 residues pruned to eliminate duplicates Z: 14 10.478 1.704 0.262 0.910 1.000 1.000 CB 0.959 14 residues pruned to eliminate duplicates Z: 14 9.753 1.731 0.209 0.934 1.000 0.923 CB 0.901 14 residues pruned to eliminate duplicates Z: 11 5.543 1.669 0.376 0.550 0.800 0.600 CB 0.909 11 residues pruned to eliminate duplicates Z: 17 8.434 1.577 0.327 0.605 0.938 0.625 CB 0.973 17 residues pruned to eliminate duplicates Z: 21 11.603 1.724 0.442 0.609 0.900 0.700 CB 1.045 25 residues pruned to eliminate duplicates Z: 22 16.105 1.654 0.643 0.898 1.000 0.905 CB 0.925 22 residues pruned to eliminate duplicates Z: 14 11.418 1.769 0.656 0.876 1.000 0.923 CB 0.786 14 residues pruned to eliminate duplicates Z: 14 8.806 1.715 0.511 0.899 1.000 0.923 CB 0.674 14 residues pruned to eliminate duplicates Z: 16 11.192 1.736 0.562 0.853 0.933 0.867 CB 0.844 16 residues pruned to eliminate duplicates Z: 12 9.926 1.711 0.611 0.816 0.909 0.818 CB 0.908 12 residues pruned to eliminate duplicates Z: 11 9.197 1.752 0.619 0.850 1.000 0.700 CB 0.759 11 residues pruned to eliminate duplicates Z: 6 2.762 1.529 0.480 0.621 0.800 0.600 CB 0.609 Z: 17 10.112 1.633 1.004 0.862 0.938 0.625 CB 0.605 23 residues pruned to eliminate duplicates Z: 10 4.092 1.554 0.660 0.427 0.667 0.444 CB 0.855 9 residues pruned to eliminate duplicates Z: 11 10.132 1.575 0.512 0.545 1.000 0.400 CB 1.288 15 residues pruned to eliminate duplicates Z: 9 13.250 1.777 0.589 0.571 1.000 0.500 CB 1.549 9 residues pruned to eliminate duplicates Z: 9 12.152 1.696 0.539 0.687 1.000 0.750 CA 1.386 9 residues pruned to eliminate duplicates Z: 12 8.492 1.626 0.442 0.530 1.000 0.636 CB 1.061 12 residues pruned to eliminate duplicates Z: 9 12.488 1.682 0.543 0.749 1.000 0.625 CA 1.362 9 residues pruned to eliminate duplicates Z: 11 8.065 1.699 0.331 0.541 0.900 0.700 CB 1.204 11 residues pruned to eliminate duplicates Z: 11 9.405 1.709 0.558 0.660 1.000 0.800 CB 0.962 11 residues pruned to eliminate duplicates Z: 9 7.208 1.541 0.237 0.701 1.000 0.625 CB 1.113 8 residues pruned to eliminate duplicates Z: 12 9.879 1.603 0.412 0.724 1.000 0.727 CB 1.076 12 residues pruned to eliminate duplicates Z: 10 8.963 1.545 0.563 0.837 0.778 0.778 CB 1.190 10 residues pruned to eliminate duplicates Z: 10 9.612 1.659 0.471 0.646 1.000 0.444 CB 1.145 10 residues pruned to eliminate duplicates Z: 9 5.879 1.521 0.890 0.493 0.750 0.250 N 0.971 9 residues pruned to eliminate duplicates Z: 11 6.248 1.574 0.666 0.587 0.700 0.500 N 0.990 11 residues pruned to eliminate duplicates Z: 13 6.846 1.558 0.623 0.570 0.667 0.333 N 1.096 13 residues pruned to eliminate duplicates Z: 11 9.361 1.559 0.602 0.594 0.900 0.400 N 1.204 11 residues pruned to eliminate duplicates Z: 12 5.888 1.543 0.659 0.798 0.818 0.455 CB 0.653 12 residues pruned to eliminate duplicates Z: 9 9.284 1.704 0.744 0.852 0.875 0.375 CB 0.934 9 residues pruned to eliminate duplicates Z: 22 10.402 1.513 0.602 0.582 0.905 0.476 CB 0.957 24 residues pruned to eliminate duplicates Z: 13 11.659 1.553 0.625 0.818 1.000 0.583 CB 1.011 13 residues pruned to eliminate duplicates Z: 9 7.017 1.532 0.575 0.828 1.000 0.625 CB 0.774 9 residues pruned to eliminate duplicates Z: 9 5.058 1.544 0.305 0.608 0.875 0.750 CB 0.915 9 residues pruned to eliminate duplicates Z: 15 12.929 1.738 0.365 0.765 1.000 0.643 CB 1.151 15 residues pruned to eliminate duplicates Z: 17 18.392 1.741 0.710 0.812 1.000 0.750 CB 1.177 17 residues pruned to eliminate duplicates Z: 8 4.604 1.561 0.530 0.500 0.571 0.143 N 1.275 8 residues pruned to eliminate duplicates Z: 17 17.234 1.700 0.701 0.761 0.938 0.625 CB 1.260 17 residues pruned to eliminate duplicates Z: 17 19.361 1.708 0.781 0.812 0.938 0.750 CB 1.294 17 residues pruned to eliminate duplicates Z: 17 17.151 1.737 0.680 0.857 0.938 0.688 CB 1.155 17 residues pruned to eliminate duplicates Z: 13 16.328 1.711 0.745 0.757 1.000 0.833 CB 1.256 13 residues pruned to eliminate duplicates Z: 13 8.557 1.721 0.732 0.424 0.833 0.417 CB 1.075 13 residues pruned to eliminate duplicates Z: 8 8.998 1.931 0.559 0.572 0.857 0.714 CB 1.230 8 residues pruned to eliminate duplicates Z: 17 19.954 1.737 0.755 0.827 1.000 0.625 CB 1.233 17 residues pruned to eliminate duplicates Z: 16 17.171 1.711 0.784 0.766 0.867 0.533 CB 1.324 16 residues pruned to eliminate duplicates Z: 17 22.470 1.751 0.867 0.846 1.000 0.812 CB 1.276 17 residues pruned to eliminate duplicates Z: 17 15.972 1.683 0.683 0.766 0.938 0.750 CB 1.187 17 residues pruned to eliminate duplicates Z: 18 18.730 1.745 0.865 0.885 0.882 0.706 CB 1.142 18 residues pruned to eliminate duplicates Z: 20 17.356 1.756 0.560 0.895 1.000 0.789 CB 1.042 20 residues pruned to eliminate duplicates Z: 16 18.375 1.731 0.809 0.897 1.000 0.800 CB 1.084 16 residues pruned to eliminate duplicates Z: 20 20.083 1.744 0.871 0.906 1.000 0.737 CB 1.004 20 residues pruned to eliminate duplicates Z: 6 2.455 1.473 0.429 0.481 0.800 0.600 CB 0.664 6 residues pruned to eliminate duplicates Z: 6 5.528 1.645 0.279 0.817 0.800 0.600 CB 1.115 5 residues pruned to eliminate duplicates Z: 7 7.235 1.549 0.588 0.807 1.000 0.833 CB 0.919 7 residues pruned to eliminate duplicates Z: 24 13.969 1.634 0.744 0.800 0.913 0.522 CB 0.861 25 residues pruned to eliminate duplicates Z: 8 5.393 1.603 0.202 0.664 1.000 0.571 CB 0.909 7 residues pruned to eliminate duplicates Z: 8 7.887 1.657 0.380 0.907 1.000 1.000 CB 0.927 8 residues pruned to eliminate duplicates Z: 7 6.004 1.650 0.464 0.706 1.000 0.667 CB 0.841 7 residues pruned to eliminate duplicates Z: 12 6.146 1.680 0.289 0.661 0.818 0.636 CB 0.901 12 residues pruned to eliminate duplicates Z: 8 7.975 1.713 0.452 0.876 1.000 1.000 CB 0.881 8 residues pruned to eliminate duplicates Z: 11 8.076 1.683 0.490 0.753 0.900 0.700 CB 0.903 10 residues pruned to eliminate duplicates Z: 10 10.260 1.641 0.613 0.862 0.889 0.556 CB 1.067 10 residues pruned to eliminate duplicates Z: 14 8.390 1.548 0.537 0.675 0.846 0.615 CB 0.984 14 residues pruned to eliminate duplicates Z: 12 11.444 1.658 0.502 0.780 1.000 0.727 CB 1.083 12 residues pruned to eliminate duplicates Z: 12 9.625 1.536 0.644 0.696 1.000 0.545 CB 0.961 10 residues pruned to eliminate duplicates Z: 11 9.319 1.615 0.263 0.682 1.000 0.600 CB 1.222 11 residues pruned to eliminate duplicates Z: 12 8.423 1.639 0.444 0.583 0.909 0.545 CB 1.090 12 residues pruned to eliminate duplicates Z: 12 7.675 1.581 0.180 0.788 1.000 0.909 CB 0.963 12 residues pruned to eliminate duplicates Z: 13 6.666 1.607 0.231 0.626 0.833 0.583 CB 1.036 13 residues pruned to eliminate duplicates Z: 6 6.897 1.702 0.360 0.823 1.000 0.800 CB 1.007 6 residues pruned to eliminate duplicates Z: 17 18.611 1.776 0.898 0.704 0.938 0.625 CB 1.223 17 residues pruned to eliminate duplicates Z: 7 5.896 1.695 0.521 0.625 0.833 0.667 CB 0.996 7 residues pruned to eliminate duplicates Z: 26 15.501 1.769 0.684 0.549 0.880 0.600 CB 1.127 27 residues pruned to eliminate duplicates Z: 13 19.859 1.758 1.017 0.871 0.917 0.667 CB 1.286 18 residues pruned to eliminate duplicates Z: 12 21.038 1.822 1.113 0.836 1.000 0.727 CB 1.233 12 residues pruned to eliminate duplicates Z: 25 19.248 1.851 0.771 0.594 0.958 0.625 CB 1.143 21 residues pruned to eliminate duplicates Z: 14 19.469 1.699 1.012 0.807 1.000 0.692 CB 1.208 14 residues pruned to eliminate duplicates Z: 18 18.545 1.886 0.676 0.663 0.941 0.588 CB 1.300 18 residues pruned to eliminate duplicates Z: 18 15.890 1.772 0.717 0.589 0.824 0.529 CB 1.413 18 residues pruned to eliminate duplicates Z: 17 12.989 1.838 0.725 0.563 0.812 0.562 CB 1.186 18 residues pruned to eliminate duplicates Z: 13 21.223 1.914 0.592 0.871 1.000 0.833 CB 1.467 13 residues pruned to eliminate duplicates Z: 20 17.060 1.860 0.534 0.644 0.895 0.684 CB 1.340 20 residues pruned to eliminate duplicates Z: 23 16.621 1.905 0.585 0.575 0.909 0.591 CB 1.202 23 residues pruned to eliminate duplicates Z: 13 19.882 1.856 0.732 0.796 1.000 0.667 CB 1.377 13 residues pruned to eliminate duplicates Z: 25 15.944 1.867 0.582 0.598 0.875 0.583 CB 1.147 25 residues pruned to eliminate duplicates Z: 23 13.695 1.876 0.464 0.550 0.864 0.545 CB 1.173 23 residues pruned to eliminate duplicates Z: 25 16.914 1.810 0.772 0.558 0.917 0.667 CB 1.110 25 residues pruned to eliminate duplicates Z: 6 2.785 1.395 0.430 0.478 1.000 0.400 CB 0.639 6 residues pruned to eliminate duplicates Z: 21 18.035 1.932 0.515 0.633 0.850 0.550 CB 1.431 21 residues pruned to eliminate duplicates Z: 10 14.597 1.784 0.556 0.833 1.000 0.556 CB 1.315 22 residues pruned to eliminate duplicates Z: 12 13.494 1.693 0.585 0.861 0.909 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 13 10.198 1.658 0.311 0.673 0.917 0.583 CB 1.260 13 residues pruned to eliminate duplicates Z: 18 11.384 1.653 0.434 0.656 0.882 0.706 CB 1.142 18 residues pruned to eliminate duplicates Z: 9 12.395 1.831 0.666 0.805 0.875 0.750 CB 1.258 9 residues pruned to eliminate duplicates Z: 9 11.512 1.802 0.653 0.771 1.000 0.750 CB 1.075 Z: 12 14.973 1.636 0.630 0.776 1.000 0.455 CB 1.326 21 residues pruned to eliminate duplicates Z: 13 8.938 1.626 0.557 0.560 0.750 0.417 N 1.282 Z: 10 16.455 1.827 0.492 0.889 1.000 0.778 CB 1.449 23 residues pruned to eliminate duplicates Z: 11 9.886 1.705 0.497 0.608 0.800 0.500 CB 1.382 Z: 12 16.022 1.775 0.529 0.802 1.000 0.818 CB 1.367 23 residues pruned to eliminate duplicates Z: 6 2.276 1.415 0.318 0.251 0.600 0.400 C 1.212 Z: 8 4.259 1.434 0.347 0.752 0.714 0.571 O 0.932 6 residues pruned to eliminate duplicates Z: 7 3.119 1.487 0.691 0.546 0.500 0.167 O 0.968 7 residues pruned to eliminate duplicates Z: 6 2.578 1.506 0.097 0.697 0.800 0.600 O 0.728 6 residues pruned to eliminate duplicates Z: 8 6.942 1.571 0.421 0.614 0.857 0.571 O 1.230 8 residues pruned to eliminate duplicates Z: 16 8.897 1.545 0.340 0.500 0.867 0.533 CB 1.280 24 residues pruned to eliminate duplicates Z: 8 8.381 1.477 0.565 0.844 0.857 0.714 N 1.189 8 residues pruned to eliminate duplicates Z: 9 6.408 1.464 0.521 0.699 0.875 0.500 CB 0.970 9 residues pruned to eliminate duplicates Z: 14 10.457 1.585 0.398 0.820 1.000 0.846 CB 0.992 14 residues pruned to eliminate duplicates Z: 13 5.123 1.574 0.674 0.411 0.583 0.500 N 1.057 13 residues pruned to eliminate duplicates Z: 13 13.163 1.604 0.589 0.825 1.000 0.917 CB 1.125 13 residues pruned to eliminate duplicates Z: 8 4.146 1.542 0.504 0.496 0.714 0.429 CB 0.950 8 residues pruned to eliminate duplicates Z: 13 10.057 1.618 0.421 0.765 1.000 0.750 CB 0.998 13 residues pruned to eliminate duplicates Z: 14 11.606 1.643 0.361 0.745 1.000 0.769 CB 1.157 14 residues pruned to eliminate duplicates Z: 14 14.690 1.631 0.534 0.779 1.000 0.615 CB 1.273 14 residues pruned to eliminate duplicates Z: 13 7.160 1.563 0.300 0.669 0.833 0.583 CB 1.045 13 residues pruned to eliminate duplicates Z: 11 11.683 1.597 0.695 0.764 1.000 0.500 CB 1.080 11 residues pruned to eliminate duplicates Z: 12 8.912 1.517 0.849 0.702 0.909 0.455 CB 0.877 12 residues pruned to eliminate duplicates Z: 6 4.864 1.630 0.207 0.665 1.000 0.600 CB 0.949 6 residues pruned to eliminate duplicates Z: 15 10.815 1.565 0.751 0.664 0.857 0.500 CB 1.057 15 residues pruned to eliminate duplicates Z: 12 5.916 1.502 0.663 0.689 0.909 0.364 CB 0.661 12 residues pruned to eliminate duplicates Z: 11 5.335 1.560 0.416 0.516 0.700 0.200 CB 1.074 11 residues pruned to eliminate duplicates Z: 11 13.020 1.718 0.714 0.662 1.000 0.500 CB 1.203 9 residues pruned to eliminate duplicates Z: 8 12.506 1.721 0.479 0.901 1.000 1.000 CB 1.325 8 residues pruned to eliminate duplicates Z: 11 10.375 1.693 0.569 0.697 0.900 0.600 CB 1.146 11 residues pruned to eliminate duplicates Z: 8 8.834 1.698 0.269 0.727 1.000 1.000 CB 1.263 8 residues pruned to eliminate duplicates Z: 10 5.680 1.522 0.572 0.374 0.778 0.778 CB 1.164 10 residues pruned to eliminate duplicates Z: 10 7.995 1.723 0.431 0.568 0.778 0.444 CB 1.302 10 residues pruned to eliminate duplicates Z: 14 8.994 1.526 0.576 0.622 0.923 0.538 CB 1.001 14 residues pruned to eliminate duplicates Z: 10 11.611 1.659 0.631 0.770 1.000 0.889 CB 1.126 10 residues pruned to eliminate duplicates Z: 9 10.940 1.575 0.720 0.840 1.000 0.750 CB 1.066 9 residues pruned to eliminate duplicates Z: 12 10.117 1.671 0.473 0.574 0.818 0.455 N 1.411 7 residues pruned to eliminate duplicates Z: 10 11.051 1.819 0.387 0.508 1.000 0.444 CB 1.449 10 residues pruned to eliminate duplicates Z: 8 11.553 1.797 0.638 0.713 0.857 0.857 CB 1.427 8 residues pruned to eliminate duplicates Z: 7 9.871 1.919 0.474 0.617 0.833 0.500 CA 1.530 7 residues pruned to eliminate duplicates Z: 18 9.842 1.767 0.371 0.498 0.824 0.647 CB 1.199 18 residues pruned to eliminate duplicates Z: 19 15.371 1.856 0.576 0.553 0.944 0.556 CB 1.246 20 residues pruned to eliminate duplicates Z: 16 19.443 1.869 0.712 0.570 1.000 0.533 CB 1.466 19 residues pruned to eliminate duplicates Z: 19 16.504 1.864 0.611 0.634 0.889 0.611 CB 1.285 19 residues pruned to eliminate duplicates Z: 18 14.305 1.835 0.532 0.592 0.941 0.647 CB 1.200 18 residues pruned to eliminate duplicates Z: 19 13.418 1.859 0.571 0.602 0.778 0.556 CB 1.263 19 residues pruned to eliminate duplicates Z: 21 14.384 1.812 0.456 0.570 0.900 0.500 CB 1.266 21 residues pruned to eliminate duplicates Z: 17 15.312 1.865 0.412 0.599 0.938 0.625 CB 1.410 17 residues pruned to eliminate duplicates Z: 22 10.180 1.714 0.500 0.395 0.857 0.286 CB 1.127 22 residues pruned to eliminate duplicates Z: 11 5.137 1.666 0.352 0.305 0.800 0.200 CB 1.120 11 residues pruned to eliminate duplicates Z: 20 16.951 1.790 0.670 0.590 0.947 0.632 CB 1.260 18 residues pruned to eliminate duplicates Z: 8 4.457 1.490 0.109 0.499 0.857 0.571 N 1.190 8 residues pruned to eliminate duplicates Z: 9 5.478 1.613 0.145 0.455 0.875 0.500 N 1.256 Z: 6 4.006 1.439 0.174 0.817 1.000 0.800 CB 0.806 6 residues pruned to eliminate duplicates Z: 11 17.284 1.832 0.746 0.758 1.000 0.700 CB 1.359 12 residues pruned to eliminate duplicates Z: 10 9.649 1.586 0.701 0.754 0.778 0.556 CB 1.222 10 residues pruned to eliminate duplicates Z: 11 13.585 1.839 0.475 0.716 1.000 0.800 CB 1.302 11 residues pruned to eliminate duplicates Z: 12 16.359 1.802 0.446 0.871 1.000 0.818 CB 1.380 12 residues pruned to eliminate duplicates Z: 12 14.966 1.730 0.479 0.863 1.000 0.818 CB 1.293 12 residues pruned to eliminate duplicates Z: 11 17.622 1.814 0.777 0.803 0.900 0.700 CB 1.474 12 residues pruned to eliminate duplicates Z: 12 13.743 1.802 0.643 0.823 0.818 0.727 CB 1.293 12 residues pruned to eliminate duplicates Z: 8 3.380 1.712 0.049 0.481 0.857 0.429 CB 0.846 Z: 12 13.048 1.728 0.731 0.740 0.818 0.455 CB 1.297 20 residues pruned to eliminate duplicates Z: 20 10.684 1.613 0.576 0.575 0.842 0.579 CB 1.066 20 residues pruned to eliminate duplicates Z: 23 12.841 1.677 0.728 0.489 0.909 0.727 CB 1.050 14 residues pruned to eliminate duplicates Z: 14 6.163 1.403 0.376 0.566 0.846 0.615 N 0.982 14 residues pruned to eliminate duplicates Z: 9 7.635 1.503 0.880 0.554 0.875 0.375 CB 1.036 Z: 10 13.535 1.778 0.504 0.843 0.889 0.778 CA 1.413 10 residues pruned to eliminate duplicates Z: 10 10.734 1.746 0.510 0.659 0.889 0.667 N 1.318 10 residues pruned to eliminate duplicates Z: 20 13.763 1.828 0.511 0.564 0.842 0.474 CB 1.275 20 residues pruned to eliminate duplicates Z: 21 12.945 1.788 0.471 0.649 0.900 0.600 CB 1.064 21 residues pruned to eliminate duplicates Z: 13 11.424 1.837 0.437 0.711 0.833 0.667 CB 1.238 13 residues pruned to eliminate duplicates Z: 18 11.377 1.806 0.297 0.519 0.882 0.529 CB 1.310 18 residues pruned to eliminate duplicates Z: 13 13.241 1.955 0.403 0.604 0.917 0.750 CB 1.377 14 residues pruned to eliminate duplicates Z: 11 15.074 1.856 0.424 0.866 0.900 0.800 CB 1.467 11 residues pruned to eliminate duplicates Z: 11 17.692 1.840 0.575 0.869 0.900 0.700 CA 1.567 11 residues pruned to eliminate duplicates Z: 7 5.245 1.525 0.354 0.535 0.833 0.500 N 1.203 Z: 9 7.877 1.516 0.518 0.889 1.000 0.875 CB 0.871 9 residues pruned to eliminate duplicates Z: 10 9.299 1.481 0.694 0.873 1.000 0.889 CB 0.900 10 residues pruned to eliminate duplicates Z: 12 8.841 1.417 0.694 0.839 1.000 0.818 CB 0.829 12 residues pruned to eliminate duplicates Z: 13 4.552 1.504 0.344 0.578 0.750 0.583 CB 0.804 13 residues pruned to eliminate duplicates Z: 17 6.894 1.481 0.321 0.492 0.938 0.562 CB 0.947 17 residues pruned to eliminate duplicates Z: 14 9.324 1.542 0.436 0.628 1.000 0.692 CB 1.035 14 residues pruned to eliminate duplicates Z: 12 9.171 1.522 0.698 0.679 0.909 0.727 CB 0.999 13 residues pruned to eliminate duplicates Z: 12 9.626 1.587 0.478 0.745 0.818 0.636 CB 1.215 12 residues pruned to eliminate duplicates Z: 18 9.213 1.578 0.265 0.453 0.882 0.588 CB 1.330 19 residues pruned to eliminate duplicates Z: 9 8.117 1.610 0.130 0.879 0.875 0.875 O 1.308 9 residues pruned to eliminate duplicates Z: 13 8.467 1.640 0.026 0.659 0.917 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 12 8.227 1.668 0.031 0.680 0.909 0.727 CA 1.344 12 residues pruned to eliminate duplicates Z: 10 10.806 1.756 0.118 0.807 1.000 0.667 CB 1.403 10 residues pruned to eliminate duplicates Z: 17 7.143 1.486 0.031 0.584 0.938 0.500 CB 1.148 17 residues pruned to eliminate duplicates Z: 13 11.099 1.650 0.166 0.766 0.917 0.667 N 1.435 13 residues pruned to eliminate duplicates Z: 12 7.960 1.543 -0.015 0.693 1.000 0.545 CA 1.324 12 residues pruned to eliminate duplicates Z: 17 9.283 1.652 0.123 0.634 0.875 0.438 CB 1.261 17 residues pruned to eliminate duplicates Z: 15 8.447 1.647 0.235 0.596 0.857 0.429 CB 1.181 15 residues pruned to eliminate duplicates Z: 15 9.807 1.698 0.175 0.642 0.857 0.500 CB 1.342 15 residues pruned to eliminate duplicates Z: 9 3.952 1.471 0.308 0.499 0.750 0.500 N 0.969 9 residues pruned to eliminate duplicates Z: 6 6.097 1.600 0.635 0.687 0.800 0.600 N 1.097 6 residues pruned to eliminate duplicates Z: 6 5.162 1.545 0.453 0.789 1.000 0.600 N 0.798 6 residues pruned to eliminate duplicates Z: 9 7.882 1.503 0.594 0.838 0.875 0.500 N 0.993 7 residues pruned to eliminate duplicates Z: 24 9.979 1.463 0.499 0.821 0.957 0.739 CB 0.750 25 residues pruned to eliminate duplicates Z: 8 9.128 1.493 0.642 0.895 1.000 0.857 CB 1.009 8 residues pruned to eliminate duplicates Z: 9 9.333 1.489 0.599 0.846 1.000 0.625 CB 1.030 9 residues pruned to eliminate duplicates Z: 13 10.960 1.587 0.494 0.857 1.000 0.750 CB 0.984 14 residues pruned to eliminate duplicates Z: 8 11.497 1.547 0.982 0.905 1.000 0.714 CB 1.009 8 residues pruned to eliminate duplicates Z: 13 6.737 1.355 0.774 0.546 1.000 0.750 CB 0.774 13 residues pruned to eliminate duplicates Z: 15 8.458 1.547 0.591 0.788 1.000 0.714 CB 0.713 15 residues pruned to eliminate duplicates Z: 9 6.591 1.582 0.613 0.832 0.875 0.625 CB 0.783 9 residues pruned to eliminate duplicates Z: 14 9.316 1.651 0.566 0.729 0.769 0.692 CB 1.057 12 residues pruned to eliminate duplicates Z: 12 7.022 1.547 0.396 0.795 1.000 0.545 CB 0.757 13 residues pruned to eliminate duplicates Z: 15 8.795 1.511 0.468 0.824 1.000 0.429 CB 0.800 15 residues pruned to eliminate duplicates Z: 10 5.967 1.584 0.508 0.795 0.778 0.444 CB 0.827 10 residues pruned to eliminate duplicates Z: 7 7.607 1.691 0.316 0.703 1.000 0.667 CB 1.159 7 residues pruned to eliminate duplicates Z: 11 8.809 1.586 0.706 0.847 0.900 0.900 CB 0.850 12 residues pruned to eliminate duplicates Z: 13 8.356 1.597 0.461 0.875 0.917 0.667 CB 0.821 12 residues pruned to eliminate duplicates Z: 10 7.153 1.590 0.573 0.825 0.889 0.778 CB 0.809 10 residues pruned to eliminate duplicates Z: 12 4.757 1.420 0.519 0.574 0.727 0.364 CB 0.851 10 residues pruned to eliminate duplicates Z: 16 22.368 1.725 0.938 0.718 1.000 0.533 N 1.419 16 residues pruned to eliminate duplicates Z: 14 16.392 1.861 0.431 0.823 0.923 0.769 CB 1.398 14 residues pruned to eliminate duplicates Z: 14 13.777 1.768 0.425 0.648 1.000 0.846 CB 1.321 17 residues pruned to eliminate duplicates Z: 13 14.588 1.777 0.426 0.807 0.917 0.583 CB 1.388 13 residues pruned to eliminate duplicates Z: 30 14.502 1.593 0.513 0.622 0.897 0.552 CB 1.110 23 residues pruned to eliminate duplicates Z: 12 19.609 1.881 0.750 0.887 0.909 0.636 CB 1.425 12 residues pruned to eliminate duplicates Z: 25 12.967 1.754 0.246 0.587 0.917 0.583 CB 1.216 25 residues pruned to eliminate duplicates Z: 27 18.878 1.725 0.607 0.572 0.962 0.462 CB 1.296 30 residues pruned to eliminate duplicates Z: 14 20.787 1.792 0.574 0.873 1.000 0.769 CB 1.488 14 residues pruned to eliminate duplicates Z: 28 14.299 1.740 0.360 0.560 0.889 0.630 CB 1.233 28 residues pruned to eliminate duplicates Z: 17 16.532 1.723 0.839 0.698 0.938 0.812 CB 1.161 17 residues pruned to eliminate duplicates Z: 11 4.137 1.562 0.584 0.335 0.700 0.400 CB 0.904 5 residues pruned to eliminate duplicates Z: 6 7.399 1.515 0.320 0.859 1.000 1.000 N 1.217 6 residues pruned to eliminate duplicates Z: 8 7.540 1.585 0.555 0.580 1.000 0.714 N 1.070 10 residues pruned to eliminate duplicates Z: 12 14.323 1.875 0.550 0.704 0.909 0.636 CB 1.358 12 residues pruned to eliminate duplicates Z: 27 11.891 1.720 0.497 0.474 0.808 0.423 CB 1.152 40 residues pruned to eliminate duplicates Z: 10 16.865 1.871 0.477 0.880 1.000 0.667 CB 1.474 Z: 11 14.843 1.848 0.242 0.855 1.000 0.800 CB 1.510 11 residues pruned to eliminate duplicates Z: 16 13.234 1.888 0.404 0.616 0.933 0.667 CB 1.238 10 residues pruned to eliminate duplicates Z: 10 16.643 1.954 0.489 0.859 1.000 0.889 CB 1.403 10 residues pruned to eliminate duplicates Z: 16 15.114 1.895 0.466 0.621 0.933 0.733 CB 1.343 16 residues pruned to eliminate duplicates Z: 16 14.442 1.857 0.449 0.622 0.933 0.667 CB 1.323 16 residues pruned to eliminate duplicates Z: 11 20.406 1.916 0.523 0.906 1.000 1.000 CB 1.573 11 residues pruned to eliminate duplicates Z: 14 15.578 1.790 0.435 0.747 1.000 0.769 N 1.348 14 residues pruned to eliminate duplicates Z: 14 17.201 1.941 0.646 0.672 0.923 0.769 CB 1.379 14 residues pruned to eliminate duplicates Z: 16 14.226 1.896 0.457 0.624 1.000 0.733 CB 1.183 16 residues pruned to eliminate duplicates Z: 15 11.658 1.785 0.391 0.774 1.000 0.786 CB 0.985 17 residues pruned to eliminate duplicates Z: 13 16.967 1.816 0.585 0.883 1.000 0.833 CB 1.230 13 residues pruned to eliminate duplicates Z: 13 17.353 1.836 0.497 0.915 0.917 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 13 15.733 1.809 0.609 0.910 1.000 0.917 CB 1.107 14 residues pruned to eliminate duplicates Z: 12 13.953 1.838 0.597 0.890 1.000 0.909 CB 1.031 12 residues pruned to eliminate duplicates Z: 15 14.290 1.761 0.399 0.854 1.000 0.929 CB 1.145 15 residues pruned to eliminate duplicates Z: 13 16.732 1.794 0.912 0.897 1.000 0.833 CB 1.008 13 residues pruned to eliminate duplicates Z: 12 15.355 1.853 0.463 0.927 1.000 1.000 CB 1.197 12 residues pruned to eliminate duplicates Z: 16 12.117 1.703 0.659 0.771 0.933 0.667 CB 0.933 16 residues pruned to eliminate duplicates Z: 13 13.624 1.791 0.610 0.897 1.000 0.833 CB 0.976 13 residues pruned to eliminate duplicates Z: 13 20.130 1.821 0.610 0.915 1.000 0.667 CB 1.401 12 residues pruned to eliminate duplicates Z: 12 12.934 1.784 0.439 0.885 0.909 0.545 CB 1.206 12 residues pruned to eliminate duplicates Z: 13 14.461 1.895 0.657 0.826 0.917 0.583 CB 1.094 13 residues pruned to eliminate duplicates Z: 12 18.137 1.810 0.679 0.893 1.000 0.818 CB 1.291 11 residues pruned to eliminate duplicates Z: 12 18.290 1.887 0.582 0.882 1.000 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 10 17.681 1.902 0.793 0.766 1.000 0.556 CB 1.365 10 residues pruned to eliminate duplicates Z: 16 13.675 1.862 0.475 0.696 0.867 0.667 CB 1.240 16 residues pruned to eliminate duplicates Z: 21 13.788 1.793 0.675 0.639 0.900 0.650 CB 1.002 21 residues pruned to eliminate duplicates Z: 22 16.125 1.812 0.510 0.663 0.952 0.619 CB 1.161 22 residues pruned to eliminate duplicates Z: 14 15.358 1.878 0.513 0.739 0.923 0.615 CB 1.311 14 residues pruned to eliminate duplicates Z: 17 15.839 1.848 0.649 0.683 0.938 0.625 CB 1.172 17 residues pruned to eliminate duplicates Z: 20 16.171 1.883 0.547 0.693 0.895 0.632 CB 1.193 20 residues pruned to eliminate duplicates Z: 20 13.695 1.827 0.460 0.604 0.947 0.684 CB 1.126 20 residues pruned to eliminate duplicates Z: 15 14.707 1.903 0.558 0.767 0.929 0.643 CB 1.127 15 residues pruned to eliminate duplicates Z: 25 16.131 1.820 0.650 0.608 0.917 0.542 CB 1.080 25 residues pruned to eliminate duplicates Z: 22 16.488 1.857 0.614 0.679 0.952 0.714 CB 1.069 22 residues pruned to eliminate duplicates Z: 11 6.567 1.760 0.442 0.582 0.800 0.600 CB 0.945 11 residues pruned to eliminate duplicates Z: 22 16.312 1.836 0.619 0.717 0.905 0.714 CB 1.088 22 residues pruned to eliminate duplicates Z: 11 4.837 1.803 0.505 0.427 0.700 0.600 CB 0.869 11 residues pruned to eliminate duplicates Z: 20 15.820 1.857 0.663 0.728 0.895 0.632 CB 1.070 20 residues pruned to eliminate duplicates Z: 12 6.840 1.684 0.564 0.603 0.818 0.455 CB 0.867 10 residues pruned to eliminate duplicates 908 residues left after pruning, divided into chains as follows: A: 29 B: 9 C: 8 D: 6 E: 11 F: 17 G: 7 H: 13 I: 7 J: 6 K: 11 L: 6 M: 12 N: 21 O: 21 P: 11 Q: 28 R: 11 S: 14 T: 19 U: 26 V: 23 W: 12 X: 16 Y: 20 Z: 12 Z: 37 Z: 22 Z: 31 Z: 15 Z: 9 Z: 14 Z: 21 Z: 27 Z: 27 Z: 12 Z: 11 Z: 25 Z: 30 Z: 30 Z: 11 Z: 21 Z: 10 Z: 7 Z: 9 Z: 25 Z: 25 Z: 28 Z: 8 Z: 13 Z: 16 Z: 30 Z: 18 CC for partial structure against native data = 29.67 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.417, Connect. = 0.656 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.681 for dens.mod. cycle 2 = 0.300, Contrast = 0.553, Connect. = 0.713 for dens.mod. cycle 3 = 0.300, Contrast = 0.560, Connect. = 0.717 for dens.mod. cycle 4 = 0.300, Contrast = 0.568, Connect. = 0.721 for dens.mod. cycle 5 = 0.300, Contrast = 0.573, Connect. = 0.724 for dens.mod. cycle 6 = 0.300, Contrast = 0.578, Connect. = 0.727 for dens.mod. cycle 7 = 0.300, Contrast = 0.580, Connect. = 0.729 for dens.mod. cycle 8 = 0.300, Contrast = 0.582, Connect. = 0.731 for dens.mod. cycle 9 = 0.300, Contrast = 0.582, Connect. = 0.732 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.71 - 4.50 - 3.92 - 3.55 - 3.29 - 3.10 - 2.94 - 2.81 - 2.70 - 2.60 0.632 0.690 0.683 0.687 0.663 0.664 0.656 0.637 0.591 0.561 0.759 0.836 0.827 0.844 0.820 0.832 0.834 0.815 0.775 0.737 N 5259 5291 5257 5338 5341 5089 5385 5281 5290 5047 Estimated mean FOM = 0.647 Pseudo-free CC = 66.83 % Best trace (cycle 2 with CC 33.78%) was saved as ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.5 - Setup, data input and phasing 7.4 - FFTs and peak-searches 21.7 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1075.8 - Tripeptide search 6416.5 - Chain tracing 0.0 - NCS analysis 94.1 - B-value refinement for trace 0.6 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 03:18:32 Total time: 7617.33 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 127.8 Used memory is bytes: 81625896